data_25446 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25446 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 25446 _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 GLN N N 2 123.771 123.771 122.619 1.152 25446 2 1 1 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.477 -0.347 25446 3 1 1 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.386 2.163 25446 4 1 1 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.131 0.031 25446 5 1 1 . 1 1 2 2 GLN H H 2 9.634 9.634 8.483 1.151 25446 6 1 1 . 1 1 3 3 HIS N N 3 119.013 119.013 115.967 3.046 25446 7 1 1 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.168 1.016 25446 8 1 1 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.585 -1.582 25446 9 1 1 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.686 3.402 25446 10 1 1 . 1 1 3 3 HIS H H 3 9.946 9.946 8.559 1.387 25446 11 1 1 . 1 1 4 4 ALA N N 4 122.550 122.550 120.842 1.708 25446 12 1 1 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.974 -0.083 25446 13 1 1 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.862 1.698 25446 14 1 1 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.916 -0.124 25446 15 1 1 . 1 1 4 4 ALA H H 4 7.524 7.524 8.386 -0.862 25446 16 1 1 . 1 1 5 5 SER N N 5 112.310 112.310 112.832 -0.522 25446 17 1 1 . 1 1 5 5 SER HA H 5 4.295 4.295 4.184 0.111 25446 18 1 1 . 1 1 5 5 SER CA C 5 62.089 62.089 60.987 1.102 25446 19 1 1 . 1 1 5 5 SER CB C 5 62.421 62.421 62.626 -0.205 25446 20 1 1 . 1 1 5 5 SER H H 5 8.772 8.772 8.073 0.699 25446 21 1 1 . 1 1 6 6 VAL N N 6 122.625 122.625 122.781 -0.156 25446 22 1 1 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.828 0.283 25446 23 1 1 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.435 -0.727 25446 24 1 1 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.500 1.240 25446 25 1 1 . 1 1 6 6 VAL H H 6 7.657 7.657 7.518 0.139 25446 26 1 1 . 1 1 7 7 ILE N N 7 121.536 121.536 120.801 0.735 25446 27 1 1 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.621 0.605 25446 28 1 1 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.978 -0.685 25446 29 1 1 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.227 1.404 25446 30 1 1 . 1 1 7 7 ILE H H 7 8.526 8.526 7.454 1.072 25446 31 1 1 . 1 1 8 8 ALA N N 8 121.229 121.229 121.267 -0.038 25446 32 1 1 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.020 -0.124 25446 33 1 1 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.478 0.764 25446 34 1 1 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.041 0.690 25446 35 1 1 . 1 1 8 8 ALA H H 8 8.946 8.946 7.832 1.114 25446 36 1 1 . 1 1 9 9 GLN N N 9 114.998 114.998 119.458 -4.460 25446 37 1 1 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.084 -0.211 25446 38 1 1 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.139 -0.180 25446 39 1 1 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.810 -0.997 25446 40 1 1 . 1 1 9 9 GLN H H 9 7.731 7.731 8.254 -0.523 25446 41 1 1 . 1 1 10 10 PHE N N 10 120.075 120.075 121.052 -0.977 25446 42 1 1 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.214 -0.136 25446 43 1 1 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.834 -0.981 25446 44 1 1 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.542 -0.719 25446 45 1 1 . 1 1 10 10 PHE H H 10 7.299 7.299 8.742 -1.443 25446 46 1 1 . 1 1 11 11 VAL N N 11 117.458 117.458 116.863 0.595 25446 47 1 1 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.942 -0.635 25446 48 1 1 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.820 0.623 25446 49 1 1 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.008 -0.320 25446 50 1 1 . 1 1 11 11 VAL H H 11 8.363 8.363 8.276 0.087 25446 51 1 1 . 1 1 12 12 VAL N N 12 117.722 117.722 120.964 -3.242 25446 52 1 1 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.923 -0.176 25446 53 1 1 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.275 -1.356 25446 54 1 1 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.110 0.157 25446 55 1 1 . 1 1 12 12 VAL H H 12 8.289 8.289 8.784 -0.495 25446 56 1 1 . 1 1 13 13 GLU N N 13 117.827 117.827 119.110 -1.283 25446 57 1 1 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.980 -0.238 25446 58 1 1 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.063 0.130 25446 59 1 1 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.579 -0.085 25446 60 1 1 . 1 1 13 13 GLU H H 13 7.758 7.758 7.928 -0.170 25446 61 1 1 . 1 1 14 14 GLU N N 14 113.425 113.425 117.207 -3.782 25446 62 1 1 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.902 -0.130 25446 63 1 1 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.218 -1.611 25446 64 1 1 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.101 0.398 25446 65 1 1 . 1 1 14 14 GLU H H 14 7.604 7.604 7.638 -0.034 25446 66 1 1 . 1 1 15 15 PHE N N 15 114.097 114.097 115.497 -1.400 25446 67 1 1 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.519 0.422 25446 68 1 1 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.775 -1.782 25446 69 1 1 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.189 1.803 25446 70 1 1 . 1 1 15 15 PHE H H 15 7.916 7.916 7.119 0.797 25446 71 1 1 . 1 1 16 16 LEU N N 16 121.405 121.405 120.089 1.316 25446 72 1 1 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.862 0.105 25446 73 1 1 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.295 0.022 25446 74 1 1 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.996 0.739 25446 75 1 1 . 1 1 16 16 LEU H H 16 8.046 8.046 8.383 -0.337 25446 76 1 1 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.542 -0.168 25446 77 1 1 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.750 0.915 25446 78 1 1 . 1 1 18 18 ASP N N 18 116.413 116.413 117.549 -1.136 25446 79 1 1 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.629 -0.045 25446 80 1 1 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.667 -0.077 25446 81 1 1 . 1 1 18 18 ASP H H 18 8.415 8.415 8.639 -0.224 25446 82 1 1 . 1 1 19 19 VAL N N 19 122.077 122.077 119.943 2.134 25446 83 1 1 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.178 -0.065 25446 84 1 1 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.462 0.885 25446 85 1 1 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.092 -0.705 25446 86 1 1 . 1 1 19 19 VAL H H 19 7.771 7.771 7.299 0.472 25446 87 1 1 . 1 1 20 20 ALA N N 20 129.197 129.197 128.916 0.281 25446 88 1 1 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.387 0.201 25446 89 1 1 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.995 -0.767 25446 90 1 1 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.110 -0.687 25446 91 1 1 . 1 1 20 20 ALA H H 20 8.765 8.765 8.481 0.284 25446 92 1 1 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.240 -0.166 25446 93 1 1 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.264 0.876 25446 94 1 1 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.943 -0.605 25446 95 1 1 . 1 1 22 22 ALA N N 22 115.949 115.949 117.930 -1.981 25446 96 1 1 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.222 -0.105 25446 97 1 1 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.850 -0.067 25446 98 1 1 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.369 0.383 25446 99 1 1 . 1 1 22 22 ALA H H 22 8.074 8.074 8.015 0.059 25446 100 1 1 . 1 1 23 23 ASP N N 23 115.451 115.451 118.256 -2.805 25446 101 1 1 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.757 -0.105 25446 102 1 1 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.127 0.317 25446 103 1 1 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.941 0.199 25446 104 1 1 . 1 1 23 23 ASP H H 23 8.023 8.023 7.868 0.155 25446 105 1 1 . 1 1 24 24 VAL N N 24 121.382 121.382 120.947 0.435 25446 106 1 1 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.116 -0.288 25446 107 1 1 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.467 0.845 25446 108 1 1 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.464 -1.600 25446 109 1 1 . 1 1 24 24 VAL H H 24 7.072 7.072 7.324 -0.252 25446 110 1 1 . 1 1 25 25 ASP N N 25 129.258 129.258 127.738 1.520 25446 111 1 1 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.578 -0.006 25446 112 1 1 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.699 -0.229 25446 113 1 1 . 1 1 25 25 ASP H H 25 8.499 8.499 8.848 -0.349 25446 114 1 1 . 1 1 26 26 VAL N N 26 121.736 121.736 118.709 3.027 25446 115 1 1 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.852 0.256 25446 116 1 1 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.785 0.691 25446 117 1 1 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.911 -0.694 25446 118 1 1 . 1 1 26 26 VAL H H 26 8.566 8.566 7.860 0.706 25446 119 1 1 . 1 1 27 27 ASP N N 27 116.233 116.233 118.212 -1.979 25446 120 1 1 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.687 0.467 25446 121 1 1 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.208 -0.084 25446 122 1 1 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.257 2.335 25446 123 1 1 . 1 1 27 27 ASP H H 27 8.638 8.638 7.966 0.672 25446 124 1 1 . 1 1 28 28 LEU N N 28 125.046 125.046 122.827 2.219 25446 125 1 1 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.435 -0.409 25446 126 1 1 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.717 1.150 25446 127 1 1 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.420 -0.012 25446 128 1 1 . 1 1 28 28 LEU H H 28 7.389 7.389 7.447 -0.058 25446 129 1 1 . 1 1 29 29 ASP N N 29 125.807 125.807 126.120 -0.313 25446 130 1 1 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.758 0.073 25446 131 1 1 . 1 1 29 29 ASP H H 29 8.731 8.731 8.634 0.097 25446 132 1 1 . 1 1 30 30 LEU N N 30 130.007 130.007 125.798 4.209 25446 133 1 1 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.027 -0.129 25446 134 1 1 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.964 -0.545 25446 135 1 1 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.674 0.449 25446 136 1 1 . 1 1 30 30 LEU H H 30 9.744 9.744 8.690 1.054 25446 137 1 1 . 1 1 31 31 VAL N N 31 121.093 121.093 122.716 -1.623 25446 138 1 1 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.668 0.558 25446 139 1 1 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.640 -1.249 25446 140 1 1 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.061 1.120 25446 141 1 1 . 1 1 31 31 VAL H H 31 8.166 8.166 7.865 0.301 25446 142 1 1 . 1 1 32 32 ASP N N 32 124.657 124.657 119.870 4.787 25446 143 1 1 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.346 0.018 25446 144 1 1 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.033 0.086 25446 145 1 1 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.108 0.652 25446 146 1 1 . 1 1 32 32 ASP H H 32 9.365 9.365 8.088 1.277 25446 147 1 1 . 1 1 33 33 ASN N N 33 111.260 111.260 117.487 -6.227 25446 148 1 1 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.542 0.198 25446 149 1 1 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.791 1.021 25446 150 1 1 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.633 1.474 25446 151 1 1 . 1 1 33 33 ASN H H 33 7.423 7.423 8.035 -0.612 25446 152 1 1 . 1 1 34 34 GLY N N 34 106.935 106.935 109.558 -2.623 25446 153 1 1 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.960 -0.336 25446 154 1 1 . 1 1 34 34 GLY H H 34 7.648 7.648 8.624 -0.976 25446 155 1 1 . 1 1 35 35 VAL N N 35 120.307 120.307 121.454 -1.147 25446 156 1 1 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.617 0.163 25446 157 1 1 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.937 0.088 25446 158 1 1 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.807 -0.018 25446 159 1 1 . 1 1 35 35 VAL H H 35 7.838 7.838 7.489 0.349 25446 160 1 1 . 1 1 36 36 ILE N N 36 116.154 116.154 118.953 -2.799 25446 161 1 1 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.928 -0.169 25446 162 1 1 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.463 -2.887 25446 163 1 1 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.837 1.388 25446 164 1 1 . 1 1 36 36 ILE H H 36 7.337 7.337 8.776 -1.439 25446 165 1 1 . 1 1 37 37 ASP N N 37 126.730 126.730 120.461 6.269 25446 166 1 1 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.556 1.173 25446 167 1 1 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.590 -4.953 25446 168 1 1 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.334 0.917 25446 169 1 1 . 1 1 37 37 ASP H H 37 7.921 7.921 8.042 -0.121 25446 170 1 1 . 1 1 38 38 SER N N 38 113.176 113.176 113.593 -0.417 25446 171 1 1 . 1 1 38 38 SER HA H 38 4.122 4.122 4.550 -0.428 25446 172 1 1 . 1 1 38 38 SER CA C 38 61.062 61.062 59.708 1.354 25446 173 1 1 . 1 1 39 39 LEU N N 39 122.521 122.521 123.420 -0.899 25446 174 1 1 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.175 0.098 25446 175 1 1 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.242 -0.872 25446 176 1 1 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.923 -0.664 25446 177 1 1 . 1 1 39 39 LEU H H 39 7.675 7.675 7.689 -0.014 25446 178 1 1 . 1 1 40 40 GLY N N 40 111.971 111.971 106.685 5.286 25446 179 1 1 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.938 1.182 25446 180 1 1 . 1 1 40 40 GLY H H 40 8.776 8.776 7.599 1.177 25446 181 1 1 . 1 1 41 41 LEU N N 41 122.579 122.579 123.691 -1.112 25446 182 1 1 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.123 -0.278 25446 183 1 1 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.868 0.397 25446 184 1 1 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.082 -0.503 25446 185 1 1 . 1 1 41 41 LEU H H 41 8.551 8.551 8.767 -0.216 25446 186 1 1 . 1 1 42 42 LEU N N 42 116.126 116.126 119.473 -3.347 25446 187 1 1 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.974 0.035 25446 188 1 1 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.325 -0.224 25446 189 1 1 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.733 -0.786 25446 190 1 1 . 1 1 42 42 LEU H H 42 7.213 7.213 7.790 -0.577 25446 191 1 1 . 1 1 43 43 LYS N N 43 119.793 119.793 119.366 0.427 25446 192 1 1 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.104 0.178 25446 193 1 1 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.029 -0.459 25446 194 1 1 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.565 -0.028 25446 195 1 1 . 1 1 43 43 LYS H H 43 7.664 7.664 7.533 0.131 25446 196 1 1 . 1 1 44 44 VAL N N 44 121.147 121.147 121.231 -0.084 25446 197 1 1 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.928 0.009 25446 198 1 1 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.028 -0.210 25446 199 1 1 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.998 -0.439 25446 200 1 1 . 1 1 44 44 VAL H H 44 8.278 8.278 8.838 -0.560 25446 201 1 1 . 1 1 45 45 ILE N N 45 119.222 119.222 120.412 -1.190 25446 202 1 1 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.708 -0.303 25446 203 1 1 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.322 1.739 25446 204 1 1 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.200 1.039 25446 205 1 1 . 1 1 45 45 ILE H H 45 8.127 8.127 8.669 -0.542 25446 206 1 1 . 1 1 46 46 ALA N N 46 121.011 121.011 122.583 -1.572 25446 207 1 1 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.140 0.092 25446 208 1 1 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.199 -0.239 25446 209 1 1 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.320 0.020 25446 210 1 1 . 1 1 46 46 ALA H H 46 7.811 7.811 7.861 -0.050 25446 211 1 1 . 1 1 47 47 TRP N N 47 121.158 121.158 121.310 -0.152 25446 212 1 1 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.479 -0.244 25446 213 1 1 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.962 1.872 25446 214 1 1 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.600 -1.380 25446 215 1 1 . 1 1 47 47 TRP H H 47 8.094 8.094 8.382 -0.288 25446 216 1 1 . 1 1 48 48 LEU N N 48 118.890 118.890 121.184 -2.294 25446 217 1 1 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.211 0.362 25446 218 1 1 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.398 -0.206 25446 219 1 1 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.560 0.694 25446 220 1 1 . 1 1 48 48 LEU H H 48 8.704 8.704 8.667 0.037 25446 221 1 1 . 1 1 49 49 GLU N N 49 118.917 118.917 118.279 0.638 25446 222 1 1 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.967 0.079 25446 223 1 1 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.227 0.481 25446 224 1 1 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.730 0.885 25446 225 1 1 . 1 1 49 49 GLU H H 49 7.808 7.808 8.344 -0.536 25446 226 1 1 . 1 1 50 50 ASP N N 50 119.614 119.614 120.008 -0.394 25446 227 1 1 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.404 -0.164 25446 228 1 1 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.553 0.456 25446 229 1 1 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.088 1.289 25446 230 1 1 . 1 1 50 50 ASP H H 50 7.677 7.677 7.599 0.078 25446 231 1 1 . 1 1 51 51 ARG N N 51 116.918 116.918 117.841 -0.923 25446 232 1 1 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.981 -0.256 25446 233 1 1 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.369 -2.081 25446 234 1 1 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.293 -1.009 25446 235 1 1 . 1 1 51 51 ARG H H 51 8.876 8.876 7.929 0.947 25446 236 1 1 . 1 1 52 52 PHE N N 52 112.278 112.278 113.947 -1.669 25446 237 1 1 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.631 0.026 25446 238 1 1 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.300 -1.250 25446 239 1 1 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.809 0.943 25446 240 1 1 . 1 1 52 52 PHE H H 52 7.330 7.330 7.619 -0.289 25446 241 1 1 . 1 1 53 53 GLY N N 53 109.717 109.717 109.512 0.205 25446 242 1 1 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.683 0.963 25446 243 1 1 . 1 1 53 53 GLY H H 53 7.411 7.411 8.242 -0.831 25446 244 1 1 . 1 1 54 54 ILE N N 54 119.148 119.148 120.880 -1.732 25446 245 1 1 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.088 -0.145 25446 246 1 1 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.653 -0.053 25446 247 1 1 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.489 1.020 25446 248 1 1 . 1 1 54 54 ILE H H 54 6.901 6.901 7.608 -0.707 25446 249 1 1 . 1 1 55 55 ALA N N 55 129.774 129.774 130.433 -0.659 25446 250 1 1 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.313 0.089 25446 251 1 1 . 1 1 55 55 ALA CA C 55 51.648 51.648 51.961 -0.313 25446 252 1 1 . 1 1 55 55 ALA H H 55 8.538 8.538 8.529 0.009 25446 253 1 1 . 1 1 56 56 ALA N N 56 126.034 126.034 125.252 0.782 25446 254 1 1 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.005 0.268 25446 255 1 1 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.367 -0.755 25446 256 1 1 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.375 0.747 25446 257 1 1 . 1 1 56 56 ALA H H 56 8.620 8.620 8.832 -0.212 25446 258 1 1 . 1 1 57 57 ASP N N 57 115.649 115.649 116.971 -1.322 25446 259 1 1 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.343 0.133 25446 260 1 1 . 1 1 57 57 ASP CA C 57 55.170 55.170 56.265 -1.095 25446 261 1 1 . 1 1 57 57 ASP H H 57 8.321 8.321 8.596 -0.275 25446 262 1 1 . 1 1 58 58 ASP N N 58 118.298 118.298 118.702 -0.404 25446 263 1 1 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.393 0.275 25446 264 1 1 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.880 -1.078 25446 265 1 1 . 1 1 58 58 ASP H H 58 7.971 7.971 7.878 0.093 25446 266 1 1 . 1 1 59 59 VAL N N 59 118.443 118.443 118.392 0.051 25446 267 1 1 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.124 0.085 25446 268 1 1 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.005 1.065 25446 269 1 1 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.810 -1.480 25446 270 1 1 . 1 1 59 59 VAL H H 59 7.700 7.700 7.473 0.227 25446 271 1 1 . 1 1 60 60 GLU N N 60 122.777 122.777 126.308 -3.531 25446 272 1 1 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.367 -0.084 25446 273 1 1 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.646 0.672 25446 274 1 1 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.776 -0.899 25446 275 1 1 . 1 1 60 60 GLU H H 60 8.416 8.416 8.202 0.214 25446 276 1 1 . 1 1 61 61 LEU N N 61 124.910 124.910 124.933 -0.023 25446 277 1 1 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.531 -0.174 25446 278 1 1 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.843 0.319 25446 279 1 1 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.679 -0.834 25446 280 1 1 . 1 1 61 61 LEU H H 61 8.249 8.249 8.416 -0.167 25446 281 1 1 . 1 1 62 62 SER N N 62 118.228 118.228 117.354 0.874 25446 282 1 1 . 1 1 62 62 SER HA H 62 4.816 4.816 4.861 -0.045 25446 283 1 1 . 1 1 62 62 SER CB C 62 63.963 63.963 65.402 -1.439 25446 284 1 1 . 1 1 62 62 SER H H 62 8.025 8.025 8.223 -0.198 25446 285 1 1 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.651 -0.397 25446 286 1 1 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.963 -0.069 25446 287 1 1 . 1 1 64 64 GLU N N 64 116.457 116.457 117.770 -1.313 25446 288 1 1 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.112 -0.245 25446 289 1 1 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.870 -0.124 25446 290 1 1 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.839 -0.132 25446 291 1 1 . 1 1 64 64 GLU H H 64 8.310 8.310 8.874 -0.564 25446 292 1 1 . 1 1 65 65 HIS N N 65 114.998 114.998 119.966 -4.968 25446 293 1 1 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.230 0.067 25446 294 1 1 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.359 -0.994 25446 295 1 1 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.639 -0.032 25446 296 1 1 . 1 1 65 65 HIS H H 65 7.324 7.324 7.813 -0.489 25446 297 1 1 . 1 1 66 66 PHE N N 66 115.965 115.965 115.260 0.705 25446 298 1 1 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.562 0.220 25446 299 1 1 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.419 -2.753 25446 300 1 1 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.851 0.133 25446 301 1 1 . 1 1 66 66 PHE H H 66 7.245 7.245 7.762 -0.517 25446 302 1 1 . 1 1 67 67 ARG N N 67 112.179 112.179 120.391 -8.212 25446 303 1 1 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.007 0.077 25446 304 1 1 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.472 -0.181 25446 305 1 1 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.804 0.833 25446 306 1 1 . 1 1 67 67 ARG H H 67 6.632 6.632 7.560 -0.928 25446 307 1 1 . 1 1 68 68 SER N N 68 109.181 109.181 108.172 1.009 25446 308 1 1 . 1 1 68 68 SER HA H 68 4.985 4.985 4.619 0.366 25446 309 1 1 . 1 1 68 68 SER CA C 68 55.664 55.664 56.515 -0.851 25446 310 1 1 . 1 1 68 68 SER CB C 68 67.608 67.608 64.309 3.299 25446 311 1 1 . 1 1 68 68 SER H H 68 8.139 8.139 7.512 0.627 25446 312 1 1 . 1 1 69 69 ILE N N 69 122.526 122.526 126.628 -4.102 25446 313 1 1 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.791 -0.109 25446 314 1 1 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.031 1.707 25446 315 1 1 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.991 -1.003 25446 316 1 1 . 1 1 69 69 ILE H H 69 9.770 9.770 9.169 0.601 25446 317 1 1 . 1 1 70 70 ARG N N 70 118.671 118.671 120.556 -1.885 25446 318 1 1 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.122 -0.153 25446 319 1 1 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.943 0.386 25446 320 1 1 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.882 0.418 25446 321 1 1 . 1 1 70 70 ARG H H 70 8.860 8.860 7.716 1.144 25446 322 1 1 . 1 1 71 71 SER N N 71 117.722 117.722 115.091 2.631 25446 323 1 1 . 1 1 71 71 SER HA H 71 4.346 4.346 4.153 0.193 25446 324 1 1 . 1 1 71 71 SER CB C 71 62.962 62.962 62.779 0.183 25446 325 1 1 . 1 1 71 71 SER H H 71 8.534 8.534 7.606 0.928 25446 326 1 1 . 1 1 72 72 ILE N N 72 127.380 127.380 122.359 5.021 25446 327 1 1 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.751 0.174 25446 328 1 1 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.189 1.556 25446 329 1 1 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.430 -0.069 25446 330 1 1 . 1 1 72 72 ILE H H 72 8.789 8.789 7.318 1.471 25446 331 1 1 . 1 1 73 73 ASP N N 73 121.443 121.443 120.673 0.770 25446 332 1 1 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.222 -0.210 25446 333 1 1 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.659 1.441 25446 334 1 1 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.812 3.868 25446 335 1 1 . 1 1 73 73 ASP H H 73 8.699 8.699 8.197 0.502 25446 336 1 1 . 1 1 74 74 ALA N N 74 118.799 118.799 122.223 -3.424 25446 337 1 1 . 1 1 74 74 ALA HA H 74 4.039 4.039 3.998 0.041 25446 338 1 1 . 1 1 74 74 ALA CA C 74 55.235 55.235 54.935 0.300 25446 339 1 1 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.109 -0.160 25446 340 1 1 . 1 1 74 74 ALA H H 74 8.042 8.042 7.642 0.400 25446 341 1 1 . 1 1 75 75 PHE N N 75 121.125 121.125 117.932 3.193 25446 342 1 1 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.168 -0.123 25446 343 1 1 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.881 -0.930 25446 344 1 1 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.642 0.229 25446 345 1 1 . 1 1 75 75 PHE H H 75 8.369 8.369 7.532 0.837 25446 346 1 1 . 1 1 76 76 VAL N N 76 120.715 120.715 119.467 1.248 25446 347 1 1 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.617 -0.667 25446 348 1 1 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.091 -0.262 25446 349 1 1 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.343 -0.116 25446 350 1 1 . 1 1 76 76 VAL H H 76 8.555 8.555 8.593 -0.038 25446 351 1 1 . 1 1 77 77 VAL N N 77 121.286 121.286 119.048 2.238 25446 352 1 1 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.540 -0.047 25446 353 1 1 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.222 0.557 25446 354 1 1 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.622 0.244 25446 355 1 1 . 1 1 77 77 VAL H H 77 8.770 8.770 8.288 0.482 25446 356 1 1 . 1 1 78 78 GLY N N 78 106.349 106.349 106.054 0.295 25446 357 1 1 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.706 -0.074 25446 358 1 1 . 1 1 78 78 GLY H H 78 7.976 7.976 8.033 -0.057 25446 359 1 1 . 1 1 79 79 ALA N N 79 120.998 120.998 122.376 -1.378 25446 360 1 1 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.658 -0.451 25446 361 1 1 . 1 1 79 79 ALA CA C 79 52.796 52.796 53.030 -0.234 25446 362 1 1 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.707 -1.441 25446 363 1 1 . 1 1 79 79 ALA H H 79 7.647 7.647 7.518 0.129 25446 364 1 1 . 1 1 80 80 THR N N 80 107.402 107.402 113.945 -6.543 25446 365 1 1 . 1 1 80 80 THR HA H 80 4.454 4.454 4.435 0.019 25446 366 1 1 . 1 1 80 80 THR CA C 80 61.337 61.337 61.878 -0.541 25446 367 1 1 . 1 1 80 80 THR CB C 80 70.703 70.703 70.899 -0.196 25446 368 1 1 . 1 1 80 80 THR H H 80 7.469 7.469 8.115 -0.646 25446 369 1 1 . 1 1 81 81 THR N N 81 119.746 119.746 117.677 2.069 25446 370 1 1 . 1 1 81 81 THR HA H 81 4.668 4.668 4.565 0.103 25446 371 1 1 . 1 1 81 81 THR CA C 81 60.448 60.448 58.487 1.961 25446 372 1 1 . 1 1 81 81 THR CB C 81 70.062 70.062 69.514 0.548 25446 373 1 1 . 1 1 81 81 THR H H 81 7.684 7.684 8.004 -0.320 25446 374 1 1 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.785 -0.086 25446 375 1 1 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.723 0.887 25446 376 1 1 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.738 -0.734 25446 377 1 1 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.386 0.087 25446 378 1 1 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.241 0.570 25446 379 1 1 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.299 -0.218 25446 380 1 1 . 1 1 84 84 VAL N N 84 120.611 120.611 122.422 -1.811 25446 381 1 1 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.316 -0.269 25446 382 1 1 . 1 1 84 84 VAL CA C 84 62.313 62.313 59.912 2.401 25446 383 1 1 . 1 1 84 84 VAL CB C 84 32.872 32.872 35.434 -2.562 25446 384 1 1 . 1 1 84 84 VAL H H 84 8.240 8.240 8.228 0.012 25446 385 1 1 . 1 1 85 85 GLU N N 85 125.076 125.076 126.371 -1.295 25446 386 1 1 . 1 1 85 85 GLU H H 85 8.434 8.434 8.655 -0.221 25446 387 1 1 . 1 1 86 86 ALA N N 86 126.280 126.280 117.805 8.475 25446 388 1 1 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.951 1.337 25446 389 1 1 . 1 1 86 86 ALA H H 86 8.340 8.340 7.518 0.822 25446 390 1 1 . 1 1 87 87 LYS N N 87 121.709 121.709 121.438 0.271 25446 391 1 1 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.912 0.292 25446 392 1 1 . 1 1 87 87 LYS H H 87 8.334 8.334 8.437 -0.103 25446 393 1 1 . 1 1 88 88 LEU N N 88 125.379 125.379 126.075 -0.696 25446 394 1 1 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.398 -4.398 25446 395 1 1 . 1 1 88 88 LEU H H 88 8.435 8.435 8.620 -0.185 25446 396 1 2 . 1 1 2 2 GLN N N 2 123.771 123.771 122.754 1.017 25446 397 1 2 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.407 -0.277 25446 398 1 2 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.574 1.975 25446 399 1 2 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.317 0.845 25446 400 1 2 . 1 1 2 2 GLN H H 2 9.634 9.634 8.384 1.250 25446 401 1 2 . 1 1 3 3 HIS N N 3 119.013 119.013 120.224 -1.211 25446 402 1 2 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.135 1.049 25446 403 1 2 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.334 -1.331 25446 404 1 2 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.835 3.253 25446 405 1 2 . 1 1 3 3 HIS H H 3 9.946 9.946 9.020 0.926 25446 406 1 2 . 1 1 4 4 ALA N N 4 122.550 122.550 120.812 1.738 25446 407 1 2 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.140 -0.249 25446 408 1 2 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.987 1.573 25446 409 1 2 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.010 -0.218 25446 410 1 2 . 1 1 4 4 ALA H H 4 7.524 7.524 8.229 -0.705 25446 411 1 2 . 1 1 5 5 SER N N 5 112.310 112.310 112.874 -0.564 25446 412 1 2 . 1 1 5 5 SER HA H 5 4.295 4.295 4.137 0.158 25446 413 1 2 . 1 1 5 5 SER CA C 5 62.089 62.089 60.918 1.171 25446 414 1 2 . 1 1 5 5 SER CB C 5 62.421 62.421 62.630 -0.209 25446 415 1 2 . 1 1 5 5 SER H H 5 8.772 8.772 8.269 0.503 25446 416 1 2 . 1 1 6 6 VAL N N 6 122.625 122.625 122.783 -0.158 25446 417 1 2 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.768 0.343 25446 418 1 2 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.217 -0.509 25446 419 1 2 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.842 0.898 25446 420 1 2 . 1 1 6 6 VAL H H 6 7.657 7.657 7.400 0.257 25446 421 1 2 . 1 1 7 7 ILE N N 7 121.536 121.536 119.940 1.596 25446 422 1 2 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.744 0.482 25446 423 1 2 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.145 0.148 25446 424 1 2 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.417 1.214 25446 425 1 2 . 1 1 7 7 ILE H H 7 8.526 8.526 7.390 1.136 25446 426 1 2 . 1 1 8 8 ALA N N 8 121.229 121.229 121.767 -0.538 25446 427 1 2 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.052 -0.156 25446 428 1 2 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.573 0.669 25446 429 1 2 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.174 0.557 25446 430 1 2 . 1 1 8 8 ALA H H 8 8.946 8.946 7.741 1.205 25446 431 1 2 . 1 1 9 9 GLN N N 9 114.998 114.998 119.192 -4.194 25446 432 1 2 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.065 -0.192 25446 433 1 2 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.355 0.605 25446 434 1 2 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.235 -0.422 25446 435 1 2 . 1 1 9 9 GLN H H 9 7.731 7.731 8.167 -0.436 25446 436 1 2 . 1 1 10 10 PHE N N 10 120.075 120.075 121.316 -1.241 25446 437 1 2 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.124 -0.046 25446 438 1 2 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.923 -1.070 25446 439 1 2 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.395 -0.572 25446 440 1 2 . 1 1 10 10 PHE H H 10 7.299 7.299 8.684 -1.385 25446 441 1 2 . 1 1 11 11 VAL N N 11 117.458 117.458 118.617 -1.159 25446 442 1 2 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.881 -0.574 25446 443 1 2 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.195 0.249 25446 444 1 2 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.313 -0.625 25446 445 1 2 . 1 1 11 11 VAL H H 11 8.363 8.363 8.339 0.024 25446 446 1 2 . 1 1 12 12 VAL N N 12 117.722 117.722 119.845 -2.123 25446 447 1 2 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.585 1.162 25446 448 1 2 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.883 0.035 25446 449 1 2 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.957 0.310 25446 450 1 2 . 1 1 12 12 VAL H H 12 8.289 8.289 8.222 0.067 25446 451 1 2 . 1 1 13 13 GLU N N 13 117.827 117.827 118.613 -0.786 25446 452 1 2 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.853 -0.111 25446 453 1 2 . 1 1 13 13 GLU CA C 13 59.193 59.193 58.953 0.240 25446 454 1 2 . 1 1 13 13 GLU CB C 13 29.494 29.494 28.907 0.587 25446 455 1 2 . 1 1 13 13 GLU H H 13 7.758 7.758 7.851 -0.093 25446 456 1 2 . 1 1 14 14 GLU N N 14 113.425 113.425 118.558 -5.133 25446 457 1 2 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.048 -0.276 25446 458 1 2 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.089 -1.482 25446 459 1 2 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.980 -0.481 25446 460 1 2 . 1 1 14 14 GLU H H 14 7.604 7.604 7.703 -0.099 25446 461 1 2 . 1 1 15 15 PHE N N 15 114.097 114.097 112.085 2.012 25446 462 1 2 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.781 0.160 25446 463 1 2 . 1 1 15 15 PHE CA C 15 57.993 57.993 57.588 0.405 25446 464 1 2 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.949 1.043 25446 465 1 2 . 1 1 15 15 PHE H H 15 7.916 7.916 6.985 0.931 25446 466 1 2 . 1 1 16 16 LEU N N 16 121.405 121.405 122.352 -0.947 25446 467 1 2 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.727 0.240 25446 468 1 2 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.026 0.291 25446 469 1 2 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.752 0.983 25446 470 1 2 . 1 1 16 16 LEU H H 16 8.046 8.046 7.366 0.680 25446 471 1 2 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.439 -0.065 25446 472 1 2 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.049 1.616 25446 473 1 2 . 1 1 18 18 ASP N N 18 116.413 116.413 118.103 -1.690 25446 474 1 2 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.468 0.116 25446 475 1 2 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.217 0.374 25446 476 1 2 . 1 1 18 18 ASP H H 18 8.415 8.415 8.643 -0.228 25446 477 1 2 . 1 1 19 19 VAL N N 19 122.077 122.077 118.951 3.126 25446 478 1 2 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.088 0.025 25446 479 1 2 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.145 0.202 25446 480 1 2 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.834 -1.447 25446 481 1 2 . 1 1 19 19 VAL H H 19 7.771 7.771 7.093 0.678 25446 482 1 2 . 1 1 20 20 ALA N N 20 129.197 129.197 128.074 1.123 25446 483 1 2 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.376 0.212 25446 484 1 2 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.766 -0.538 25446 485 1 2 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.135 -0.712 25446 486 1 2 . 1 1 20 20 ALA H H 20 8.765 8.765 8.536 0.229 25446 487 1 2 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.182 -0.108 25446 488 1 2 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.076 1.065 25446 489 1 2 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.850 -0.512 25446 490 1 2 . 1 1 22 22 ALA N N 22 115.949 115.949 118.949 -3.000 25446 491 1 2 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.203 -0.086 25446 492 1 2 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.775 0.008 25446 493 1 2 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.447 0.305 25446 494 1 2 . 1 1 22 22 ALA H H 22 8.074 8.074 7.992 0.082 25446 495 1 2 . 1 1 23 23 ASP N N 23 115.451 115.451 116.731 -1.280 25446 496 1 2 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.669 -0.017 25446 497 1 2 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.271 1.173 25446 498 1 2 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.625 0.515 25446 499 1 2 . 1 1 23 23 ASP H H 23 8.023 8.023 7.780 0.243 25446 500 1 2 . 1 1 24 24 VAL N N 24 121.382 121.382 121.115 0.267 25446 501 1 2 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.114 -0.286 25446 502 1 2 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.963 0.348 25446 503 1 2 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.029 -1.165 25446 504 1 2 . 1 1 24 24 VAL H H 24 7.072 7.072 7.346 -0.274 25446 505 1 2 . 1 1 25 25 ASP N N 25 129.258 129.258 126.864 2.394 25446 506 1 2 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.590 -0.018 25446 507 1 2 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.763 0.707 25446 508 1 2 . 1 1 25 25 ASP H H 25 8.499 8.499 8.827 -0.328 25446 509 1 2 . 1 1 26 26 VAL N N 26 121.736 121.736 120.222 1.514 25446 510 1 2 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.946 0.162 25446 511 1 2 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.488 0.988 25446 512 1 2 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.057 0.160 25446 513 1 2 . 1 1 26 26 VAL H H 26 8.566 8.566 8.154 0.412 25446 514 1 2 . 1 1 27 27 ASP N N 27 116.233 116.233 119.152 -2.919 25446 515 1 2 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.699 0.455 25446 516 1 2 . 1 1 27 27 ASP CA C 27 54.123 54.123 53.519 0.604 25446 517 1 2 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.493 1.099 25446 518 1 2 . 1 1 27 27 ASP H H 27 8.638 8.638 7.898 0.740 25446 519 1 2 . 1 1 28 28 LEU N N 28 125.046 125.046 122.389 2.657 25446 520 1 2 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.470 -0.444 25446 521 1 2 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.378 1.489 25446 522 1 2 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.952 -0.544 25446 523 1 2 . 1 1 28 28 LEU H H 28 7.389 7.389 7.564 -0.175 25446 524 1 2 . 1 1 29 29 ASP N N 29 125.807 125.807 124.787 1.020 25446 525 1 2 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.662 0.169 25446 526 1 2 . 1 1 29 29 ASP H H 29 8.731 8.731 8.552 0.179 25446 527 1 2 . 1 1 30 30 LEU N N 30 130.007 130.007 123.125 6.882 25446 528 1 2 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.098 -0.200 25446 529 1 2 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.537 -0.118 25446 530 1 2 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.328 0.795 25446 531 1 2 . 1 1 30 30 LEU H H 30 9.744 9.744 8.498 1.246 25446 532 1 2 . 1 1 31 31 VAL N N 31 121.093 121.093 122.189 -1.096 25446 533 1 2 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.591 0.635 25446 534 1 2 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.528 -2.136 25446 535 1 2 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.959 1.222 25446 536 1 2 . 1 1 31 31 VAL H H 31 8.166 8.166 7.946 0.220 25446 537 1 2 . 1 1 32 32 ASP N N 32 124.657 124.657 119.561 5.096 25446 538 1 2 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.359 0.005 25446 539 1 2 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.954 0.165 25446 540 1 2 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.028 0.732 25446 541 1 2 . 1 1 32 32 ASP H H 32 9.365 9.365 7.984 1.381 25446 542 1 2 . 1 1 33 33 ASN N N 33 111.260 111.260 117.862 -6.602 25446 543 1 2 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.573 0.167 25446 544 1 2 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.949 0.863 25446 545 1 2 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.898 1.208 25446 546 1 2 . 1 1 33 33 ASN H H 33 7.423 7.423 7.968 -0.545 25446 547 1 2 . 1 1 34 34 GLY N N 34 106.935 106.935 109.725 -2.790 25446 548 1 2 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.176 -0.552 25446 549 1 2 . 1 1 34 34 GLY H H 34 7.648 7.648 8.638 -0.990 25446 550 1 2 . 1 1 35 35 VAL N N 35 120.307 120.307 121.733 -1.426 25446 551 1 2 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.629 0.151 25446 552 1 2 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.647 0.378 25446 553 1 2 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.540 0.249 25446 554 1 2 . 1 1 35 35 VAL H H 35 7.838 7.838 7.399 0.439 25446 555 1 2 . 1 1 36 36 ILE N N 36 116.154 116.154 119.330 -3.176 25446 556 1 2 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.782 -0.023 25446 557 1 2 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.971 -3.395 25446 558 1 2 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.707 1.518 25446 559 1 2 . 1 1 36 36 ILE H H 36 7.337 7.337 8.753 -1.416 25446 560 1 2 . 1 1 37 37 ASP N N 37 126.730 126.730 120.255 6.475 25446 561 1 2 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.812 0.917 25446 562 1 2 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.572 -4.935 25446 563 1 2 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.064 1.187 25446 564 1 2 . 1 1 37 37 ASP H H 37 7.921 7.921 7.880 0.041 25446 565 1 2 . 1 1 38 38 SER N N 38 113.176 113.176 113.916 -0.740 25446 566 1 2 . 1 1 38 38 SER HA H 38 4.122 4.122 4.544 -0.422 25446 567 1 2 . 1 1 38 38 SER CA C 38 61.062 61.062 60.044 1.018 25446 568 1 2 . 1 1 39 39 LEU N N 39 122.521 122.521 122.774 -0.253 25446 569 1 2 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.125 0.148 25446 570 1 2 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.485 -1.115 25446 571 1 2 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.015 -0.756 25446 572 1 2 . 1 1 39 39 LEU H H 39 7.675 7.675 7.715 -0.040 25446 573 1 2 . 1 1 40 40 GLY N N 40 111.971 111.971 106.630 5.341 25446 574 1 2 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.921 1.199 25446 575 1 2 . 1 1 40 40 GLY H H 40 8.776 8.776 7.563 1.213 25446 576 1 2 . 1 1 41 41 LEU N N 41 122.579 122.579 123.679 -1.100 25446 577 1 2 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.197 -0.352 25446 578 1 2 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.820 0.445 25446 579 1 2 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.067 -0.488 25446 580 1 2 . 1 1 41 41 LEU H H 41 8.551 8.551 8.522 0.029 25446 581 1 2 . 1 1 42 42 LEU N N 42 116.126 116.126 119.449 -3.323 25446 582 1 2 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.924 0.085 25446 583 1 2 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.676 -0.575 25446 584 1 2 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.687 -0.740 25446 585 1 2 . 1 1 42 42 LEU H H 42 7.213 7.213 7.930 -0.717 25446 586 1 2 . 1 1 43 43 LYS N N 43 119.793 119.793 119.221 0.572 25446 587 1 2 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.067 0.215 25446 588 1 2 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.865 -0.295 25446 589 1 2 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.318 0.219 25446 590 1 2 . 1 1 43 43 LYS H H 43 7.664 7.664 7.443 0.221 25446 591 1 2 . 1 1 44 44 VAL N N 44 121.147 121.147 121.163 -0.016 25446 592 1 2 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.068 -0.131 25446 593 1 2 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.299 -0.481 25446 594 1 2 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.837 -0.278 25446 595 1 2 . 1 1 44 44 VAL H H 44 8.278 8.278 8.513 -0.235 25446 596 1 2 . 1 1 45 45 ILE N N 45 119.222 119.222 120.545 -1.323 25446 597 1 2 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.819 -0.414 25446 598 1 2 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.736 2.325 25446 599 1 2 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.962 2.277 25446 600 1 2 . 1 1 45 45 ILE H H 45 8.127 8.127 8.843 -0.716 25446 601 1 2 . 1 1 46 46 ALA N N 46 121.011 121.011 123.090 -2.079 25446 602 1 2 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.485 -0.253 25446 603 1 2 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.902 0.058 25446 604 1 2 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.492 -0.152 25446 605 1 2 . 1 1 46 46 ALA H H 46 7.811 7.811 8.163 -0.352 25446 606 1 2 . 1 1 47 47 TRP N N 47 121.158 121.158 121.060 0.098 25446 607 1 2 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.469 -0.234 25446 608 1 2 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.615 1.218 25446 609 1 2 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.890 -1.671 25446 610 1 2 . 1 1 47 47 TRP H H 47 8.094 8.094 8.003 0.091 25446 611 1 2 . 1 1 48 48 LEU N N 48 118.890 118.890 121.309 -2.419 25446 612 1 2 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.805 0.768 25446 613 1 2 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.041 0.151 25446 614 1 2 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.674 0.580 25446 615 1 2 . 1 1 48 48 LEU H H 48 8.704 8.704 8.963 -0.259 25446 616 1 2 . 1 1 49 49 GLU N N 49 118.917 118.917 118.109 0.808 25446 617 1 2 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.910 0.136 25446 618 1 2 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.359 0.349 25446 619 1 2 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.905 0.711 25446 620 1 2 . 1 1 49 49 GLU H H 49 7.808 7.808 8.650 -0.842 25446 621 1 2 . 1 1 50 50 ASP N N 50 119.614 119.614 120.549 -0.935 25446 622 1 2 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.421 -0.181 25446 623 1 2 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.356 0.653 25446 624 1 2 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.681 1.696 25446 625 1 2 . 1 1 50 50 ASP H H 50 7.677 7.677 7.607 0.070 25446 626 1 2 . 1 1 51 51 ARG N N 51 116.918 116.918 117.685 -0.767 25446 627 1 2 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.931 -0.206 25446 628 1 2 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.427 -2.139 25446 629 1 2 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.493 -1.209 25446 630 1 2 . 1 1 51 51 ARG H H 51 8.876 8.876 7.358 1.518 25446 631 1 2 . 1 1 52 52 PHE N N 52 112.278 112.278 114.752 -2.474 25446 632 1 2 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.598 0.059 25446 633 1 2 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.229 -1.179 25446 634 1 2 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.602 1.150 25446 635 1 2 . 1 1 52 52 PHE H H 52 7.330 7.330 7.601 -0.271 25446 636 1 2 . 1 1 53 53 GLY N N 53 109.717 109.717 109.675 0.042 25446 637 1 2 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.696 0.950 25446 638 1 2 . 1 1 53 53 GLY H H 53 7.411 7.411 8.290 -0.879 25446 639 1 2 . 1 1 54 54 ILE N N 54 119.148 119.148 120.827 -1.679 25446 640 1 2 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.096 -0.153 25446 641 1 2 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.509 0.091 25446 642 1 2 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.558 0.951 25446 643 1 2 . 1 1 54 54 ILE H H 54 6.901 6.901 7.416 -0.515 25446 644 1 2 . 1 1 55 55 ALA N N 55 129.774 129.774 129.880 -0.106 25446 645 1 2 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.280 0.122 25446 646 1 2 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.152 -0.504 25446 647 1 2 . 1 1 55 55 ALA H H 55 8.538 8.538 8.216 0.322 25446 648 1 2 . 1 1 56 56 ALA N N 56 126.034 126.034 126.111 -0.077 25446 649 1 2 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.031 0.242 25446 650 1 2 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.863 -1.251 25446 651 1 2 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.550 0.572 25446 652 1 2 . 1 1 56 56 ALA H H 56 8.620 8.620 9.027 -0.407 25446 653 1 2 . 1 1 57 57 ASP N N 57 115.649 115.649 116.812 -1.163 25446 654 1 2 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.392 0.084 25446 655 1 2 . 1 1 57 57 ASP CA C 57 55.170 55.170 56.192 -1.022 25446 656 1 2 . 1 1 57 57 ASP H H 57 8.321 8.321 8.625 -0.304 25446 657 1 2 . 1 1 58 58 ASP N N 58 118.298 118.298 117.868 0.430 25446 658 1 2 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.429 0.239 25446 659 1 2 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.975 -1.173 25446 660 1 2 . 1 1 58 58 ASP H H 58 7.971 7.971 7.831 0.140 25446 661 1 2 . 1 1 59 59 VAL N N 59 118.443 118.443 114.463 3.980 25446 662 1 2 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.398 -0.189 25446 663 1 2 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.772 1.298 25446 664 1 2 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.212 -1.882 25446 665 1 2 . 1 1 59 59 VAL H H 59 7.700 7.700 7.510 0.190 25446 666 1 2 . 1 1 60 60 GLU N N 60 122.777 122.777 123.070 -0.293 25446 667 1 2 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.498 -0.215 25446 668 1 2 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.448 0.870 25446 669 1 2 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.504 -1.627 25446 670 1 2 . 1 1 60 60 GLU H H 60 8.416 8.416 8.259 0.157 25446 671 1 2 . 1 1 61 61 LEU N N 61 124.910 124.910 124.200 0.710 25446 672 1 2 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.412 -0.055 25446 673 1 2 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.922 1.240 25446 674 1 2 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.615 -0.770 25446 675 1 2 . 1 1 61 61 LEU H H 61 8.249 8.249 8.415 -0.166 25446 676 1 2 . 1 1 62 62 SER N N 62 118.228 118.228 117.404 0.824 25446 677 1 2 . 1 1 62 62 SER HA H 62 4.816 4.816 4.935 -0.119 25446 678 1 2 . 1 1 62 62 SER CB C 62 63.963 63.963 65.013 -1.050 25446 679 1 2 . 1 1 62 62 SER H H 62 8.025 8.025 8.021 0.004 25446 680 1 2 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.484 -0.230 25446 681 1 2 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.411 -0.517 25446 682 1 2 . 1 1 64 64 GLU N N 64 116.457 116.457 117.190 -0.733 25446 683 1 2 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.125 -0.258 25446 684 1 2 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.225 -0.479 25446 685 1 2 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.108 -0.401 25446 686 1 2 . 1 1 64 64 GLU H H 64 8.310 8.310 9.060 -0.750 25446 687 1 2 . 1 1 65 65 HIS N N 65 114.998 114.998 119.293 -4.295 25446 688 1 2 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.198 0.099 25446 689 1 2 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.719 -1.354 25446 690 1 2 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.757 -0.150 25446 691 1 2 . 1 1 65 65 HIS H H 65 7.324 7.324 8.102 -0.778 25446 692 1 2 . 1 1 66 66 PHE N N 66 115.965 115.965 115.380 0.585 25446 693 1 2 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.639 0.143 25446 694 1 2 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.148 -2.482 25446 695 1 2 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.378 0.606 25446 696 1 2 . 1 1 66 66 PHE H H 66 7.245 7.245 7.560 -0.315 25446 697 1 2 . 1 1 67 67 ARG N N 67 112.179 112.179 120.330 -8.151 25446 698 1 2 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.043 0.041 25446 699 1 2 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.543 -0.252 25446 700 1 2 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.632 1.005 25446 701 1 2 . 1 1 67 67 ARG H H 67 6.632 6.632 7.457 -0.825 25446 702 1 2 . 1 1 68 68 SER N N 68 109.181 109.181 109.110 0.071 25446 703 1 2 . 1 1 68 68 SER HA H 68 4.985 4.985 4.703 0.282 25446 704 1 2 . 1 1 68 68 SER CA C 68 55.664 55.664 57.190 -1.526 25446 705 1 2 . 1 1 68 68 SER CB C 68 67.608 67.608 65.898 1.710 25446 706 1 2 . 1 1 68 68 SER H H 68 8.139 8.139 7.497 0.642 25446 707 1 2 . 1 1 69 69 ILE N N 69 122.526 122.526 124.690 -2.164 25446 708 1 2 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.692 -0.010 25446 709 1 2 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.488 1.250 25446 710 1 2 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.955 -0.967 25446 711 1 2 . 1 1 69 69 ILE H H 69 9.770 9.770 8.935 0.835 25446 712 1 2 . 1 1 70 70 ARG N N 70 118.671 118.671 120.083 -1.412 25446 713 1 2 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.025 -0.057 25446 714 1 2 . 1 1 70 70 ARG CA C 70 60.329 60.329 60.286 0.043 25446 715 1 2 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.234 1.066 25446 716 1 2 . 1 1 70 70 ARG H H 70 8.860 8.860 8.627 0.233 25446 717 1 2 . 1 1 71 71 SER N N 71 117.722 117.722 115.210 2.512 25446 718 1 2 . 1 1 71 71 SER HA H 71 4.346 4.346 4.176 0.170 25446 719 1 2 . 1 1 71 71 SER CB C 71 62.962 62.962 62.331 0.631 25446 720 1 2 . 1 1 71 71 SER H H 71 8.534 8.534 8.091 0.443 25446 721 1 2 . 1 1 72 72 ILE N N 72 127.380 127.380 122.567 4.813 25446 722 1 2 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.413 0.512 25446 723 1 2 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.758 1.987 25446 724 1 2 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.629 -0.268 25446 725 1 2 . 1 1 72 72 ILE H H 72 8.789 8.789 7.242 1.547 25446 726 1 2 . 1 1 73 73 ASP N N 73 121.443 121.443 120.899 0.544 25446 727 1 2 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.273 -0.261 25446 728 1 2 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.378 1.722 25446 729 1 2 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.614 3.066 25446 730 1 2 . 1 1 73 73 ASP H H 73 8.699 8.699 8.124 0.575 25446 731 1 2 . 1 1 74 74 ALA N N 74 118.799 118.799 121.729 -2.930 25446 732 1 2 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.075 -0.036 25446 733 1 2 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.023 0.212 25446 734 1 2 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.262 -0.313 25446 735 1 2 . 1 1 74 74 ALA H H 74 8.042 8.042 7.705 0.337 25446 736 1 2 . 1 1 75 75 PHE N N 75 121.125 121.125 119.713 1.412 25446 737 1 2 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.127 -0.082 25446 738 1 2 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.831 -0.880 25446 739 1 2 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.557 -0.686 25446 740 1 2 . 1 1 75 75 PHE H H 75 8.369 8.369 7.741 0.628 25446 741 1 2 . 1 1 76 76 VAL N N 76 120.715 120.715 119.585 1.130 25446 742 1 2 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.433 -0.483 25446 743 1 2 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.134 -0.305 25446 744 1 2 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.970 -0.743 25446 745 1 2 . 1 1 76 76 VAL H H 76 8.555 8.555 8.200 0.355 25446 746 1 2 . 1 1 77 77 VAL N N 77 121.286 121.286 118.924 2.362 25446 747 1 2 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.671 -0.178 25446 748 1 2 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.982 0.796 25446 749 1 2 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.684 0.182 25446 750 1 2 . 1 1 77 77 VAL H H 77 8.770 8.770 8.286 0.484 25446 751 1 2 . 1 1 78 78 GLY N N 78 106.349 106.349 105.447 0.902 25446 752 1 2 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.467 0.165 25446 753 1 2 . 1 1 78 78 GLY H H 78 7.976 7.976 7.979 -0.003 25446 754 1 2 . 1 1 79 79 ALA N N 79 120.998 120.998 122.865 -1.867 25446 755 1 2 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.445 -0.238 25446 756 1 2 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.833 -0.037 25446 757 1 2 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.174 -0.908 25446 758 1 2 . 1 1 79 79 ALA H H 79 7.647 7.647 7.441 0.206 25446 759 1 2 . 1 1 80 80 THR N N 80 107.402 107.402 108.772 -1.370 25446 760 1 2 . 1 1 80 80 THR HA H 80 4.454 4.454 4.379 0.075 25446 761 1 2 . 1 1 80 80 THR CA C 80 61.337 61.337 61.240 0.097 25446 762 1 2 . 1 1 80 80 THR CB C 80 70.703 70.703 70.883 -0.180 25446 763 1 2 . 1 1 80 80 THR H H 80 7.469 7.469 8.070 -0.601 25446 764 1 2 . 1 1 81 81 THR N N 81 119.746 119.746 116.678 3.068 25446 765 1 2 . 1 1 81 81 THR HA H 81 4.668 4.668 4.665 0.003 25446 766 1 2 . 1 1 81 81 THR CA C 81 60.448 60.448 58.934 1.514 25446 767 1 2 . 1 1 81 81 THR CB C 81 70.062 70.062 69.293 0.769 25446 768 1 2 . 1 1 81 81 THR H H 81 7.684 7.684 8.389 -0.705 25446 769 1 2 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.982 -0.283 25446 770 1 2 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.121 0.489 25446 771 1 2 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.666 -0.662 25446 772 1 2 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.507 -0.034 25446 773 1 2 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.497 0.314 25446 774 1 2 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.667 -0.586 25446 775 1 2 . 1 1 84 84 VAL N N 84 120.611 120.611 122.803 -2.192 25446 776 1 2 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.280 -0.233 25446 777 1 2 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.425 1.887 25446 778 1 2 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.857 -1.985 25446 779 1 2 . 1 1 84 84 VAL H H 84 8.240 8.240 8.281 -0.041 25446 780 1 2 . 1 1 85 85 GLU N N 85 125.076 125.076 125.181 -0.105 25446 781 1 2 . 1 1 85 85 GLU H H 85 8.434 8.434 8.711 -0.277 25446 782 1 2 . 1 1 86 86 ALA N N 86 126.280 126.280 118.912 7.368 25446 783 1 2 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.860 1.428 25446 784 1 2 . 1 1 86 86 ALA H H 86 8.340 8.340 7.512 0.828 25446 785 1 2 . 1 1 87 87 LYS N N 87 121.709 121.709 121.234 0.475 25446 786 1 2 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.348 0.856 25446 787 1 2 . 1 1 87 87 LYS H H 87 8.334 8.334 8.251 0.083 25446 788 1 2 . 1 1 88 88 LEU N N 88 125.379 125.379 124.790 0.589 25446 789 1 2 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.283 -4.283 25446 790 1 2 . 1 1 88 88 LEU H H 88 8.435 8.435 7.969 0.466 25446 791 1 3 . 1 1 2 2 GLN N N 2 123.771 123.771 118.586 5.185 25446 792 1 3 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.094 0.036 25446 793 1 3 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.550 -1.001 25446 794 1 3 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.342 0.820 25446 795 1 3 . 1 1 2 2 GLN H H 2 9.634 9.634 8.572 1.062 25446 796 1 3 . 1 1 3 3 HIS N N 3 119.013 119.013 112.413 6.600 25446 797 1 3 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.661 0.523 25446 798 1 3 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.787 -0.784 25446 799 1 3 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.306 1.782 25446 800 1 3 . 1 1 3 3 HIS H H 3 9.946 9.946 8.358 1.588 25446 801 1 3 . 1 1 4 4 ALA N N 4 122.550 122.550 123.528 -0.978 25446 802 1 3 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.119 -0.228 25446 803 1 3 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.853 1.707 25446 804 1 3 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.431 0.360 25446 805 1 3 . 1 1 4 4 ALA H H 4 7.524 7.524 8.335 -0.811 25446 806 1 3 . 1 1 5 5 SER N N 5 112.310 112.310 113.856 -1.546 25446 807 1 3 . 1 1 5 5 SER HA H 5 4.295 4.295 4.179 0.116 25446 808 1 3 . 1 1 5 5 SER CA C 5 62.089 62.089 61.527 0.562 25446 809 1 3 . 1 1 5 5 SER CB C 5 62.421 62.421 62.687 -0.266 25446 810 1 3 . 1 1 5 5 SER H H 5 8.772 8.772 8.210 0.562 25446 811 1 3 . 1 1 6 6 VAL N N 6 122.625 122.625 120.967 1.658 25446 812 1 3 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.732 0.379 25446 813 1 3 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.038 -0.330 25446 814 1 3 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.526 1.214 25446 815 1 3 . 1 1 6 6 VAL H H 6 7.657 7.657 7.249 0.408 25446 816 1 3 . 1 1 7 7 ILE N N 7 121.536 121.536 120.770 0.766 25446 817 1 3 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.634 0.592 25446 818 1 3 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.051 -0.758 25446 819 1 3 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.282 1.349 25446 820 1 3 . 1 1 7 7 ILE H H 7 8.526 8.526 7.507 1.019 25446 821 1 3 . 1 1 8 8 ALA N N 8 121.229 121.229 121.404 -0.175 25446 822 1 3 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.000 -0.104 25446 823 1 3 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.464 0.778 25446 824 1 3 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.022 0.709 25446 825 1 3 . 1 1 8 8 ALA H H 8 8.946 8.946 8.051 0.895 25446 826 1 3 . 1 1 9 9 GLN N N 9 114.998 114.998 119.372 -4.374 25446 827 1 3 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.044 -0.171 25446 828 1 3 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.083 -0.124 25446 829 1 3 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.826 -1.013 25446 830 1 3 . 1 1 9 9 GLN H H 9 7.731 7.731 8.278 -0.547 25446 831 1 3 . 1 1 10 10 PHE N N 10 120.075 120.075 120.392 -0.317 25446 832 1 3 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.146 -0.068 25446 833 1 3 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.601 -0.748 25446 834 1 3 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.275 -0.452 25446 835 1 3 . 1 1 10 10 PHE H H 10 7.299 7.299 8.756 -1.457 25446 836 1 3 . 1 1 11 11 VAL N N 11 117.458 117.458 116.433 1.025 25446 837 1 3 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.703 -0.396 25446 838 1 3 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.884 0.560 25446 839 1 3 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.700 -0.012 25446 840 1 3 . 1 1 11 11 VAL H H 11 8.363 8.363 8.184 0.179 25446 841 1 3 . 1 1 12 12 VAL N N 12 117.722 117.722 120.646 -2.924 25446 842 1 3 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.781 -0.034 25446 843 1 3 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.142 -1.223 25446 844 1 3 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.935 0.332 25446 845 1 3 . 1 1 12 12 VAL H H 12 8.289 8.289 8.466 -0.177 25446 846 1 3 . 1 1 13 13 GLU N N 13 117.827 117.827 117.922 -0.095 25446 847 1 3 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.960 -0.218 25446 848 1 3 . 1 1 13 13 GLU CA C 13 59.193 59.193 58.767 0.425 25446 849 1 3 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.359 0.135 25446 850 1 3 . 1 1 13 13 GLU H H 13 7.758 7.758 7.737 0.021 25446 851 1 3 . 1 1 14 14 GLU N N 14 113.425 113.425 117.193 -3.768 25446 852 1 3 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.771 0.001 25446 853 1 3 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.016 -1.409 25446 854 1 3 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.100 0.399 25446 855 1 3 . 1 1 14 14 GLU H H 14 7.604 7.604 7.358 0.246 25446 856 1 3 . 1 1 15 15 PHE N N 15 114.097 114.097 116.344 -2.247 25446 857 1 3 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.562 0.379 25446 858 1 3 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.200 -1.207 25446 859 1 3 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.367 1.625 25446 860 1 3 . 1 1 15 15 PHE H H 15 7.916 7.916 7.005 0.911 25446 861 1 3 . 1 1 16 16 LEU N N 16 121.405 121.405 119.909 1.496 25446 862 1 3 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.831 0.136 25446 863 1 3 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.239 0.078 25446 864 1 3 . 1 1 16 16 LEU CB C 16 44.735 44.735 44.308 0.427 25446 865 1 3 . 1 1 16 16 LEU H H 16 8.046 8.046 8.408 -0.362 25446 866 1 3 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.550 -0.176 25446 867 1 3 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.402 1.263 25446 868 1 3 . 1 1 18 18 ASP N N 18 116.413 116.413 118.155 -1.742 25446 869 1 3 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.596 -0.012 25446 870 1 3 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.535 0.055 25446 871 1 3 . 1 1 18 18 ASP H H 18 8.415 8.415 8.665 -0.250 25446 872 1 3 . 1 1 19 19 VAL N N 19 122.077 122.077 119.911 2.166 25446 873 1 3 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.154 -0.041 25446 874 1 3 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.855 0.492 25446 875 1 3 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.556 -1.169 25446 876 1 3 . 1 1 19 19 VAL H H 19 7.771 7.771 7.184 0.587 25446 877 1 3 . 1 1 20 20 ALA N N 20 129.197 129.197 128.645 0.552 25446 878 1 3 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.375 0.213 25446 879 1 3 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.812 -0.584 25446 880 1 3 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.048 -0.625 25446 881 1 3 . 1 1 20 20 ALA H H 20 8.765 8.765 8.534 0.231 25446 882 1 3 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.218 -0.144 25446 883 1 3 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.108 1.033 25446 884 1 3 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.953 -0.615 25446 885 1 3 . 1 1 22 22 ALA N N 22 115.949 115.949 118.389 -2.440 25446 886 1 3 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.196 -0.079 25446 887 1 3 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.807 -0.024 25446 888 1 3 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.287 0.465 25446 889 1 3 . 1 1 22 22 ALA H H 22 8.074 8.074 7.985 0.089 25446 890 1 3 . 1 1 23 23 ASP N N 23 115.451 115.451 117.594 -2.143 25446 891 1 3 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.733 -0.081 25446 892 1 3 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.226 0.218 25446 893 1 3 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.022 0.118 25446 894 1 3 . 1 1 23 23 ASP H H 23 8.023 8.023 7.750 0.273 25446 895 1 3 . 1 1 24 24 VAL N N 24 121.382 121.382 120.645 0.737 25446 896 1 3 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.088 -0.260 25446 897 1 3 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.417 0.894 25446 898 1 3 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.916 -1.052 25446 899 1 3 . 1 1 24 24 VAL H H 24 7.072 7.072 7.299 -0.227 25446 900 1 3 . 1 1 25 25 ASP N N 25 129.258 129.258 126.690 2.568 25446 901 1 3 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.594 -0.022 25446 902 1 3 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.935 0.535 25446 903 1 3 . 1 1 25 25 ASP H H 25 8.499 8.499 8.821 -0.322 25446 904 1 3 . 1 1 26 26 VAL N N 26 121.736 121.736 118.966 2.770 25446 905 1 3 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.930 0.178 25446 906 1 3 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.810 0.665 25446 907 1 3 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.250 -0.033 25446 908 1 3 . 1 1 26 26 VAL H H 26 8.566 8.566 8.132 0.434 25446 909 1 3 . 1 1 27 27 ASP N N 27 116.233 116.233 118.656 -2.423 25446 910 1 3 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.770 0.384 25446 911 1 3 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.364 -0.241 25446 912 1 3 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.173 1.419 25446 913 1 3 . 1 1 27 27 ASP H H 27 8.638 8.638 7.763 0.875 25446 914 1 3 . 1 1 28 28 LEU N N 28 125.046 125.046 122.115 2.931 25446 915 1 3 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.445 -0.419 25446 916 1 3 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.534 1.333 25446 917 1 3 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.931 -0.523 25446 918 1 3 . 1 1 28 28 LEU H H 28 7.389 7.389 7.612 -0.223 25446 919 1 3 . 1 1 29 29 ASP N N 29 125.807 125.807 124.625 1.182 25446 920 1 3 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.640 0.191 25446 921 1 3 . 1 1 29 29 ASP H H 29 8.731 8.731 8.534 0.197 25446 922 1 3 . 1 1 30 30 LEU N N 30 130.007 130.007 121.184 8.823 25446 923 1 3 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.370 -0.472 25446 924 1 3 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.258 0.161 25446 925 1 3 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.501 0.622 25446 926 1 3 . 1 1 30 30 LEU H H 30 9.744 9.744 8.399 1.345 25446 927 1 3 . 1 1 31 31 VAL N N 31 121.093 121.093 122.363 -1.270 25446 928 1 3 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.643 0.583 25446 929 1 3 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.889 -1.498 25446 930 1 3 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.325 0.856 25446 931 1 3 . 1 1 31 31 VAL H H 31 8.166 8.166 7.870 0.296 25446 932 1 3 . 1 1 32 32 ASP N N 32 124.657 124.657 119.500 5.157 25446 933 1 3 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.381 -0.017 25446 934 1 3 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.982 0.137 25446 935 1 3 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.144 0.616 25446 936 1 3 . 1 1 32 32 ASP H H 32 9.365 9.365 8.002 1.363 25446 937 1 3 . 1 1 33 33 ASN N N 33 111.260 111.260 117.890 -6.630 25446 938 1 3 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.632 0.108 25446 939 1 3 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.970 0.842 25446 940 1 3 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.037 1.069 25446 941 1 3 . 1 1 33 33 ASN H H 33 7.423 7.423 7.972 -0.549 25446 942 1 3 . 1 1 34 34 GLY N N 34 106.935 106.935 109.739 -2.804 25446 943 1 3 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.076 -0.452 25446 944 1 3 . 1 1 34 34 GLY H H 34 7.648 7.648 8.529 -0.881 25446 945 1 3 . 1 1 35 35 VAL N N 35 120.307 120.307 122.911 -2.604 25446 946 1 3 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.581 0.199 25446 947 1 3 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.550 0.475 25446 948 1 3 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.371 0.418 25446 949 1 3 . 1 1 35 35 VAL H H 35 7.838 7.838 7.404 0.434 25446 950 1 3 . 1 1 36 36 ILE N N 36 116.154 116.154 119.670 -3.516 25446 951 1 3 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.773 -0.014 25446 952 1 3 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.872 -3.296 25446 953 1 3 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.697 1.528 25446 954 1 3 . 1 1 36 36 ILE H H 36 7.337 7.337 8.544 -1.207 25446 955 1 3 . 1 1 37 37 ASP N N 37 126.730 126.730 120.226 6.504 25446 956 1 3 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.713 1.016 25446 957 1 3 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.655 -5.018 25446 958 1 3 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.060 1.191 25446 959 1 3 . 1 1 37 37 ASP H H 37 7.921 7.921 8.143 -0.222 25446 960 1 3 . 1 1 38 38 SER N N 38 113.176 113.176 113.861 -0.685 25446 961 1 3 . 1 1 38 38 SER HA H 38 4.122 4.122 4.541 -0.419 25446 962 1 3 . 1 1 38 38 SER CA C 38 61.062 61.062 59.893 1.169 25446 963 1 3 . 1 1 39 39 LEU N N 39 122.521 122.521 122.576 -0.055 25446 964 1 3 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.218 0.055 25446 965 1 3 . 1 1 39 39 LEU CA C 39 57.370 57.370 57.738 -0.368 25446 966 1 3 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.265 -0.006 25446 967 1 3 . 1 1 39 39 LEU H H 39 7.675 7.675 7.774 -0.099 25446 968 1 3 . 1 1 40 40 GLY N N 40 111.971 111.971 106.903 5.068 25446 969 1 3 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.017 1.103 25446 970 1 3 . 1 1 40 40 GLY H H 40 8.776 8.776 7.669 1.107 25446 971 1 3 . 1 1 41 41 LEU N N 41 122.579 122.579 123.467 -0.888 25446 972 1 3 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.140 -0.295 25446 973 1 3 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.857 0.408 25446 974 1 3 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.062 -0.483 25446 975 1 3 . 1 1 41 41 LEU H H 41 8.551 8.551 8.467 0.084 25446 976 1 3 . 1 1 42 42 LEU N N 42 116.126 116.126 119.153 -3.027 25446 977 1 3 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.983 0.026 25446 978 1 3 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.374 -0.273 25446 979 1 3 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.773 -0.826 25446 980 1 3 . 1 1 42 42 LEU H H 42 7.213 7.213 7.786 -0.573 25446 981 1 3 . 1 1 43 43 LYS N N 43 119.793 119.793 119.479 0.314 25446 982 1 3 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.057 0.225 25446 983 1 3 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.840 -0.270 25446 984 1 3 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.263 0.274 25446 985 1 3 . 1 1 43 43 LYS H H 43 7.664 7.664 7.526 0.138 25446 986 1 3 . 1 1 44 44 VAL N N 44 121.147 121.147 120.447 0.700 25446 987 1 3 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.097 -0.160 25446 988 1 3 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.917 -0.099 25446 989 1 3 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.333 0.226 25446 990 1 3 . 1 1 44 44 VAL H H 44 8.278 8.278 8.526 -0.248 25446 991 1 3 . 1 1 45 45 ILE N N 45 119.222 119.222 120.993 -1.771 25446 992 1 3 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.779 -0.374 25446 993 1 3 . 1 1 45 45 ILE CA C 45 66.061 66.061 65.149 0.912 25446 994 1 3 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.295 0.943 25446 995 1 3 . 1 1 45 45 ILE H H 45 8.127 8.127 7.734 0.393 25446 996 1 3 . 1 1 46 46 ALA N N 46 121.011 121.011 122.995 -1.984 25446 997 1 3 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.146 0.086 25446 998 1 3 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.033 -0.073 25446 999 1 3 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.573 -0.233 25446 1000 1 3 . 1 1 46 46 ALA H H 46 7.811 7.811 7.704 0.107 25446 1001 1 3 . 1 1 47 47 TRP N N 47 121.158 121.158 121.536 -0.378 25446 1002 1 3 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.426 -0.191 25446 1003 1 3 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.686 1.148 25446 1004 1 3 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.669 -1.449 25446 1005 1 3 . 1 1 47 47 TRP H H 47 8.094 8.094 8.688 -0.594 25446 1006 1 3 . 1 1 48 48 LEU N N 48 118.890 118.890 121.511 -2.621 25446 1007 1 3 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.999 0.574 25446 1008 1 3 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.728 -0.536 25446 1009 1 3 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.698 0.556 25446 1010 1 3 . 1 1 48 48 LEU H H 48 8.704 8.704 9.094 -0.390 25446 1011 1 3 . 1 1 49 49 GLU N N 49 118.917 118.917 119.025 -0.108 25446 1012 1 3 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.127 -0.081 25446 1013 1 3 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.247 0.461 25446 1014 1 3 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.432 0.184 25446 1015 1 3 . 1 1 49 49 GLU H H 49 7.808 7.808 8.132 -0.324 25446 1016 1 3 . 1 1 50 50 ASP N N 50 119.614 119.614 118.790 0.824 25446 1017 1 3 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.387 -0.147 25446 1018 1 3 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.652 0.357 25446 1019 1 3 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.681 1.696 25446 1020 1 3 . 1 1 50 50 ASP H H 50 7.677 7.677 7.827 -0.150 25446 1021 1 3 . 1 1 51 51 ARG N N 51 116.918 116.918 117.914 -0.996 25446 1022 1 3 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.006 -0.281 25446 1023 1 3 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.050 -1.762 25446 1024 1 3 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.587 -1.303 25446 1025 1 3 . 1 1 51 51 ARG H H 51 8.876 8.876 7.673 1.203 25446 1026 1 3 . 1 1 52 52 PHE N N 52 112.278 112.278 114.681 -2.403 25446 1027 1 3 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.541 0.116 25446 1028 1 3 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.374 -1.324 25446 1029 1 3 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.452 1.300 25446 1030 1 3 . 1 1 52 52 PHE H H 52 7.330 7.330 7.860 -0.530 25446 1031 1 3 . 1 1 53 53 GLY N N 53 109.717 109.717 108.779 0.938 25446 1032 1 3 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.618 1.028 25446 1033 1 3 . 1 1 53 53 GLY H H 53 7.411 7.411 7.947 -0.536 25446 1034 1 3 . 1 1 54 54 ILE N N 54 119.148 119.148 120.767 -1.619 25446 1035 1 3 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.160 -0.217 25446 1036 1 3 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.128 0.472 25446 1037 1 3 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.414 0.095 25446 1038 1 3 . 1 1 54 54 ILE H H 54 6.901 6.901 7.210 -0.309 25446 1039 1 3 . 1 1 55 55 ALA N N 55 129.774 129.774 128.418 1.356 25446 1040 1 3 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.243 0.159 25446 1041 1 3 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.815 -1.167 25446 1042 1 3 . 1 1 55 55 ALA H H 55 8.538 8.538 8.404 0.134 25446 1043 1 3 . 1 1 56 56 ALA N N 56 126.034 126.034 123.630 2.404 25446 1044 1 3 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.145 0.128 25446 1045 1 3 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.393 0.219 25446 1046 1 3 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.005 0.117 25446 1047 1 3 . 1 1 56 56 ALA H H 56 8.620 8.620 8.448 0.172 25446 1048 1 3 . 1 1 57 57 ASP N N 57 115.649 115.649 116.725 -1.076 25446 1049 1 3 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.527 -0.051 25446 1050 1 3 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.845 0.325 25446 1051 1 3 . 1 1 57 57 ASP H H 57 8.321 8.321 8.277 0.044 25446 1052 1 3 . 1 1 58 58 ASP N N 58 118.298 118.298 118.766 -0.468 25446 1053 1 3 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.389 0.279 25446 1054 1 3 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.389 -0.587 25446 1055 1 3 . 1 1 58 58 ASP H H 58 7.971 7.971 8.451 -0.480 25446 1056 1 3 . 1 1 59 59 VAL N N 59 118.443 118.443 121.680 -3.237 25446 1057 1 3 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.366 -0.157 25446 1058 1 3 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.420 1.650 25446 1059 1 3 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.689 -1.359 25446 1060 1 3 . 1 1 59 59 VAL H H 59 7.700 7.700 8.116 -0.416 25446 1061 1 3 . 1 1 60 60 GLU N N 60 122.777 122.777 126.372 -3.595 25446 1062 1 3 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.476 -0.193 25446 1063 1 3 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.007 0.311 25446 1064 1 3 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.303 -0.426 25446 1065 1 3 . 1 1 60 60 GLU H H 60 8.416 8.416 8.468 -0.052 25446 1066 1 3 . 1 1 61 61 LEU N N 61 124.910 124.910 125.385 -0.475 25446 1067 1 3 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.625 -0.268 25446 1068 1 3 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.925 1.237 25446 1069 1 3 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.689 -1.844 25446 1070 1 3 . 1 1 61 61 LEU H H 61 8.249 8.249 8.587 -0.338 25446 1071 1 3 . 1 1 62 62 SER N N 62 118.228 118.228 117.872 0.356 25446 1072 1 3 . 1 1 62 62 SER HA H 62 4.816 4.816 4.888 -0.072 25446 1073 1 3 . 1 1 62 62 SER CB C 62 63.963 63.963 64.267 -0.305 25446 1074 1 3 . 1 1 62 62 SER H H 62 8.025 8.025 8.279 -0.254 25446 1075 1 3 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.546 -0.292 25446 1076 1 3 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.238 -0.344 25446 1077 1 3 . 1 1 64 64 GLU N N 64 116.457 116.457 118.086 -1.629 25446 1078 1 3 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.134 -0.267 25446 1079 1 3 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.284 -0.538 25446 1080 1 3 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.023 -0.316 25446 1081 1 3 . 1 1 64 64 GLU H H 64 8.310 8.310 9.049 -0.739 25446 1082 1 3 . 1 1 65 65 HIS N N 65 114.998 114.998 119.387 -4.389 25446 1083 1 3 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.280 0.017 25446 1084 1 3 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.581 -1.216 25446 1085 1 3 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.815 -0.208 25446 1086 1 3 . 1 1 65 65 HIS H H 65 7.324 7.324 7.795 -0.471 25446 1087 1 3 . 1 1 66 66 PHE N N 66 115.965 115.965 114.990 0.975 25446 1088 1 3 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.519 0.263 25446 1089 1 3 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.234 -2.568 25446 1090 1 3 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.532 0.452 25446 1091 1 3 . 1 1 66 66 PHE H H 66 7.245 7.245 7.580 -0.335 25446 1092 1 3 . 1 1 67 67 ARG N N 67 112.179 112.179 119.823 -7.644 25446 1093 1 3 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.996 0.088 25446 1094 1 3 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.139 0.152 25446 1095 1 3 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.859 0.778 25446 1096 1 3 . 1 1 67 67 ARG H H 67 6.632 6.632 7.634 -1.002 25446 1097 1 3 . 1 1 68 68 SER N N 68 109.181 109.181 108.274 0.907 25446 1098 1 3 . 1 1 68 68 SER HA H 68 4.985 4.985 4.687 0.298 25446 1099 1 3 . 1 1 68 68 SER CA C 68 55.664 55.664 56.155 -0.491 25446 1100 1 3 . 1 1 68 68 SER CB C 68 67.608 67.608 66.376 1.232 25446 1101 1 3 . 1 1 68 68 SER H H 68 8.139 8.139 7.368 0.771 25446 1102 1 3 . 1 1 69 69 ILE N N 69 122.526 122.526 123.387 -0.861 25446 1103 1 3 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.765 -0.083 25446 1104 1 3 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.373 2.365 25446 1105 1 3 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.727 -0.739 25446 1106 1 3 . 1 1 69 69 ILE H H 69 9.770 9.770 8.818 0.952 25446 1107 1 3 . 1 1 70 70 ARG N N 70 118.671 118.671 120.233 -1.562 25446 1108 1 3 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.117 -0.149 25446 1109 1 3 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.551 0.778 25446 1110 1 3 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.712 0.588 25446 1111 1 3 . 1 1 70 70 ARG H H 70 8.860 8.860 8.275 0.585 25446 1112 1 3 . 1 1 71 71 SER N N 71 117.722 117.722 114.234 3.488 25446 1113 1 3 . 1 1 71 71 SER HA H 71 4.346 4.346 4.106 0.240 25446 1114 1 3 . 1 1 71 71 SER CB C 71 62.962 62.962 62.678 0.284 25446 1115 1 3 . 1 1 71 71 SER H H 71 8.534 8.534 7.432 1.102 25446 1116 1 3 . 1 1 72 72 ILE N N 72 127.380 127.380 121.589 5.791 25446 1117 1 3 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.549 0.376 25446 1118 1 3 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.105 1.640 25446 1119 1 3 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.666 -0.305 25446 1120 1 3 . 1 1 72 72 ILE H H 72 8.789 8.789 7.112 1.677 25446 1121 1 3 . 1 1 73 73 ASP N N 73 121.443 121.443 120.393 1.050 25446 1122 1 3 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.338 -0.326 25446 1123 1 3 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.696 1.404 25446 1124 1 3 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.895 3.785 25446 1125 1 3 . 1 1 73 73 ASP H H 73 8.699 8.699 8.134 0.565 25446 1126 1 3 . 1 1 74 74 ALA N N 74 118.799 118.799 122.332 -3.533 25446 1127 1 3 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.078 -0.039 25446 1128 1 3 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.418 -0.183 25446 1129 1 3 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.328 -0.379 25446 1130 1 3 . 1 1 74 74 ALA H H 74 8.042 8.042 7.726 0.316 25446 1131 1 3 . 1 1 75 75 PHE N N 75 121.125 121.125 119.531 1.594 25446 1132 1 3 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.228 -0.183 25446 1133 1 3 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.336 -0.385 25446 1134 1 3 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.343 -0.472 25446 1135 1 3 . 1 1 75 75 PHE H H 75 8.369 8.369 7.568 0.801 25446 1136 1 3 . 1 1 76 76 VAL N N 76 120.715 120.715 119.423 1.292 25446 1137 1 3 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.611 -0.661 25446 1138 1 3 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.877 -0.048 25446 1139 1 3 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.494 -0.268 25446 1140 1 3 . 1 1 76 76 VAL H H 76 8.555 8.555 8.244 0.311 25446 1141 1 3 . 1 1 77 77 VAL N N 77 121.286 121.286 119.441 1.845 25446 1142 1 3 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.866 -0.373 25446 1143 1 3 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.757 1.021 25446 1144 1 3 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.726 0.140 25446 1145 1 3 . 1 1 77 77 VAL H H 77 8.770 8.770 8.509 0.261 25446 1146 1 3 . 1 1 78 78 GLY N N 78 106.349 106.349 105.562 0.787 25446 1147 1 3 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.424 0.208 25446 1148 1 3 . 1 1 78 78 GLY H H 78 7.976 7.976 7.844 0.132 25446 1149 1 3 . 1 1 79 79 ALA N N 79 120.998 120.998 122.646 -1.648 25446 1150 1 3 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.394 -0.187 25446 1151 1 3 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.619 0.177 25446 1152 1 3 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.243 -0.977 25446 1153 1 3 . 1 1 79 79 ALA H H 79 7.647 7.647 7.221 0.426 25446 1154 1 3 . 1 1 80 80 THR N N 80 107.402 107.402 115.184 -7.782 25446 1155 1 3 . 1 1 80 80 THR HA H 80 4.454 4.454 4.383 0.071 25446 1156 1 3 . 1 1 80 80 THR CA C 80 61.337 61.337 61.843 -0.506 25446 1157 1 3 . 1 1 80 80 THR CB C 80 70.703 70.703 70.899 -0.196 25446 1158 1 3 . 1 1 80 80 THR H H 80 7.469 7.469 8.173 -0.704 25446 1159 1 3 . 1 1 81 81 THR N N 81 119.746 119.746 120.531 -0.785 25446 1160 1 3 . 1 1 81 81 THR HA H 81 4.668 4.668 4.804 -0.136 25446 1161 1 3 . 1 1 81 81 THR CA C 81 60.448 60.448 57.930 2.518 25446 1162 1 3 . 1 1 81 81 THR CB C 81 70.062 70.062 69.499 0.563 25446 1163 1 3 . 1 1 81 81 THR H H 81 7.684 7.684 8.316 -0.632 25446 1164 1 3 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.468 0.231 25446 1165 1 3 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.893 -0.283 25446 1166 1 3 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.387 0.617 25446 1167 1 3 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.423 0.050 25446 1168 1 3 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.978 -0.167 25446 1169 1 3 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.209 -0.128 25446 1170 1 3 . 1 1 84 84 VAL N N 84 120.611 120.611 120.490 0.121 25446 1171 1 3 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.584 -0.537 25446 1172 1 3 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.421 -0.108 25446 1173 1 3 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.879 -0.007 25446 1174 1 3 . 1 1 84 84 VAL H H 84 8.240 8.240 8.466 -0.226 25446 1175 1 3 . 1 1 85 85 GLU N N 85 125.076 125.076 127.559 -2.483 25446 1176 1 3 . 1 1 85 85 GLU H H 85 8.434 8.434 8.586 -0.152 25446 1177 1 3 . 1 1 86 86 ALA N N 86 126.280 126.280 123.790 2.490 25446 1178 1 3 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.727 -0.439 25446 1179 1 3 . 1 1 86 86 ALA H H 86 8.340 8.340 8.438 -0.098 25446 1180 1 3 . 1 1 87 87 LYS N N 87 121.709 121.709 122.641 -0.932 25446 1181 1 3 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.343 0.861 25446 1182 1 3 . 1 1 87 87 LYS H H 87 8.334 8.334 8.681 -0.347 25446 1183 1 3 . 1 1 88 88 LEU N N 88 125.379 125.379 116.025 9.354 25446 1184 1 3 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.126 -4.126 25446 1185 1 3 . 1 1 88 88 LEU H H 88 8.435 8.435 7.866 0.569 25446 1186 1 4 . 1 1 2 2 GLN N N 2 123.771 123.771 118.550 5.221 25446 1187 1 4 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.989 0.141 25446 1188 1 4 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.570 -1.021 25446 1189 1 4 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.947 1.215 25446 1190 1 4 . 1 1 2 2 GLN H H 2 9.634 9.634 8.198 1.436 25446 1191 1 4 . 1 1 3 3 HIS N N 3 119.013 119.013 113.716 5.297 25446 1192 1 4 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.815 0.369 25446 1193 1 4 . 1 1 3 3 HIS CA C 3 55.003 55.003 54.634 0.369 25446 1194 1 4 . 1 1 3 3 HIS CB C 3 31.088 31.088 30.317 0.771 25446 1195 1 4 . 1 1 3 3 HIS H H 3 9.946 9.946 8.654 1.292 25446 1196 1 4 . 1 1 4 4 ALA N N 4 122.550 122.550 124.007 -1.457 25446 1197 1 4 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.076 -0.185 25446 1198 1 4 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.694 0.867 25446 1199 1 4 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.339 0.453 25446 1200 1 4 . 1 1 4 4 ALA H H 4 7.524 7.524 8.010 -0.486 25446 1201 1 4 . 1 1 5 5 SER N N 5 112.310 112.310 114.521 -2.211 25446 1202 1 4 . 1 1 5 5 SER HA H 5 4.295 4.295 4.087 0.208 25446 1203 1 4 . 1 1 5 5 SER CA C 5 62.089 62.089 61.849 0.240 25446 1204 1 4 . 1 1 5 5 SER CB C 5 62.421 62.421 62.748 -0.327 25446 1205 1 4 . 1 1 5 5 SER H H 5 8.772 8.772 8.488 0.284 25446 1206 1 4 . 1 1 6 6 VAL N N 6 122.625 122.625 122.911 -0.286 25446 1207 1 4 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.763 0.348 25446 1208 1 4 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.302 -0.594 25446 1209 1 4 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.717 1.023 25446 1210 1 4 . 1 1 6 6 VAL H H 6 7.657 7.657 7.437 0.220 25446 1211 1 4 . 1 1 7 7 ILE N N 7 121.536 121.536 120.382 1.154 25446 1212 1 4 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.660 0.566 25446 1213 1 4 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.733 -0.440 25446 1214 1 4 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.459 1.172 25446 1215 1 4 . 1 1 7 7 ILE H H 7 8.526 8.526 7.826 0.700 25446 1216 1 4 . 1 1 8 8 ALA N N 8 121.229 121.229 121.597 -0.368 25446 1217 1 4 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.056 -0.160 25446 1218 1 4 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.576 0.666 25446 1219 1 4 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.239 0.492 25446 1220 1 4 . 1 1 8 8 ALA H H 8 8.946 8.946 8.672 0.274 25446 1221 1 4 . 1 1 9 9 GLN N N 9 114.998 114.998 119.384 -4.386 25446 1222 1 4 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.133 -0.260 25446 1223 1 4 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.424 0.535 25446 1224 1 4 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.276 -0.463 25446 1225 1 4 . 1 1 9 9 GLN H H 9 7.731 7.731 8.629 -0.898 25446 1226 1 4 . 1 1 10 10 PHE N N 10 120.075 120.075 122.313 -2.238 25446 1227 1 4 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.220 -0.142 25446 1228 1 4 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.596 -0.743 25446 1229 1 4 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.464 -0.641 25446 1230 1 4 . 1 1 10 10 PHE H H 10 7.299 7.299 8.816 -1.517 25446 1231 1 4 . 1 1 11 11 VAL N N 11 117.458 117.458 119.704 -2.246 25446 1232 1 4 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.890 -0.583 25446 1233 1 4 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.175 1.269 25446 1234 1 4 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.931 -0.243 25446 1235 1 4 . 1 1 11 11 VAL H H 11 8.363 8.363 8.145 0.218 25446 1236 1 4 . 1 1 12 12 VAL N N 12 117.722 117.722 120.055 -2.333 25446 1237 1 4 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.789 -0.042 25446 1238 1 4 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.086 -1.167 25446 1239 1 4 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.175 0.092 25446 1240 1 4 . 1 1 12 12 VAL H H 12 8.289 8.289 8.422 -0.133 25446 1241 1 4 . 1 1 13 13 GLU N N 13 117.827 117.827 119.678 -1.851 25446 1242 1 4 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.948 -0.206 25446 1243 1 4 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.246 -0.053 25446 1244 1 4 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.248 0.246 25446 1245 1 4 . 1 1 13 13 GLU H H 13 7.758 7.758 8.142 -0.384 25446 1246 1 4 . 1 1 14 14 GLU N N 14 113.425 113.425 117.882 -4.457 25446 1247 1 4 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.852 -0.080 25446 1248 1 4 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.161 -1.554 25446 1249 1 4 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.567 -0.068 25446 1250 1 4 . 1 1 14 14 GLU H H 14 7.604 7.604 7.663 -0.059 25446 1251 1 4 . 1 1 15 15 PHE N N 15 114.097 114.097 115.253 -1.156 25446 1252 1 4 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.537 0.404 25446 1253 1 4 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.665 -1.672 25446 1254 1 4 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.492 1.500 25446 1255 1 4 . 1 1 15 15 PHE H H 15 7.916 7.916 7.447 0.469 25446 1256 1 4 . 1 1 16 16 LEU N N 16 121.405 121.405 120.913 0.492 25446 1257 1 4 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.778 0.189 25446 1258 1 4 . 1 1 16 16 LEU CA C 16 52.317 52.317 51.785 0.532 25446 1259 1 4 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.706 1.029 25446 1260 1 4 . 1 1 16 16 LEU H H 16 8.046 8.046 8.205 -0.159 25446 1261 1 4 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.533 -0.159 25446 1262 1 4 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.225 1.440 25446 1263 1 4 . 1 1 18 18 ASP N N 18 116.413 116.413 118.595 -2.182 25446 1264 1 4 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.602 -0.018 25446 1265 1 4 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.507 0.083 25446 1266 1 4 . 1 1 18 18 ASP H H 18 8.415 8.415 8.753 -0.338 25446 1267 1 4 . 1 1 19 19 VAL N N 19 122.077 122.077 119.309 2.768 25446 1268 1 4 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.154 -0.041 25446 1269 1 4 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.005 0.342 25446 1270 1 4 . 1 1 19 19 VAL CB C 19 33.387 33.387 35.136 -1.749 25446 1271 1 4 . 1 1 19 19 VAL H H 19 7.771 7.771 7.099 0.672 25446 1272 1 4 . 1 1 20 20 ALA N N 20 129.197 129.197 128.095 1.102 25446 1273 1 4 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.378 0.210 25446 1274 1 4 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.883 -0.654 25446 1275 1 4 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.151 -0.728 25446 1276 1 4 . 1 1 20 20 ALA H H 20 8.765 8.765 8.446 0.319 25446 1277 1 4 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.255 -0.181 25446 1278 1 4 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.082 1.059 25446 1279 1 4 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.932 -0.594 25446 1280 1 4 . 1 1 22 22 ALA N N 22 115.949 115.949 118.833 -2.884 25446 1281 1 4 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.158 -0.041 25446 1282 1 4 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.134 -0.351 25446 1283 1 4 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.116 0.636 25446 1284 1 4 . 1 1 22 22 ALA H H 22 8.074 8.074 7.997 0.077 25446 1285 1 4 . 1 1 23 23 ASP N N 23 115.451 115.451 117.218 -1.767 25446 1286 1 4 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.631 0.021 25446 1287 1 4 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.891 0.553 25446 1288 1 4 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.544 -0.404 25446 1289 1 4 . 1 1 23 23 ASP H H 23 8.023 8.023 7.751 0.272 25446 1290 1 4 . 1 1 24 24 VAL N N 24 121.382 121.382 118.074 3.308 25446 1291 1 4 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.121 -0.293 25446 1292 1 4 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.644 0.667 25446 1293 1 4 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.135 -0.271 25446 1294 1 4 . 1 1 24 24 VAL H H 24 7.072 7.072 7.394 -0.322 25446 1295 1 4 . 1 1 25 25 ASP N N 25 129.258 129.258 125.984 3.274 25446 1296 1 4 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.600 -0.028 25446 1297 1 4 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.561 -0.091 25446 1298 1 4 . 1 1 25 25 ASP H H 25 8.499 8.499 8.664 -0.165 25446 1299 1 4 . 1 1 26 26 VAL N N 26 121.736 121.736 119.077 2.659 25446 1300 1 4 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.884 0.224 25446 1301 1 4 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.674 0.802 25446 1302 1 4 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.800 -0.583 25446 1303 1 4 . 1 1 26 26 VAL H H 26 8.566 8.566 8.084 0.482 25446 1304 1 4 . 1 1 27 27 ASP N N 27 116.233 116.233 117.337 -1.104 25446 1305 1 4 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.705 0.449 25446 1306 1 4 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.527 -0.404 25446 1307 1 4 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.508 2.084 25446 1308 1 4 . 1 1 27 27 ASP H H 27 8.638 8.638 7.920 0.718 25446 1309 1 4 . 1 1 28 28 LEU N N 28 125.046 125.046 122.181 2.865 25446 1310 1 4 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.495 -0.469 25446 1311 1 4 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.568 1.299 25446 1312 1 4 . 1 1 28 28 LEU CB C 28 43.408 43.408 44.028 -0.620 25446 1313 1 4 . 1 1 28 28 LEU H H 28 7.389 7.389 7.538 -0.149 25446 1314 1 4 . 1 1 29 29 ASP N N 29 125.807 125.807 124.703 1.104 25446 1315 1 4 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.571 0.260 25446 1316 1 4 . 1 1 29 29 ASP H H 29 8.731 8.731 8.545 0.186 25446 1317 1 4 . 1 1 30 30 LEU N N 30 130.007 130.007 120.965 9.042 25446 1318 1 4 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.320 -0.422 25446 1319 1 4 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.659 -0.240 25446 1320 1 4 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.584 0.539 25446 1321 1 4 . 1 1 30 30 LEU H H 30 9.744 9.744 8.351 1.393 25446 1322 1 4 . 1 1 31 31 VAL N N 31 121.093 121.093 122.223 -1.130 25446 1323 1 4 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.593 0.633 25446 1324 1 4 . 1 1 31 31 VAL CA C 31 64.391 64.391 67.009 -2.618 25446 1325 1 4 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.476 0.705 25446 1326 1 4 . 1 1 31 31 VAL H H 31 8.166 8.166 7.910 0.256 25446 1327 1 4 . 1 1 32 32 ASP N N 32 124.657 124.657 119.827 4.830 25446 1328 1 4 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.357 0.007 25446 1329 1 4 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.926 0.193 25446 1330 1 4 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.989 0.771 25446 1331 1 4 . 1 1 32 32 ASP H H 32 9.365 9.365 8.012 1.353 25446 1332 1 4 . 1 1 33 33 ASN N N 33 111.260 111.260 117.799 -6.539 25446 1333 1 4 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.633 0.107 25446 1334 1 4 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.732 1.080 25446 1335 1 4 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.800 1.306 25446 1336 1 4 . 1 1 33 33 ASN H H 33 7.423 7.423 7.798 -0.375 25446 1337 1 4 . 1 1 34 34 GLY N N 34 106.935 106.935 109.557 -2.622 25446 1338 1 4 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.048 -0.424 25446 1339 1 4 . 1 1 34 34 GLY H H 34 7.648 7.648 8.711 -1.063 25446 1340 1 4 . 1 1 35 35 VAL N N 35 120.307 120.307 122.626 -2.319 25446 1341 1 4 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.657 0.123 25446 1342 1 4 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.965 0.060 25446 1343 1 4 . 1 1 35 35 VAL CB C 35 31.789 31.789 32.061 -0.272 25446 1344 1 4 . 1 1 35 35 VAL H H 35 7.838 7.838 7.409 0.429 25446 1345 1 4 . 1 1 36 36 ILE N N 36 116.154 116.154 118.600 -2.446 25446 1346 1 4 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.846 -0.087 25446 1347 1 4 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.872 -3.296 25446 1348 1 4 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.749 1.476 25446 1349 1 4 . 1 1 36 36 ILE H H 36 7.337 7.337 8.674 -1.337 25446 1350 1 4 . 1 1 37 37 ASP N N 37 126.730 126.730 120.247 6.483 25446 1351 1 4 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.935 0.794 25446 1352 1 4 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.785 -5.148 25446 1353 1 4 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.297 0.954 25446 1354 1 4 . 1 1 37 37 ASP H H 37 7.921 7.921 8.204 -0.283 25446 1355 1 4 . 1 1 38 38 SER N N 38 113.176 113.176 113.940 -0.764 25446 1356 1 4 . 1 1 38 38 SER HA H 38 4.122 4.122 4.534 -0.412 25446 1357 1 4 . 1 1 38 38 SER CA C 38 61.062 61.062 60.285 0.777 25446 1358 1 4 . 1 1 39 39 LEU N N 39 122.521 122.521 122.300 0.221 25446 1359 1 4 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.176 0.097 25446 1360 1 4 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.117 -0.747 25446 1361 1 4 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.083 -0.824 25446 1362 1 4 . 1 1 39 39 LEU H H 39 7.675 7.675 7.710 -0.035 25446 1363 1 4 . 1 1 40 40 GLY N N 40 111.971 111.971 106.846 5.125 25446 1364 1 4 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.987 1.133 25446 1365 1 4 . 1 1 40 40 GLY H H 40 8.776 8.776 7.605 1.171 25446 1366 1 4 . 1 1 41 41 LEU N N 41 122.579 122.579 123.565 -0.986 25446 1367 1 4 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.053 -0.208 25446 1368 1 4 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.869 0.396 25446 1369 1 4 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.018 -0.439 25446 1370 1 4 . 1 1 41 41 LEU H H 41 8.551 8.551 8.697 -0.146 25446 1371 1 4 . 1 1 42 42 LEU N N 42 116.126 116.126 119.370 -3.244 25446 1372 1 4 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.942 0.067 25446 1373 1 4 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.306 -0.205 25446 1374 1 4 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.664 -0.717 25446 1375 1 4 . 1 1 42 42 LEU H H 42 7.213 7.213 7.670 -0.457 25446 1376 1 4 . 1 1 43 43 LYS N N 43 119.793 119.793 119.144 0.649 25446 1377 1 4 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.062 0.220 25446 1378 1 4 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.000 -0.430 25446 1379 1 4 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.385 0.152 25446 1380 1 4 . 1 1 43 43 LYS H H 43 7.664 7.664 7.465 0.199 25446 1381 1 4 . 1 1 44 44 VAL N N 44 121.147 121.147 121.707 -0.560 25446 1382 1 4 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.028 -0.091 25446 1383 1 4 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.429 -0.611 25446 1384 1 4 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.934 -0.375 25446 1385 1 4 . 1 1 44 44 VAL H H 44 8.278 8.278 8.466 -0.188 25446 1386 1 4 . 1 1 45 45 ILE N N 45 119.222 119.222 119.782 -0.560 25446 1387 1 4 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.777 -0.372 25446 1388 1 4 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.219 2.842 25446 1389 1 4 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.953 2.286 25446 1390 1 4 . 1 1 45 45 ILE H H 45 8.127 8.127 8.450 -0.323 25446 1391 1 4 . 1 1 46 46 ALA N N 46 121.011 121.011 123.286 -2.275 25446 1392 1 4 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.197 0.035 25446 1393 1 4 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.926 0.034 25446 1394 1 4 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.726 -0.386 25446 1395 1 4 . 1 1 46 46 ALA H H 46 7.811 7.811 7.900 -0.089 25446 1396 1 4 . 1 1 47 47 TRP N N 47 121.158 121.158 121.109 0.049 25446 1397 1 4 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.421 -0.186 25446 1398 1 4 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.488 1.346 25446 1399 1 4 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.783 -1.563 25446 1400 1 4 . 1 1 47 47 TRP H H 47 8.094 8.094 8.464 -0.370 25446 1401 1 4 . 1 1 48 48 LEU N N 48 118.890 118.890 121.518 -2.628 25446 1402 1 4 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.924 0.649 25446 1403 1 4 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.562 -0.370 25446 1404 1 4 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.635 0.620 25446 1405 1 4 . 1 1 48 48 LEU H H 48 8.704 8.704 9.040 -0.336 25446 1406 1 4 . 1 1 49 49 GLU N N 49 118.917 118.917 119.324 -0.407 25446 1407 1 4 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.108 -0.062 25446 1408 1 4 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.340 0.368 25446 1409 1 4 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.436 0.179 25446 1410 1 4 . 1 1 49 49 GLU H H 49 7.808 7.808 8.026 -0.218 25446 1411 1 4 . 1 1 50 50 ASP N N 50 119.614 119.614 118.383 1.231 25446 1412 1 4 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.386 -0.146 25446 1413 1 4 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.596 0.413 25446 1414 1 4 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.065 1.312 25446 1415 1 4 . 1 1 50 50 ASP H H 50 7.677 7.677 7.491 0.186 25446 1416 1 4 . 1 1 51 51 ARG N N 51 116.918 116.918 117.806 -0.888 25446 1417 1 4 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.071 -0.346 25446 1418 1 4 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.140 -1.852 25446 1419 1 4 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.707 -1.423 25446 1420 1 4 . 1 1 51 51 ARG H H 51 8.876 8.876 7.629 1.247 25446 1421 1 4 . 1 1 52 52 PHE N N 52 112.278 112.278 114.748 -2.470 25446 1422 1 4 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.530 0.127 25446 1423 1 4 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.503 -1.453 25446 1424 1 4 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.750 1.002 25446 1425 1 4 . 1 1 52 52 PHE H H 52 7.330 7.330 7.830 -0.500 25446 1426 1 4 . 1 1 53 53 GLY N N 53 109.717 109.717 108.515 1.202 25446 1427 1 4 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.524 1.122 25446 1428 1 4 . 1 1 53 53 GLY H H 53 7.411 7.411 7.781 -0.370 25446 1429 1 4 . 1 1 54 54 ILE N N 54 119.148 119.148 121.564 -2.416 25446 1430 1 4 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.136 -0.193 25446 1431 1 4 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.370 0.230 25446 1432 1 4 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.792 0.717 25446 1433 1 4 . 1 1 54 54 ILE H H 54 6.901 6.901 7.207 -0.306 25446 1434 1 4 . 1 1 55 55 ALA N N 55 129.774 129.774 128.868 0.906 25446 1435 1 4 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.229 0.173 25446 1436 1 4 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.621 -0.973 25446 1437 1 4 . 1 1 55 55 ALA H H 55 8.538 8.538 8.661 -0.123 25446 1438 1 4 . 1 1 56 56 ALA N N 56 126.034 126.034 125.670 0.364 25446 1439 1 4 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.103 0.170 25446 1440 1 4 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.662 -1.050 25446 1441 1 4 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.611 0.511 25446 1442 1 4 . 1 1 56 56 ALA H H 56 8.620 8.620 8.913 -0.293 25446 1443 1 4 . 1 1 57 57 ASP N N 57 115.649 115.649 115.158 0.491 25446 1444 1 4 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.624 -0.148 25446 1445 1 4 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.101 1.069 25446 1446 1 4 . 1 1 57 57 ASP H H 57 8.321 8.321 8.379 -0.058 25446 1447 1 4 . 1 1 58 58 ASP N N 58 118.298 118.298 120.323 -2.025 25446 1448 1 4 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.470 0.198 25446 1449 1 4 . 1 1 58 58 ASP CA C 58 54.802 54.802 56.159 -1.357 25446 1450 1 4 . 1 1 58 58 ASP H H 58 7.971 7.971 7.819 0.152 25446 1451 1 4 . 1 1 59 59 VAL N N 59 118.443 118.443 112.288 6.155 25446 1452 1 4 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.463 -0.254 25446 1453 1 4 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.485 1.585 25446 1454 1 4 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.059 -1.729 25446 1455 1 4 . 1 1 59 59 VAL H H 59 7.700 7.700 7.372 0.328 25446 1456 1 4 . 1 1 60 60 GLU N N 60 122.777 122.777 122.869 -0.092 25446 1457 1 4 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.646 -0.363 25446 1458 1 4 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.467 0.851 25446 1459 1 4 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.220 -1.343 25446 1460 1 4 . 1 1 60 60 GLU H H 60 8.416 8.416 8.381 0.035 25446 1461 1 4 . 1 1 61 61 LEU N N 61 124.910 124.910 124.173 0.737 25446 1462 1 4 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.496 -0.139 25446 1463 1 4 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.085 1.077 25446 1464 1 4 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.256 -1.411 25446 1465 1 4 . 1 1 61 61 LEU H H 61 8.249 8.249 8.462 -0.213 25446 1466 1 4 . 1 1 62 62 SER N N 62 118.228 118.228 118.204 0.024 25446 1467 1 4 . 1 1 62 62 SER HA H 62 4.816 4.816 4.938 -0.122 25446 1468 1 4 . 1 1 62 62 SER CB C 62 63.963 63.963 64.788 -0.825 25446 1469 1 4 . 1 1 62 62 SER H H 62 8.025 8.025 8.187 -0.162 25446 1470 1 4 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.520 -0.266 25446 1471 1 4 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.278 -0.384 25446 1472 1 4 . 1 1 64 64 GLU N N 64 116.457 116.457 118.251 -1.794 25446 1473 1 4 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.148 -0.281 25446 1474 1 4 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.639 0.107 25446 1475 1 4 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.709 -0.002 25446 1476 1 4 . 1 1 64 64 GLU H H 64 8.310 8.310 8.286 0.024 25446 1477 1 4 . 1 1 65 65 HIS N N 65 114.998 114.998 119.994 -4.996 25446 1478 1 4 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.276 0.021 25446 1479 1 4 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.376 -1.011 25446 1480 1 4 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.579 0.028 25446 1481 1 4 . 1 1 65 65 HIS H H 65 7.324 7.324 7.668 -0.344 25446 1482 1 4 . 1 1 66 66 PHE N N 66 115.965 115.965 115.432 0.533 25446 1483 1 4 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.471 0.311 25446 1484 1 4 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.535 -2.869 25446 1485 1 4 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.495 0.489 25446 1486 1 4 . 1 1 66 66 PHE H H 66 7.245 7.245 7.560 -0.315 25446 1487 1 4 . 1 1 67 67 ARG N N 67 112.179 112.179 119.781 -7.602 25446 1488 1 4 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.049 0.035 25446 1489 1 4 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.108 0.183 25446 1490 1 4 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.834 0.803 25446 1491 1 4 . 1 1 67 67 ARG H H 67 6.632 6.632 7.556 -0.924 25446 1492 1 4 . 1 1 68 68 SER N N 68 109.181 109.181 109.182 -0.001 25446 1493 1 4 . 1 1 68 68 SER HA H 68 4.985 4.985 4.687 0.298 25446 1494 1 4 . 1 1 68 68 SER CA C 68 55.664 55.664 56.413 -0.749 25446 1495 1 4 . 1 1 68 68 SER CB C 68 67.608 67.608 65.629 1.979 25446 1496 1 4 . 1 1 68 68 SER H H 68 8.139 8.139 7.378 0.761 25446 1497 1 4 . 1 1 69 69 ILE N N 69 122.526 122.526 122.554 -0.028 25446 1498 1 4 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.723 -0.041 25446 1499 1 4 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.317 1.421 25446 1500 1 4 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.708 -0.720 25446 1501 1 4 . 1 1 69 69 ILE H H 69 9.770 9.770 8.846 0.924 25446 1502 1 4 . 1 1 70 70 ARG N N 70 118.671 118.671 118.849 -0.178 25446 1503 1 4 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.912 0.056 25446 1504 1 4 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.670 0.659 25446 1505 1 4 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.522 0.778 25446 1506 1 4 . 1 1 70 70 ARG H H 70 8.860 8.860 8.157 0.703 25446 1507 1 4 . 1 1 71 71 SER N N 71 117.722 117.722 115.125 2.597 25446 1508 1 4 . 1 1 71 71 SER HA H 71 4.346 4.346 4.132 0.214 25446 1509 1 4 . 1 1 71 71 SER CB C 71 62.962 62.962 62.660 0.302 25446 1510 1 4 . 1 1 71 71 SER H H 71 8.534 8.534 7.533 1.001 25446 1511 1 4 . 1 1 72 72 ILE N N 72 127.380 127.380 121.813 5.567 25446 1512 1 4 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.673 0.252 25446 1513 1 4 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.753 1.992 25446 1514 1 4 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.668 -0.307 25446 1515 1 4 . 1 1 72 72 ILE H H 72 8.789 8.789 7.153 1.636 25446 1516 1 4 . 1 1 73 73 ASP N N 73 121.443 121.443 120.738 0.705 25446 1517 1 4 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.351 -0.339 25446 1518 1 4 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.349 1.751 25446 1519 1 4 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.570 3.110 25446 1520 1 4 . 1 1 73 73 ASP H H 73 8.699 8.699 7.954 0.745 25446 1521 1 4 . 1 1 74 74 ALA N N 74 118.799 118.799 122.058 -3.259 25446 1522 1 4 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.014 0.025 25446 1523 1 4 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.370 -0.135 25446 1524 1 4 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.412 -0.463 25446 1525 1 4 . 1 1 74 74 ALA H H 74 8.042 8.042 7.607 0.435 25446 1526 1 4 . 1 1 75 75 PHE N N 75 121.125 121.125 119.500 1.625 25446 1527 1 4 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.131 -0.086 25446 1528 1 4 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.593 -0.642 25446 1529 1 4 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.461 -0.590 25446 1530 1 4 . 1 1 75 75 PHE H H 75 8.369 8.369 7.808 0.561 25446 1531 1 4 . 1 1 76 76 VAL N N 76 120.715 120.715 119.454 1.261 25446 1532 1 4 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.396 -0.446 25446 1533 1 4 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.249 -0.420 25446 1534 1 4 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.818 -0.591 25446 1535 1 4 . 1 1 76 76 VAL H H 76 8.555 8.555 8.524 0.031 25446 1536 1 4 . 1 1 77 77 VAL N N 77 121.286 121.286 119.279 2.007 25446 1537 1 4 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.960 -0.467 25446 1538 1 4 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.691 1.087 25446 1539 1 4 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.844 0.022 25446 1540 1 4 . 1 1 77 77 VAL H H 77 8.770 8.770 8.348 0.422 25446 1541 1 4 . 1 1 78 78 GLY N N 78 106.349 106.349 105.159 1.190 25446 1542 1 4 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.355 0.277 25446 1543 1 4 . 1 1 78 78 GLY H H 78 7.976 7.976 7.934 0.042 25446 1544 1 4 . 1 1 79 79 ALA N N 79 120.998 120.998 121.857 -0.859 25446 1545 1 4 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.355 -0.148 25446 1546 1 4 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.581 0.215 25446 1547 1 4 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.335 -1.069 25446 1548 1 4 . 1 1 79 79 ALA H H 79 7.647 7.647 7.170 0.477 25446 1549 1 4 . 1 1 80 80 THR N N 80 107.402 107.402 110.791 -3.389 25446 1550 1 4 . 1 1 80 80 THR HA H 80 4.454 4.454 4.506 -0.052 25446 1551 1 4 . 1 1 80 80 THR CA C 80 61.337 61.337 61.317 0.020 25446 1552 1 4 . 1 1 80 80 THR CB C 80 70.703 70.703 70.327 0.376 25446 1553 1 4 . 1 1 80 80 THR H H 80 7.469 7.469 8.081 -0.612 25446 1554 1 4 . 1 1 81 81 THR N N 81 119.746 119.746 117.783 1.963 25446 1555 1 4 . 1 1 81 81 THR HA H 81 4.668 4.668 4.521 0.147 25446 1556 1 4 . 1 1 81 81 THR CA C 81 60.448 60.448 58.390 2.058 25446 1557 1 4 . 1 1 81 81 THR CB C 81 70.062 70.062 69.382 0.680 25446 1558 1 4 . 1 1 81 81 THR H H 81 7.684 7.684 8.316 -0.632 25446 1559 1 4 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.740 -0.041 25446 1560 1 4 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.815 0.796 25446 1561 1 4 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.150 -0.146 25446 1562 1 4 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.443 0.030 25446 1563 1 4 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.935 -0.124 25446 1564 1 4 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.517 -0.436 25446 1565 1 4 . 1 1 84 84 VAL N N 84 120.611 120.611 121.688 -1.077 25446 1566 1 4 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.438 -0.391 25446 1567 1 4 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.855 1.458 25446 1568 1 4 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.809 -1.937 25446 1569 1 4 . 1 1 84 84 VAL H H 84 8.240 8.240 8.160 0.080 25446 1570 1 4 . 1 1 85 85 GLU N N 85 125.076 125.076 126.479 -1.403 25446 1571 1 4 . 1 1 85 85 GLU H H 85 8.434 8.434 8.803 -0.369 25446 1572 1 4 . 1 1 86 86 ALA N N 86 126.280 126.280 121.044 5.236 25446 1573 1 4 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.348 0.940 25446 1574 1 4 . 1 1 86 86 ALA H H 86 8.340 8.340 7.491 0.849 25446 1575 1 4 . 1 1 87 87 LYS N N 87 121.709 121.709 115.651 6.058 25446 1576 1 4 . 1 1 87 87 LYS CB C 87 33.204 33.204 30.691 2.513 25446 1577 1 4 . 1 1 87 87 LYS H H 87 8.334 8.334 8.576 -0.242 25446 1578 1 4 . 1 1 88 88 LEU N N 88 125.379 125.379 118.674 6.705 25446 1579 1 4 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.964 -3.964 25446 1580 1 4 . 1 1 88 88 LEU H H 88 8.435 8.435 8.343 0.092 25446 1581 1 5 . 1 1 2 2 GLN N N 2 123.771 123.771 119.835 3.936 25446 1582 1 5 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.879 0.251 25446 1583 1 5 . 1 1 2 2 GLN CA C 2 57.549 57.549 57.411 0.138 25446 1584 1 5 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.884 1.278 25446 1585 1 5 . 1 1 2 2 GLN H H 2 9.634 9.634 8.486 1.148 25446 1586 1 5 . 1 1 3 3 HIS N N 3 119.013 119.013 112.948 6.065 25446 1587 1 5 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.771 0.413 25446 1588 1 5 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.411 -0.408 25446 1589 1 5 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.744 1.344 25446 1590 1 5 . 1 1 3 3 HIS H H 3 9.946 9.946 7.905 2.041 25446 1591 1 5 . 1 1 4 4 ALA N N 4 122.550 122.550 124.230 -1.680 25446 1592 1 5 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.961 -0.070 25446 1593 1 5 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.910 1.650 25446 1594 1 5 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.089 -0.297 25446 1595 1 5 . 1 1 4 4 ALA H H 4 7.524 7.524 8.052 -0.528 25446 1596 1 5 . 1 1 5 5 SER N N 5 112.310 112.310 114.245 -1.935 25446 1597 1 5 . 1 1 5 5 SER HA H 5 4.295 4.295 4.173 0.122 25446 1598 1 5 . 1 1 5 5 SER CA C 5 62.089 62.089 62.188 -0.099 25446 1599 1 5 . 1 1 5 5 SER CB C 5 62.421 62.421 62.636 -0.214 25446 1600 1 5 . 1 1 5 5 SER H H 5 8.772 8.772 8.356 0.416 25446 1601 1 5 . 1 1 6 6 VAL N N 6 122.625 122.625 121.943 0.682 25446 1602 1 5 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.834 0.277 25446 1603 1 5 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.853 -0.145 25446 1604 1 5 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.186 1.554 25446 1605 1 5 . 1 1 6 6 VAL H H 6 7.657 7.657 7.355 0.302 25446 1606 1 5 . 1 1 7 7 ILE N N 7 121.536 121.536 121.289 0.247 25446 1607 1 5 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.616 0.610 25446 1608 1 5 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.130 -0.837 25446 1609 1 5 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.181 1.450 25446 1610 1 5 . 1 1 7 7 ILE H H 7 8.526 8.526 7.647 0.879 25446 1611 1 5 . 1 1 8 8 ALA N N 8 121.229 121.229 121.757 -0.528 25446 1612 1 5 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.970 -0.074 25446 1613 1 5 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.747 0.495 25446 1614 1 5 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.133 0.598 25446 1615 1 5 . 1 1 8 8 ALA H H 8 8.946 8.946 8.061 0.885 25446 1616 1 5 . 1 1 9 9 GLN N N 9 114.998 114.998 119.421 -4.423 25446 1617 1 5 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.053 -0.180 25446 1618 1 5 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.922 0.037 25446 1619 1 5 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.867 -1.054 25446 1620 1 5 . 1 1 9 9 GLN H H 9 7.731 7.731 8.016 -0.285 25446 1621 1 5 . 1 1 10 10 PHE N N 10 120.075 120.075 121.214 -1.139 25446 1622 1 5 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.253 -0.175 25446 1623 1 5 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.736 -0.883 25446 1624 1 5 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.282 -0.459 25446 1625 1 5 . 1 1 10 10 PHE H H 10 7.299 7.299 8.960 -1.661 25446 1626 1 5 . 1 1 11 11 VAL N N 11 117.458 117.458 118.405 -0.947 25446 1627 1 5 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.944 -0.637 25446 1628 1 5 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.642 0.802 25446 1629 1 5 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.585 0.103 25446 1630 1 5 . 1 1 11 11 VAL H H 11 8.363 8.363 8.564 -0.201 25446 1631 1 5 . 1 1 12 12 VAL N N 12 117.722 117.722 120.809 -3.087 25446 1632 1 5 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.005 0.742 25446 1633 1 5 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.809 0.110 25446 1634 1 5 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.643 0.624 25446 1635 1 5 . 1 1 12 12 VAL H H 12 8.289 8.289 8.791 -0.502 25446 1636 1 5 . 1 1 13 13 GLU N N 13 117.827 117.827 120.145 -2.318 25446 1637 1 5 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.825 -0.083 25446 1638 1 5 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.352 -0.159 25446 1639 1 5 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.081 0.413 25446 1640 1 5 . 1 1 13 13 GLU H H 13 7.758 7.758 8.621 -0.863 25446 1641 1 5 . 1 1 14 14 GLU N N 14 113.425 113.425 119.848 -6.423 25446 1642 1 5 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.157 -0.385 25446 1643 1 5 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.448 -1.841 25446 1644 1 5 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.377 -0.878 25446 1645 1 5 . 1 1 14 14 GLU H H 14 7.604 7.604 7.712 -0.108 25446 1646 1 5 . 1 1 15 15 PHE N N 15 114.097 114.097 114.480 -0.383 25446 1647 1 5 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.790 0.151 25446 1648 1 5 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.498 2.495 25446 1649 1 5 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.398 2.594 25446 1650 1 5 . 1 1 15 15 PHE H H 15 7.916 7.916 7.559 0.357 25446 1651 1 5 . 1 1 16 16 LEU N N 16 121.405 121.405 121.553 -0.148 25446 1652 1 5 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.369 0.598 25446 1653 1 5 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.061 -0.744 25446 1654 1 5 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.534 3.201 25446 1655 1 5 . 1 1 16 16 LEU H H 16 8.046 8.046 7.360 0.686 25446 1656 1 5 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.482 -0.108 25446 1657 1 5 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.485 2.180 25446 1658 1 5 . 1 1 18 18 ASP N N 18 116.413 116.413 117.954 -1.541 25446 1659 1 5 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.471 0.113 25446 1660 1 5 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.212 0.378 25446 1661 1 5 . 1 1 18 18 ASP H H 18 8.415 8.415 8.473 -0.058 25446 1662 1 5 . 1 1 19 19 VAL N N 19 122.077 122.077 118.684 3.393 25446 1663 1 5 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.090 0.023 25446 1664 1 5 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.553 0.794 25446 1665 1 5 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.868 -0.481 25446 1666 1 5 . 1 1 19 19 VAL H H 19 7.771 7.771 7.280 0.491 25446 1667 1 5 . 1 1 20 20 ALA N N 20 129.197 129.197 130.121 -0.924 25446 1668 1 5 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.518 0.070 25446 1669 1 5 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.193 0.035 25446 1670 1 5 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.316 -0.893 25446 1671 1 5 . 1 1 20 20 ALA H H 20 8.765 8.765 8.420 0.345 25446 1672 1 5 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.082 -0.008 25446 1673 1 5 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.663 0.478 25446 1674 1 5 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.695 -0.357 25446 1675 1 5 . 1 1 22 22 ALA N N 22 115.949 115.949 117.309 -1.360 25446 1676 1 5 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.156 -0.039 25446 1677 1 5 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.167 -0.384 25446 1678 1 5 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.428 0.324 25446 1679 1 5 . 1 1 22 22 ALA H H 22 8.074 8.074 7.951 0.123 25446 1680 1 5 . 1 1 23 23 ASP N N 23 115.451 115.451 116.873 -1.422 25446 1681 1 5 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.763 -0.111 25446 1682 1 5 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.114 0.330 25446 1683 1 5 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.182 -0.042 25446 1684 1 5 . 1 1 23 23 ASP H H 23 8.023 8.023 8.354 -0.331 25446 1685 1 5 . 1 1 24 24 VAL N N 24 121.382 121.382 120.883 0.499 25446 1686 1 5 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.129 -0.301 25446 1687 1 5 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.202 1.109 25446 1688 1 5 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.515 -1.651 25446 1689 1 5 . 1 1 24 24 VAL H H 24 7.072 7.072 7.457 -0.386 25446 1690 1 5 . 1 1 25 25 ASP N N 25 129.258 129.258 127.170 2.088 25446 1691 1 5 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.604 -0.032 25446 1692 1 5 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.414 0.056 25446 1693 1 5 . 1 1 25 25 ASP H H 25 8.499 8.499 8.821 -0.322 25446 1694 1 5 . 1 1 26 26 VAL N N 26 121.736 121.736 120.557 1.179 25446 1695 1 5 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.852 0.256 25446 1696 1 5 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.828 0.648 25446 1697 1 5 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.878 -0.661 25446 1698 1 5 . 1 1 26 26 VAL H H 26 8.566 8.566 7.947 0.619 25446 1699 1 5 . 1 1 27 27 ASP N N 27 116.233 116.233 117.543 -1.310 25446 1700 1 5 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.691 0.463 25446 1701 1 5 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.261 -0.138 25446 1702 1 5 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.487 2.105 25446 1703 1 5 . 1 1 27 27 ASP H H 27 8.638 8.638 7.971 0.667 25446 1704 1 5 . 1 1 28 28 LEU N N 28 125.046 125.046 122.550 2.496 25446 1705 1 5 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.411 -0.385 25446 1706 1 5 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.898 0.969 25446 1707 1 5 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.392 0.016 25446 1708 1 5 . 1 1 28 28 LEU H H 28 7.389 7.389 7.476 -0.087 25446 1709 1 5 . 1 1 29 29 ASP N N 29 125.807 125.807 125.449 0.358 25446 1710 1 5 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.741 0.090 25446 1711 1 5 . 1 1 29 29 ASP H H 29 8.731 8.731 8.594 0.137 25446 1712 1 5 . 1 1 30 30 LEU N N 30 130.007 130.007 125.520 4.487 25446 1713 1 5 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.223 -0.325 25446 1714 1 5 . 1 1 30 30 LEU CA C 30 56.419 56.419 55.841 0.578 25446 1715 1 5 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.439 0.684 25446 1716 1 5 . 1 1 30 30 LEU H H 30 9.744 9.744 8.693 1.051 25446 1717 1 5 . 1 1 31 31 VAL N N 31 121.093 121.093 121.122 -0.029 25446 1718 1 5 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.565 0.661 25446 1719 1 5 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.591 -1.200 25446 1720 1 5 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.075 1.106 25446 1721 1 5 . 1 1 31 31 VAL H H 31 8.166 8.166 7.830 0.336 25446 1722 1 5 . 1 1 32 32 ASP N N 32 124.657 124.657 119.435 5.222 25446 1723 1 5 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.348 0.016 25446 1724 1 5 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.840 0.279 25446 1725 1 5 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.582 0.178 25446 1726 1 5 . 1 1 32 32 ASP H H 32 9.365 9.365 7.970 1.395 25446 1727 1 5 . 1 1 33 33 ASN N N 33 111.260 111.260 118.038 -6.778 25446 1728 1 5 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.559 0.181 25446 1729 1 5 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.517 1.295 25446 1730 1 5 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.888 1.218 25446 1731 1 5 . 1 1 33 33 ASN H H 33 7.423 7.423 7.891 -0.468 25446 1732 1 5 . 1 1 34 34 GLY N N 34 106.935 106.935 110.154 -3.219 25446 1733 1 5 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.026 -0.402 25446 1734 1 5 . 1 1 34 34 GLY H H 34 7.648 7.648 8.774 -1.126 25446 1735 1 5 . 1 1 35 35 VAL N N 35 120.307 120.307 123.081 -2.774 25446 1736 1 5 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.677 0.103 25446 1737 1 5 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.739 0.286 25446 1738 1 5 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.424 0.365 25446 1739 1 5 . 1 1 35 35 VAL H H 35 7.838 7.838 7.539 0.299 25446 1740 1 5 . 1 1 36 36 ILE N N 36 116.154 116.154 118.384 -2.230 25446 1741 1 5 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.842 -0.083 25446 1742 1 5 . 1 1 36 36 ILE CA C 36 60.576 60.576 62.312 -1.736 25446 1743 1 5 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.470 1.755 25446 1744 1 5 . 1 1 36 36 ILE H H 36 7.337 7.337 8.439 -1.102 25446 1745 1 5 . 1 1 37 37 ASP N N 37 126.730 126.730 120.616 6.114 25446 1746 1 5 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.974 0.755 25446 1747 1 5 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.902 -5.265 25446 1748 1 5 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.012 1.239 25446 1749 1 5 . 1 1 37 37 ASP H H 37 7.921 7.921 8.364 -0.443 25446 1750 1 5 . 1 1 38 38 SER N N 38 113.176 113.176 113.901 -0.725 25446 1751 1 5 . 1 1 38 38 SER HA H 38 4.122 4.122 4.490 -0.368 25446 1752 1 5 . 1 1 38 38 SER CA C 38 61.062 61.062 59.086 1.976 25446 1753 1 5 . 1 1 39 39 LEU N N 39 122.521 122.521 123.439 -0.918 25446 1754 1 5 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.088 0.185 25446 1755 1 5 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.424 -1.054 25446 1756 1 5 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.939 -0.680 25446 1757 1 5 . 1 1 39 39 LEU H H 39 7.675 7.675 8.416 -0.741 25446 1758 1 5 . 1 1 40 40 GLY N N 40 111.971 111.971 106.250 5.721 25446 1759 1 5 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.947 1.173 25446 1760 1 5 . 1 1 40 40 GLY H H 40 8.776 8.776 7.590 1.186 25446 1761 1 5 . 1 1 41 41 LEU N N 41 122.579 122.579 123.607 -1.028 25446 1762 1 5 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.121 -0.276 25446 1763 1 5 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.673 0.592 25446 1764 1 5 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.019 -0.440 25446 1765 1 5 . 1 1 41 41 LEU H H 41 8.551 8.551 8.227 0.324 25446 1766 1 5 . 1 1 42 42 LEU N N 42 116.126 116.126 119.401 -3.275 25446 1767 1 5 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.903 0.106 25446 1768 1 5 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.656 -0.555 25446 1769 1 5 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.698 -0.751 25446 1770 1 5 . 1 1 42 42 LEU H H 42 7.213 7.213 8.387 -1.174 25446 1771 1 5 . 1 1 43 43 LYS N N 43 119.793 119.793 119.139 0.654 25446 1772 1 5 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.079 0.203 25446 1773 1 5 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.809 -0.239 25446 1774 1 5 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.345 0.192 25446 1775 1 5 . 1 1 43 43 LYS H H 43 7.664 7.664 7.504 0.160 25446 1776 1 5 . 1 1 44 44 VAL N N 44 121.147 121.147 121.461 -0.314 25446 1777 1 5 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.007 -0.070 25446 1778 1 5 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.808 0.010 25446 1779 1 5 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.303 0.256 25446 1780 1 5 . 1 1 44 44 VAL H H 44 8.278 8.278 8.420 -0.142 25446 1781 1 5 . 1 1 45 45 ILE N N 45 119.222 119.222 120.488 -1.266 25446 1782 1 5 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.748 -0.343 25446 1783 1 5 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.930 2.131 25446 1784 1 5 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.956 2.283 25446 1785 1 5 . 1 1 45 45 ILE H H 45 8.127 8.127 8.508 -0.381 25446 1786 1 5 . 1 1 46 46 ALA N N 46 121.011 121.011 122.692 -1.681 25446 1787 1 5 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.171 0.061 25446 1788 1 5 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.022 -0.062 25446 1789 1 5 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.569 -0.229 25446 1790 1 5 . 1 1 46 46 ALA H H 46 7.811 7.811 7.759 0.052 25446 1791 1 5 . 1 1 47 47 TRP N N 47 121.158 121.158 121.029 0.129 25446 1792 1 5 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.506 -0.271 25446 1793 1 5 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.150 2.684 25446 1794 1 5 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.662 -1.442 25446 1795 1 5 . 1 1 47 47 TRP H H 47 8.094 8.094 8.460 -0.366 25446 1796 1 5 . 1 1 48 48 LEU N N 48 118.890 118.890 121.595 -2.705 25446 1797 1 5 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.286 0.287 25446 1798 1 5 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.475 -0.283 25446 1799 1 5 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.508 0.746 25446 1800 1 5 . 1 1 48 48 LEU H H 48 8.704 8.704 8.770 -0.066 25446 1801 1 5 . 1 1 49 49 GLU N N 49 118.917 118.917 118.944 -0.027 25446 1802 1 5 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.078 -0.032 25446 1803 1 5 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.297 0.411 25446 1804 1 5 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.351 0.265 25446 1805 1 5 . 1 1 49 49 GLU H H 49 7.808 7.808 7.896 -0.088 25446 1806 1 5 . 1 1 50 50 ASP N N 50 119.614 119.614 119.672 -0.058 25446 1807 1 5 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.471 -0.231 25446 1808 1 5 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.325 0.684 25446 1809 1 5 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.929 1.448 25446 1810 1 5 . 1 1 50 50 ASP H H 50 7.677 7.677 7.543 0.134 25446 1811 1 5 . 1 1 51 51 ARG N N 51 116.918 116.918 118.540 -1.622 25446 1812 1 5 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.034 -0.309 25446 1813 1 5 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.753 -2.465 25446 1814 1 5 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.435 -1.151 25446 1815 1 5 . 1 1 51 51 ARG H H 51 8.876 8.876 7.975 0.901 25446 1816 1 5 . 1 1 52 52 PHE N N 52 112.278 112.278 114.999 -2.721 25446 1817 1 5 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.735 -0.078 25446 1818 1 5 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.258 -1.208 25446 1819 1 5 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.861 0.891 25446 1820 1 5 . 1 1 52 52 PHE H H 52 7.330 7.330 7.719 -0.389 25446 1821 1 5 . 1 1 53 53 GLY N N 53 109.717 109.717 109.418 0.299 25446 1822 1 5 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.781 0.865 25446 1823 1 5 . 1 1 53 53 GLY H H 53 7.411 7.411 8.386 -0.975 25446 1824 1 5 . 1 1 54 54 ILE N N 54 119.148 119.148 115.250 3.898 25446 1825 1 5 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.536 -0.593 25446 1826 1 5 . 1 1 54 54 ILE CA C 54 60.600 60.600 59.193 1.407 25446 1827 1 5 . 1 1 54 54 ILE CB C 54 39.509 39.509 40.273 -0.764 25446 1828 1 5 . 1 1 54 54 ILE H H 54 6.901 6.901 7.430 -0.529 25446 1829 1 5 . 1 1 55 55 ALA N N 55 129.774 129.774 126.380 3.394 25446 1830 1 5 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.254 0.148 25446 1831 1 5 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.469 -0.821 25446 1832 1 5 . 1 1 55 55 ALA H H 55 8.538 8.538 8.419 0.119 25446 1833 1 5 . 1 1 56 56 ALA N N 56 126.034 126.034 123.705 2.329 25446 1834 1 5 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.127 0.146 25446 1835 1 5 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.301 0.311 25446 1836 1 5 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.849 0.273 25446 1837 1 5 . 1 1 56 56 ALA H H 56 8.620 8.620 8.575 0.045 25446 1838 1 5 . 1 1 57 57 ASP N N 57 115.649 115.649 116.402 -0.753 25446 1839 1 5 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.484 -0.008 25446 1840 1 5 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.773 0.397 25446 1841 1 5 . 1 1 57 57 ASP H H 57 8.321 8.321 8.620 -0.299 25446 1842 1 5 . 1 1 58 58 ASP N N 58 118.298 118.298 116.680 1.618 25446 1843 1 5 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.575 0.093 25446 1844 1 5 . 1 1 58 58 ASP CA C 58 54.802 54.802 52.944 1.858 25446 1845 1 5 . 1 1 58 58 ASP H H 58 7.971 7.971 8.096 -0.125 25446 1846 1 5 . 1 1 59 59 VAL N N 59 118.443 118.443 120.155 -1.712 25446 1847 1 5 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.802 0.407 25446 1848 1 5 . 1 1 59 59 VAL CA C 59 62.070 62.070 63.993 -1.923 25446 1849 1 5 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.183 1.147 25446 1850 1 5 . 1 1 59 59 VAL H H 59 7.700 7.700 8.071 -0.371 25446 1851 1 5 . 1 1 60 60 GLU N N 60 122.777 122.777 119.420 3.357 25446 1852 1 5 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.459 -0.176 25446 1853 1 5 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.657 0.661 25446 1854 1 5 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.546 -0.669 25446 1855 1 5 . 1 1 60 60 GLU H H 60 8.416 8.416 7.876 0.540 25446 1856 1 5 . 1 1 61 61 LEU N N 61 124.910 124.910 123.746 1.164 25446 1857 1 5 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.733 -0.376 25446 1858 1 5 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.437 0.725 25446 1859 1 5 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.174 -1.329 25446 1860 1 5 . 1 1 61 61 LEU H H 61 8.249 8.249 8.489 -0.240 25446 1861 1 5 . 1 1 62 62 SER N N 62 118.228 118.228 117.921 0.307 25446 1862 1 5 . 1 1 62 62 SER HA H 62 4.816 4.816 4.919 -0.103 25446 1863 1 5 . 1 1 62 62 SER CB C 62 63.963 63.963 65.052 -1.089 25446 1864 1 5 . 1 1 62 62 SER H H 62 8.025 8.025 8.213 -0.188 25446 1865 1 5 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.452 -0.198 25446 1866 1 5 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.061 -0.167 25446 1867 1 5 . 1 1 64 64 GLU N N 64 116.457 116.457 119.063 -2.606 25446 1868 1 5 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.064 -0.197 25446 1869 1 5 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.992 -0.246 25446 1870 1 5 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.197 -0.490 25446 1871 1 5 . 1 1 64 64 GLU H H 64 8.310 8.310 8.163 0.147 25446 1872 1 5 . 1 1 65 65 HIS N N 65 114.998 114.998 119.274 -4.276 25446 1873 1 5 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.185 0.112 25446 1874 1 5 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.100 -0.735 25446 1875 1 5 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.698 -0.091 25446 1876 1 5 . 1 1 65 65 HIS H H 65 7.324 7.324 7.723 -0.399 25446 1877 1 5 . 1 1 66 66 PHE N N 66 115.965 115.965 114.993 0.972 25446 1878 1 5 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.561 0.221 25446 1879 1 5 . 1 1 66 66 PHE CA C 66 55.666 55.666 57.831 -2.165 25446 1880 1 5 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.916 0.068 25446 1881 1 5 . 1 1 66 66 PHE H H 66 7.245 7.245 7.590 -0.345 25446 1882 1 5 . 1 1 67 67 ARG N N 67 112.179 112.179 119.127 -6.948 25446 1883 1 5 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.079 0.005 25446 1884 1 5 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.891 0.400 25446 1885 1 5 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.614 1.023 25446 1886 1 5 . 1 1 67 67 ARG H H 67 6.632 6.632 7.529 -0.897 25446 1887 1 5 . 1 1 68 68 SER N N 68 109.181 109.181 109.643 -0.462 25446 1888 1 5 . 1 1 68 68 SER HA H 68 4.985 4.985 4.709 0.276 25446 1889 1 5 . 1 1 68 68 SER CA C 68 55.664 55.664 56.905 -1.241 25446 1890 1 5 . 1 1 68 68 SER CB C 68 67.608 67.608 66.051 1.557 25446 1891 1 5 . 1 1 68 68 SER H H 68 8.139 8.139 7.268 0.871 25446 1892 1 5 . 1 1 69 69 ILE N N 69 122.526 122.526 122.683 -0.157 25446 1893 1 5 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.771 -0.089 25446 1894 1 5 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.873 1.865 25446 1895 1 5 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.851 -0.863 25446 1896 1 5 . 1 1 69 69 ILE H H 69 9.770 9.770 8.974 0.796 25446 1897 1 5 . 1 1 70 70 ARG N N 70 118.671 118.671 118.837 -0.166 25446 1898 1 5 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.923 0.045 25446 1899 1 5 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.742 0.587 25446 1900 1 5 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.683 0.617 25446 1901 1 5 . 1 1 70 70 ARG H H 70 8.860 8.860 8.513 0.347 25446 1902 1 5 . 1 1 71 71 SER N N 71 117.722 117.722 115.473 2.249 25446 1903 1 5 . 1 1 71 71 SER HA H 71 4.346 4.346 4.160 0.186 25446 1904 1 5 . 1 1 71 71 SER CB C 71 62.962 62.962 62.852 0.110 25446 1905 1 5 . 1 1 71 71 SER H H 71 8.534 8.534 7.644 0.890 25446 1906 1 5 . 1 1 72 72 ILE N N 72 127.380 127.380 122.953 4.427 25446 1907 1 5 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.529 0.396 25446 1908 1 5 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.912 1.833 25446 1909 1 5 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.519 -0.158 25446 1910 1 5 . 1 1 72 72 ILE H H 72 8.789 8.789 7.102 1.687 25446 1911 1 5 . 1 1 73 73 ASP N N 73 121.443 121.443 120.984 0.459 25446 1912 1 5 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.219 -0.207 25446 1913 1 5 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.450 1.650 25446 1914 1 5 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.519 3.161 25446 1915 1 5 . 1 1 73 73 ASP H H 73 8.699 8.699 8.137 0.562 25446 1916 1 5 . 1 1 74 74 ALA N N 74 118.799 118.799 121.731 -2.932 25446 1917 1 5 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.074 -0.035 25446 1918 1 5 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.075 0.160 25446 1919 1 5 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.256 -0.307 25446 1920 1 5 . 1 1 74 74 ALA H H 74 8.042 8.042 7.662 0.380 25446 1921 1 5 . 1 1 75 75 PHE N N 75 121.125 121.125 119.631 1.494 25446 1922 1 5 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.143 -0.098 25446 1923 1 5 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.708 -0.757 25446 1924 1 5 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.512 -0.641 25446 1925 1 5 . 1 1 75 75 PHE H H 75 8.369 8.369 7.675 0.694 25446 1926 1 5 . 1 1 76 76 VAL N N 76 120.715 120.715 119.218 1.497 25446 1927 1 5 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.600 -0.650 25446 1928 1 5 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.905 -0.076 25446 1929 1 5 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.265 -0.038 25446 1930 1 5 . 1 1 76 76 VAL H H 76 8.555 8.555 8.547 0.008 25446 1931 1 5 . 1 1 77 77 VAL N N 77 121.286 121.286 119.462 1.824 25446 1932 1 5 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.618 -0.125 25446 1933 1 5 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.823 0.955 25446 1934 1 5 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.345 0.521 25446 1935 1 5 . 1 1 77 77 VAL H H 77 8.770 8.770 8.300 0.470 25446 1936 1 5 . 1 1 78 78 GLY N N 78 106.349 106.349 106.024 0.325 25446 1937 1 5 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.577 0.055 25446 1938 1 5 . 1 1 78 78 GLY H H 78 7.976 7.976 7.979 -0.003 25446 1939 1 5 . 1 1 79 79 ALA N N 79 120.998 120.998 122.005 -1.007 25446 1940 1 5 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.499 -0.292 25446 1941 1 5 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.879 -0.083 25446 1942 1 5 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.517 -1.251 25446 1943 1 5 . 1 1 79 79 ALA H H 79 7.647 7.647 7.211 0.436 25446 1944 1 5 . 1 1 80 80 THR N N 80 107.402 107.402 113.321 -5.919 25446 1945 1 5 . 1 1 80 80 THR HA H 80 4.454 4.454 4.395 0.059 25446 1946 1 5 . 1 1 80 80 THR CA C 80 61.337 61.337 62.365 -1.028 25446 1947 1 5 . 1 1 80 80 THR CB C 80 70.703 70.703 71.019 -0.316 25446 1948 1 5 . 1 1 80 80 THR H H 80 7.469 7.469 7.948 -0.479 25446 1949 1 5 . 1 1 81 81 THR N N 81 119.746 119.746 118.031 1.715 25446 1950 1 5 . 1 1 81 81 THR HA H 81 4.668 4.668 4.596 0.072 25446 1951 1 5 . 1 1 81 81 THR CA C 81 60.448 60.448 57.886 2.562 25446 1952 1 5 . 1 1 81 81 THR CB C 81 70.062 70.062 69.055 1.007 25446 1953 1 5 . 1 1 81 81 THR H H 81 7.684 7.684 7.952 -0.268 25446 1954 1 5 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.682 0.017 25446 1955 1 5 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.745 0.866 25446 1956 1 5 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.439 -0.435 25446 1957 1 5 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.399 0.074 25446 1958 1 5 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.406 0.405 25446 1959 1 5 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.543 -0.462 25446 1960 1 5 . 1 1 84 84 VAL N N 84 120.611 120.611 122.752 -2.141 25446 1961 1 5 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.278 -0.231 25446 1962 1 5 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.985 1.328 25446 1963 1 5 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.678 -1.806 25446 1964 1 5 . 1 1 84 84 VAL H H 84 8.240 8.240 8.165 0.075 25446 1965 1 5 . 1 1 85 85 GLU N N 85 125.076 125.076 124.536 0.540 25446 1966 1 5 . 1 1 85 85 GLU H H 85 8.434 8.434 8.787 -0.353 25446 1967 1 5 . 1 1 86 86 ALA N N 86 126.280 126.280 118.408 7.872 25446 1968 1 5 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.093 1.195 25446 1969 1 5 . 1 1 86 86 ALA H H 86 8.340 8.340 7.537 0.803 25446 1970 1 5 . 1 1 87 87 LYS N N 87 121.709 121.709 122.033 -0.324 25446 1971 1 5 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.250 0.954 25446 1972 1 5 . 1 1 87 87 LYS H H 87 8.334 8.334 9.482 -1.148 25446 1973 1 5 . 1 1 88 88 LEU N N 88 125.379 125.379 117.629 7.750 25446 1974 1 5 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.034 -4.034 25446 1975 1 5 . 1 1 88 88 LEU H H 88 8.435 8.435 7.843 0.592 25446 1976 1 6 . 1 1 2 2 GLN N N 2 123.771 123.771 119.823 3.948 25446 1977 1 6 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.922 0.208 25446 1978 1 6 . 1 1 2 2 GLN CA C 2 57.549 57.549 57.963 -0.414 25446 1979 1 6 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.511 1.651 25446 1980 1 6 . 1 1 2 2 GLN H H 2 9.634 9.634 8.543 1.091 25446 1981 1 6 . 1 1 3 3 HIS N N 3 119.013 119.013 112.615 6.398 25446 1982 1 6 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.908 0.276 25446 1983 1 6 . 1 1 3 3 HIS CA C 3 55.003 55.003 54.559 0.444 25446 1984 1 6 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.391 1.697 25446 1985 1 6 . 1 1 3 3 HIS H H 3 9.946 9.946 8.098 1.848 25446 1986 1 6 . 1 1 4 4 ALA N N 4 122.550 122.550 123.745 -1.195 25446 1987 1 6 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.111 -0.220 25446 1988 1 6 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.092 1.468 25446 1989 1 6 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.415 0.377 25446 1990 1 6 . 1 1 4 4 ALA H H 4 7.524 7.524 7.120 0.404 25446 1991 1 6 . 1 1 5 5 SER N N 5 112.310 112.310 113.796 -1.486 25446 1992 1 6 . 1 1 5 5 SER HA H 5 4.295 4.295 4.168 0.127 25446 1993 1 6 . 1 1 5 5 SER CA C 5 62.089 62.089 61.683 0.406 25446 1994 1 6 . 1 1 5 5 SER CB C 5 62.421 62.421 62.861 -0.440 25446 1995 1 6 . 1 1 5 5 SER H H 5 8.772 8.772 8.462 0.310 25446 1996 1 6 . 1 1 6 6 VAL N N 6 122.625 122.625 121.368 1.257 25446 1997 1 6 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.837 0.274 25446 1998 1 6 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.789 -0.081 25446 1999 1 6 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.642 1.098 25446 2000 1 6 . 1 1 6 6 VAL H H 6 7.657 7.657 7.479 0.178 25446 2001 1 6 . 1 1 7 7 ILE N N 7 121.536 121.536 120.894 0.642 25446 2002 1 6 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.638 0.588 25446 2003 1 6 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.129 -0.836 25446 2004 1 6 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.290 1.341 25446 2005 1 6 . 1 1 7 7 ILE H H 7 8.526 8.526 7.705 0.821 25446 2006 1 6 . 1 1 8 8 ALA N N 8 121.229 121.229 121.380 -0.151 25446 2007 1 6 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.014 -0.118 25446 2008 1 6 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.482 0.760 25446 2009 1 6 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.049 0.682 25446 2010 1 6 . 1 1 8 8 ALA H H 8 8.946 8.946 8.565 0.381 25446 2011 1 6 . 1 1 9 9 GLN N N 9 114.998 114.998 119.445 -4.447 25446 2012 1 6 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.070 -0.197 25446 2013 1 6 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.100 -0.141 25446 2014 1 6 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.868 -1.055 25446 2015 1 6 . 1 1 9 9 GLN H H 9 7.731 7.731 8.320 -0.589 25446 2016 1 6 . 1 1 10 10 PHE N N 10 120.075 120.075 121.469 -1.394 25446 2017 1 6 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.150 -0.072 25446 2018 1 6 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.684 -0.831 25446 2019 1 6 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.359 -0.536 25446 2020 1 6 . 1 1 10 10 PHE H H 10 7.299 7.299 8.873 -1.574 25446 2021 1 6 . 1 1 11 11 VAL N N 11 117.458 117.458 118.911 -1.453 25446 2022 1 6 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.829 -0.522 25446 2023 1 6 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.414 0.030 25446 2024 1 6 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.245 -0.557 25446 2025 1 6 . 1 1 11 11 VAL H H 11 8.363 8.363 8.372 -0.009 25446 2026 1 6 . 1 1 12 12 VAL N N 12 117.722 117.722 119.854 -2.132 25446 2027 1 6 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.751 -0.004 25446 2028 1 6 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.031 -0.112 25446 2029 1 6 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.214 0.053 25446 2030 1 6 . 1 1 12 12 VAL H H 12 8.289 8.289 8.343 -0.054 25446 2031 1 6 . 1 1 13 13 GLU N N 13 117.827 117.827 119.520 -1.693 25446 2032 1 6 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.941 -0.199 25446 2033 1 6 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.020 0.173 25446 2034 1 6 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.350 0.144 25446 2035 1 6 . 1 1 13 13 GLU H H 13 7.758 7.758 8.021 -0.263 25446 2036 1 6 . 1 1 14 14 GLU N N 14 113.425 113.425 117.385 -3.960 25446 2037 1 6 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.782 -0.010 25446 2038 1 6 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.098 -1.491 25446 2039 1 6 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.480 0.020 25446 2040 1 6 . 1 1 14 14 GLU H H 14 7.604 7.604 7.675 -0.071 25446 2041 1 6 . 1 1 15 15 PHE N N 15 114.097 114.097 115.581 -1.484 25446 2042 1 6 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.579 0.362 25446 2043 1 6 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.258 -1.264 25446 2044 1 6 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.587 1.405 25446 2045 1 6 . 1 1 15 15 PHE H H 15 7.916 7.916 7.311 0.605 25446 2046 1 6 . 1 1 16 16 LEU N N 16 121.405 121.405 120.388 1.017 25446 2047 1 6 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.794 0.173 25446 2048 1 6 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.368 -0.051 25446 2049 1 6 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.581 1.154 25446 2050 1 6 . 1 1 16 16 LEU H H 16 8.046 8.046 8.140 -0.094 25446 2051 1 6 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.554 -0.180 25446 2052 1 6 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.352 1.313 25446 2053 1 6 . 1 1 18 18 ASP N N 18 116.413 116.413 117.746 -1.333 25446 2054 1 6 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.482 0.102 25446 2055 1 6 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.094 0.496 25446 2056 1 6 . 1 1 18 18 ASP H H 18 8.415 8.415 8.581 -0.166 25446 2057 1 6 . 1 1 19 19 VAL N N 19 122.077 122.077 119.915 2.162 25446 2058 1 6 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.200 -0.087 25446 2059 1 6 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.687 0.660 25446 2060 1 6 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.680 -1.293 25446 2061 1 6 . 1 1 19 19 VAL H H 19 7.771 7.771 7.138 0.633 25446 2062 1 6 . 1 1 20 20 ALA N N 20 129.197 129.197 129.503 -0.306 25446 2063 1 6 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.424 0.164 25446 2064 1 6 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.937 -0.709 25446 2065 1 6 . 1 1 20 20 ALA CB C 20 17.423 17.423 17.932 -0.509 25446 2066 1 6 . 1 1 20 20 ALA H H 20 8.765 8.765 8.440 0.325 25446 2067 1 6 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.239 -0.165 25446 2068 1 6 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.099 1.042 25446 2069 1 6 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.928 -0.590 25446 2070 1 6 . 1 1 22 22 ALA N N 22 115.949 115.949 118.642 -2.693 25446 2071 1 6 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.170 -0.053 25446 2072 1 6 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.077 -0.294 25446 2073 1 6 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.105 0.647 25446 2074 1 6 . 1 1 22 22 ALA H H 22 8.074 8.074 7.979 0.095 25446 2075 1 6 . 1 1 23 23 ASP N N 23 115.451 115.451 117.531 -2.080 25446 2076 1 6 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.627 0.025 25446 2077 1 6 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.712 0.732 25446 2078 1 6 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.209 -0.069 25446 2079 1 6 . 1 1 23 23 ASP H H 23 8.023 8.023 7.713 0.310 25446 2080 1 6 . 1 1 24 24 VAL N N 24 121.382 121.382 121.113 0.269 25446 2081 1 6 . 1 1 24 24 VAL HA H 24 3.828 3.828 3.917 -0.089 25446 2082 1 6 . 1 1 24 24 VAL CA C 24 62.311 62.311 63.444 -1.133 25446 2083 1 6 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.169 -0.305 25446 2084 1 6 . 1 1 24 24 VAL H H 24 7.072 7.072 7.410 -0.338 25446 2085 1 6 . 1 1 25 25 ASP N N 25 129.258 129.258 127.178 2.080 25446 2086 1 6 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.533 0.039 25446 2087 1 6 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.071 0.399 25446 2088 1 6 . 1 1 25 25 ASP H H 25 8.499 8.499 8.694 -0.195 25446 2089 1 6 . 1 1 26 26 VAL N N 26 121.736 121.736 123.599 -1.863 25446 2090 1 6 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.919 0.189 25446 2091 1 6 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.786 0.690 25446 2092 1 6 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.728 -0.511 25446 2093 1 6 . 1 1 26 26 VAL H H 26 8.566 8.566 8.231 0.335 25446 2094 1 6 . 1 1 27 27 ASP N N 27 116.233 116.233 118.385 -2.152 25446 2095 1 6 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.712 0.442 25446 2096 1 6 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.047 0.076 25446 2097 1 6 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.495 1.097 25446 2098 1 6 . 1 1 27 27 ASP H H 27 8.638 8.638 7.766 0.872 25446 2099 1 6 . 1 1 28 28 LEU N N 28 125.046 125.046 122.496 2.550 25446 2100 1 6 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.484 -0.458 25446 2101 1 6 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.623 1.244 25446 2102 1 6 . 1 1 28 28 LEU CB C 28 43.408 43.408 44.133 -0.725 25446 2103 1 6 . 1 1 28 28 LEU H H 28 7.389 7.389 7.694 -0.305 25446 2104 1 6 . 1 1 29 29 ASP N N 29 125.807 125.807 124.888 0.919 25446 2105 1 6 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.675 0.156 25446 2106 1 6 . 1 1 29 29 ASP H H 29 8.731 8.731 8.633 0.098 25446 2107 1 6 . 1 1 30 30 LEU N N 30 130.007 130.007 122.073 7.934 25446 2108 1 6 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.356 -0.458 25446 2109 1 6 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.500 -0.081 25446 2110 1 6 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.665 0.458 25446 2111 1 6 . 1 1 30 30 LEU H H 30 9.744 9.744 8.386 1.358 25446 2112 1 6 . 1 1 31 31 VAL N N 31 121.093 121.093 122.623 -1.530 25446 2113 1 6 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.653 0.573 25446 2114 1 6 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.804 -1.413 25446 2115 1 6 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.188 0.993 25446 2116 1 6 . 1 1 31 31 VAL H H 31 8.166 8.166 7.760 0.406 25446 2117 1 6 . 1 1 32 32 ASP N N 32 124.657 124.657 119.832 4.825 25446 2118 1 6 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.371 -0.007 25446 2119 1 6 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.017 0.103 25446 2120 1 6 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.116 0.644 25446 2121 1 6 . 1 1 32 32 ASP H H 32 9.365 9.365 8.005 1.360 25446 2122 1 6 . 1 1 33 33 ASN N N 33 111.260 111.260 117.786 -6.526 25446 2123 1 6 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.628 0.112 25446 2124 1 6 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.744 1.068 25446 2125 1 6 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.832 1.274 25446 2126 1 6 . 1 1 33 33 ASN H H 33 7.423 7.423 8.025 -0.602 25446 2127 1 6 . 1 1 34 34 GLY N N 34 106.935 106.935 109.327 -2.392 25446 2128 1 6 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.033 -0.409 25446 2129 1 6 . 1 1 34 34 GLY H H 34 7.648 7.648 8.567 -0.919 25446 2130 1 6 . 1 1 35 35 VAL N N 35 120.307 120.307 122.897 -2.590 25446 2131 1 6 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.529 0.251 25446 2132 1 6 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.836 -0.811 25446 2133 1 6 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.748 0.041 25446 2134 1 6 . 1 1 35 35 VAL H H 35 7.838 7.838 7.357 0.481 25446 2135 1 6 . 1 1 36 36 ILE N N 36 116.154 116.154 119.573 -3.419 25446 2136 1 6 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.851 -0.092 25446 2137 1 6 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.529 -2.953 25446 2138 1 6 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.843 1.382 25446 2139 1 6 . 1 1 36 36 ILE H H 36 7.337 7.337 8.575 -1.238 25446 2140 1 6 . 1 1 37 37 ASP N N 37 126.730 126.730 120.519 6.211 25446 2141 1 6 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.581 1.148 25446 2142 1 6 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.733 -5.096 25446 2143 1 6 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.129 1.123 25446 2144 1 6 . 1 1 37 37 ASP H H 37 7.921 7.921 8.302 -0.381 25446 2145 1 6 . 1 1 38 38 SER N N 38 113.176 113.176 114.047 -0.871 25446 2146 1 6 . 1 1 38 38 SER HA H 38 4.122 4.122 4.551 -0.429 25446 2147 1 6 . 1 1 38 38 SER CA C 38 61.062 61.062 59.656 1.406 25446 2148 1 6 . 1 1 39 39 LEU N N 39 122.521 122.521 123.618 -1.097 25446 2149 1 6 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.122 0.151 25446 2150 1 6 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.381 -1.011 25446 2151 1 6 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.997 -0.738 25446 2152 1 6 . 1 1 39 39 LEU H H 39 7.675 7.675 7.793 -0.118 25446 2153 1 6 . 1 1 40 40 GLY N N 40 111.971 111.971 106.351 5.620 25446 2154 1 6 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.070 1.050 25446 2155 1 6 . 1 1 40 40 GLY H H 40 8.776 8.776 7.681 1.095 25446 2156 1 6 . 1 1 41 41 LEU N N 41 122.579 122.579 123.786 -1.207 25446 2157 1 6 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.169 -0.324 25446 2158 1 6 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.860 0.405 25446 2159 1 6 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.038 -0.459 25446 2160 1 6 . 1 1 41 41 LEU H H 41 8.551 8.551 8.481 0.070 25446 2161 1 6 . 1 1 42 42 LEU N N 42 116.126 116.126 119.807 -3.681 25446 2162 1 6 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.992 0.017 25446 2163 1 6 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.716 -0.615 25446 2164 1 6 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.797 -0.850 25446 2165 1 6 . 1 1 42 42 LEU H H 42 7.213 7.213 8.286 -1.073 25446 2166 1 6 . 1 1 43 43 LYS N N 43 119.793 119.793 119.411 0.382 25446 2167 1 6 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.067 0.215 25446 2168 1 6 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.057 -0.487 25446 2169 1 6 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.405 0.132 25446 2170 1 6 . 1 1 43 43 LYS H H 43 7.664 7.664 7.483 0.181 25446 2171 1 6 . 1 1 44 44 VAL N N 44 121.147 121.147 121.019 0.128 25446 2172 1 6 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.118 -0.181 25446 2173 1 6 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.076 -0.258 25446 2174 1 6 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.681 -0.122 25446 2175 1 6 . 1 1 44 44 VAL H H 44 8.278 8.278 8.645 -0.367 25446 2176 1 6 . 1 1 45 45 ILE N N 45 119.222 119.222 121.122 -1.900 25446 2177 1 6 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.742 -0.337 25446 2178 1 6 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.454 1.607 25446 2179 1 6 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.256 0.983 25446 2180 1 6 . 1 1 45 45 ILE H H 45 8.127 8.127 8.624 -0.497 25446 2181 1 6 . 1 1 46 46 ALA N N 46 121.011 121.011 123.043 -2.032 25446 2182 1 6 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.162 0.070 25446 2183 1 6 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.095 -0.135 25446 2184 1 6 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.545 -0.205 25446 2185 1 6 . 1 1 46 46 ALA H H 46 7.811 7.811 8.086 -0.275 25446 2186 1 6 . 1 1 47 47 TRP N N 47 121.158 121.158 121.078 0.080 25446 2187 1 6 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.416 -0.181 25446 2188 1 6 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.661 1.173 25446 2189 1 6 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.852 -1.632 25446 2190 1 6 . 1 1 47 47 TRP H H 47 8.094 8.094 8.421 -0.327 25446 2191 1 6 . 1 1 48 48 LEU N N 48 118.890 118.890 121.567 -2.677 25446 2192 1 6 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.009 0.564 25446 2193 1 6 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.631 -0.439 25446 2194 1 6 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.682 0.572 25446 2195 1 6 . 1 1 48 48 LEU H H 48 8.704 8.704 9.074 -0.370 25446 2196 1 6 . 1 1 49 49 GLU N N 49 118.917 118.917 119.326 -0.409 25446 2197 1 6 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.110 -0.064 25446 2198 1 6 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.293 0.415 25446 2199 1 6 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.510 0.106 25446 2200 1 6 . 1 1 49 49 GLU H H 49 7.808 7.808 8.291 -0.483 25446 2201 1 6 . 1 1 50 50 ASP N N 50 119.614 119.614 118.627 0.987 25446 2202 1 6 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.397 -0.157 25446 2203 1 6 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.340 0.669 25446 2204 1 6 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.971 1.405 25446 2205 1 6 . 1 1 50 50 ASP H H 50 7.677 7.677 7.634 0.043 25446 2206 1 6 . 1 1 51 51 ARG N N 51 116.918 116.918 117.827 -0.909 25446 2207 1 6 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.000 -0.275 25446 2208 1 6 . 1 1 51 51 ARG CA C 51 56.288 56.288 57.998 -1.710 25446 2209 1 6 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.645 -1.361 25446 2210 1 6 . 1 1 51 51 ARG H H 51 8.876 8.876 7.572 1.304 25446 2211 1 6 . 1 1 52 52 PHE N N 52 112.278 112.278 114.731 -2.453 25446 2212 1 6 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.538 0.119 25446 2213 1 6 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.414 -1.364 25446 2214 1 6 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.494 1.258 25446 2215 1 6 . 1 1 52 52 PHE H H 52 7.330 7.330 7.937 -0.607 25446 2216 1 6 . 1 1 53 53 GLY N N 53 109.717 109.717 108.737 0.980 25446 2217 1 6 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.572 1.075 25446 2218 1 6 . 1 1 53 53 GLY H H 53 7.411 7.411 7.891 -0.480 25446 2219 1 6 . 1 1 54 54 ILE N N 54 119.148 119.148 120.971 -1.823 25446 2220 1 6 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.141 -0.198 25446 2221 1 6 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.312 0.288 25446 2222 1 6 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.182 0.327 25446 2223 1 6 . 1 1 54 54 ILE H H 54 6.901 6.901 7.211 -0.310 25446 2224 1 6 . 1 1 55 55 ALA N N 55 129.774 129.774 128.906 0.868 25446 2225 1 6 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.244 0.158 25446 2226 1 6 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.812 -1.164 25446 2227 1 6 . 1 1 55 55 ALA H H 55 8.538 8.538 8.422 0.116 25446 2228 1 6 . 1 1 56 56 ALA N N 56 126.034 126.034 123.366 2.668 25446 2229 1 6 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.130 0.143 25446 2230 1 6 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.316 0.297 25446 2231 1 6 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.036 0.086 25446 2232 1 6 . 1 1 56 56 ALA H H 56 8.620 8.620 8.429 0.191 25446 2233 1 6 . 1 1 57 57 ASP N N 57 115.649 115.649 115.010 0.639 25446 2234 1 6 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.461 0.015 25446 2235 1 6 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.853 0.317 25446 2236 1 6 . 1 1 57 57 ASP H H 57 8.321 8.321 8.342 -0.021 25446 2237 1 6 . 1 1 58 58 ASP N N 58 118.298 118.298 116.966 1.332 25446 2238 1 6 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.618 0.050 25446 2239 1 6 . 1 1 58 58 ASP CA C 58 54.802 54.802 53.426 1.375 25446 2240 1 6 . 1 1 58 58 ASP H H 58 7.971 7.971 8.470 -0.499 25446 2241 1 6 . 1 1 59 59 VAL N N 59 118.443 118.443 119.276 -0.833 25446 2242 1 6 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.847 0.362 25446 2243 1 6 . 1 1 59 59 VAL CA C 59 62.070 62.070 63.927 -1.857 25446 2244 1 6 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.077 1.253 25446 2245 1 6 . 1 1 59 59 VAL H H 59 7.700 7.700 7.802 -0.102 25446 2246 1 6 . 1 1 60 60 GLU N N 60 122.777 122.777 119.520 3.257 25446 2247 1 6 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.479 -0.196 25446 2248 1 6 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.901 0.417 25446 2249 1 6 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.466 -0.589 25446 2250 1 6 . 1 1 60 60 GLU H H 60 8.416 8.416 8.210 0.206 25446 2251 1 6 . 1 1 61 61 LEU N N 61 124.910 124.910 123.096 1.814 25446 2252 1 6 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.688 -0.331 25446 2253 1 6 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.961 0.201 25446 2254 1 6 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.964 -2.119 25446 2255 1 6 . 1 1 61 61 LEU H H 61 8.249 8.249 8.368 -0.119 25446 2256 1 6 . 1 1 62 62 SER N N 62 118.228 118.228 116.900 1.328 25446 2257 1 6 . 1 1 62 62 SER HA H 62 4.816 4.816 4.986 -0.170 25446 2258 1 6 . 1 1 62 62 SER CB C 62 63.963 63.963 65.269 -1.306 25446 2259 1 6 . 1 1 62 62 SER H H 62 8.025 8.025 8.315 -0.290 25446 2260 1 6 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.677 -0.423 25446 2261 1 6 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.917 -0.023 25446 2262 1 6 . 1 1 64 64 GLU N N 64 116.457 116.457 118.418 -1.961 25446 2263 1 6 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.116 -0.249 25446 2264 1 6 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.372 -0.626 25446 2265 1 6 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.004 -0.297 25446 2266 1 6 . 1 1 64 64 GLU H H 64 8.310 8.310 8.986 -0.676 25446 2267 1 6 . 1 1 65 65 HIS N N 65 114.998 114.998 118.898 -3.900 25446 2268 1 6 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.264 0.033 25446 2269 1 6 . 1 1 65 65 HIS CA C 65 57.365 57.365 57.861 -0.496 25446 2270 1 6 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.713 -0.106 25446 2271 1 6 . 1 1 65 65 HIS H H 65 7.324 7.324 7.683 -0.359 25446 2272 1 6 . 1 1 66 66 PHE N N 66 115.965 115.965 115.102 0.863 25446 2273 1 6 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.481 0.301 25446 2274 1 6 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.314 -2.648 25446 2275 1 6 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.518 0.466 25446 2276 1 6 . 1 1 66 66 PHE H H 66 7.245 7.245 7.451 -0.206 25446 2277 1 6 . 1 1 67 67 ARG N N 67 112.179 112.179 117.858 -5.679 25446 2278 1 6 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.029 0.055 25446 2279 1 6 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.983 0.309 25446 2280 1 6 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.889 0.748 25446 2281 1 6 . 1 1 67 67 ARG H H 67 6.632 6.632 7.491 -0.859 25446 2282 1 6 . 1 1 68 68 SER N N 68 109.181 109.181 109.548 -0.367 25446 2283 1 6 . 1 1 68 68 SER HA H 68 4.985 4.985 4.665 0.320 25446 2284 1 6 . 1 1 68 68 SER CA C 68 55.664 55.664 56.524 -0.860 25446 2285 1 6 . 1 1 68 68 SER CB C 68 67.608 67.608 65.824 1.784 25446 2286 1 6 . 1 1 68 68 SER H H 68 8.139 8.139 7.373 0.766 25446 2287 1 6 . 1 1 69 69 ILE N N 69 122.526 122.526 123.107 -0.581 25446 2288 1 6 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.769 -0.087 25446 2289 1 6 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.492 2.246 25446 2290 1 6 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.938 -0.950 25446 2291 1 6 . 1 1 69 69 ILE H H 69 9.770 9.770 8.779 0.991 25446 2292 1 6 . 1 1 70 70 ARG N N 70 118.671 118.671 119.105 -0.434 25446 2293 1 6 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.149 -0.181 25446 2294 1 6 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.601 0.728 25446 2295 1 6 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.565 0.735 25446 2296 1 6 . 1 1 70 70 ARG H H 70 8.860 8.860 8.265 0.595 25446 2297 1 6 . 1 1 71 71 SER N N 71 117.722 117.722 115.047 2.675 25446 2298 1 6 . 1 1 71 71 SER HA H 71 4.346 4.346 4.189 0.157 25446 2299 1 6 . 1 1 71 71 SER CB C 71 62.962 62.962 62.752 0.210 25446 2300 1 6 . 1 1 71 71 SER H H 71 8.534 8.534 7.571 0.963 25446 2301 1 6 . 1 1 72 72 ILE N N 72 127.380 127.380 121.376 6.004 25446 2302 1 6 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.667 0.258 25446 2303 1 6 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.123 1.622 25446 2304 1 6 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.574 -0.213 25446 2305 1 6 . 1 1 72 72 ILE H H 72 8.789 8.789 7.149 1.640 25446 2306 1 6 . 1 1 73 73 ASP N N 73 121.443 121.443 121.125 0.318 25446 2307 1 6 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.307 -0.295 25446 2308 1 6 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.845 1.255 25446 2309 1 6 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.868 3.812 25446 2310 1 6 . 1 1 73 73 ASP H H 73 8.699 8.699 8.348 0.351 25446 2311 1 6 . 1 1 74 74 ALA N N 74 118.799 118.799 122.335 -3.536 25446 2312 1 6 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.129 -0.090 25446 2313 1 6 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.117 0.118 25446 2314 1 6 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.375 -0.426 25446 2315 1 6 . 1 1 74 74 ALA H H 74 8.042 8.042 7.901 0.141 25446 2316 1 6 . 1 1 75 75 PHE N N 75 121.125 121.125 119.624 1.501 25446 2317 1 6 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.156 -0.111 25446 2318 1 6 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.688 -0.737 25446 2319 1 6 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.500 -0.629 25446 2320 1 6 . 1 1 75 75 PHE H H 75 8.369 8.369 7.734 0.635 25446 2321 1 6 . 1 1 76 76 VAL N N 76 120.715 120.715 118.930 1.785 25446 2322 1 6 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.577 -0.627 25446 2323 1 6 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.018 -0.189 25446 2324 1 6 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.502 -0.275 25446 2325 1 6 . 1 1 76 76 VAL H H 76 8.555 8.555 8.706 -0.151 25446 2326 1 6 . 1 1 77 77 VAL N N 77 121.286 121.286 119.327 1.959 25446 2327 1 6 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.991 -0.498 25446 2328 1 6 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.804 0.974 25446 2329 1 6 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.345 0.521 25446 2330 1 6 . 1 1 77 77 VAL H H 77 8.770 8.770 8.566 0.204 25446 2331 1 6 . 1 1 78 78 GLY N N 78 106.349 106.349 105.490 0.859 25446 2332 1 6 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.414 0.218 25446 2333 1 6 . 1 1 78 78 GLY H H 78 7.976 7.976 8.031 -0.055 25446 2334 1 6 . 1 1 79 79 ALA N N 79 120.998 120.998 121.843 -0.845 25446 2335 1 6 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.518 -0.311 25446 2336 1 6 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.479 0.317 25446 2337 1 6 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.316 -1.050 25446 2338 1 6 . 1 1 79 79 ALA H H 79 7.647 7.647 7.173 0.474 25446 2339 1 6 . 1 1 80 80 THR N N 80 107.402 107.402 114.864 -7.462 25446 2340 1 6 . 1 1 80 80 THR HA H 80 4.454 4.454 4.426 0.029 25446 2341 1 6 . 1 1 80 80 THR CA C 80 61.337 61.337 61.654 -0.316 25446 2342 1 6 . 1 1 80 80 THR CB C 80 70.703 70.703 71.192 -0.489 25446 2343 1 6 . 1 1 80 80 THR H H 80 7.469 7.469 8.230 -0.761 25446 2344 1 6 . 1 1 81 81 THR N N 81 119.746 119.746 120.614 -0.868 25446 2345 1 6 . 1 1 81 81 THR HA H 81 4.668 4.668 4.520 0.148 25446 2346 1 6 . 1 1 81 81 THR CA C 81 60.448 60.448 57.904 2.544 25446 2347 1 6 . 1 1 81 81 THR CB C 81 70.062 70.062 69.144 0.918 25446 2348 1 6 . 1 1 81 81 THR H H 81 7.684 7.684 8.189 -0.505 25446 2349 1 6 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.494 0.205 25446 2350 1 6 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.746 -0.136 25446 2351 1 6 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.622 0.382 25446 2352 1 6 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.436 0.037 25446 2353 1 6 . 1 1 83 83 PRO CA C 83 62.811 62.811 63.157 -0.346 25446 2354 1 6 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.133 -0.052 25446 2355 1 6 . 1 1 84 84 VAL N N 84 120.611 120.611 123.421 -2.810 25446 2356 1 6 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.584 -0.537 25446 2357 1 6 . 1 1 84 84 VAL CA C 84 62.313 62.313 61.914 0.399 25446 2358 1 6 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.938 -0.066 25446 2359 1 6 . 1 1 84 84 VAL H H 84 8.240 8.240 8.367 -0.127 25446 2360 1 6 . 1 1 85 85 GLU N N 85 125.076 125.076 125.379 -0.303 25446 2361 1 6 . 1 1 85 85 GLU H H 85 8.434 8.434 8.545 -0.111 25446 2362 1 6 . 1 1 86 86 ALA N N 86 126.280 126.280 124.208 2.072 25446 2363 1 6 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.340 0.948 25446 2364 1 6 . 1 1 86 86 ALA H H 86 8.340 8.340 8.777 -0.437 25446 2365 1 6 . 1 1 87 87 LYS N N 87 121.709 121.709 124.061 -2.352 25446 2366 1 6 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.425 0.779 25446 2367 1 6 . 1 1 87 87 LYS H H 87 8.334 8.334 8.682 -0.348 25446 2368 1 6 . 1 1 88 88 LEU N N 88 125.379 125.379 118.917 6.462 25446 2369 1 6 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.123 -4.123 25446 2370 1 6 . 1 1 88 88 LEU H H 88 8.435 8.435 7.813 0.622 25446 2371 1 7 . 1 1 2 2 GLN N N 2 123.771 123.771 123.029 0.742 25446 2372 1 7 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.362 -0.232 25446 2373 1 7 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.210 2.339 25446 2374 1 7 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.680 0.482 25446 2375 1 7 . 1 1 2 2 GLN H H 2 9.634 9.634 8.613 1.021 25446 2376 1 7 . 1 1 3 3 HIS N N 3 119.013 119.013 117.280 1.733 25446 2377 1 7 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.176 1.008 25446 2378 1 7 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.625 -1.622 25446 2379 1 7 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.336 3.752 25446 2380 1 7 . 1 1 3 3 HIS H H 3 9.946 9.946 8.568 1.378 25446 2381 1 7 . 1 1 4 4 ALA N N 4 122.550 122.550 121.038 1.512 25446 2382 1 7 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.985 -0.094 25446 2383 1 7 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.891 1.669 25446 2384 1 7 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.073 -0.281 25446 2385 1 7 . 1 1 4 4 ALA H H 4 7.524 7.524 8.110 -0.586 25446 2386 1 7 . 1 1 5 5 SER N N 5 112.310 112.310 111.963 0.347 25446 2387 1 7 . 1 1 5 5 SER HA H 5 4.295 4.295 4.144 0.151 25446 2388 1 7 . 1 1 5 5 SER CA C 5 62.089 62.089 61.044 1.045 25446 2389 1 7 . 1 1 5 5 SER CB C 5 62.421 62.421 62.286 0.135 25446 2390 1 7 . 1 1 5 5 SER H H 5 8.772 8.772 8.149 0.623 25446 2391 1 7 . 1 1 6 6 VAL N N 6 122.625 122.625 122.281 0.344 25446 2392 1 7 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.809 0.302 25446 2393 1 7 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.939 -0.231 25446 2394 1 7 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.294 1.446 25446 2395 1 7 . 1 1 6 6 VAL H H 6 7.657 7.657 7.408 0.249 25446 2396 1 7 . 1 1 7 7 ILE N N 7 121.536 121.536 120.644 0.892 25446 2397 1 7 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.694 0.532 25446 2398 1 7 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.991 -0.698 25446 2399 1 7 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.152 1.479 25446 2400 1 7 . 1 1 7 7 ILE H H 7 8.526 8.526 7.441 1.085 25446 2401 1 7 . 1 1 8 8 ALA N N 8 121.229 121.229 122.115 -0.886 25446 2402 1 7 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.006 -0.110 25446 2403 1 7 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.678 0.564 25446 2404 1 7 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.332 0.399 25446 2405 1 7 . 1 1 8 8 ALA H H 8 8.946 8.946 7.865 1.081 25446 2406 1 7 . 1 1 9 9 GLN N N 9 114.998 114.998 119.307 -4.309 25446 2407 1 7 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.081 -0.208 25446 2408 1 7 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.171 0.788 25446 2409 1 7 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.178 -0.365 25446 2410 1 7 . 1 1 9 9 GLN H H 9 7.731 7.731 7.997 -0.266 25446 2411 1 7 . 1 1 10 10 PHE N N 10 120.075 120.075 122.060 -1.985 25446 2412 1 7 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.321 -0.243 25446 2413 1 7 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.388 -0.535 25446 2414 1 7 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.413 -0.590 25446 2415 1 7 . 1 1 10 10 PHE H H 10 7.299 7.299 8.773 -1.474 25446 2416 1 7 . 1 1 11 11 VAL N N 11 117.458 117.458 119.422 -1.964 25446 2417 1 7 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.732 -0.425 25446 2418 1 7 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.253 -0.809 25446 2419 1 7 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.093 -0.404 25446 2420 1 7 . 1 1 11 11 VAL H H 11 8.363 8.363 8.686 -0.323 25446 2421 1 7 . 1 1 12 12 VAL N N 12 117.722 117.722 119.857 -2.135 25446 2422 1 7 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.797 0.950 25446 2423 1 7 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.230 -0.311 25446 2424 1 7 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.096 0.171 25446 2425 1 7 . 1 1 12 12 VAL H H 12 8.289 8.289 8.379 -0.090 25446 2426 1 7 . 1 1 13 13 GLU N N 13 117.827 117.827 119.880 -2.053 25446 2427 1 7 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.817 -0.075 25446 2428 1 7 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.299 -0.106 25446 2429 1 7 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.225 0.269 25446 2430 1 7 . 1 1 13 13 GLU H H 13 7.758 7.758 8.267 -0.509 25446 2431 1 7 . 1 1 14 14 GLU N N 14 113.425 113.425 119.723 -6.298 25446 2432 1 7 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.153 -0.381 25446 2433 1 7 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.458 -1.851 25446 2434 1 7 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.340 -0.841 25446 2435 1 7 . 1 1 14 14 GLU H H 14 7.604 7.604 7.670 -0.066 25446 2436 1 7 . 1 1 15 15 PHE N N 15 114.097 114.097 114.547 -0.450 25446 2437 1 7 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.797 0.144 25446 2438 1 7 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.457 2.536 25446 2439 1 7 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.297 2.696 25446 2440 1 7 . 1 1 15 15 PHE H H 15 7.916 7.916 7.459 0.457 25446 2441 1 7 . 1 1 16 16 LEU N N 16 121.405 121.405 121.537 -0.132 25446 2442 1 7 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.409 0.558 25446 2443 1 7 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.030 -0.713 25446 2444 1 7 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.569 3.166 25446 2445 1 7 . 1 1 16 16 LEU H H 16 8.046 8.046 7.354 0.692 25446 2446 1 7 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.488 -0.114 25446 2447 1 7 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.483 2.182 25446 2448 1 7 . 1 1 18 18 ASP N N 18 116.413 116.413 117.689 -1.276 25446 2449 1 7 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.471 0.113 25446 2450 1 7 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.256 0.334 25446 2451 1 7 . 1 1 18 18 ASP H H 18 8.415 8.415 8.460 -0.045 25446 2452 1 7 . 1 1 19 19 VAL N N 19 122.077 122.077 119.036 3.041 25446 2453 1 7 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.112 0.001 25446 2454 1 7 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.864 0.483 25446 2455 1 7 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.347 -0.960 25446 2456 1 7 . 1 1 19 19 VAL H H 19 7.771 7.771 7.340 0.431 25446 2457 1 7 . 1 1 20 20 ALA N N 20 129.197 129.197 130.198 -1.001 25446 2458 1 7 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.485 0.103 25446 2459 1 7 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.172 0.056 25446 2460 1 7 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.329 -0.906 25446 2461 1 7 . 1 1 20 20 ALA H H 20 8.765 8.765 8.211 0.554 25446 2462 1 7 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.051 0.023 25446 2463 1 7 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.676 0.465 25446 2464 1 7 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.582 -0.244 25446 2465 1 7 . 1 1 22 22 ALA N N 22 115.949 115.949 117.494 -1.545 25446 2466 1 7 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.096 0.021 25446 2467 1 7 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.964 -0.181 25446 2468 1 7 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.282 0.470 25446 2469 1 7 . 1 1 22 22 ALA H H 22 8.074 8.074 8.322 -0.248 25446 2470 1 7 . 1 1 23 23 ASP N N 23 115.451 115.451 116.971 -1.520 25446 2471 1 7 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.749 -0.097 25446 2472 1 7 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.856 0.588 25446 2473 1 7 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.276 -0.137 25446 2474 1 7 . 1 1 23 23 ASP H H 23 8.023 8.023 8.318 -0.295 25446 2475 1 7 . 1 1 24 24 VAL N N 24 121.382 121.382 120.864 0.518 25446 2476 1 7 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.138 -0.310 25446 2477 1 7 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.440 1.871 25446 2478 1 7 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.476 -1.612 25446 2479 1 7 . 1 1 24 24 VAL H H 24 7.072 7.072 7.396 -0.324 25446 2480 1 7 . 1 1 25 25 ASP N N 25 129.258 129.258 127.259 1.999 25446 2481 1 7 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.637 -0.065 25446 2482 1 7 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.537 -0.067 25446 2483 1 7 . 1 1 25 25 ASP H H 25 8.499 8.499 8.817 -0.318 25446 2484 1 7 . 1 1 26 26 VAL N N 26 121.736 121.736 118.965 2.771 25446 2485 1 7 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.851 0.257 25446 2486 1 7 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.743 0.733 25446 2487 1 7 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.901 -0.683 25446 2488 1 7 . 1 1 26 26 VAL H H 26 8.566 8.566 7.831 0.735 25446 2489 1 7 . 1 1 27 27 ASP N N 27 116.233 116.233 118.286 -2.053 25446 2490 1 7 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.713 0.441 25446 2491 1 7 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.236 -0.113 25446 2492 1 7 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.466 2.126 25446 2493 1 7 . 1 1 27 27 ASP H H 27 8.638 8.638 7.977 0.661 25446 2494 1 7 . 1 1 28 28 LEU N N 28 125.046 125.046 122.983 2.063 25446 2495 1 7 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.443 -0.417 25446 2496 1 7 . 1 1 28 28 LEU CA C 28 55.867 55.867 55.016 0.851 25446 2497 1 7 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.415 -0.007 25446 2498 1 7 . 1 1 28 28 LEU H H 28 7.389 7.389 7.486 -0.097 25446 2499 1 7 . 1 1 29 29 ASP N N 29 125.807 125.807 126.527 -0.720 25446 2500 1 7 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.786 0.045 25446 2501 1 7 . 1 1 29 29 ASP H H 29 8.731 8.731 8.657 0.074 25446 2502 1 7 . 1 1 30 30 LEU N N 30 130.007 130.007 121.431 8.576 25446 2503 1 7 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.382 -0.484 25446 2504 1 7 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.280 0.139 25446 2505 1 7 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.521 0.602 25446 2506 1 7 . 1 1 30 30 LEU H H 30 9.744 9.744 8.375 1.369 25446 2507 1 7 . 1 1 31 31 VAL N N 31 121.093 121.093 122.290 -1.197 25446 2508 1 7 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.631 0.595 25446 2509 1 7 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.070 -1.679 25446 2510 1 7 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.240 0.941 25446 2511 1 7 . 1 1 31 31 VAL H H 31 8.166 8.166 7.761 0.405 25446 2512 1 7 . 1 1 32 32 ASP N N 32 124.657 124.657 119.628 5.029 25446 2513 1 7 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.380 -0.016 25446 2514 1 7 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.760 0.359 25446 2515 1 7 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.659 0.101 25446 2516 1 7 . 1 1 32 32 ASP H H 32 9.365 9.365 7.983 1.382 25446 2517 1 7 . 1 1 33 33 ASN N N 33 111.260 111.260 117.559 -6.299 25446 2518 1 7 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.633 0.107 25446 2519 1 7 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.859 0.953 25446 2520 1 7 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.997 1.109 25446 2521 1 7 . 1 1 33 33 ASN H H 33 7.423 7.423 7.867 -0.444 25446 2522 1 7 . 1 1 34 34 GLY N N 34 106.935 106.935 109.567 -2.632 25446 2523 1 7 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.076 -0.452 25446 2524 1 7 . 1 1 34 34 GLY H H 34 7.648 7.648 8.518 -0.870 25446 2525 1 7 . 1 1 35 35 VAL N N 35 120.307 120.307 122.715 -2.408 25446 2526 1 7 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.628 0.152 25446 2527 1 7 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.894 0.131 25446 2528 1 7 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.966 -0.177 25446 2529 1 7 . 1 1 35 35 VAL H H 35 7.838 7.838 7.434 0.404 25446 2530 1 7 . 1 1 36 36 ILE N N 36 116.154 116.154 119.153 -2.999 25446 2531 1 7 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.666 0.093 25446 2532 1 7 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.522 -2.946 25446 2533 1 7 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.603 1.622 25446 2534 1 7 . 1 1 36 36 ILE H H 36 7.337 7.337 8.485 -1.148 25446 2535 1 7 . 1 1 37 37 ASP N N 37 126.730 126.730 120.468 6.262 25446 2536 1 7 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.778 0.951 25446 2537 1 7 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.787 -5.150 25446 2538 1 7 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.238 1.013 25446 2539 1 7 . 1 1 37 37 ASP H H 37 7.921 7.921 8.388 -0.467 25446 2540 1 7 . 1 1 38 38 SER N N 38 113.176 113.176 114.098 -0.922 25446 2541 1 7 . 1 1 38 38 SER HA H 38 4.122 4.122 4.511 -0.389 25446 2542 1 7 . 1 1 38 38 SER CA C 38 61.062 61.062 59.611 1.451 25446 2543 1 7 . 1 1 39 39 LEU N N 39 122.521 122.521 123.600 -1.079 25446 2544 1 7 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.094 0.179 25446 2545 1 7 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.267 -0.898 25446 2546 1 7 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.953 -0.694 25446 2547 1 7 . 1 1 39 39 LEU H H 39 7.675 7.675 7.719 -0.044 25446 2548 1 7 . 1 1 40 40 GLY N N 40 111.971 111.971 106.319 5.652 25446 2549 1 7 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.000 1.120 25446 2550 1 7 . 1 1 40 40 GLY H H 40 8.776 8.776 7.592 1.184 25446 2551 1 7 . 1 1 41 41 LEU N N 41 122.579 122.579 124.041 -1.462 25446 2552 1 7 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.052 -0.207 25446 2553 1 7 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.976 0.289 25446 2554 1 7 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.890 -0.311 25446 2555 1 7 . 1 1 41 41 LEU H H 41 8.551 8.551 8.531 0.020 25446 2556 1 7 . 1 1 42 42 LEU N N 42 116.126 116.126 119.470 -3.344 25446 2557 1 7 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.907 0.102 25446 2558 1 7 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.601 -0.500 25446 2559 1 7 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.674 -0.727 25446 2560 1 7 . 1 1 42 42 LEU H H 42 7.213 7.213 8.092 -0.879 25446 2561 1 7 . 1 1 43 43 LYS N N 43 119.793 119.793 119.290 0.503 25446 2562 1 7 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.044 0.238 25446 2563 1 7 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.015 -0.445 25446 2564 1 7 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.434 0.103 25446 2565 1 7 . 1 1 43 43 LYS H H 43 7.664 7.664 7.495 0.170 25446 2566 1 7 . 1 1 44 44 VAL N N 44 121.147 121.147 120.860 0.287 25446 2567 1 7 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.014 -0.077 25446 2568 1 7 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.726 0.092 25446 2569 1 7 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.585 -0.026 25446 2570 1 7 . 1 1 44 44 VAL H H 44 8.278 8.278 8.483 -0.205 25446 2571 1 7 . 1 1 45 45 ILE N N 45 119.222 119.222 121.007 -1.785 25446 2572 1 7 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.683 -0.278 25446 2573 1 7 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.018 2.043 25446 2574 1 7 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.133 1.106 25446 2575 1 7 . 1 1 45 45 ILE H H 45 8.127 8.127 8.566 -0.439 25446 2576 1 7 . 1 1 46 46 ALA N N 46 121.011 121.011 122.623 -1.612 25446 2577 1 7 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.040 0.192 25446 2578 1 7 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.375 -0.415 25446 2579 1 7 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.498 -0.158 25446 2580 1 7 . 1 1 46 46 ALA H H 46 7.811 7.811 7.923 -0.112 25446 2581 1 7 . 1 1 47 47 TRP N N 47 121.158 121.158 121.058 0.100 25446 2582 1 7 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.509 -0.274 25446 2583 1 7 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.363 2.471 25446 2584 1 7 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.587 -1.367 25446 2585 1 7 . 1 1 47 47 TRP H H 47 8.094 8.094 8.014 0.080 25446 2586 1 7 . 1 1 48 48 LEU N N 48 118.890 118.890 121.316 -2.426 25446 2587 1 7 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.235 0.338 25446 2588 1 7 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.519 -0.327 25446 2589 1 7 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.609 0.645 25446 2590 1 7 . 1 1 48 48 LEU H H 48 8.704 8.704 8.767 -0.063 25446 2591 1 7 . 1 1 49 49 GLU N N 49 118.917 118.917 117.442 1.475 25446 2592 1 7 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.027 0.019 25446 2593 1 7 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.416 0.292 25446 2594 1 7 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.950 0.666 25446 2595 1 7 . 1 1 49 49 GLU H H 49 7.808 7.808 7.944 -0.136 25446 2596 1 7 . 1 1 50 50 ASP N N 50 119.614 119.614 119.739 -0.125 25446 2597 1 7 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.482 -0.242 25446 2598 1 7 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.056 0.953 25446 2599 1 7 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.047 1.330 25446 2600 1 7 . 1 1 50 50 ASP H H 50 7.677 7.677 7.579 0.098 25446 2601 1 7 . 1 1 51 51 ARG N N 51 116.918 116.918 117.726 -0.808 25446 2602 1 7 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.024 -0.299 25446 2603 1 7 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.313 -2.025 25446 2604 1 7 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.415 -1.131 25446 2605 1 7 . 1 1 51 51 ARG H H 51 8.876 8.876 7.990 0.886 25446 2606 1 7 . 1 1 52 52 PHE N N 52 112.278 112.278 114.295 -2.017 25446 2607 1 7 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.602 0.055 25446 2608 1 7 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.343 -1.293 25446 2609 1 7 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.631 1.121 25446 2610 1 7 . 1 1 52 52 PHE H H 52 7.330 7.330 7.688 -0.358 25446 2611 1 7 . 1 1 53 53 GLY N N 53 109.717 109.717 109.019 0.698 25446 2612 1 7 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.724 0.922 25446 2613 1 7 . 1 1 53 53 GLY H H 53 7.411 7.411 7.923 -0.512 25446 2614 1 7 . 1 1 54 54 ILE N N 54 119.148 119.148 120.013 -0.865 25446 2615 1 7 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.171 -0.228 25446 2616 1 7 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.225 0.375 25446 2617 1 7 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.512 -0.003 25446 2618 1 7 . 1 1 54 54 ILE H H 54 6.901 6.901 7.969 -1.068 25446 2619 1 7 . 1 1 55 55 ALA N N 55 129.774 129.774 127.595 2.179 25446 2620 1 7 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.327 0.075 25446 2621 1 7 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.323 -0.675 25446 2622 1 7 . 1 1 55 55 ALA H H 55 8.538 8.538 8.320 0.218 25446 2623 1 7 . 1 1 56 56 ALA N N 56 126.034 126.034 126.100 -0.066 25446 2624 1 7 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.158 0.115 25446 2625 1 7 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.442 -0.830 25446 2626 1 7 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.500 0.622 25446 2627 1 7 . 1 1 56 56 ALA H H 56 8.620 8.620 8.795 -0.175 25446 2628 1 7 . 1 1 57 57 ASP N N 57 115.649 115.649 115.509 0.140 25446 2629 1 7 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.573 -0.097 25446 2630 1 7 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.172 0.998 25446 2631 1 7 . 1 1 57 57 ASP H H 57 8.321 8.321 8.385 -0.064 25446 2632 1 7 . 1 1 58 58 ASP N N 58 118.298 118.298 120.077 -1.779 25446 2633 1 7 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.445 0.223 25446 2634 1 7 . 1 1 58 58 ASP CA C 58 54.802 54.802 56.120 -1.317 25446 2635 1 7 . 1 1 58 58 ASP H H 58 7.971 7.971 7.766 0.205 25446 2636 1 7 . 1 1 59 59 VAL N N 59 118.443 118.443 113.444 4.999 25446 2637 1 7 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.386 -0.177 25446 2638 1 7 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.012 2.058 25446 2639 1 7 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.599 -1.269 25446 2640 1 7 . 1 1 59 59 VAL H H 59 7.700 7.700 7.386 0.314 25446 2641 1 7 . 1 1 60 60 GLU N N 60 122.777 122.777 122.095 0.682 25446 2642 1 7 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.574 -0.291 25446 2643 1 7 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.479 0.839 25446 2644 1 7 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.960 -1.083 25446 2645 1 7 . 1 1 60 60 GLU H H 60 8.416 8.416 8.293 0.123 25446 2646 1 7 . 1 1 61 61 LEU N N 61 124.910 124.910 124.819 0.091 25446 2647 1 7 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.505 -0.148 25446 2648 1 7 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.206 0.955 25446 2649 1 7 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.179 -1.334 25446 2650 1 7 . 1 1 61 61 LEU H H 61 8.249 8.249 8.480 -0.231 25446 2651 1 7 . 1 1 62 62 SER N N 62 118.228 118.228 118.908 -0.680 25446 2652 1 7 . 1 1 62 62 SER HA H 62 4.816 4.816 4.959 -0.143 25446 2653 1 7 . 1 1 62 62 SER CB C 62 63.963 63.963 64.540 -0.577 25446 2654 1 7 . 1 1 62 62 SER H H 62 8.025 8.025 7.970 0.055 25446 2655 1 7 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.535 -0.281 25446 2656 1 7 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.370 -0.476 25446 2657 1 7 . 1 1 64 64 GLU N N 64 116.457 116.457 117.781 -1.324 25446 2658 1 7 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.153 -0.286 25446 2659 1 7 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.215 -0.469 25446 2660 1 7 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.002 -0.295 25446 2661 1 7 . 1 1 64 64 GLU H H 64 8.310 8.310 9.066 -0.756 25446 2662 1 7 . 1 1 65 65 HIS N N 65 114.998 114.998 119.103 -4.105 25446 2663 1 7 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.263 0.034 25446 2664 1 7 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.486 -1.121 25446 2665 1 7 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.564 0.043 25446 2666 1 7 . 1 1 65 65 HIS H H 65 7.324 7.324 7.661 -0.337 25446 2667 1 7 . 1 1 66 66 PHE N N 66 115.965 115.965 114.839 1.126 25446 2668 1 7 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.688 0.094 25446 2669 1 7 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.237 -2.571 25446 2670 1 7 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.547 0.438 25446 2671 1 7 . 1 1 66 66 PHE H H 66 7.245 7.245 7.516 -0.271 25446 2672 1 7 . 1 1 67 67 ARG N N 67 112.179 112.179 118.386 -6.207 25446 2673 1 7 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.032 0.052 25446 2674 1 7 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.340 -0.049 25446 2675 1 7 . 1 1 67 67 ARG CB C 67 31.637 31.637 31.021 0.615 25446 2676 1 7 . 1 1 67 67 ARG H H 67 6.632 6.632 7.611 -0.979 25446 2677 1 7 . 1 1 68 68 SER N N 68 109.181 109.181 108.185 0.996 25446 2678 1 7 . 1 1 68 68 SER HA H 68 4.985 4.985 4.733 0.252 25446 2679 1 7 . 1 1 68 68 SER CA C 68 55.664 55.664 56.731 -1.067 25446 2680 1 7 . 1 1 68 68 SER CB C 68 67.608 67.608 66.420 1.188 25446 2681 1 7 . 1 1 68 68 SER H H 68 8.139 8.139 7.399 0.740 25446 2682 1 7 . 1 1 69 69 ILE N N 69 122.526 122.526 122.635 -0.109 25446 2683 1 7 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.856 -0.174 25446 2684 1 7 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.203 1.535 25446 2685 1 7 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.864 -0.875 25446 2686 1 7 . 1 1 69 69 ILE H H 69 9.770 9.770 9.074 0.696 25446 2687 1 7 . 1 1 70 70 ARG N N 70 118.671 118.671 119.146 -0.475 25446 2688 1 7 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.174 -0.206 25446 2689 1 7 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.493 0.835 25446 2690 1 7 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.686 0.614 25446 2691 1 7 . 1 1 70 70 ARG H H 70 8.860 8.860 8.452 0.408 25446 2692 1 7 . 1 1 71 71 SER N N 71 117.722 117.722 115.023 2.699 25446 2693 1 7 . 1 1 71 71 SER HA H 71 4.346 4.346 4.154 0.192 25446 2694 1 7 . 1 1 71 71 SER CB C 71 62.962 62.962 62.636 0.326 25446 2695 1 7 . 1 1 71 71 SER H H 71 8.534 8.534 7.626 0.908 25446 2696 1 7 . 1 1 72 72 ILE N N 72 127.380 127.380 121.683 5.697 25446 2697 1 7 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.541 0.384 25446 2698 1 7 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.315 1.430 25446 2699 1 7 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.603 -0.242 25446 2700 1 7 . 1 1 72 72 ILE H H 72 8.789 8.789 7.361 1.429 25446 2701 1 7 . 1 1 73 73 ASP N N 73 121.443 121.443 120.552 0.891 25446 2702 1 7 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.263 -0.251 25446 2703 1 7 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.662 1.438 25446 2704 1 7 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.840 3.840 25446 2705 1 7 . 1 1 73 73 ASP H H 73 8.699 8.699 8.072 0.627 25446 2706 1 7 . 1 1 74 74 ALA N N 74 118.799 118.799 122.271 -3.472 25446 2707 1 7 . 1 1 74 74 ALA HA H 74 4.039 4.039 3.988 0.051 25446 2708 1 7 . 1 1 74 74 ALA CA C 74 55.235 55.235 54.918 0.317 25446 2709 1 7 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.079 -0.130 25446 2710 1 7 . 1 1 74 74 ALA H H 74 8.042 8.042 7.499 0.543 25446 2711 1 7 . 1 1 75 75 PHE N N 75 121.125 121.125 117.943 3.182 25446 2712 1 7 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.188 -0.143 25446 2713 1 7 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.984 -1.033 25446 2714 1 7 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.782 0.089 25446 2715 1 7 . 1 1 75 75 PHE H H 75 8.369 8.369 7.516 0.853 25446 2716 1 7 . 1 1 76 76 VAL N N 76 120.715 120.715 119.116 1.599 25446 2717 1 7 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.687 -0.737 25446 2718 1 7 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.731 0.098 25446 2719 1 7 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.231 -0.004 25446 2720 1 7 . 1 1 76 76 VAL H H 76 8.555 8.555 8.571 -0.016 25446 2721 1 7 . 1 1 77 77 VAL N N 77 121.286 121.286 119.416 1.870 25446 2722 1 7 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.656 -0.163 25446 2723 1 7 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.337 0.441 25446 2724 1 7 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.038 0.828 25446 2725 1 7 . 1 1 77 77 VAL H H 77 8.770 8.770 8.528 0.242 25446 2726 1 7 . 1 1 78 78 GLY N N 78 106.349 106.349 105.766 0.583 25446 2727 1 7 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.614 0.018 25446 2728 1 7 . 1 1 78 78 GLY H H 78 7.976 7.976 8.053 -0.077 25446 2729 1 7 . 1 1 79 79 ALA N N 79 120.998 120.998 121.649 -0.651 25446 2730 1 7 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.613 -0.406 25446 2731 1 7 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.811 -0.015 25446 2732 1 7 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.841 -1.575 25446 2733 1 7 . 1 1 79 79 ALA H H 79 7.647 7.647 7.449 0.198 25446 2734 1 7 . 1 1 80 80 THR N N 80 107.402 107.402 112.389 -4.987 25446 2735 1 7 . 1 1 80 80 THR HA H 80 4.454 4.454 4.434 0.020 25446 2736 1 7 . 1 1 80 80 THR CA C 80 61.337 61.337 61.816 -0.479 25446 2737 1 7 . 1 1 80 80 THR CB C 80 70.703 70.703 69.965 0.738 25446 2738 1 7 . 1 1 80 80 THR H H 80 7.469 7.469 8.247 -0.778 25446 2739 1 7 . 1 1 81 81 THR N N 81 119.746 119.746 117.754 1.992 25446 2740 1 7 . 1 1 81 81 THR HA H 81 4.668 4.668 4.660 0.008 25446 2741 1 7 . 1 1 81 81 THR CA C 81 60.448 60.448 58.942 1.506 25446 2742 1 7 . 1 1 81 81 THR CB C 81 70.062 70.062 69.348 0.714 25446 2743 1 7 . 1 1 81 81 THR H H 81 7.684 7.684 7.977 -0.293 25446 2744 1 7 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.914 -0.215 25446 2745 1 7 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.700 0.910 25446 2746 1 7 . 1 1 82 82 PRO CB C 82 31.004 31.004 32.290 -1.286 25446 2747 1 7 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.442 0.031 25446 2748 1 7 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.389 0.422 25446 2749 1 7 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.851 -0.770 25446 2750 1 7 . 1 1 84 84 VAL N N 84 120.611 120.611 122.679 -2.068 25446 2751 1 7 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.244 -0.197 25446 2752 1 7 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.852 1.462 25446 2753 1 7 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.777 -1.905 25446 2754 1 7 . 1 1 84 84 VAL H H 84 8.240 8.240 8.099 0.141 25446 2755 1 7 . 1 1 85 85 GLU N N 85 125.076 125.076 124.564 0.512 25446 2756 1 7 . 1 1 85 85 GLU H H 85 8.434 8.434 8.844 -0.410 25446 2757 1 7 . 1 1 86 86 ALA N N 86 126.280 126.280 118.747 7.533 25446 2758 1 7 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.122 1.166 25446 2759 1 7 . 1 1 86 86 ALA H H 86 8.340 8.340 7.608 0.732 25446 2760 1 7 . 1 1 87 87 LYS N N 87 121.709 121.709 120.430 1.279 25446 2761 1 7 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.897 0.307 25446 2762 1 7 . 1 1 87 87 LYS H H 87 8.334 8.334 8.594 -0.260 25446 2763 1 7 . 1 1 88 88 LEU N N 88 125.379 125.379 125.684 -0.305 25446 2764 1 7 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.063 -4.063 25446 2765 1 7 . 1 1 88 88 LEU H H 88 8.435 8.435 8.545 -0.110 25446 2766 1 8 . 1 1 2 2 GLN N N 2 123.771 123.771 121.326 2.445 25446 2767 1 8 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.313 -0.183 25446 2768 1 8 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.598 1.951 25446 2769 1 8 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.577 1.585 25446 2770 1 8 . 1 1 2 2 GLN H H 2 9.634 9.634 8.536 1.098 25446 2771 1 8 . 1 1 3 3 HIS N N 3 119.013 119.013 120.989 -1.976 25446 2772 1 8 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.106 1.078 25446 2773 1 8 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.970 -0.967 25446 2774 1 8 . 1 1 3 3 HIS CB C 3 31.088 31.088 28.213 2.875 25446 2775 1 8 . 1 1 3 3 HIS H H 3 9.946 9.946 9.048 0.898 25446 2776 1 8 . 1 1 4 4 ALA N N 4 122.550 122.550 120.678 1.872 25446 2777 1 8 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.019 -0.128 25446 2778 1 8 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.025 1.535 25446 2779 1 8 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.007 -0.215 25446 2780 1 8 . 1 1 4 4 ALA H H 4 7.524 7.524 8.349 -0.825 25446 2781 1 8 . 1 1 5 5 SER N N 5 112.310 112.310 114.815 -2.505 25446 2782 1 8 . 1 1 5 5 SER HA H 5 4.295 4.295 4.142 0.153 25446 2783 1 8 . 1 1 5 5 SER CA C 5 62.089 62.089 61.438 0.652 25446 2784 1 8 . 1 1 5 5 SER CB C 5 62.421 62.421 62.639 -0.218 25446 2785 1 8 . 1 1 5 5 SER H H 5 8.772 8.772 8.291 0.481 25446 2786 1 8 . 1 1 6 6 VAL N N 6 122.625 122.625 122.281 0.344 25446 2787 1 8 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.800 0.311 25446 2788 1 8 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.435 -0.727 25446 2789 1 8 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.649 1.091 25446 2790 1 8 . 1 1 6 6 VAL H H 6 7.657 7.657 7.311 0.346 25446 2791 1 8 . 1 1 7 7 ILE N N 7 121.536 121.536 120.415 1.121 25446 2792 1 8 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.587 0.639 25446 2793 1 8 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.018 -0.725 25446 2794 1 8 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.285 1.346 25446 2795 1 8 . 1 1 7 7 ILE H H 7 8.526 8.526 7.417 1.109 25446 2796 1 8 . 1 1 8 8 ALA N N 8 121.229 121.229 121.284 -0.055 25446 2797 1 8 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.061 -0.165 25446 2798 1 8 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.500 0.742 25446 2799 1 8 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.291 0.440 25446 2800 1 8 . 1 1 8 8 ALA H H 8 8.946 8.946 8.010 0.936 25446 2801 1 8 . 1 1 9 9 GLN N N 9 114.998 114.998 119.161 -4.163 25446 2802 1 8 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.151 -0.278 25446 2803 1 8 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.383 0.577 25446 2804 1 8 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.260 -0.447 25446 2805 1 8 . 1 1 9 9 GLN H H 9 7.731 7.731 8.441 -0.710 25446 2806 1 8 . 1 1 10 10 PHE N N 10 120.075 120.075 122.341 -2.266 25446 2807 1 8 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.266 -0.188 25446 2808 1 8 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.870 -1.017 25446 2809 1 8 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.268 -0.445 25446 2810 1 8 . 1 1 10 10 PHE H H 10 7.299 7.299 8.792 -1.493 25446 2811 1 8 . 1 1 11 11 VAL N N 11 117.458 117.458 119.543 -2.085 25446 2812 1 8 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.925 -0.619 25446 2813 1 8 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.684 0.760 25446 2814 1 8 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.570 -0.882 25446 2815 1 8 . 1 1 11 11 VAL H H 11 8.363 8.363 7.798 0.565 25446 2816 1 8 . 1 1 12 12 VAL N N 12 117.722 117.722 119.821 -2.099 25446 2817 1 8 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.700 0.047 25446 2818 1 8 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.237 -1.318 25446 2819 1 8 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.788 -0.521 25446 2820 1 8 . 1 1 12 12 VAL H H 12 8.289 8.289 8.024 0.265 25446 2821 1 8 . 1 1 13 13 GLU N N 13 117.827 117.827 119.669 -1.842 25446 2822 1 8 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.941 -0.199 25446 2823 1 8 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.306 -0.113 25446 2824 1 8 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.440 0.054 25446 2825 1 8 . 1 1 13 13 GLU H H 13 7.758 7.758 8.417 -0.659 25446 2826 1 8 . 1 1 14 14 GLU N N 14 113.425 113.425 117.856 -4.431 25446 2827 1 8 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.810 -0.038 25446 2828 1 8 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.062 -1.455 25446 2829 1 8 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.335 0.164 25446 2830 1 8 . 1 1 14 14 GLU H H 14 7.604 7.604 7.688 -0.084 25446 2831 1 8 . 1 1 15 15 PHE N N 15 114.097 114.097 114.963 -0.866 25446 2832 1 8 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.642 0.299 25446 2833 1 8 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.106 -1.113 25446 2834 1 8 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.817 1.175 25446 2835 1 8 . 1 1 15 15 PHE H H 15 7.916 7.916 7.276 0.640 25446 2836 1 8 . 1 1 16 16 LEU N N 16 121.405 121.405 120.912 0.493 25446 2837 1 8 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.808 0.159 25446 2838 1 8 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.732 -0.415 25446 2839 1 8 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.591 1.144 25446 2840 1 8 . 1 1 16 16 LEU H H 16 8.046 8.046 8.186 -0.140 25446 2841 1 8 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.623 -0.249 25446 2842 1 8 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.276 1.389 25446 2843 1 8 . 1 1 18 18 ASP N N 18 116.413 116.413 118.504 -2.091 25446 2844 1 8 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.607 -0.023 25446 2845 1 8 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.542 0.048 25446 2846 1 8 . 1 1 18 18 ASP H H 18 8.415 8.415 8.718 -0.303 25446 2847 1 8 . 1 1 19 19 VAL N N 19 122.077 122.077 119.463 2.614 25446 2848 1 8 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.166 -0.053 25446 2849 1 8 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.817 0.530 25446 2850 1 8 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.842 -1.455 25446 2851 1 8 . 1 1 19 19 VAL H H 19 7.771 7.771 7.117 0.654 25446 2852 1 8 . 1 1 20 20 ALA N N 20 129.197 129.197 128.298 0.899 25446 2853 1 8 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.384 0.204 25446 2854 1 8 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.880 -0.652 25446 2855 1 8 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.088 -0.665 25446 2856 1 8 . 1 1 20 20 ALA H H 20 8.765 8.765 8.510 0.255 25446 2857 1 8 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.249 -0.175 25446 2858 1 8 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.207 0.934 25446 2859 1 8 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.979 -0.641 25446 2860 1 8 . 1 1 22 22 ALA N N 22 115.949 115.949 118.173 -2.224 25446 2861 1 8 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.223 -0.106 25446 2862 1 8 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.835 -0.052 25446 2863 1 8 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.373 0.379 25446 2864 1 8 . 1 1 22 22 ALA H H 22 8.074 8.074 8.023 0.051 25446 2865 1 8 . 1 1 23 23 ASP N N 23 115.451 115.451 117.539 -2.088 25446 2866 1 8 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.769 -0.117 25446 2867 1 8 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.187 0.257 25446 2868 1 8 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.312 -0.172 25446 2869 1 8 . 1 1 23 23 ASP H H 23 8.023 8.023 7.750 0.273 25446 2870 1 8 . 1 1 24 24 VAL N N 24 121.382 121.382 120.579 0.803 25446 2871 1 8 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.154 -0.326 25446 2872 1 8 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.379 1.932 25446 2873 1 8 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.127 -1.263 25446 2874 1 8 . 1 1 24 24 VAL H H 24 7.072 7.072 7.367 -0.295 25446 2875 1 8 . 1 1 25 25 ASP N N 25 129.258 129.258 126.206 3.052 25446 2876 1 8 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.565 0.007 25446 2877 1 8 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.023 0.447 25446 2878 1 8 . 1 1 25 25 ASP H H 25 8.499 8.499 8.748 -0.249 25446 2879 1 8 . 1 1 26 26 VAL N N 26 121.736 121.736 121.370 0.366 25446 2880 1 8 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.915 0.193 25446 2881 1 8 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.321 1.155 25446 2882 1 8 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.364 -0.147 25446 2883 1 8 . 1 1 26 26 VAL H H 26 8.566 8.566 8.046 0.520 25446 2884 1 8 . 1 1 27 27 ASP N N 27 116.233 116.233 118.358 -2.125 25446 2885 1 8 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.694 0.460 25446 2886 1 8 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.482 -0.359 25446 2887 1 8 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.729 1.863 25446 2888 1 8 . 1 1 27 27 ASP H H 27 8.638 8.638 7.827 0.811 25446 2889 1 8 . 1 1 28 28 LEU N N 28 125.046 125.046 122.783 2.263 25446 2890 1 8 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.406 -0.380 25446 2891 1 8 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.491 1.376 25446 2892 1 8 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.673 -0.265 25446 2893 1 8 . 1 1 28 28 LEU H H 28 7.389 7.389 7.401 -0.012 25446 2894 1 8 . 1 1 29 29 ASP N N 29 125.807 125.807 125.736 0.071 25446 2895 1 8 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.659 0.172 25446 2896 1 8 . 1 1 29 29 ASP H H 29 8.731 8.731 8.554 0.177 25446 2897 1 8 . 1 1 30 30 LEU N N 30 130.007 130.007 123.900 6.107 25446 2898 1 8 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.146 -0.248 25446 2899 1 8 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.431 -0.012 25446 2900 1 8 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.493 0.630 25446 2901 1 8 . 1 1 30 30 LEU H H 30 9.744 9.744 8.408 1.336 25446 2902 1 8 . 1 1 31 31 VAL N N 31 121.093 121.093 122.026 -0.933 25446 2903 1 8 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.579 0.647 25446 2904 1 8 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.941 -1.550 25446 2905 1 8 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.703 0.478 25446 2906 1 8 . 1 1 31 31 VAL H H 31 8.166 8.166 7.794 0.372 25446 2907 1 8 . 1 1 32 32 ASP N N 32 124.657 124.657 119.792 4.865 25446 2908 1 8 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.374 -0.010 25446 2909 1 8 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.023 0.096 25446 2910 1 8 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.033 0.727 25446 2911 1 8 . 1 1 32 32 ASP H H 32 9.365 9.365 8.033 1.332 25446 2912 1 8 . 1 1 33 33 ASN N N 33 111.260 111.260 117.646 -6.386 25446 2913 1 8 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.601 0.139 25446 2914 1 8 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.855 0.957 25446 2915 1 8 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.058 1.048 25446 2916 1 8 . 1 1 33 33 ASN H H 33 7.423 7.423 8.008 -0.585 25446 2917 1 8 . 1 1 34 34 GLY N N 34 106.935 106.935 109.716 -2.781 25446 2918 1 8 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.978 -0.354 25446 2919 1 8 . 1 1 34 34 GLY H H 34 7.648 7.648 8.553 -0.905 25446 2920 1 8 . 1 1 35 35 VAL N N 35 120.307 120.307 122.513 -2.206 25446 2921 1 8 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.640 0.140 25446 2922 1 8 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.847 0.178 25446 2923 1 8 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.759 0.031 25446 2924 1 8 . 1 1 35 35 VAL H H 35 7.838 7.838 7.451 0.387 25446 2925 1 8 . 1 1 36 36 ILE N N 36 116.154 116.154 119.363 -3.209 25446 2926 1 8 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.921 -0.162 25446 2927 1 8 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.605 -3.029 25446 2928 1 8 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.876 1.349 25446 2929 1 8 . 1 1 36 36 ILE H H 36 7.337 7.337 8.725 -1.388 25446 2930 1 8 . 1 1 37 37 ASP N N 37 126.730 126.730 120.354 6.376 25446 2931 1 8 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.740 0.989 25446 2932 1 8 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.726 -5.089 25446 2933 1 8 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.152 1.099 25446 2934 1 8 . 1 1 37 37 ASP H H 37 7.921 7.921 8.203 -0.282 25446 2935 1 8 . 1 1 38 38 SER N N 38 113.176 113.176 113.771 -0.595 25446 2936 1 8 . 1 1 38 38 SER HA H 38 4.122 4.122 4.553 -0.431 25446 2937 1 8 . 1 1 38 38 SER CA C 38 61.062 61.062 60.020 1.042 25446 2938 1 8 . 1 1 39 39 LEU N N 39 122.521 122.521 122.864 -0.343 25446 2939 1 8 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.117 0.156 25446 2940 1 8 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.451 -1.081 25446 2941 1 8 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.962 -0.703 25446 2942 1 8 . 1 1 39 39 LEU H H 39 7.675 7.675 7.780 -0.105 25446 2943 1 8 . 1 1 40 40 GLY N N 40 111.971 111.971 106.502 5.469 25446 2944 1 8 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.984 1.136 25446 2945 1 8 . 1 1 40 40 GLY H H 40 8.776 8.776 7.629 1.147 25446 2946 1 8 . 1 1 41 41 LEU N N 41 122.579 122.579 123.682 -1.103 25446 2947 1 8 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.149 -0.304 25446 2948 1 8 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.839 0.426 25446 2949 1 8 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.032 -0.453 25446 2950 1 8 . 1 1 41 41 LEU H H 41 8.551 8.551 8.492 0.059 25446 2951 1 8 . 1 1 42 42 LEU N N 42 116.126 116.126 119.364 -3.238 25446 2952 1 8 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.915 0.094 25446 2953 1 8 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.617 -0.516 25446 2954 1 8 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.714 -0.767 25446 2955 1 8 . 1 1 42 42 LEU H H 42 7.213 7.213 8.081 -0.868 25446 2956 1 8 . 1 1 43 43 LYS N N 43 119.793 119.793 118.983 0.810 25446 2957 1 8 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.068 0.214 25446 2958 1 8 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.897 -0.327 25446 2959 1 8 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.392 0.145 25446 2960 1 8 . 1 1 43 43 LYS H H 43 7.664 7.664 7.503 0.161 25446 2961 1 8 . 1 1 44 44 VAL N N 44 121.147 121.147 121.522 -0.375 25446 2962 1 8 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.957 -0.020 25446 2963 1 8 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.943 -0.125 25446 2964 1 8 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.568 -0.009 25446 2965 1 8 . 1 1 44 44 VAL H H 44 8.278 8.278 8.379 -0.101 25446 2966 1 8 . 1 1 45 45 ILE N N 45 119.222 119.222 120.115 -0.893 25446 2967 1 8 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.666 -0.261 25446 2968 1 8 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.371 2.690 25446 2969 1 8 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.964 2.275 25446 2970 1 8 . 1 1 45 45 ILE H H 45 8.127 8.127 8.473 -0.346 25446 2971 1 8 . 1 1 46 46 ALA N N 46 121.011 121.011 122.636 -1.625 25446 2972 1 8 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.164 0.068 25446 2973 1 8 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.114 -0.154 25446 2974 1 8 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.439 -0.099 25446 2975 1 8 . 1 1 46 46 ALA H H 46 7.811 7.811 7.741 0.070 25446 2976 1 8 . 1 1 47 47 TRP N N 47 121.158 121.158 121.112 0.046 25446 2977 1 8 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.518 -0.283 25446 2978 1 8 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.263 2.571 25446 2979 1 8 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.614 -1.394 25446 2980 1 8 . 1 1 47 47 TRP H H 47 8.094 8.094 8.209 -0.115 25446 2981 1 8 . 1 1 48 48 LEU N N 48 118.890 118.890 121.274 -2.384 25446 2982 1 8 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.226 0.347 25446 2983 1 8 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.319 -0.127 25446 2984 1 8 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.484 0.770 25446 2985 1 8 . 1 1 48 48 LEU H H 48 8.704 8.704 8.682 0.022 25446 2986 1 8 . 1 1 49 49 GLU N N 49 118.917 118.917 118.160 0.757 25446 2987 1 8 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.981 0.065 25446 2988 1 8 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.379 0.329 25446 2989 1 8 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.616 1.000 25446 2990 1 8 . 1 1 49 49 GLU H H 49 7.808 7.808 8.149 -0.341 25446 2991 1 8 . 1 1 50 50 ASP N N 50 119.614 119.614 120.235 -0.621 25446 2992 1 8 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.445 -0.205 25446 2993 1 8 . 1 1 50 50 ASP CA C 50 57.009 57.009 55.880 1.129 25446 2994 1 8 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.942 1.435 25446 2995 1 8 . 1 1 50 50 ASP H H 50 7.677 7.677 7.604 0.073 25446 2996 1 8 . 1 1 51 51 ARG N N 51 116.918 116.918 118.339 -1.421 25446 2997 1 8 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.012 -0.287 25446 2998 1 8 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.497 -2.209 25446 2999 1 8 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.488 -1.204 25446 3000 1 8 . 1 1 51 51 ARG H H 51 8.876 8.876 7.890 0.986 25446 3001 1 8 . 1 1 52 52 PHE N N 52 112.278 112.278 113.926 -1.648 25446 3002 1 8 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.651 0.006 25446 3003 1 8 . 1 1 52 52 PHE CA C 52 57.050 57.050 57.935 -0.885 25446 3004 1 8 . 1 1 52 52 PHE CB C 52 40.752 40.752 40.598 0.154 25446 3005 1 8 . 1 1 52 52 PHE H H 52 7.330 7.330 7.648 -0.318 25446 3006 1 8 . 1 1 53 53 GLY N N 53 109.717 109.717 109.933 -0.216 25446 3007 1 8 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.681 0.965 25446 3008 1 8 . 1 1 53 53 GLY H H 53 7.411 7.411 8.477 -1.066 25446 3009 1 8 . 1 1 54 54 ILE N N 54 119.148 119.148 120.555 -1.407 25446 3010 1 8 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.182 -0.239 25446 3011 1 8 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.343 0.257 25446 3012 1 8 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.416 0.093 25446 3013 1 8 . 1 1 54 54 ILE H H 54 6.901 6.901 7.500 -0.599 25446 3014 1 8 . 1 1 55 55 ALA N N 55 129.774 129.774 128.716 1.058 25446 3015 1 8 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.288 0.114 25446 3016 1 8 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.419 -0.771 25446 3017 1 8 . 1 1 55 55 ALA H H 55 8.538 8.538 8.221 0.317 25446 3018 1 8 . 1 1 56 56 ALA N N 56 126.034 126.034 123.825 2.209 25446 3019 1 8 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.134 0.139 25446 3020 1 8 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.223 0.389 25446 3021 1 8 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.962 0.160 25446 3022 1 8 . 1 1 56 56 ALA H H 56 8.620 8.620 8.340 0.280 25446 3023 1 8 . 1 1 57 57 ASP N N 57 115.649 115.649 115.461 0.188 25446 3024 1 8 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.448 0.028 25446 3025 1 8 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.603 0.567 25446 3026 1 8 . 1 1 57 57 ASP H H 57 8.321 8.321 8.433 -0.112 25446 3027 1 8 . 1 1 58 58 ASP N N 58 118.298 118.298 114.727 3.571 25446 3028 1 8 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.461 0.207 25446 3029 1 8 . 1 1 58 58 ASP CA C 58 54.802 54.802 53.820 0.982 25446 3030 1 8 . 1 1 58 58 ASP H H 58 7.971 7.971 8.402 -0.431 25446 3031 1 8 . 1 1 59 59 VAL N N 59 118.443 118.443 119.783 -1.340 25446 3032 1 8 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.830 0.379 25446 3033 1 8 . 1 1 59 59 VAL CA C 59 62.070 62.070 64.103 -2.033 25446 3034 1 8 . 1 1 59 59 VAL CB C 59 33.330 33.330 31.955 1.375 25446 3035 1 8 . 1 1 59 59 VAL H H 59 7.700 7.700 7.784 -0.084 25446 3036 1 8 . 1 1 60 60 GLU N N 60 122.777 122.777 119.290 3.487 25446 3037 1 8 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.442 -0.159 25446 3038 1 8 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.010 0.308 25446 3039 1 8 . 1 1 60 60 GLU CB C 60 29.877 29.877 29.955 -0.078 25446 3040 1 8 . 1 1 60 60 GLU H H 60 8.416 8.416 8.156 0.260 25446 3041 1 8 . 1 1 61 61 LEU N N 61 124.910 124.910 123.885 1.025 25446 3042 1 8 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.688 -0.331 25446 3043 1 8 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.539 0.623 25446 3044 1 8 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.377 -1.532 25446 3045 1 8 . 1 1 61 61 LEU H H 61 8.249 8.249 8.484 -0.235 25446 3046 1 8 . 1 1 62 62 SER N N 62 118.228 118.228 117.002 1.226 25446 3047 1 8 . 1 1 62 62 SER HA H 62 4.816 4.816 5.013 -0.197 25446 3048 1 8 . 1 1 62 62 SER CB C 62 63.963 63.963 65.079 -1.115 25446 3049 1 8 . 1 1 62 62 SER H H 62 8.025 8.025 8.249 -0.224 25446 3050 1 8 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.615 -0.361 25446 3051 1 8 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.913 -0.019 25446 3052 1 8 . 1 1 64 64 GLU N N 64 116.457 116.457 118.457 -2.000 25446 3053 1 8 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.113 -0.246 25446 3054 1 8 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.355 -0.609 25446 3055 1 8 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.986 -0.279 25446 3056 1 8 . 1 1 64 64 GLU H H 64 8.310 8.310 8.992 -0.682 25446 3057 1 8 . 1 1 65 65 HIS N N 65 114.998 114.998 119.232 -4.234 25446 3058 1 8 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.192 0.105 25446 3059 1 8 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.067 -0.702 25446 3060 1 8 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.622 -0.015 25446 3061 1 8 . 1 1 65 65 HIS H H 65 7.324 7.324 7.734 -0.410 25446 3062 1 8 . 1 1 66 66 PHE N N 66 115.965 115.965 114.317 1.648 25446 3063 1 8 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.505 0.277 25446 3064 1 8 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.162 -2.496 25446 3065 1 8 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.806 0.178 25446 3066 1 8 . 1 1 66 66 PHE H H 66 7.245 7.245 7.631 -0.386 25446 3067 1 8 . 1 1 67 67 ARG N N 67 112.179 112.179 119.949 -7.770 25446 3068 1 8 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.989 0.095 25446 3069 1 8 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.361 -0.070 25446 3070 1 8 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.832 0.805 25446 3071 1 8 . 1 1 67 67 ARG H H 67 6.632 6.632 7.551 -0.919 25446 3072 1 8 . 1 1 68 68 SER N N 68 109.181 109.181 108.172 1.009 25446 3073 1 8 . 1 1 68 68 SER HA H 68 4.985 4.985 4.649 0.336 25446 3074 1 8 . 1 1 68 68 SER CA C 68 55.664 55.664 56.616 -0.952 25446 3075 1 8 . 1 1 68 68 SER CB C 68 67.608 67.608 66.186 1.423 25446 3076 1 8 . 1 1 68 68 SER H H 68 8.139 8.139 7.416 0.723 25446 3077 1 8 . 1 1 69 69 ILE N N 69 122.526 122.526 123.145 -0.619 25446 3078 1 8 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.727 -0.045 25446 3079 1 8 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.016 1.722 25446 3080 1 8 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.814 -0.826 25446 3081 1 8 . 1 1 69 69 ILE H H 69 9.770 9.770 8.889 0.881 25446 3082 1 8 . 1 1 70 70 ARG N N 70 118.671 118.671 119.151 -0.480 25446 3083 1 8 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.956 0.012 25446 3084 1 8 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.747 0.582 25446 3085 1 8 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.588 0.712 25446 3086 1 8 . 1 1 70 70 ARG H H 70 8.860 8.860 8.450 0.410 25446 3087 1 8 . 1 1 71 71 SER N N 71 117.722 117.722 115.248 2.474 25446 3088 1 8 . 1 1 71 71 SER HA H 71 4.346 4.346 4.166 0.180 25446 3089 1 8 . 1 1 71 71 SER CB C 71 62.962 62.962 62.825 0.137 25446 3090 1 8 . 1 1 71 71 SER H H 71 8.534 8.534 7.630 0.904 25446 3091 1 8 . 1 1 72 72 ILE N N 72 127.380 127.380 121.373 6.007 25446 3092 1 8 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.458 0.467 25446 3093 1 8 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.975 1.770 25446 3094 1 8 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.509 -0.148 25446 3095 1 8 . 1 1 72 72 ILE H H 72 8.789 8.789 7.101 1.688 25446 3096 1 8 . 1 1 73 73 ASP N N 73 121.443 121.443 120.991 0.452 25446 3097 1 8 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.219 -0.207 25446 3098 1 8 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.418 1.682 25446 3099 1 8 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.549 3.131 25446 3100 1 8 . 1 1 73 73 ASP H H 73 8.699 8.699 8.218 0.481 25446 3101 1 8 . 1 1 74 74 ALA N N 74 118.799 118.799 121.799 -3.000 25446 3102 1 8 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.066 -0.027 25446 3103 1 8 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.084 0.151 25446 3104 1 8 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.247 -0.298 25446 3105 1 8 . 1 1 74 74 ALA H H 74 8.042 8.042 7.858 0.184 25446 3106 1 8 . 1 1 75 75 PHE N N 75 121.125 121.125 119.627 1.498 25446 3107 1 8 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.121 -0.076 25446 3108 1 8 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.726 -0.775 25446 3109 1 8 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.484 -0.613 25446 3110 1 8 . 1 1 75 75 PHE H H 75 8.369 8.369 7.690 0.679 25446 3111 1 8 . 1 1 76 76 VAL N N 76 120.715 120.715 119.150 1.565 25446 3112 1 8 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.483 -0.533 25446 3113 1 8 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.170 -0.341 25446 3114 1 8 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.851 -0.624 25446 3115 1 8 . 1 1 76 76 VAL H H 76 8.555 8.555 8.470 0.085 25446 3116 1 8 . 1 1 77 77 VAL N N 77 121.286 121.286 119.606 1.680 25446 3117 1 8 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.583 -0.090 25446 3118 1 8 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.865 0.913 25446 3119 1 8 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.142 0.724 25446 3120 1 8 . 1 1 77 77 VAL H H 77 8.770 8.770 8.452 0.318 25446 3121 1 8 . 1 1 78 78 GLY N N 78 106.349 106.349 105.928 0.421 25446 3122 1 8 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.537 0.095 25446 3123 1 8 . 1 1 78 78 GLY H H 78 7.976 7.976 8.114 -0.138 25446 3124 1 8 . 1 1 79 79 ALA N N 79 120.998 120.998 121.485 -0.487 25446 3125 1 8 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.485 -0.278 25446 3126 1 8 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.675 0.121 25446 3127 1 8 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.646 -1.380 25446 3128 1 8 . 1 1 79 79 ALA H H 79 7.647 7.647 7.258 0.389 25446 3129 1 8 . 1 1 80 80 THR N N 80 107.402 107.402 112.552 -5.150 25446 3130 1 8 . 1 1 80 80 THR HA H 80 4.454 4.454 4.381 0.073 25446 3131 1 8 . 1 1 80 80 THR CA C 80 61.337 61.337 61.635 -0.298 25446 3132 1 8 . 1 1 80 80 THR CB C 80 70.703 70.703 69.885 0.818 25446 3133 1 8 . 1 1 80 80 THR H H 80 7.469 7.469 8.214 -0.745 25446 3134 1 8 . 1 1 81 81 THR N N 81 119.746 119.746 117.991 1.755 25446 3135 1 8 . 1 1 81 81 THR HA H 81 4.668 4.668 4.644 0.024 25446 3136 1 8 . 1 1 81 81 THR CA C 81 60.448 60.448 58.370 2.078 25446 3137 1 8 . 1 1 81 81 THR CB C 81 70.062 70.062 69.342 0.720 25446 3138 1 8 . 1 1 81 81 THR H H 81 7.684 7.684 7.977 -0.293 25446 3139 1 8 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.891 -0.192 25446 3140 1 8 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.757 0.853 25446 3141 1 8 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.324 -0.320 25446 3142 1 8 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.522 -0.049 25446 3143 1 8 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.242 0.569 25446 3144 1 8 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.373 -0.292 25446 3145 1 8 . 1 1 84 84 VAL N N 84 120.611 120.611 119.118 1.493 25446 3146 1 8 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.518 -0.471 25446 3147 1 8 . 1 1 84 84 VAL CA C 84 62.313 62.313 59.672 2.641 25446 3148 1 8 . 1 1 84 84 VAL CB C 84 32.872 32.872 35.294 -2.422 25446 3149 1 8 . 1 1 84 84 VAL H H 84 8.240 8.240 8.103 0.137 25446 3150 1 8 . 1 1 85 85 GLU N N 85 125.076 125.076 125.656 -0.580 25446 3151 1 8 . 1 1 85 85 GLU H H 85 8.434 8.434 8.907 -0.473 25446 3152 1 8 . 1 1 86 86 ALA N N 86 126.280 126.280 117.037 9.243 25446 3153 1 8 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.036 1.252 25446 3154 1 8 . 1 1 86 86 ALA H H 86 8.340 8.340 7.346 0.994 25446 3155 1 8 . 1 1 87 87 LYS N N 87 121.709 121.709 122.312 -0.603 25446 3156 1 8 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.311 0.893 25446 3157 1 8 . 1 1 87 87 LYS H H 87 8.334 8.334 9.461 -1.127 25446 3158 1 8 . 1 1 88 88 LEU N N 88 125.379 125.379 118.085 7.294 25446 3159 1 8 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.880 -3.880 25446 3160 1 8 . 1 1 88 88 LEU H H 88 8.435 8.435 8.204 0.231 25446 3161 1 9 . 1 1 2 2 GLN N N 2 123.771 123.771 119.233 4.538 25446 3162 1 9 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.124 0.006 25446 3163 1 9 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.083 -0.534 25446 3164 1 9 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.041 1.121 25446 3165 1 9 . 1 1 2 2 GLN H H 2 9.634 9.634 8.568 1.066 25446 3166 1 9 . 1 1 3 3 HIS N N 3 119.013 119.013 114.432 4.581 25446 3167 1 9 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.781 0.403 25446 3168 1 9 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.535 -0.532 25446 3169 1 9 . 1 1 3 3 HIS CB C 3 31.088 31.088 31.969 -0.881 25446 3170 1 9 . 1 1 3 3 HIS H H 3 9.946 9.946 7.944 2.002 25446 3171 1 9 . 1 1 4 4 ALA N N 4 122.550 122.550 123.686 -1.136 25446 3172 1 9 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.042 -0.151 25446 3173 1 9 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.309 1.251 25446 3174 1 9 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.489 0.303 25446 3175 1 9 . 1 1 4 4 ALA H H 4 7.524 7.524 7.793 -0.269 25446 3176 1 9 . 1 1 5 5 SER N N 5 112.310 112.310 113.792 -1.482 25446 3177 1 9 . 1 1 5 5 SER HA H 5 4.295 4.295 4.134 0.161 25446 3178 1 9 . 1 1 5 5 SER CA C 5 62.089 62.089 61.773 0.316 25446 3179 1 9 . 1 1 5 5 SER CB C 5 62.421 62.421 62.808 -0.387 25446 3180 1 9 . 1 1 5 5 SER H H 5 8.772 8.772 8.361 0.411 25446 3181 1 9 . 1 1 6 6 VAL N N 6 122.625 122.625 121.859 0.766 25446 3182 1 9 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.792 0.319 25446 3183 1 9 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.131 0.577 25446 3184 1 9 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.029 1.711 25446 3185 1 9 . 1 1 6 6 VAL H H 6 7.657 7.657 7.223 0.434 25446 3186 1 9 . 1 1 7 7 ILE N N 7 121.536 121.536 121.017 0.519 25446 3187 1 9 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.648 0.578 25446 3188 1 9 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.135 -0.842 25446 3189 1 9 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.240 1.391 25446 3190 1 9 . 1 1 7 7 ILE H H 7 8.526 8.526 7.622 0.904 25446 3191 1 9 . 1 1 8 8 ALA N N 8 121.229 121.229 121.421 -0.192 25446 3192 1 9 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.993 -0.097 25446 3193 1 9 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.502 0.740 25446 3194 1 9 . 1 1 8 8 ALA CB C 8 18.731 18.731 17.967 0.764 25446 3195 1 9 . 1 1 8 8 ALA H H 8 8.946 8.946 8.103 0.843 25446 3196 1 9 . 1 1 9 9 GLN N N 9 114.998 114.998 119.123 -4.125 25446 3197 1 9 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.062 -0.189 25446 3198 1 9 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.831 0.128 25446 3199 1 9 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.858 -1.046 25446 3200 1 9 . 1 1 9 9 GLN H H 9 7.731 7.731 7.880 -0.149 25446 3201 1 9 . 1 1 10 10 PHE N N 10 120.075 120.075 121.268 -1.193 25446 3202 1 9 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.201 -0.123 25446 3203 1 9 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.356 -0.503 25446 3204 1 9 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.397 -0.574 25446 3205 1 9 . 1 1 10 10 PHE H H 10 7.299 7.299 8.860 -1.561 25446 3206 1 9 . 1 1 11 11 VAL N N 11 117.458 117.458 118.219 -0.761 25446 3207 1 9 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.696 -0.389 25446 3208 1 9 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.145 -0.701 25446 3209 1 9 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.848 -0.160 25446 3210 1 9 . 1 1 11 11 VAL H H 11 8.363 8.363 8.395 -0.032 25446 3211 1 9 . 1 1 12 12 VAL N N 12 117.722 117.722 115.941 1.781 25446 3212 1 9 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.909 -0.162 25446 3213 1 9 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.874 0.045 25446 3214 1 9 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.976 0.291 25446 3215 1 9 . 1 1 12 12 VAL H H 12 8.289 8.289 8.002 0.287 25446 3216 1 9 . 1 1 13 13 GLU N N 13 117.827 117.827 120.549 -2.722 25446 3217 1 9 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.891 -0.149 25446 3218 1 9 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.168 0.025 25446 3219 1 9 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.060 0.434 25446 3220 1 9 . 1 1 13 13 GLU H H 13 7.758 7.758 8.148 -0.390 25446 3221 1 9 . 1 1 14 14 GLU N N 14 113.425 113.425 117.543 -4.118 25446 3222 1 9 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.661 0.111 25446 3223 1 9 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.477 -0.870 25446 3224 1 9 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.353 0.146 25446 3225 1 9 . 1 1 14 14 GLU H H 14 7.604 7.604 7.274 0.330 25446 3226 1 9 . 1 1 15 15 PHE N N 15 114.097 114.097 113.857 0.240 25446 3227 1 9 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.717 0.224 25446 3228 1 9 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.245 2.748 25446 3229 1 9 . 1 1 15 15 PHE CB C 15 41.992 41.992 38.047 3.945 25446 3230 1 9 . 1 1 15 15 PHE H H 15 7.916 7.916 7.389 0.527 25446 3231 1 9 . 1 1 16 16 LEU N N 16 121.405 121.405 121.220 0.185 25446 3232 1 9 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.769 0.198 25446 3233 1 9 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.951 -0.634 25446 3234 1 9 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.535 3.200 25446 3235 1 9 . 1 1 16 16 LEU H H 16 8.046 8.046 7.880 0.166 25446 3236 1 9 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.428 -0.054 25446 3237 1 9 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.474 2.191 25446 3238 1 9 . 1 1 18 18 ASP N N 18 116.413 116.413 118.611 -2.198 25446 3239 1 9 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.630 -0.046 25446 3240 1 9 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.447 0.143 25446 3241 1 9 . 1 1 18 18 ASP H H 18 8.415 8.415 8.459 -0.044 25446 3242 1 9 . 1 1 19 19 VAL N N 19 122.077 122.077 119.158 2.919 25446 3243 1 9 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.080 0.033 25446 3244 1 9 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.742 0.605 25446 3245 1 9 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.858 -0.471 25446 3246 1 9 . 1 1 19 19 VAL H H 19 7.771 7.771 7.392 0.379 25446 3247 1 9 . 1 1 20 20 ALA N N 20 129.197 129.197 130.390 -1.193 25446 3248 1 9 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.600 -0.012 25446 3249 1 9 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.146 0.082 25446 3250 1 9 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.314 -0.891 25446 3251 1 9 . 1 1 20 20 ALA H H 20 8.765 8.765 8.447 0.318 25446 3252 1 9 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.112 -0.038 25446 3253 1 9 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.638 0.504 25446 3254 1 9 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.925 -0.587 25446 3255 1 9 . 1 1 22 22 ALA N N 22 115.949 115.949 115.543 0.406 25446 3256 1 9 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.166 -0.049 25446 3257 1 9 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.801 -0.018 25446 3258 1 9 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.391 0.361 25446 3259 1 9 . 1 1 22 22 ALA H H 22 8.074 8.074 7.850 0.224 25446 3260 1 9 . 1 1 23 23 ASP N N 23 115.451 115.451 117.324 -1.873 25446 3261 1 9 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.745 -0.093 25446 3262 1 9 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.910 0.534 25446 3263 1 9 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.365 -0.225 25446 3264 1 9 . 1 1 23 23 ASP H H 23 8.023 8.023 8.417 -0.394 25446 3265 1 9 . 1 1 24 24 VAL N N 24 121.382 121.382 121.077 0.305 25446 3266 1 9 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.114 -0.286 25446 3267 1 9 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.187 1.124 25446 3268 1 9 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.380 -1.516 25446 3269 1 9 . 1 1 24 24 VAL H H 24 7.072 7.072 7.368 -0.296 25446 3270 1 9 . 1 1 25 25 ASP N N 25 129.258 129.258 128.158 1.100 25446 3271 1 9 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.650 -0.078 25446 3272 1 9 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.189 0.281 25446 3273 1 9 . 1 1 25 25 ASP H H 25 8.499 8.499 8.851 -0.352 25446 3274 1 9 . 1 1 26 26 VAL N N 26 121.736 121.736 119.363 2.373 25446 3275 1 9 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.856 0.252 25446 3276 1 9 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.839 0.637 25446 3277 1 9 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.505 -0.288 25446 3278 1 9 . 1 1 26 26 VAL H H 26 8.566 8.566 7.953 0.613 25446 3279 1 9 . 1 1 27 27 ASP N N 27 116.233 116.233 118.139 -1.906 25446 3280 1 9 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.674 0.480 25446 3281 1 9 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.092 0.031 25446 3282 1 9 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.531 2.061 25446 3283 1 9 . 1 1 27 27 ASP H H 27 8.638 8.638 7.895 0.743 25446 3284 1 9 . 1 1 28 28 LEU N N 28 125.046 125.046 122.814 2.232 25446 3285 1 9 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.478 -0.452 25446 3286 1 9 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.862 1.005 25446 3287 1 9 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.687 -0.279 25446 3288 1 9 . 1 1 28 28 LEU H H 28 7.389 7.389 7.618 -0.229 25446 3289 1 9 . 1 1 29 29 ASP N N 29 125.807 125.807 125.376 0.431 25446 3290 1 9 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.718 0.113 25446 3291 1 9 . 1 1 29 29 ASP H H 29 8.731 8.731 8.617 0.114 25446 3292 1 9 . 1 1 30 30 LEU N N 30 130.007 130.007 120.409 9.598 25446 3293 1 9 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.385 -0.487 25446 3294 1 9 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.273 0.146 25446 3295 1 9 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.563 0.560 25446 3296 1 9 . 1 1 30 30 LEU H H 30 9.744 9.744 8.250 1.494 25446 3297 1 9 . 1 1 31 31 VAL N N 31 121.093 121.093 122.494 -1.401 25446 3298 1 9 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.633 0.593 25446 3299 1 9 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.751 -2.360 25446 3300 1 9 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.980 1.201 25446 3301 1 9 . 1 1 31 31 VAL H H 31 8.166 8.166 7.912 0.254 25446 3302 1 9 . 1 1 32 32 ASP N N 32 124.657 124.657 119.918 4.739 25446 3303 1 9 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.376 -0.012 25446 3304 1 9 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.952 0.167 25446 3305 1 9 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.062 0.698 25446 3306 1 9 . 1 1 32 32 ASP H H 32 9.365 9.365 8.112 1.253 25446 3307 1 9 . 1 1 33 33 ASN N N 33 111.260 111.260 117.592 -6.332 25446 3308 1 9 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.665 0.075 25446 3309 1 9 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.738 1.074 25446 3310 1 9 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.042 1.064 25446 3311 1 9 . 1 1 33 33 ASN H H 33 7.423 7.423 7.992 -0.569 25446 3312 1 9 . 1 1 34 34 GLY N N 34 106.935 106.935 109.737 -2.802 25446 3313 1 9 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.096 -0.472 25446 3314 1 9 . 1 1 34 34 GLY H H 34 7.648 7.648 8.701 -1.053 25446 3315 1 9 . 1 1 35 35 VAL N N 35 120.307 120.307 122.445 -2.138 25446 3316 1 9 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.583 0.197 25446 3317 1 9 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.966 0.059 25446 3318 1 9 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.212 0.577 25446 3319 1 9 . 1 1 35 35 VAL H H 35 7.838 7.838 7.425 0.413 25446 3320 1 9 . 1 1 36 36 ILE N N 36 116.154 116.154 119.674 -3.520 25446 3321 1 9 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.989 -0.230 25446 3322 1 9 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.632 -3.056 25446 3323 1 9 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.765 1.460 25446 3324 1 9 . 1 1 36 36 ILE H H 36 7.337 7.337 8.635 -1.298 25446 3325 1 9 . 1 1 37 37 ASP N N 37 126.730 126.730 119.183 7.547 25446 3326 1 9 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.701 1.028 25446 3327 1 9 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.581 -4.944 25446 3328 1 9 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.150 1.101 25446 3329 1 9 . 1 1 37 37 ASP H H 37 7.921 7.921 8.246 -0.325 25446 3330 1 9 . 1 1 38 38 SER N N 38 113.176 113.176 113.198 -0.022 25446 3331 1 9 . 1 1 38 38 SER HA H 38 4.122 4.122 4.657 -0.535 25446 3332 1 9 . 1 1 38 38 SER CA C 38 61.062 61.062 58.962 2.100 25446 3333 1 9 . 1 1 39 39 LEU N N 39 122.521 122.521 124.543 -2.022 25446 3334 1 9 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.204 0.069 25446 3335 1 9 . 1 1 39 39 LEU CA C 39 57.370 57.370 57.430 -0.060 25446 3336 1 9 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.736 -0.477 25446 3337 1 9 . 1 1 39 39 LEU H H 39 7.675 7.675 7.657 0.018 25446 3338 1 9 . 1 1 40 40 GLY N N 40 111.971 111.971 106.238 5.733 25446 3339 1 9 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.133 0.987 25446 3340 1 9 . 1 1 40 40 GLY H H 40 8.776 8.776 7.717 1.059 25446 3341 1 9 . 1 1 41 41 LEU N N 41 122.579 122.579 123.909 -1.330 25446 3342 1 9 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.118 -0.273 25446 3343 1 9 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.994 0.271 25446 3344 1 9 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.008 -0.429 25446 3345 1 9 . 1 1 41 41 LEU H H 41 8.551 8.551 8.510 0.041 25446 3346 1 9 . 1 1 42 42 LEU N N 42 116.126 116.126 119.230 -3.104 25446 3347 1 9 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.963 0.045 25446 3348 1 9 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.456 -0.355 25446 3349 1 9 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.754 -0.807 25446 3350 1 9 . 1 1 42 42 LEU H H 42 7.213 7.213 7.823 -0.610 25446 3351 1 9 . 1 1 43 43 LYS N N 43 119.793 119.793 119.383 0.410 25446 3352 1 9 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.067 0.215 25446 3353 1 9 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.846 -0.276 25446 3354 1 9 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.319 0.218 25446 3355 1 9 . 1 1 43 43 LYS H H 43 7.664 7.664 7.505 0.159 25446 3356 1 9 . 1 1 44 44 VAL N N 44 121.147 121.147 120.706 0.441 25446 3357 1 9 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.066 -0.129 25446 3358 1 9 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.231 -0.413 25446 3359 1 9 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.537 0.022 25446 3360 1 9 . 1 1 44 44 VAL H H 44 8.278 8.278 8.564 -0.286 25446 3361 1 9 . 1 1 45 45 ILE N N 45 119.222 119.222 120.882 -1.660 25446 3362 1 9 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.792 -0.387 25446 3363 1 9 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.438 1.623 25446 3364 1 9 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.067 1.172 25446 3365 1 9 . 1 1 45 45 ILE H H 45 8.127 8.127 7.965 0.162 25446 3366 1 9 . 1 1 46 46 ALA N N 46 121.011 121.011 122.929 -1.918 25446 3367 1 9 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.168 0.064 25446 3368 1 9 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.020 -0.060 25446 3369 1 9 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.653 -0.313 25446 3370 1 9 . 1 1 46 46 ALA H H 46 7.811 7.811 7.664 0.147 25446 3371 1 9 . 1 1 47 47 TRP N N 47 121.158 121.158 121.005 0.153 25446 3372 1 9 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.438 -0.203 25446 3373 1 9 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.433 1.401 25446 3374 1 9 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.972 -1.752 25446 3375 1 9 . 1 1 47 47 TRP H H 47 8.094 8.094 8.524 -0.430 25446 3376 1 9 . 1 1 48 48 LEU N N 48 118.890 118.890 122.017 -3.127 25446 3377 1 9 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.781 0.792 25446 3378 1 9 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.593 -0.401 25446 3379 1 9 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.671 0.583 25446 3380 1 9 . 1 1 48 48 LEU H H 48 8.704 8.704 9.153 -0.449 25446 3381 1 9 . 1 1 49 49 GLU N N 49 118.917 118.917 119.320 -0.403 25446 3382 1 9 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.071 -0.025 25446 3383 1 9 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.505 0.203 25446 3384 1 9 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.131 0.485 25446 3385 1 9 . 1 1 49 49 GLU H H 49 7.808 7.808 7.855 -0.047 25446 3386 1 9 . 1 1 50 50 ASP N N 50 119.614 119.614 119.695 -0.081 25446 3387 1 9 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.381 -0.141 25446 3388 1 9 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.282 0.727 25446 3389 1 9 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.838 1.539 25446 3390 1 9 . 1 1 50 50 ASP H H 50 7.677 7.677 7.413 0.264 25446 3391 1 9 . 1 1 51 51 ARG N N 51 116.918 116.918 118.082 -1.164 25446 3392 1 9 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.865 -0.140 25446 3393 1 9 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.390 -2.102 25446 3394 1 9 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.198 -0.914 25446 3395 1 9 . 1 1 51 51 ARG H H 51 8.876 8.876 7.683 1.193 25446 3396 1 9 . 1 1 52 52 PHE N N 52 112.278 112.278 113.942 -1.664 25446 3397 1 9 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.549 0.108 25446 3398 1 9 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.297 -1.247 25446 3399 1 9 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.650 1.102 25446 3400 1 9 . 1 1 52 52 PHE H H 52 7.330 7.330 7.766 -0.436 25446 3401 1 9 . 1 1 53 53 GLY N N 53 109.717 109.717 109.173 0.544 25446 3402 1 9 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.661 0.985 25446 3403 1 9 . 1 1 53 53 GLY H H 53 7.411 7.411 8.101 -0.690 25446 3404 1 9 . 1 1 54 54 ILE N N 54 119.148 119.148 120.171 -1.023 25446 3405 1 9 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.170 -0.227 25446 3406 1 9 . 1 1 54 54 ILE CA C 54 60.600 60.600 59.956 0.644 25446 3407 1 9 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.709 -0.200 25446 3408 1 9 . 1 1 54 54 ILE H H 54 6.901 6.901 7.299 -0.398 25446 3409 1 9 . 1 1 55 55 ALA N N 55 129.774 129.774 128.196 1.578 25446 3410 1 9 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.219 0.183 25446 3411 1 9 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.724 -1.075 25446 3412 1 9 . 1 1 55 55 ALA H H 55 8.538 8.538 8.223 0.315 25446 3413 1 9 . 1 1 56 56 ALA N N 56 126.034 126.034 123.153 2.881 25446 3414 1 9 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.087 0.186 25446 3415 1 9 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.669 -0.057 25446 3416 1 9 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.998 0.124 25446 3417 1 9 . 1 1 56 56 ALA H H 56 8.620 8.620 8.322 0.298 25446 3418 1 9 . 1 1 57 57 ASP N N 57 115.649 115.649 115.999 -0.350 25446 3419 1 9 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.431 0.045 25446 3420 1 9 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.537 0.633 25446 3421 1 9 . 1 1 57 57 ASP H H 57 8.321 8.321 8.334 -0.013 25446 3422 1 9 . 1 1 58 58 ASP N N 58 118.298 118.298 120.034 -1.736 25446 3423 1 9 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.546 0.122 25446 3424 1 9 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.436 0.366 25446 3425 1 9 . 1 1 58 58 ASP H H 58 7.971 7.971 8.240 -0.269 25446 3426 1 9 . 1 1 59 59 VAL N N 59 118.443 118.443 121.219 -2.776 25446 3427 1 9 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.533 -0.324 25446 3428 1 9 . 1 1 59 59 VAL CA C 59 62.070 62.070 59.855 2.215 25446 3429 1 9 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.799 -1.469 25446 3430 1 9 . 1 1 59 59 VAL H H 59 7.700 7.700 8.036 -0.336 25446 3431 1 9 . 1 1 60 60 GLU N N 60 122.777 122.777 121.852 0.925 25446 3432 1 9 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.460 -0.177 25446 3433 1 9 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.053 0.265 25446 3434 1 9 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.180 -0.303 25446 3435 1 9 . 1 1 60 60 GLU H H 60 8.416 8.416 8.417 -0.001 25446 3436 1 9 . 1 1 61 61 LEU N N 61 124.910 124.910 126.054 -1.144 25446 3437 1 9 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.705 -0.348 25446 3438 1 9 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.251 0.911 25446 3439 1 9 . 1 1 61 61 LEU CB C 61 41.845 41.845 44.156 -2.311 25446 3440 1 9 . 1 1 61 61 LEU H H 61 8.249 8.249 8.552 -0.303 25446 3441 1 9 . 1 1 62 62 SER N N 62 118.228 118.228 118.745 -0.517 25446 3442 1 9 . 1 1 62 62 SER HA H 62 4.816 4.816 4.932 -0.116 25446 3443 1 9 . 1 1 62 62 SER CB C 62 63.963 63.963 63.464 0.499 25446 3444 1 9 . 1 1 62 62 SER H H 62 8.025 8.025 8.182 -0.157 25446 3445 1 9 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.538 -0.284 25446 3446 1 9 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.106 -0.212 25446 3447 1 9 . 1 1 64 64 GLU N N 64 116.457 116.457 118.494 -2.037 25446 3448 1 9 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.123 -0.256 25446 3449 1 9 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.411 -0.665 25446 3450 1 9 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.028 -0.321 25446 3451 1 9 . 1 1 64 64 GLU H H 64 8.310 8.310 8.991 -0.681 25446 3452 1 9 . 1 1 65 65 HIS N N 65 114.998 114.998 119.048 -4.050 25446 3453 1 9 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.243 0.054 25446 3454 1 9 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.662 -1.297 25446 3455 1 9 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.858 -0.251 25446 3456 1 9 . 1 1 65 65 HIS H H 65 7.324 7.324 7.904 -0.580 25446 3457 1 9 . 1 1 66 66 PHE N N 66 115.965 115.965 114.996 0.969 25446 3458 1 9 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.615 0.167 25446 3459 1 9 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.048 -2.382 25446 3460 1 9 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.456 0.528 25446 3461 1 9 . 1 1 66 66 PHE H H 66 7.245 7.245 7.519 -0.274 25446 3462 1 9 . 1 1 67 67 ARG N N 67 112.179 112.179 118.233 -6.054 25446 3463 1 9 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.015 0.069 25446 3464 1 9 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.367 -0.076 25446 3465 1 9 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.971 0.666 25446 3466 1 9 . 1 1 67 67 ARG H H 67 6.632 6.632 7.475 -0.843 25446 3467 1 9 . 1 1 68 68 SER N N 68 109.181 109.181 108.731 0.450 25446 3468 1 9 . 1 1 68 68 SER HA H 68 4.985 4.985 4.630 0.355 25446 3469 1 9 . 1 1 68 68 SER CA C 68 55.664 55.664 56.108 -0.444 25446 3470 1 9 . 1 1 68 68 SER CB C 68 67.608 67.608 64.666 2.942 25446 3471 1 9 . 1 1 68 68 SER H H 68 8.139 8.139 7.437 0.702 25446 3472 1 9 . 1 1 69 69 ILE N N 69 122.526 122.526 125.653 -3.127 25446 3473 1 9 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.748 -0.066 25446 3474 1 9 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.314 1.423 25446 3475 1 9 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.866 -0.878 25446 3476 1 9 . 1 1 69 69 ILE H H 69 9.770 9.770 9.066 0.704 25446 3477 1 9 . 1 1 70 70 ARG N N 70 118.671 118.671 119.170 -0.499 25446 3478 1 9 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.989 -0.021 25446 3479 1 9 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.878 0.451 25446 3480 1 9 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.792 0.508 25446 3481 1 9 . 1 1 70 70 ARG H H 70 8.860 8.860 7.765 1.095 25446 3482 1 9 . 1 1 71 71 SER N N 71 117.722 117.722 115.933 1.789 25446 3483 1 9 . 1 1 71 71 SER HA H 71 4.346 4.346 4.106 0.240 25446 3484 1 9 . 1 1 71 71 SER CB C 71 62.962 62.962 62.623 0.339 25446 3485 1 9 . 1 1 71 71 SER H H 71 8.534 8.534 7.426 1.109 25446 3486 1 9 . 1 1 72 72 ILE N N 72 127.380 127.380 122.112 5.268 25446 3487 1 9 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.685 0.240 25446 3488 1 9 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.175 1.570 25446 3489 1 9 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.760 -0.399 25446 3490 1 9 . 1 1 72 72 ILE H H 72 8.789 8.789 7.183 1.606 25446 3491 1 9 . 1 1 73 73 ASP N N 73 121.443 121.443 121.004 0.439 25446 3492 1 9 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.281 -0.269 25446 3493 1 9 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.474 1.626 25446 3494 1 9 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.558 3.122 25446 3495 1 9 . 1 1 73 73 ASP H H 73 8.699 8.699 8.076 0.623 25446 3496 1 9 . 1 1 74 74 ALA N N 74 118.799 118.799 121.901 -3.102 25446 3497 1 9 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.084 -0.045 25446 3498 1 9 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.146 0.089 25446 3499 1 9 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.232 -0.283 25446 3500 1 9 . 1 1 74 74 ALA H H 74 8.042 8.042 7.752 0.290 25446 3501 1 9 . 1 1 75 75 PHE N N 75 121.125 121.125 119.538 1.587 25446 3502 1 9 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.167 -0.122 25446 3503 1 9 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.698 -0.747 25446 3504 1 9 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.541 -0.670 25446 3505 1 9 . 1 1 75 75 PHE H H 75 8.369 8.369 7.631 0.738 25446 3506 1 9 . 1 1 76 76 VAL N N 76 120.715 120.715 119.430 1.285 25446 3507 1 9 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.463 -0.513 25446 3508 1 9 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.424 -0.595 25446 3509 1 9 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.909 -0.682 25446 3510 1 9 . 1 1 76 76 VAL H H 76 8.555 8.555 8.413 0.142 25446 3511 1 9 . 1 1 77 77 VAL N N 77 121.286 121.286 119.149 2.137 25446 3512 1 9 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.843 -0.350 25446 3513 1 9 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.710 1.068 25446 3514 1 9 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.830 0.036 25446 3515 1 9 . 1 1 77 77 VAL H H 77 8.770 8.770 8.465 0.305 25446 3516 1 9 . 1 1 78 78 GLY N N 78 106.349 106.349 105.644 0.705 25446 3517 1 9 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.442 0.190 25446 3518 1 9 . 1 1 78 78 GLY H H 78 7.976 7.976 7.897 0.079 25446 3519 1 9 . 1 1 79 79 ALA N N 79 120.998 120.998 121.911 -0.913 25446 3520 1 9 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.473 -0.266 25446 3521 1 9 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.475 0.321 25446 3522 1 9 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.266 -1.000 25446 3523 1 9 . 1 1 79 79 ALA H H 79 7.647 7.647 7.113 0.534 25446 3524 1 9 . 1 1 80 80 THR N N 80 107.402 107.402 115.369 -7.967 25446 3525 1 9 . 1 1 80 80 THR HA H 80 4.454 4.454 4.340 0.114 25446 3526 1 9 . 1 1 80 80 THR CA C 80 61.337 61.337 62.134 -0.797 25446 3527 1 9 . 1 1 80 80 THR CB C 80 70.703 70.703 71.169 -0.466 25446 3528 1 9 . 1 1 80 80 THR H H 80 7.469 7.469 8.254 -0.785 25446 3529 1 9 . 1 1 81 81 THR N N 81 119.746 119.746 120.021 -0.275 25446 3530 1 9 . 1 1 81 81 THR HA H 81 4.668 4.668 4.617 0.051 25446 3531 1 9 . 1 1 81 81 THR CA C 81 60.448 60.448 58.136 2.312 25446 3532 1 9 . 1 1 81 81 THR CB C 81 70.062 70.062 69.436 0.626 25446 3533 1 9 . 1 1 81 81 THR H H 81 7.684 7.684 8.265 -0.581 25446 3534 1 9 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.751 -0.052 25446 3535 1 9 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.532 0.078 25446 3536 1 9 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.767 0.237 25446 3537 1 9 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.476 -0.003 25446 3538 1 9 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.972 -0.161 25446 3539 1 9 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.650 -0.569 25446 3540 1 9 . 1 1 84 84 VAL N N 84 120.611 120.611 120.124 0.487 25446 3541 1 9 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.669 -0.622 25446 3542 1 9 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.260 2.053 25446 3543 1 9 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.318 -1.446 25446 3544 1 9 . 1 1 84 84 VAL H H 84 8.240 8.240 8.364 -0.124 25446 3545 1 9 . 1 1 85 85 GLU N N 85 125.076 125.076 127.408 -2.332 25446 3546 1 9 . 1 1 85 85 GLU H H 85 8.434 8.434 8.426 0.008 25446 3547 1 9 . 1 1 86 86 ALA N N 86 126.280 126.280 123.588 2.692 25446 3548 1 9 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.765 -0.477 25446 3549 1 9 . 1 1 86 86 ALA H H 86 8.340 8.340 8.313 0.027 25446 3550 1 9 . 1 1 87 87 LYS N N 87 121.709 121.709 122.176 -0.467 25446 3551 1 9 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.599 0.605 25446 3552 1 9 . 1 1 87 87 LYS H H 87 8.334 8.334 8.477 -0.143 25446 3553 1 9 . 1 1 88 88 LEU N N 88 125.379 125.379 119.250 6.129 25446 3554 1 9 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.429 -4.429 25446 3555 1 9 . 1 1 88 88 LEU H H 88 8.435 8.435 7.673 0.762 25446 3556 1 10 . 1 1 2 2 GLN N N 2 123.771 123.771 118.790 4.981 25446 3557 1 10 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.028 0.102 25446 3558 1 10 . 1 1 2 2 GLN CA C 2 57.549 57.549 56.694 0.855 25446 3559 1 10 . 1 1 2 2 GLN CB C 2 30.162 30.162 27.061 3.101 25446 3560 1 10 . 1 1 2 2 GLN H H 2 9.634 9.634 8.553 1.081 25446 3561 1 10 . 1 1 3 3 HIS N N 3 119.013 119.013 112.416 6.597 25446 3562 1 10 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.076 1.108 25446 3563 1 10 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.493 -1.490 25446 3564 1 10 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.262 1.826 25446 3565 1 10 . 1 1 3 3 HIS H H 3 9.946 9.946 8.522 1.424 25446 3566 1 10 . 1 1 4 4 ALA N N 4 122.550 122.550 122.094 0.456 25446 3567 1 10 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.031 -0.140 25446 3568 1 10 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.922 1.637 25446 3569 1 10 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.667 0.125 25446 3570 1 10 . 1 1 4 4 ALA H H 4 7.524 7.524 8.608 -1.084 25446 3571 1 10 . 1 1 5 5 SER N N 5 112.310 112.310 113.474 -1.164 25446 3572 1 10 . 1 1 5 5 SER HA H 5 4.295 4.295 4.182 0.113 25446 3573 1 10 . 1 1 5 5 SER CA C 5 62.089 62.089 61.642 0.447 25446 3574 1 10 . 1 1 5 5 SER CB C 5 62.421 62.421 62.332 0.089 25446 3575 1 10 . 1 1 5 5 SER H H 5 8.772 8.772 8.477 0.295 25446 3576 1 10 . 1 1 6 6 VAL N N 6 122.625 122.625 121.635 0.990 25446 3577 1 10 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.719 0.392 25446 3578 1 10 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.040 -0.332 25446 3579 1 10 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.818 0.922 25446 3580 1 10 . 1 1 6 6 VAL H H 6 7.657 7.657 7.375 0.282 25446 3581 1 10 . 1 1 7 7 ILE N N 7 121.536 121.536 120.279 1.257 25446 3582 1 10 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.757 0.469 25446 3583 1 10 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.588 -0.295 25446 3584 1 10 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.534 1.097 25446 3585 1 10 . 1 1 7 7 ILE H H 7 8.526 8.526 7.447 1.079 25446 3586 1 10 . 1 1 8 8 ALA N N 8 121.229 121.229 121.958 -0.729 25446 3587 1 10 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.045 -0.149 25446 3588 1 10 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.634 0.608 25446 3589 1 10 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.224 0.507 25446 3590 1 10 . 1 1 8 8 ALA H H 8 8.946 8.946 8.655 0.291 25446 3591 1 10 . 1 1 9 9 GLN N N 9 114.998 114.998 118.977 -3.979 25446 3592 1 10 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.037 -0.164 25446 3593 1 10 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.242 0.717 25446 3594 1 10 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.143 -0.331 25446 3595 1 10 . 1 1 9 9 GLN H H 9 7.731 7.731 8.465 -0.734 25446 3596 1 10 . 1 1 10 10 PHE N N 10 120.075 120.075 121.686 -1.611 25446 3597 1 10 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.222 -0.144 25446 3598 1 10 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.286 -0.433 25446 3599 1 10 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.355 -0.532 25446 3600 1 10 . 1 1 10 10 PHE H H 10 7.299 7.299 8.570 -1.271 25446 3601 1 10 . 1 1 11 11 VAL N N 11 117.458 117.458 118.758 -1.300 25446 3602 1 10 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.618 -0.311 25446 3603 1 10 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.279 -0.835 25446 3604 1 10 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.081 -0.393 25446 3605 1 10 . 1 1 11 11 VAL H H 11 8.363 8.363 8.434 -0.071 25446 3606 1 10 . 1 1 12 12 VAL N N 12 117.722 117.722 119.876 -2.154 25446 3607 1 10 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.828 0.919 25446 3608 1 10 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.829 0.090 25446 3609 1 10 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.076 0.191 25446 3610 1 10 . 1 1 12 12 VAL H H 12 8.289 8.289 8.268 0.021 25446 3611 1 10 . 1 1 13 13 GLU N N 13 117.827 117.827 119.670 -1.843 25446 3612 1 10 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.768 -0.026 25446 3613 1 10 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.075 0.118 25446 3614 1 10 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.106 0.388 25446 3615 1 10 . 1 1 13 13 GLU H H 13 7.758 7.758 8.237 -0.479 25446 3616 1 10 . 1 1 14 14 GLU N N 14 113.425 113.425 120.282 -6.857 25446 3617 1 10 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.039 -0.267 25446 3618 1 10 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.372 -1.765 25446 3619 1 10 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.128 -0.629 25446 3620 1 10 . 1 1 14 14 GLU H H 14 7.604 7.604 7.622 -0.018 25446 3621 1 10 . 1 1 15 15 PHE N N 15 114.097 114.097 114.206 -0.109 25446 3622 1 10 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.743 0.198 25446 3623 1 10 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.410 2.583 25446 3624 1 10 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.403 2.589 25446 3625 1 10 . 1 1 15 15 PHE H H 15 7.916 7.916 7.401 0.515 25446 3626 1 10 . 1 1 16 16 LEU N N 16 121.405 121.405 121.496 -0.091 25446 3627 1 10 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.361 0.606 25446 3628 1 10 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.021 -0.704 25446 3629 1 10 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.505 3.230 25446 3630 1 10 . 1 1 16 16 LEU H H 16 8.046 8.046 7.323 0.723 25446 3631 1 10 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.468 -0.094 25446 3632 1 10 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.468 2.197 25446 3633 1 10 . 1 1 18 18 ASP N N 18 116.413 116.413 117.885 -1.472 25446 3634 1 10 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.468 0.116 25446 3635 1 10 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.207 0.383 25446 3636 1 10 . 1 1 18 18 ASP H H 18 8.415 8.415 8.440 -0.025 25446 3637 1 10 . 1 1 19 19 VAL N N 19 122.077 122.077 118.667 3.410 25446 3638 1 10 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.092 0.021 25446 3639 1 10 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.511 0.836 25446 3640 1 10 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.701 -0.314 25446 3641 1 10 . 1 1 19 19 VAL H H 19 7.771 7.771 7.310 0.461 25446 3642 1 10 . 1 1 20 20 ALA N N 20 129.197 129.197 129.973 -0.776 25446 3643 1 10 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.496 0.092 25446 3644 1 10 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.299 -0.071 25446 3645 1 10 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.290 -0.867 25446 3646 1 10 . 1 1 20 20 ALA H H 20 8.765 8.765 8.269 0.496 25446 3647 1 10 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.066 0.008 25446 3648 1 10 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.605 0.536 25446 3649 1 10 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.703 -0.365 25446 3650 1 10 . 1 1 22 22 ALA N N 22 115.949 115.949 117.403 -1.454 25446 3651 1 10 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.165 -0.048 25446 3652 1 10 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.104 -0.321 25446 3653 1 10 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.458 0.294 25446 3654 1 10 . 1 1 22 22 ALA H H 22 8.074 8.074 7.916 0.158 25446 3655 1 10 . 1 1 23 23 ASP N N 23 115.451 115.451 117.123 -1.672 25446 3656 1 10 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.824 -0.172 25446 3657 1 10 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.797 0.647 25446 3658 1 10 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.437 -0.297 25446 3659 1 10 . 1 1 23 23 ASP H H 23 8.023 8.023 8.243 -0.220 25446 3660 1 10 . 1 1 24 24 VAL N N 24 121.382 121.382 120.695 0.687 25446 3661 1 10 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.141 -0.313 25446 3662 1 10 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.135 1.176 25446 3663 1 10 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.667 -1.803 25446 3664 1 10 . 1 1 24 24 VAL H H 24 7.072 7.072 7.218 -0.146 25446 3665 1 10 . 1 1 25 25 ASP N N 25 129.258 129.258 128.805 0.453 25446 3666 1 10 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.616 -0.044 25446 3667 1 10 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.220 0.250 25446 3668 1 10 . 1 1 25 25 ASP H H 25 8.499 8.499 8.813 -0.314 25446 3669 1 10 . 1 1 26 26 VAL N N 26 121.736 121.736 119.995 1.741 25446 3670 1 10 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.864 0.244 25446 3671 1 10 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.238 1.238 25446 3672 1 10 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.495 -0.278 25446 3673 1 10 . 1 1 26 26 VAL H H 26 8.566 8.566 7.930 0.636 25446 3674 1 10 . 1 1 27 27 ASP N N 27 116.233 116.233 117.708 -1.475 25446 3675 1 10 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.673 0.481 25446 3676 1 10 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.243 -0.120 25446 3677 1 10 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.570 2.022 25446 3678 1 10 . 1 1 27 27 ASP H H 27 8.638 8.638 7.981 0.657 25446 3679 1 10 . 1 1 28 28 LEU N N 28 125.046 125.046 122.472 2.574 25446 3680 1 10 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.456 -0.430 25446 3681 1 10 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.697 1.170 25446 3682 1 10 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.586 -0.178 25446 3683 1 10 . 1 1 28 28 LEU H H 28 7.389 7.389 7.492 -0.103 25446 3684 1 10 . 1 1 29 29 ASP N N 29 125.807 125.807 125.299 0.508 25446 3685 1 10 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.723 0.108 25446 3686 1 10 . 1 1 29 29 ASP H H 29 8.731 8.731 8.598 0.133 25446 3687 1 10 . 1 1 30 30 LEU N N 30 130.007 130.007 121.280 8.727 25446 3688 1 10 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.453 -0.555 25446 3689 1 10 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.135 0.284 25446 3690 1 10 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.580 0.543 25446 3691 1 10 . 1 1 30 30 LEU H H 30 9.744 9.744 8.517 1.227 25446 3692 1 10 . 1 1 31 31 VAL N N 31 121.093 121.093 122.221 -1.128 25446 3693 1 10 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.627 0.599 25446 3694 1 10 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.932 -1.541 25446 3695 1 10 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.291 0.890 25446 3696 1 10 . 1 1 31 31 VAL H H 31 8.166 8.166 7.837 0.329 25446 3697 1 10 . 1 1 32 32 ASP N N 32 124.657 124.657 119.547 5.110 25446 3698 1 10 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.364 -0.000 25446 3699 1 10 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.715 0.404 25446 3700 1 10 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.629 0.131 25446 3701 1 10 . 1 1 32 32 ASP H H 32 9.365 9.365 8.033 1.332 25446 3702 1 10 . 1 1 33 33 ASN N N 33 111.260 111.260 117.624 -6.364 25446 3703 1 10 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.547 0.193 25446 3704 1 10 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.591 1.221 25446 3705 1 10 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.611 1.495 25446 3706 1 10 . 1 1 33 33 ASN H H 33 7.423 7.423 7.890 -0.467 25446 3707 1 10 . 1 1 34 34 GLY N N 34 106.935 106.935 109.308 -2.373 25446 3708 1 10 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.915 -0.291 25446 3709 1 10 . 1 1 34 34 GLY H H 34 7.648 7.648 8.515 -0.867 25446 3710 1 10 . 1 1 35 35 VAL N N 35 120.307 120.307 122.784 -2.477 25446 3711 1 10 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.470 0.310 25446 3712 1 10 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.465 -0.439 25446 3713 1 10 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.669 0.119 25446 3714 1 10 . 1 1 35 35 VAL H H 35 7.838 7.838 7.319 0.519 25446 3715 1 10 . 1 1 36 36 ILE N N 36 116.154 116.154 119.285 -3.131 25446 3716 1 10 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.664 0.095 25446 3717 1 10 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.629 -3.053 25446 3718 1 10 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.628 1.597 25446 3719 1 10 . 1 1 36 36 ILE H H 36 7.337 7.337 8.429 -1.092 25446 3720 1 10 . 1 1 37 37 ASP N N 37 126.730 126.730 120.470 6.260 25446 3721 1 10 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.697 1.032 25446 3722 1 10 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.653 -5.016 25446 3723 1 10 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.086 1.165 25446 3724 1 10 . 1 1 37 37 ASP H H 37 7.921 7.921 8.204 -0.283 25446 3725 1 10 . 1 1 38 38 SER N N 38 113.176 113.176 113.858 -0.682 25446 3726 1 10 . 1 1 38 38 SER HA H 38 4.122 4.122 4.514 -0.392 25446 3727 1 10 . 1 1 38 38 SER CA C 38 61.062 61.062 59.788 1.274 25446 3728 1 10 . 1 1 39 39 LEU N N 39 122.521 122.521 122.872 -0.351 25446 3729 1 10 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.166 0.107 25446 3730 1 10 . 1 1 39 39 LEU CA C 39 57.370 57.370 57.779 -0.409 25446 3731 1 10 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.141 0.118 25446 3732 1 10 . 1 1 39 39 LEU H H 39 7.675 7.675 7.725 -0.050 25446 3733 1 10 . 1 1 40 40 GLY N N 40 111.971 111.971 106.769 5.202 25446 3734 1 10 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.872 1.248 25446 3735 1 10 . 1 1 40 40 GLY H H 40 8.776 8.776 7.520 1.256 25446 3736 1 10 . 1 1 41 41 LEU N N 41 122.579 122.579 123.526 -0.947 25446 3737 1 10 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.117 -0.272 25446 3738 1 10 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.753 0.512 25446 3739 1 10 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.016 -0.437 25446 3740 1 10 . 1 1 41 41 LEU H H 41 8.551 8.551 8.406 0.145 25446 3741 1 10 . 1 1 42 42 LEU N N 42 116.126 116.126 119.292 -3.166 25446 3742 1 10 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.935 0.074 25446 3743 1 10 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.518 -0.417 25446 3744 1 10 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.699 -0.752 25446 3745 1 10 . 1 1 42 42 LEU H H 42 7.213 7.213 8.001 -0.788 25446 3746 1 10 . 1 1 43 43 LYS N N 43 119.793 119.793 119.320 0.473 25446 3747 1 10 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.043 0.239 25446 3748 1 10 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.007 -0.437 25446 3749 1 10 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.312 0.225 25446 3750 1 10 . 1 1 43 43 LYS H H 43 7.664 7.664 7.452 0.212 25446 3751 1 10 . 1 1 44 44 VAL N N 44 121.147 121.147 120.745 0.402 25446 3752 1 10 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.031 -0.094 25446 3753 1 10 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.118 -0.300 25446 3754 1 10 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.930 -0.371 25446 3755 1 10 . 1 1 44 44 VAL H H 44 8.278 8.278 8.358 -0.080 25446 3756 1 10 . 1 1 45 45 ILE N N 45 119.222 119.222 120.487 -1.265 25446 3757 1 10 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.777 -0.372 25446 3758 1 10 . 1 1 45 45 ILE CA C 45 66.061 66.061 65.000 1.061 25446 3759 1 10 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.420 0.819 25446 3760 1 10 . 1 1 45 45 ILE H H 45 8.127 8.127 7.972 0.155 25446 3761 1 10 . 1 1 46 46 ALA N N 46 121.011 121.011 122.978 -1.967 25446 3762 1 10 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.149 0.083 25446 3763 1 10 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.046 -0.086 25446 3764 1 10 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.557 -0.217 25446 3765 1 10 . 1 1 46 46 ALA H H 46 7.811 7.811 7.832 -0.021 25446 3766 1 10 . 1 1 47 47 TRP N N 47 121.158 121.158 121.024 0.134 25446 3767 1 10 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.426 -0.191 25446 3768 1 10 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.743 1.091 25446 3769 1 10 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.759 -1.539 25446 3770 1 10 . 1 1 47 47 TRP H H 47 8.094 8.094 8.612 -0.518 25446 3771 1 10 . 1 1 48 48 LEU N N 48 118.890 118.890 121.205 -2.315 25446 3772 1 10 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.005 0.568 25446 3773 1 10 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.274 -0.082 25446 3774 1 10 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.627 0.627 25446 3775 1 10 . 1 1 48 48 LEU H H 48 8.704 8.704 8.819 -0.115 25446 3776 1 10 . 1 1 49 49 GLU N N 49 118.917 118.917 119.050 -0.133 25446 3777 1 10 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.009 0.037 25446 3778 1 10 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.702 0.006 25446 3779 1 10 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.392 0.224 25446 3780 1 10 . 1 1 49 49 GLU H H 49 7.808 7.808 8.077 -0.269 25446 3781 1 10 . 1 1 50 50 ASP N N 50 119.614 119.614 119.786 -0.172 25446 3782 1 10 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.400 -0.160 25446 3783 1 10 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.589 0.420 25446 3784 1 10 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.705 1.672 25446 3785 1 10 . 1 1 50 50 ASP H H 50 7.677 7.677 7.717 -0.040 25446 3786 1 10 . 1 1 51 51 ARG N N 51 116.918 116.918 117.086 -0.168 25446 3787 1 10 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.028 -0.303 25446 3788 1 10 . 1 1 51 51 ARG CA C 51 56.288 56.288 57.955 -1.667 25446 3789 1 10 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.818 -1.534 25446 3790 1 10 . 1 1 51 51 ARG H H 51 8.876 8.876 7.263 1.613 25446 3791 1 10 . 1 1 52 52 PHE N N 52 112.278 112.278 115.168 -2.890 25446 3792 1 10 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.590 0.067 25446 3793 1 10 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.376 -1.326 25446 3794 1 10 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.499 1.253 25446 3795 1 10 . 1 1 52 52 PHE H H 52 7.330 7.330 7.951 -0.621 25446 3796 1 10 . 1 1 53 53 GLY N N 53 109.717 109.717 109.026 0.691 25446 3797 1 10 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.596 1.050 25446 3798 1 10 . 1 1 53 53 GLY H H 53 7.411 7.411 8.280 -0.869 25446 3799 1 10 . 1 1 54 54 ILE N N 54 119.148 119.148 120.450 -1.302 25446 3800 1 10 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.080 -0.137 25446 3801 1 10 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.468 0.132 25446 3802 1 10 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.093 0.416 25446 3803 1 10 . 1 1 54 54 ILE H H 54 6.901 6.901 7.404 -0.503 25446 3804 1 10 . 1 1 55 55 ALA N N 55 129.774 129.774 128.360 1.414 25446 3805 1 10 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.243 0.159 25446 3806 1 10 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.632 -0.984 25446 3807 1 10 . 1 1 55 55 ALA H H 55 8.538 8.538 8.333 0.205 25446 3808 1 10 . 1 1 56 56 ALA N N 56 126.034 126.034 123.750 2.284 25446 3809 1 10 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.137 0.136 25446 3810 1 10 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.417 0.195 25446 3811 1 10 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.018 0.103 25446 3812 1 10 . 1 1 56 56 ALA H H 56 8.620 8.620 8.348 0.272 25446 3813 1 10 . 1 1 57 57 ASP N N 57 115.649 115.649 116.025 -0.376 25446 3814 1 10 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.443 0.033 25446 3815 1 10 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.557 0.613 25446 3816 1 10 . 1 1 57 57 ASP H H 57 8.321 8.321 8.347 -0.026 25446 3817 1 10 . 1 1 58 58 ASP N N 58 118.298 118.298 119.700 -1.402 25446 3818 1 10 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.548 0.120 25446 3819 1 10 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.533 0.269 25446 3820 1 10 . 1 1 58 58 ASP H H 58 7.971 7.971 8.367 -0.396 25446 3821 1 10 . 1 1 59 59 VAL N N 59 118.443 118.443 123.343 -4.900 25446 3822 1 10 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.400 -0.191 25446 3823 1 10 . 1 1 59 59 VAL CA C 59 62.070 62.070 59.787 2.283 25446 3824 1 10 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.521 -1.191 25446 3825 1 10 . 1 1 59 59 VAL H H 59 7.700 7.700 8.024 -0.324 25446 3826 1 10 . 1 1 60 60 GLU N N 60 122.777 122.777 122.175 0.602 25446 3827 1 10 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.490 -0.207 25446 3828 1 10 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.058 0.260 25446 3829 1 10 . 1 1 60 60 GLU CB C 60 29.877 29.877 29.958 -0.081 25446 3830 1 10 . 1 1 60 60 GLU H H 60 8.416 8.416 8.393 0.023 25446 3831 1 10 . 1 1 61 61 LEU N N 61 124.910 124.910 125.919 -1.009 25446 3832 1 10 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.762 -0.405 25446 3833 1 10 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.094 1.068 25446 3834 1 10 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.871 -2.026 25446 3835 1 10 . 1 1 61 61 LEU H H 61 8.249 8.249 8.578 -0.329 25446 3836 1 10 . 1 1 62 62 SER N N 62 118.228 118.228 118.403 -0.175 25446 3837 1 10 . 1 1 62 62 SER HA H 62 4.816 4.816 4.941 -0.124 25446 3838 1 10 . 1 1 62 62 SER CB C 62 63.963 63.963 63.575 0.388 25446 3839 1 10 . 1 1 62 62 SER H H 62 8.025 8.025 8.173 -0.148 25446 3840 1 10 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.544 -0.290 25446 3841 1 10 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.917 -0.023 25446 3842 1 10 . 1 1 64 64 GLU N N 64 116.457 116.457 118.531 -2.074 25446 3843 1 10 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.122 -0.255 25446 3844 1 10 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.422 -0.676 25446 3845 1 10 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.999 -0.292 25446 3846 1 10 . 1 1 64 64 GLU H H 64 8.310 8.310 8.998 -0.688 25446 3847 1 10 . 1 1 65 65 HIS N N 65 114.998 114.998 119.289 -4.291 25446 3848 1 10 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.220 0.077 25446 3849 1 10 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.358 -0.993 25446 3850 1 10 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.658 -0.051 25446 3851 1 10 . 1 1 65 65 HIS H H 65 7.324 7.324 7.790 -0.466 25446 3852 1 10 . 1 1 66 66 PHE N N 66 115.965 115.965 114.950 1.015 25446 3853 1 10 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.537 0.245 25446 3854 1 10 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.298 -2.632 25446 3855 1 10 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.519 0.465 25446 3856 1 10 . 1 1 66 66 PHE H H 66 7.245 7.245 7.524 -0.279 25446 3857 1 10 . 1 1 67 67 ARG N N 67 112.179 112.179 118.325 -6.146 25446 3858 1 10 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.999 0.085 25446 3859 1 10 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.895 0.396 25446 3860 1 10 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.776 0.861 25446 3861 1 10 . 1 1 67 67 ARG H H 67 6.632 6.632 7.558 -0.926 25446 3862 1 10 . 1 1 68 68 SER N N 68 109.181 109.181 109.619 -0.438 25446 3863 1 10 . 1 1 68 68 SER HA H 68 4.985 4.985 4.734 0.251 25446 3864 1 10 . 1 1 68 68 SER CA C 68 55.664 55.664 56.267 -0.603 25446 3865 1 10 . 1 1 68 68 SER CB C 68 67.608 67.608 66.520 1.088 25446 3866 1 10 . 1 1 68 68 SER H H 68 8.139 8.139 7.315 0.824 25446 3867 1 10 . 1 1 69 69 ILE N N 69 122.526 122.526 122.341 0.185 25446 3868 1 10 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.764 -0.082 25446 3869 1 10 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.025 1.713 25446 3870 1 10 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.792 -0.804 25446 3871 1 10 . 1 1 69 69 ILE H H 69 9.770 9.770 9.015 0.755 25446 3872 1 10 . 1 1 70 70 ARG N N 70 118.671 118.671 119.084 -0.413 25446 3873 1 10 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.202 -0.234 25446 3874 1 10 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.437 0.892 25446 3875 1 10 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.739 0.561 25446 3876 1 10 . 1 1 70 70 ARG H H 70 8.860 8.860 8.411 0.449 25446 3877 1 10 . 1 1 71 71 SER N N 71 117.722 117.722 115.649 2.073 25446 3878 1 10 . 1 1 71 71 SER HA H 71 4.346 4.346 4.116 0.230 25446 3879 1 10 . 1 1 71 71 SER CB C 71 62.962 62.962 62.150 0.812 25446 3880 1 10 . 1 1 71 71 SER H H 71 8.534 8.534 7.604 0.930 25446 3881 1 10 . 1 1 72 72 ILE N N 72 127.380 127.380 122.397 4.983 25446 3882 1 10 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.894 0.031 25446 3883 1 10 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.528 2.217 25446 3884 1 10 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.788 -0.427 25446 3885 1 10 . 1 1 72 72 ILE H H 72 8.789 8.789 7.070 1.719 25446 3886 1 10 . 1 1 73 73 ASP N N 73 121.443 121.443 120.282 1.161 25446 3887 1 10 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.365 -0.353 25446 3888 1 10 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.526 1.574 25446 3889 1 10 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.938 3.742 25446 3890 1 10 . 1 1 73 73 ASP H H 73 8.699 8.699 7.734 0.965 25446 3891 1 10 . 1 1 74 74 ALA N N 74 118.799 118.799 122.272 -3.473 25446 3892 1 10 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.080 -0.041 25446 3893 1 10 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.362 -0.127 25446 3894 1 10 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.321 -0.372 25446 3895 1 10 . 1 1 74 74 ALA H H 74 8.042 8.042 7.723 0.319 25446 3896 1 10 . 1 1 75 75 PHE N N 75 121.125 121.125 119.517 1.608 25446 3897 1 10 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.173 -0.128 25446 3898 1 10 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.307 -0.356 25446 3899 1 10 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.267 -0.396 25446 3900 1 10 . 1 1 75 75 PHE H H 75 8.369 8.369 7.607 0.762 25446 3901 1 10 . 1 1 76 76 VAL N N 76 120.715 120.715 118.930 1.785 25446 3902 1 10 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.638 -0.688 25446 3903 1 10 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.392 0.437 25446 3904 1 10 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.159 0.068 25446 3905 1 10 . 1 1 76 76 VAL H H 76 8.555 8.555 7.975 0.580 25446 3906 1 10 . 1 1 77 77 VAL N N 77 121.286 121.286 119.901 1.385 25446 3907 1 10 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.949 -0.456 25446 3908 1 10 . 1 1 77 77 VAL CA C 77 66.778 66.778 64.750 2.028 25446 3909 1 10 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.208 0.658 25446 3910 1 10 . 1 1 77 77 VAL H H 77 8.770 8.770 8.464 0.306 25446 3911 1 10 . 1 1 78 78 GLY N N 78 106.349 106.349 106.136 0.213 25446 3912 1 10 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.445 0.187 25446 3913 1 10 . 1 1 78 78 GLY H H 78 7.976 7.976 7.932 0.044 25446 3914 1 10 . 1 1 79 79 ALA N N 79 120.998 120.998 122.261 -1.263 25446 3915 1 10 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.397 -0.190 25446 3916 1 10 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.590 0.206 25446 3917 1 10 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.270 -1.004 25446 3918 1 10 . 1 1 79 79 ALA H H 79 7.647 7.647 7.131 0.516 25446 3919 1 10 . 1 1 80 80 THR N N 80 107.402 107.402 114.931 -7.529 25446 3920 1 10 . 1 1 80 80 THR HA H 80 4.454 4.454 4.304 0.150 25446 3921 1 10 . 1 1 80 80 THR CA C 80 61.337 61.337 62.058 -0.721 25446 3922 1 10 . 1 1 80 80 THR CB C 80 70.703 70.703 71.003 -0.300 25446 3923 1 10 . 1 1 80 80 THR H H 80 7.469 7.469 8.181 -0.712 25446 3924 1 10 . 1 1 81 81 THR N N 81 119.746 119.746 119.685 0.061 25446 3925 1 10 . 1 1 81 81 THR HA H 81 4.668 4.668 4.662 0.006 25446 3926 1 10 . 1 1 81 81 THR CA C 81 60.448 60.448 58.378 2.070 25446 3927 1 10 . 1 1 81 81 THR CB C 81 70.062 70.062 68.960 1.102 25446 3928 1 10 . 1 1 81 81 THR H H 81 7.684 7.684 8.318 -0.634 25446 3929 1 10 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.456 0.243 25446 3930 1 10 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.697 -0.087 25446 3931 1 10 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.310 0.694 25446 3932 1 10 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.239 0.234 25446 3933 1 10 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.633 0.178 25446 3934 1 10 . 1 1 83 83 PRO CB C 83 32.081 32.081 31.967 0.114 25446 3935 1 10 . 1 1 84 84 VAL N N 84 120.611 120.611 118.561 2.050 25446 3936 1 10 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.233 -0.186 25446 3937 1 10 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.556 -0.242 25446 3938 1 10 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.950 -0.078 25446 3939 1 10 . 1 1 84 84 VAL H H 84 8.240 8.240 8.051 0.189 25446 3940 1 10 . 1 1 85 85 GLU N N 85 125.076 125.076 126.589 -1.513 25446 3941 1 10 . 1 1 85 85 GLU H H 85 8.434 8.434 8.545 -0.111 25446 3942 1 10 . 1 1 86 86 ALA N N 86 126.280 126.280 123.461 2.819 25446 3943 1 10 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.556 -0.268 25446 3944 1 10 . 1 1 86 86 ALA H H 86 8.340 8.340 8.540 -0.200 25446 3945 1 10 . 1 1 87 87 LYS N N 87 121.709 121.709 124.300 -2.591 25446 3946 1 10 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.527 0.677 25446 3947 1 10 . 1 1 87 87 LYS H H 87 8.334 8.334 8.816 -0.482 25446 3948 1 10 . 1 1 88 88 LEU N N 88 125.379 125.379 116.959 8.420 25446 3949 1 10 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.195 -4.195 25446 3950 1 10 . 1 1 88 88 LEU H H 88 8.435 8.435 7.997 0.438 25446 3951 1 11 . 1 1 2 2 GLN N N 2 123.771 123.771 121.245 2.526 25446 3952 1 11 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.388 -0.258 25446 3953 1 11 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.558 1.991 25446 3954 1 11 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.154 1.008 25446 3955 1 11 . 1 1 2 2 GLN H H 2 9.634 9.634 8.586 1.048 25446 3956 1 11 . 1 1 3 3 HIS N N 3 119.013 119.013 118.043 0.970 25446 3957 1 11 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.143 1.041 25446 3958 1 11 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.542 -1.539 25446 3959 1 11 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.799 3.289 25446 3960 1 11 . 1 1 3 3 HIS H H 3 9.946 9.946 8.746 1.200 25446 3961 1 11 . 1 1 4 4 ALA N N 4 122.550 122.550 121.053 1.497 25446 3962 1 11 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.994 -0.103 25446 3963 1 11 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.031 1.529 25446 3964 1 11 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.956 -0.164 25446 3965 1 11 . 1 1 4 4 ALA H H 4 7.524 7.524 8.170 -0.646 25446 3966 1 11 . 1 1 5 5 SER N N 5 112.310 112.310 114.278 -1.968 25446 3967 1 11 . 1 1 5 5 SER HA H 5 4.295 4.295 4.185 0.110 25446 3968 1 11 . 1 1 5 5 SER CA C 5 62.089 62.089 61.791 0.298 25446 3969 1 11 . 1 1 5 5 SER CB C 5 62.421 62.421 62.513 -0.092 25446 3970 1 11 . 1 1 5 5 SER H H 5 8.772 8.772 8.308 0.464 25446 3971 1 11 . 1 1 6 6 VAL N N 6 122.625 122.625 122.179 0.446 25446 3972 1 11 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.826 0.285 25446 3973 1 11 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.285 -0.577 25446 3974 1 11 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.594 1.146 25446 3975 1 11 . 1 1 6 6 VAL H H 6 7.657 7.657 7.444 0.213 25446 3976 1 11 . 1 1 7 7 ILE N N 7 121.536 121.536 120.559 0.977 25446 3977 1 11 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.590 0.636 25446 3978 1 11 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.049 -0.756 25446 3979 1 11 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.216 1.415 25446 3980 1 11 . 1 1 7 7 ILE H H 7 8.526 8.526 7.433 1.093 25446 3981 1 11 . 1 1 8 8 ALA N N 8 121.229 121.229 121.705 -0.476 25446 3982 1 11 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.001 -0.105 25446 3983 1 11 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.505 0.737 25446 3984 1 11 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.402 0.329 25446 3985 1 11 . 1 1 8 8 ALA H H 8 8.946 8.946 7.805 1.141 25446 3986 1 11 . 1 1 9 9 GLN N N 9 114.998 114.998 119.233 -4.235 25446 3987 1 11 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.074 -0.201 25446 3988 1 11 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.081 0.878 25446 3989 1 11 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.127 -0.314 25446 3990 1 11 . 1 1 9 9 GLN H H 9 7.731 7.731 8.032 -0.301 25446 3991 1 11 . 1 1 10 10 PHE N N 10 120.075 120.075 122.692 -2.617 25446 3992 1 11 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.291 -0.213 25446 3993 1 11 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.812 -0.959 25446 3994 1 11 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.428 -0.605 25446 3995 1 11 . 1 1 10 10 PHE H H 10 7.299 7.299 8.869 -1.570 25446 3996 1 11 . 1 1 11 11 VAL N N 11 117.458 117.458 119.052 -1.594 25446 3997 1 11 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.962 -0.655 25446 3998 1 11 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.233 1.211 25446 3999 1 11 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.889 -0.201 25446 4000 1 11 . 1 1 11 11 VAL H H 11 8.363 8.363 8.001 0.362 25446 4001 1 11 . 1 1 12 12 VAL N N 12 117.722 117.722 119.693 -1.971 25446 4002 1 11 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.799 0.948 25446 4003 1 11 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.514 -0.595 25446 4004 1 11 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.242 0.025 25446 4005 1 11 . 1 1 12 12 VAL H H 12 8.289 8.289 8.108 0.181 25446 4006 1 11 . 1 1 13 13 GLU N N 13 117.827 117.827 119.658 -1.831 25446 4007 1 11 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.830 -0.088 25446 4008 1 11 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.279 -0.086 25446 4009 1 11 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.292 0.202 25446 4010 1 11 . 1 1 13 13 GLU H H 13 7.758 7.758 8.511 -0.753 25446 4011 1 11 . 1 1 14 14 GLU N N 14 113.425 113.425 119.669 -6.244 25446 4012 1 11 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.153 -0.381 25446 4013 1 11 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.417 -1.810 25446 4014 1 11 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.335 -0.836 25446 4015 1 11 . 1 1 14 14 GLU H H 14 7.604 7.604 7.698 -0.094 25446 4016 1 11 . 1 1 15 15 PHE N N 15 114.097 114.097 114.550 -0.453 25446 4017 1 11 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.794 0.147 25446 4018 1 11 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.393 2.600 25446 4019 1 11 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.240 2.752 25446 4020 1 11 . 1 1 15 15 PHE H H 15 7.916 7.916 7.457 0.459 25446 4021 1 11 . 1 1 16 16 LEU N N 16 121.405 121.405 121.489 -0.084 25446 4022 1 11 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.414 0.553 25446 4023 1 11 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.995 -0.678 25446 4024 1 11 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.562 3.173 25446 4025 1 11 . 1 1 16 16 LEU H H 16 8.046 8.046 7.367 0.679 25446 4026 1 11 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.471 -0.097 25446 4027 1 11 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.352 2.313 25446 4028 1 11 . 1 1 18 18 ASP N N 18 116.413 116.413 118.358 -1.945 25446 4029 1 11 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.576 0.008 25446 4030 1 11 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.497 0.093 25446 4031 1 11 . 1 1 18 18 ASP H H 18 8.415 8.415 8.447 -0.032 25446 4032 1 11 . 1 1 19 19 VAL N N 19 122.077 122.077 118.876 3.201 25446 4033 1 11 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.081 0.032 25446 4034 1 11 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.618 0.729 25446 4035 1 11 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.848 -0.461 25446 4036 1 11 . 1 1 19 19 VAL H H 19 7.771 7.771 7.325 0.446 25446 4037 1 11 . 1 1 20 20 ALA N N 20 129.197 129.197 130.024 -0.827 25446 4038 1 11 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.505 0.083 25446 4039 1 11 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.234 -0.006 25446 4040 1 11 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.346 -0.923 25446 4041 1 11 . 1 1 20 20 ALA H H 20 8.765 8.765 8.383 0.382 25446 4042 1 11 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.082 -0.008 25446 4043 1 11 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.634 0.507 25446 4044 1 11 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.689 -0.351 25446 4045 1 11 . 1 1 22 22 ALA N N 22 115.949 115.949 117.600 -1.651 25446 4046 1 11 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.168 -0.051 25446 4047 1 11 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.147 -0.364 25446 4048 1 11 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.427 0.325 25446 4049 1 11 . 1 1 22 22 ALA H H 22 8.074 8.074 7.937 0.137 25446 4050 1 11 . 1 1 23 23 ASP N N 23 115.451 115.451 117.409 -1.958 25446 4051 1 11 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.763 -0.111 25446 4052 1 11 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.845 0.599 25446 4053 1 11 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.280 -0.140 25446 4054 1 11 . 1 1 23 23 ASP H H 23 8.023 8.023 8.338 -0.315 25446 4055 1 11 . 1 1 24 24 VAL N N 24 121.382 121.382 120.898 0.484 25446 4056 1 11 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.125 -0.297 25446 4057 1 11 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.881 1.430 25446 4058 1 11 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.563 -1.699 25446 4059 1 11 . 1 1 24 24 VAL H H 24 7.072 7.072 7.402 -0.330 25446 4060 1 11 . 1 1 25 25 ASP N N 25 129.258 129.258 127.399 1.859 25446 4061 1 11 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.626 -0.054 25446 4062 1 11 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.590 -0.120 25446 4063 1 11 . 1 1 25 25 ASP H H 25 8.499 8.499 8.818 -0.319 25446 4064 1 11 . 1 1 26 26 VAL N N 26 121.736 121.736 118.917 2.819 25446 4065 1 11 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.850 0.258 25446 4066 1 11 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.752 0.724 25446 4067 1 11 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.912 -0.695 25446 4068 1 11 . 1 1 26 26 VAL H H 26 8.566 8.566 7.815 0.751 25446 4069 1 11 . 1 1 27 27 ASP N N 27 116.233 116.233 118.129 -1.896 25446 4070 1 11 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.698 0.456 25446 4071 1 11 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.401 -0.278 25446 4072 1 11 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.133 2.459 25446 4073 1 11 . 1 1 27 27 ASP H H 27 8.638 8.638 8.034 0.604 25446 4074 1 11 . 1 1 28 28 LEU N N 28 125.046 125.046 122.929 2.117 25446 4075 1 11 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.451 -0.425 25446 4076 1 11 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.798 1.069 25446 4077 1 11 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.474 -0.066 25446 4078 1 11 . 1 1 28 28 LEU H H 28 7.389 7.389 7.375 0.014 25446 4079 1 11 . 1 1 29 29 ASP N N 29 125.807 125.807 126.476 -0.669 25446 4080 1 11 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.713 0.118 25446 4081 1 11 . 1 1 29 29 ASP H H 29 8.731 8.731 8.635 0.096 25446 4082 1 11 . 1 1 30 30 LEU N N 30 130.007 130.007 124.791 5.216 25446 4083 1 11 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.083 -0.185 25446 4084 1 11 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.611 -0.192 25446 4085 1 11 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.611 0.512 25446 4086 1 11 . 1 1 30 30 LEU H H 30 9.744 9.744 8.318 1.426 25446 4087 1 11 . 1 1 31 31 VAL N N 31 121.093 121.093 121.440 -0.347 25446 4088 1 11 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.626 0.600 25446 4089 1 11 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.543 -1.153 25446 4090 1 11 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.066 1.115 25446 4091 1 11 . 1 1 31 31 VAL H H 31 8.166 8.166 7.659 0.507 25446 4092 1 11 . 1 1 32 32 ASP N N 32 124.657 124.657 119.895 4.762 25446 4093 1 11 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.362 0.002 25446 4094 1 11 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.997 0.122 25446 4095 1 11 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.088 0.672 25446 4096 1 11 . 1 1 32 32 ASP H H 32 9.365 9.365 8.051 1.314 25446 4097 1 11 . 1 1 33 33 ASN N N 33 111.260 111.260 117.385 -6.125 25446 4098 1 11 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.562 0.178 25446 4099 1 11 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.718 1.094 25446 4100 1 11 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.986 1.120 25446 4101 1 11 . 1 1 33 33 ASN H H 33 7.423 7.423 7.839 -0.416 25446 4102 1 11 . 1 1 34 34 GLY N N 34 106.935 106.935 110.180 -3.245 25446 4103 1 11 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.091 -0.467 25446 4104 1 11 . 1 1 34 34 GLY H H 34 7.648 7.648 8.654 -1.006 25446 4105 1 11 . 1 1 35 35 VAL N N 35 120.307 120.307 123.193 -2.886 25446 4106 1 11 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.675 0.105 25446 4107 1 11 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.632 0.393 25446 4108 1 11 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.495 0.293 25446 4109 1 11 . 1 1 35 35 VAL H H 35 7.838 7.838 7.458 0.380 25446 4110 1 11 . 1 1 36 36 ILE N N 36 116.154 116.154 119.489 -3.335 25446 4111 1 11 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.781 -0.022 25446 4112 1 11 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.580 -3.004 25446 4113 1 11 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.411 1.814 25446 4114 1 11 . 1 1 36 36 ILE H H 36 7.337 7.337 8.618 -1.281 25446 4115 1 11 . 1 1 37 37 ASP N N 37 126.730 126.730 120.214 6.516 25446 4116 1 11 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.665 1.064 25446 4117 1 11 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.857 -5.220 25446 4118 1 11 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.230 1.021 25446 4119 1 11 . 1 1 37 37 ASP H H 37 7.921 7.921 8.234 -0.313 25446 4120 1 11 . 1 1 38 38 SER N N 38 113.176 113.176 113.306 -0.130 25446 4121 1 11 . 1 1 38 38 SER HA H 38 4.122 4.122 4.341 -0.219 25446 4122 1 11 . 1 1 38 38 SER CA C 38 61.062 61.062 60.170 0.892 25446 4123 1 11 . 1 1 39 39 LEU N N 39 122.521 122.521 123.156 -0.635 25446 4124 1 11 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.054 0.219 25446 4125 1 11 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.554 -1.185 25446 4126 1 11 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.997 -0.738 25446 4127 1 11 . 1 1 39 39 LEU H H 39 7.675 7.675 7.865 -0.190 25446 4128 1 11 . 1 1 40 40 GLY N N 40 111.971 111.971 106.263 5.708 25446 4129 1 11 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.890 1.230 25446 4130 1 11 . 1 1 40 40 GLY H H 40 8.776 8.776 7.559 1.217 25446 4131 1 11 . 1 1 41 41 LEU N N 41 122.579 122.579 123.809 -1.230 25446 4132 1 11 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.130 -0.285 25446 4133 1 11 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.579 0.686 25446 4134 1 11 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.853 -0.274 25446 4135 1 11 . 1 1 41 41 LEU H H 41 8.551 8.551 8.382 0.169 25446 4136 1 11 . 1 1 42 42 LEU N N 42 116.126 116.126 119.473 -3.347 25446 4137 1 11 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.893 0.116 25446 4138 1 11 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.735 -0.634 25446 4139 1 11 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.672 -0.725 25446 4140 1 11 . 1 1 42 42 LEU H H 42 7.213 7.213 8.253 -1.040 25446 4141 1 11 . 1 1 43 43 LYS N N 43 119.793 119.793 119.364 0.429 25446 4142 1 11 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.062 0.220 25446 4143 1 11 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.949 -0.379 25446 4144 1 11 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.354 0.183 25446 4145 1 11 . 1 1 43 43 LYS H H 43 7.664 7.664 7.491 0.173 25446 4146 1 11 . 1 1 44 44 VAL N N 44 121.147 121.147 120.588 0.559 25446 4147 1 11 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.984 -0.047 25446 4148 1 11 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.704 0.114 25446 4149 1 11 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.690 -0.131 25446 4150 1 11 . 1 1 44 44 VAL H H 44 8.278 8.278 8.457 -0.179 25446 4151 1 11 . 1 1 45 45 ILE N N 45 119.222 119.222 120.539 -1.317 25446 4152 1 11 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.750 -0.345 25446 4153 1 11 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.531 2.530 25446 4154 1 11 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.953 2.286 25446 4155 1 11 . 1 1 45 45 ILE H H 45 8.127 8.127 8.800 -0.673 25446 4156 1 11 . 1 1 46 46 ALA N N 46 121.011 121.011 123.112 -2.101 25446 4157 1 11 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.150 0.082 25446 4158 1 11 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.270 -0.310 25446 4159 1 11 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.356 -0.016 25446 4160 1 11 . 1 1 46 46 ALA H H 46 7.811 7.811 8.512 -0.701 25446 4161 1 11 . 1 1 47 47 TRP N N 47 121.158 121.158 120.890 0.268 25446 4162 1 11 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.521 -0.286 25446 4163 1 11 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.290 2.544 25446 4164 1 11 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.584 -1.364 25446 4165 1 11 . 1 1 47 47 TRP H H 47 8.094 8.094 7.928 0.166 25446 4166 1 11 . 1 1 48 48 LEU N N 48 118.890 118.890 121.399 -2.509 25446 4167 1 11 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.117 0.456 25446 4168 1 11 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.083 0.109 25446 4169 1 11 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.393 0.861 25446 4170 1 11 . 1 1 48 48 LEU H H 48 8.704 8.704 8.562 0.142 25446 4171 1 11 . 1 1 49 49 GLU N N 49 118.917 118.917 118.011 0.906 25446 4172 1 11 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.994 0.052 25446 4173 1 11 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.148 0.560 25446 4174 1 11 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.760 0.856 25446 4175 1 11 . 1 1 49 49 GLU H H 49 7.808 7.808 8.514 -0.706 25446 4176 1 11 . 1 1 50 50 ASP N N 50 119.614 119.614 120.435 -0.821 25446 4177 1 11 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.490 -0.250 25446 4178 1 11 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.594 0.415 25446 4179 1 11 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.892 1.485 25446 4180 1 11 . 1 1 50 50 ASP H H 50 7.677 7.677 7.576 0.101 25446 4181 1 11 . 1 1 51 51 ARG N N 51 116.918 116.918 118.385 -1.467 25446 4182 1 11 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.089 -0.364 25446 4183 1 11 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.807 -2.519 25446 4184 1 11 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.670 -1.386 25446 4185 1 11 . 1 1 51 51 ARG H H 51 8.876 8.876 7.727 1.149 25446 4186 1 11 . 1 1 52 52 PHE N N 52 112.278 112.278 114.426 -2.148 25446 4187 1 11 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.619 0.038 25446 4188 1 11 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.338 -1.288 25446 4189 1 11 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.924 0.828 25446 4190 1 11 . 1 1 52 52 PHE H H 52 7.330 7.330 7.663 -0.333 25446 4191 1 11 . 1 1 53 53 GLY N N 53 109.717 109.717 109.126 0.591 25446 4192 1 11 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.585 1.061 25446 4193 1 11 . 1 1 53 53 GLY H H 53 7.411 7.411 8.163 -0.752 25446 4194 1 11 . 1 1 54 54 ILE N N 54 119.148 119.148 119.842 -0.694 25446 4195 1 11 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.088 -0.145 25446 4196 1 11 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.715 -0.115 25446 4197 1 11 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.902 0.607 25446 4198 1 11 . 1 1 54 54 ILE H H 54 6.901 6.901 7.930 -1.029 25446 4199 1 11 . 1 1 55 55 ALA N N 55 129.774 129.774 127.240 2.534 25446 4200 1 11 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.332 0.070 25446 4201 1 11 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.001 -0.353 25446 4202 1 11 . 1 1 55 55 ALA H H 55 8.538 8.538 8.564 -0.026 25446 4203 1 11 . 1 1 56 56 ALA N N 56 126.034 126.034 127.518 -1.484 25446 4204 1 11 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.107 0.166 25446 4205 1 11 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.682 -0.070 25446 4206 1 11 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.548 0.574 25446 4207 1 11 . 1 1 56 56 ALA H H 56 8.620 8.620 8.841 -0.221 25446 4208 1 11 . 1 1 57 57 ASP N N 57 115.649 115.649 118.379 -2.730 25446 4209 1 11 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.498 -0.022 25446 4210 1 11 . 1 1 57 57 ASP CA C 57 55.170 55.170 55.308 -0.138 25446 4211 1 11 . 1 1 57 57 ASP H H 57 8.321 8.321 8.354 -0.033 25446 4212 1 11 . 1 1 58 58 ASP N N 58 118.298 118.298 119.733 -1.435 25446 4213 1 11 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.568 0.100 25446 4214 1 11 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.094 -0.292 25446 4215 1 11 . 1 1 58 58 ASP H H 58 7.971 7.971 7.856 0.115 25446 4216 1 11 . 1 1 59 59 VAL N N 59 118.443 118.443 122.645 -4.202 25446 4217 1 11 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.331 -0.122 25446 4218 1 11 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.493 0.577 25446 4219 1 11 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.286 1.044 25446 4220 1 11 . 1 1 59 59 VAL H H 59 7.700 7.700 8.103 -0.403 25446 4221 1 11 . 1 1 60 60 GLU N N 60 122.777 122.777 119.338 3.439 25446 4222 1 11 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.181 0.102 25446 4223 1 11 . 1 1 60 60 GLU CA C 60 56.318 56.318 57.242 -0.924 25446 4224 1 11 . 1 1 60 60 GLU CB C 60 29.877 29.877 29.721 0.157 25446 4225 1 11 . 1 1 60 60 GLU H H 60 8.416 8.416 8.353 0.063 25446 4226 1 11 . 1 1 61 61 LEU N N 61 124.910 124.910 119.861 5.049 25446 4227 1 11 . 1 1 61 61 LEU HA H 61 4.357 4.357 3.878 0.479 25446 4228 1 11 . 1 1 61 61 LEU CA C 61 55.162 55.162 55.505 -0.343 25446 4229 1 11 . 1 1 61 61 LEU CB C 61 41.845 41.845 41.894 -0.049 25446 4230 1 11 . 1 1 61 61 LEU H H 61 8.249 8.249 7.697 0.552 25446 4231 1 11 . 1 1 62 62 SER N N 62 118.228 118.228 118.952 -0.724 25446 4232 1 11 . 1 1 62 62 SER HA H 62 4.816 4.816 4.951 -0.135 25446 4233 1 11 . 1 1 62 62 SER CB C 62 63.963 63.963 63.864 0.099 25446 4234 1 11 . 1 1 62 62 SER H H 62 8.025 8.025 7.907 0.118 25446 4235 1 11 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.491 -0.237 25446 4236 1 11 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.481 -0.587 25446 4237 1 11 . 1 1 64 64 GLU N N 64 116.457 116.457 117.743 -1.286 25446 4238 1 11 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.153 -0.286 25446 4239 1 11 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.045 -0.299 25446 4240 1 11 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.022 -0.315 25446 4241 1 11 . 1 1 64 64 GLU H H 64 8.310 8.310 9.025 -0.715 25446 4242 1 11 . 1 1 65 65 HIS N N 65 114.998 114.998 119.547 -4.549 25446 4243 1 11 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.196 0.101 25446 4244 1 11 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.558 -1.193 25446 4245 1 11 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.713 -0.106 25446 4246 1 11 . 1 1 65 65 HIS H H 65 7.324 7.324 8.413 -1.089 25446 4247 1 11 . 1 1 66 66 PHE N N 66 115.965 115.965 116.036 -0.071 25446 4248 1 11 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.428 0.354 25446 4249 1 11 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.375 -2.709 25446 4250 1 11 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.067 0.917 25446 4251 1 11 . 1 1 66 66 PHE H H 66 7.245 7.245 7.595 -0.350 25446 4252 1 11 . 1 1 67 67 ARG N N 67 112.179 112.179 120.078 -7.899 25446 4253 1 11 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.015 0.069 25446 4254 1 11 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.160 0.131 25446 4255 1 11 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.860 0.777 25446 4256 1 11 . 1 1 67 67 ARG H H 67 6.632 6.632 7.658 -1.026 25446 4257 1 11 . 1 1 68 68 SER N N 68 109.181 109.181 106.853 2.328 25446 4258 1 11 . 1 1 68 68 SER HA H 68 4.985 4.985 4.819 0.166 25446 4259 1 11 . 1 1 68 68 SER CA C 68 55.664 55.664 56.638 -0.974 25446 4260 1 11 . 1 1 68 68 SER CB C 68 67.608 67.608 65.818 1.790 25446 4261 1 11 . 1 1 68 68 SER H H 68 8.139 8.139 7.339 0.800 25446 4262 1 11 . 1 1 69 69 ILE N N 69 122.526 122.526 123.031 -0.505 25446 4263 1 11 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.751 -0.069 25446 4264 1 11 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.382 1.356 25446 4265 1 11 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.841 -0.853 25446 4266 1 11 . 1 1 69 69 ILE H H 69 9.770 9.770 8.934 0.836 25446 4267 1 11 . 1 1 70 70 ARG N N 70 118.671 118.671 119.874 -1.203 25446 4268 1 11 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.908 0.060 25446 4269 1 11 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.818 0.511 25446 4270 1 11 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.830 0.470 25446 4271 1 11 . 1 1 70 70 ARG H H 70 8.860 8.860 8.449 0.411 25446 4272 1 11 . 1 1 71 71 SER N N 71 117.722 117.722 115.048 2.674 25446 4273 1 11 . 1 1 71 71 SER HA H 71 4.346 4.346 4.191 0.155 25446 4274 1 11 . 1 1 71 71 SER CB C 71 62.962 62.962 62.818 0.144 25446 4275 1 11 . 1 1 71 71 SER H H 71 8.534 8.534 7.640 0.894 25446 4276 1 11 . 1 1 72 72 ILE N N 72 127.380 127.380 123.454 3.926 25446 4277 1 11 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.654 0.271 25446 4278 1 11 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.681 2.064 25446 4279 1 11 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.618 -0.257 25446 4280 1 11 . 1 1 72 72 ILE H H 72 8.789 8.789 7.202 1.587 25446 4281 1 11 . 1 1 73 73 ASP N N 73 121.443 121.443 120.832 0.611 25446 4282 1 11 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.257 -0.245 25446 4283 1 11 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.370 1.730 25446 4284 1 11 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.589 3.091 25446 4285 1 11 . 1 1 73 73 ASP H H 73 8.699 8.699 8.107 0.592 25446 4286 1 11 . 1 1 74 74 ALA N N 74 118.799 118.799 122.769 -3.970 25446 4287 1 11 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.057 -0.018 25446 4288 1 11 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.066 0.169 25446 4289 1 11 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.565 -0.616 25446 4290 1 11 . 1 1 74 74 ALA H H 74 8.042 8.042 7.642 0.400 25446 4291 1 11 . 1 1 75 75 PHE N N 75 121.125 121.125 119.724 1.401 25446 4292 1 11 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.102 -0.057 25446 4293 1 11 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.819 -0.868 25446 4294 1 11 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.466 -0.595 25446 4295 1 11 . 1 1 75 75 PHE H H 75 8.369 8.369 7.872 0.497 25446 4296 1 11 . 1 1 76 76 VAL N N 76 120.715 120.715 119.198 1.517 25446 4297 1 11 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.559 -0.609 25446 4298 1 11 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.489 0.340 25446 4299 1 11 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.325 -0.098 25446 4300 1 11 . 1 1 76 76 VAL H H 76 8.555 8.555 8.345 0.210 25446 4301 1 11 . 1 1 77 77 VAL N N 77 121.286 121.286 119.428 1.858 25446 4302 1 11 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.514 -0.021 25446 4303 1 11 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.357 0.421 25446 4304 1 11 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.562 0.304 25446 4305 1 11 . 1 1 77 77 VAL H H 77 8.770 8.770 8.348 0.422 25446 4306 1 11 . 1 1 78 78 GLY N N 78 106.349 106.349 105.465 0.884 25446 4307 1 11 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.513 0.119 25446 4308 1 11 . 1 1 78 78 GLY H H 78 7.976 7.976 8.030 -0.054 25446 4309 1 11 . 1 1 79 79 ALA N N 79 120.998 120.998 121.523 -0.525 25446 4310 1 11 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.480 -0.273 25446 4311 1 11 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.683 0.113 25446 4312 1 11 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.611 -1.345 25446 4313 1 11 . 1 1 79 79 ALA H H 79 7.647 7.647 7.286 0.361 25446 4314 1 11 . 1 1 80 80 THR N N 80 107.402 107.402 112.629 -5.227 25446 4315 1 11 . 1 1 80 80 THR HA H 80 4.454 4.454 4.349 0.105 25446 4316 1 11 . 1 1 80 80 THR CA C 80 61.337 61.337 61.422 -0.085 25446 4317 1 11 . 1 1 80 80 THR CB C 80 70.703 70.703 69.726 0.977 25446 4318 1 11 . 1 1 80 80 THR H H 80 7.469 7.469 8.215 -0.746 25446 4319 1 11 . 1 1 81 81 THR N N 81 119.746 119.746 117.867 1.879 25446 4320 1 11 . 1 1 81 81 THR HA H 81 4.668 4.668 4.630 0.038 25446 4321 1 11 . 1 1 81 81 THR CA C 81 60.448 60.448 58.641 1.807 25446 4322 1 11 . 1 1 81 81 THR CB C 81 70.062 70.062 69.391 0.671 25446 4323 1 11 . 1 1 81 81 THR H H 81 7.684 7.684 7.958 -0.274 25446 4324 1 11 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.856 -0.157 25446 4325 1 11 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.839 0.771 25446 4326 1 11 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.940 -0.936 25446 4327 1 11 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.433 0.040 25446 4328 1 11 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.376 0.435 25446 4329 1 11 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.558 -0.477 25446 4330 1 11 . 1 1 84 84 VAL N N 84 120.611 120.611 122.337 -1.726 25446 4331 1 11 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.411 -0.364 25446 4332 1 11 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.322 1.991 25446 4333 1 11 . 1 1 84 84 VAL CB C 84 32.872 32.872 35.338 -2.466 25446 4334 1 11 . 1 1 84 84 VAL H H 84 8.240 8.240 8.226 0.014 25446 4335 1 11 . 1 1 85 85 GLU N N 85 125.076 125.076 125.258 -0.182 25446 4336 1 11 . 1 1 85 85 GLU H H 85 8.434 8.434 8.752 -0.318 25446 4337 1 11 . 1 1 86 86 ALA N N 86 126.280 126.280 118.136 8.144 25446 4338 1 11 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.925 1.363 25446 4339 1 11 . 1 1 86 86 ALA H H 86 8.340 8.340 7.520 0.820 25446 4340 1 11 . 1 1 87 87 LYS N N 87 121.709 121.709 121.938 -0.229 25446 4341 1 11 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.018 1.186 25446 4342 1 11 . 1 1 87 87 LYS H H 87 8.334 8.334 9.575 -1.241 25446 4343 1 11 . 1 1 88 88 LEU N N 88 125.379 125.379 118.236 7.143 25446 4344 1 11 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.980 -3.980 25446 4345 1 11 . 1 1 88 88 LEU H H 88 8.435 8.435 7.923 0.512 25446 4346 1 12 . 1 1 2 2 GLN N N 2 123.771 123.771 122.998 0.773 25446 4347 1 12 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.591 -0.461 25446 4348 1 12 . 1 1 2 2 GLN CA C 2 57.549 57.549 54.936 2.613 25446 4349 1 12 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.614 -0.452 25446 4350 1 12 . 1 1 2 2 GLN H H 2 9.634 9.634 8.501 1.133 25446 4351 1 12 . 1 1 3 3 HIS N N 3 119.013 119.013 117.248 1.765 25446 4352 1 12 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.089 1.095 25446 4353 1 12 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.163 -2.160 25446 4354 1 12 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.537 1.551 25446 4355 1 12 . 1 1 3 3 HIS H H 3 9.946 9.946 8.933 1.013 25446 4356 1 12 . 1 1 4 4 ALA N N 4 122.550 122.550 120.400 2.150 25446 4357 1 12 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.976 -0.085 25446 4358 1 12 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.338 1.222 25446 4359 1 12 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.987 -0.195 25446 4360 1 12 . 1 1 4 4 ALA H H 4 7.524 7.524 8.264 -0.740 25446 4361 1 12 . 1 1 5 5 SER N N 5 112.310 112.310 113.543 -1.233 25446 4362 1 12 . 1 1 5 5 SER HA H 5 4.295 4.295 4.130 0.165 25446 4363 1 12 . 1 1 5 5 SER CA C 5 62.089 62.089 62.023 0.066 25446 4364 1 12 . 1 1 5 5 SER CB C 5 62.421 62.421 62.184 0.237 25446 4365 1 12 . 1 1 5 5 SER H H 5 8.772 8.772 8.225 0.547 25446 4366 1 12 . 1 1 6 6 VAL N N 6 122.625 122.625 122.303 0.322 25446 4367 1 12 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.858 0.253 25446 4368 1 12 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.576 -0.868 25446 4369 1 12 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.588 1.152 25446 4370 1 12 . 1 1 6 6 VAL H H 6 7.657 7.657 7.866 -0.209 25446 4371 1 12 . 1 1 7 7 ILE N N 7 121.536 121.536 120.687 0.849 25446 4372 1 12 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.755 0.471 25446 4373 1 12 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.730 -0.437 25446 4374 1 12 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.405 1.226 25446 4375 1 12 . 1 1 7 7 ILE H H 7 8.526 8.526 8.294 0.232 25446 4376 1 12 . 1 1 8 8 ALA N N 8 121.229 121.229 121.966 -0.737 25446 4377 1 12 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.064 -0.168 25446 4378 1 12 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.648 0.594 25446 4379 1 12 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.314 0.416 25446 4380 1 12 . 1 1 8 8 ALA H H 8 8.946 8.946 8.475 0.471 25446 4381 1 12 . 1 1 9 9 GLN N N 9 114.998 114.998 118.231 -3.233 25446 4382 1 12 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.082 -0.209 25446 4383 1 12 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.627 0.332 25446 4384 1 12 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.548 -0.735 25446 4385 1 12 . 1 1 9 9 GLN H H 9 7.731 7.731 8.237 -0.506 25446 4386 1 12 . 1 1 10 10 PHE N N 10 120.075 120.075 122.134 -2.059 25446 4387 1 12 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.205 -0.127 25446 4388 1 12 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.379 -0.526 25446 4389 1 12 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.422 -0.599 25446 4390 1 12 . 1 1 10 10 PHE H H 10 7.299 7.299 8.633 -1.334 25446 4391 1 12 . 1 1 11 11 VAL N N 11 117.458 117.458 118.451 -0.993 25446 4392 1 12 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.677 -0.370 25446 4393 1 12 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.445 -0.001 25446 4394 1 12 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.438 -0.750 25446 4395 1 12 . 1 1 11 11 VAL H H 11 8.363 8.363 7.991 0.372 25446 4396 1 12 . 1 1 12 12 VAL N N 12 117.722 117.722 117.060 0.662 25446 4397 1 12 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.895 -0.148 25446 4398 1 12 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.413 -0.494 25446 4399 1 12 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.190 0.077 25446 4400 1 12 . 1 1 12 12 VAL H H 12 8.289 8.289 7.804 0.485 25446 4401 1 12 . 1 1 13 13 GLU N N 13 117.827 117.827 118.503 -0.676 25446 4402 1 12 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.941 -0.199 25446 4403 1 12 . 1 1 13 13 GLU CA C 13 59.193 59.193 58.856 0.337 25446 4404 1 12 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.335 0.159 25446 4405 1 12 . 1 1 13 13 GLU H H 13 7.758 7.758 7.921 -0.163 25446 4406 1 12 . 1 1 14 14 GLU N N 14 113.425 113.425 116.945 -3.520 25446 4407 1 12 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.746 0.026 25446 4408 1 12 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.872 -1.265 25446 4409 1 12 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.084 0.415 25446 4410 1 12 . 1 1 14 14 GLU H H 14 7.604 7.604 7.500 0.104 25446 4411 1 12 . 1 1 15 15 PHE N N 15 114.097 114.097 116.170 -2.073 25446 4412 1 12 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.529 0.412 25446 4413 1 12 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.413 -1.420 25446 4414 1 12 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.521 1.471 25446 4415 1 12 . 1 1 15 15 PHE H H 15 7.916 7.916 7.242 0.674 25446 4416 1 12 . 1 1 16 16 LEU N N 16 121.405 121.405 120.139 1.266 25446 4417 1 12 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.831 0.136 25446 4418 1 12 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.591 -0.274 25446 4419 1 12 . 1 1 16 16 LEU CB C 16 44.735 44.735 44.565 0.170 25446 4420 1 12 . 1 1 16 16 LEU H H 16 8.046 8.046 8.504 -0.458 25446 4421 1 12 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.583 -0.209 25446 4422 1 12 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.077 1.588 25446 4423 1 12 . 1 1 18 18 ASP N N 18 116.413 116.413 118.421 -2.008 25446 4424 1 12 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.601 -0.017 25446 4425 1 12 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.540 0.050 25446 4426 1 12 . 1 1 18 18 ASP H H 18 8.415 8.415 8.672 -0.257 25446 4427 1 12 . 1 1 19 19 VAL N N 19 122.077 122.077 119.905 2.172 25446 4428 1 12 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.157 -0.044 25446 4429 1 12 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.089 0.258 25446 4430 1 12 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.556 -1.169 25446 4431 1 12 . 1 1 19 19 VAL H H 19 7.771 7.771 7.131 0.640 25446 4432 1 12 . 1 1 20 20 ALA N N 20 129.197 129.197 128.753 0.444 25446 4433 1 12 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.384 0.204 25446 4434 1 12 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.840 -0.612 25446 4435 1 12 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.069 -0.646 25446 4436 1 12 . 1 1 20 20 ALA H H 20 8.765 8.765 8.521 0.244 25446 4437 1 12 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.174 -0.100 25446 4438 1 12 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.136 1.005 25446 4439 1 12 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.859 -0.521 25446 4440 1 12 . 1 1 22 22 ALA N N 22 115.949 115.949 118.026 -2.077 25446 4441 1 12 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.184 -0.067 25446 4442 1 12 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.446 0.338 25446 4443 1 12 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.264 0.488 25446 4444 1 12 . 1 1 22 22 ALA H H 22 8.074 8.074 8.425 -0.351 25446 4445 1 12 . 1 1 23 23 ASP N N 23 115.451 115.451 117.506 -2.055 25446 4446 1 12 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.726 -0.074 25446 4447 1 12 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.798 0.646 25446 4448 1 12 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.923 0.217 25446 4449 1 12 . 1 1 23 23 ASP H H 23 8.023 8.023 7.743 0.280 25446 4450 1 12 . 1 1 24 24 VAL N N 24 121.382 121.382 121.078 0.304 25446 4451 1 12 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.109 -0.281 25446 4452 1 12 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.130 1.181 25446 4453 1 12 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.029 -1.165 25446 4454 1 12 . 1 1 24 24 VAL H H 24 7.072 7.072 7.271 -0.199 25446 4455 1 12 . 1 1 25 25 ASP N N 25 129.258 129.258 127.925 1.333 25446 4456 1 12 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.610 -0.038 25446 4457 1 12 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.610 -0.140 25446 4458 1 12 . 1 1 25 25 ASP H H 25 8.499 8.499 8.905 -0.406 25446 4459 1 12 . 1 1 26 26 VAL N N 26 121.736 121.736 118.177 3.559 25446 4460 1 12 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.874 0.234 25446 4461 1 12 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.899 0.577 25446 4462 1 12 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.917 -0.700 25446 4463 1 12 . 1 1 26 26 VAL H H 26 8.566 8.566 7.990 0.576 25446 4464 1 12 . 1 1 27 27 ASP N N 27 116.233 116.233 118.113 -1.880 25446 4465 1 12 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.713 0.441 25446 4466 1 12 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.287 -0.164 25446 4467 1 12 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.842 1.750 25446 4468 1 12 . 1 1 27 27 ASP H H 27 8.638 8.638 7.975 0.663 25446 4469 1 12 . 1 1 28 28 LEU N N 28 125.046 125.046 122.600 2.446 25446 4470 1 12 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.523 -0.497 25446 4471 1 12 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.641 1.226 25446 4472 1 12 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.876 -0.467 25446 4473 1 12 . 1 1 28 28 LEU H H 28 7.389 7.389 7.558 -0.169 25446 4474 1 12 . 1 1 29 29 ASP N N 29 125.807 125.807 125.563 0.244 25446 4475 1 12 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.655 0.176 25446 4476 1 12 . 1 1 29 29 ASP H H 29 8.731 8.731 8.668 0.063 25446 4477 1 12 . 1 1 30 30 LEU N N 30 130.007 130.007 121.488 8.519 25446 4478 1 12 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.352 -0.454 25446 4479 1 12 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.457 -0.038 25446 4480 1 12 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.562 0.561 25446 4481 1 12 . 1 1 30 30 LEU H H 30 9.744 9.744 8.441 1.303 25446 4482 1 12 . 1 1 31 31 VAL N N 31 121.093 121.093 122.959 -1.866 25446 4483 1 12 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.669 0.557 25446 4484 1 12 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.729 -1.338 25446 4485 1 12 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.198 0.983 25446 4486 1 12 . 1 1 31 31 VAL H H 31 8.166 8.166 7.832 0.334 25446 4487 1 12 . 1 1 32 32 ASP N N 32 124.657 124.657 119.565 5.092 25446 4488 1 12 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.388 -0.024 25446 4489 1 12 . 1 1 32 32 ASP CA C 32 57.119 57.119 57.037 0.082 25446 4490 1 12 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.143 0.617 25446 4491 1 12 . 1 1 32 32 ASP H H 32 9.365 9.365 7.998 1.367 25446 4492 1 12 . 1 1 33 33 ASN N N 33 111.260 111.260 118.009 -6.749 25446 4493 1 12 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.694 0.046 25446 4494 1 12 . 1 1 33 33 ASN CA C 33 53.812 53.812 53.075 0.737 25446 4495 1 12 . 1 1 33 33 ASN CB C 33 39.106 39.106 38.049 1.057 25446 4496 1 12 . 1 1 33 33 ASN H H 33 7.423 7.423 8.020 -0.597 25446 4497 1 12 . 1 1 34 34 GLY N N 34 106.935 106.935 109.406 -2.471 25446 4498 1 12 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.060 -0.436 25446 4499 1 12 . 1 1 34 34 GLY H H 34 7.648 7.648 8.616 -0.968 25446 4500 1 12 . 1 1 35 35 VAL N N 35 120.307 120.307 122.839 -2.532 25446 4501 1 12 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.490 0.290 25446 4502 1 12 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.793 -0.768 25446 4503 1 12 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.759 0.030 25446 4504 1 12 . 1 1 35 35 VAL H H 35 7.838 7.838 7.371 0.467 25446 4505 1 12 . 1 1 36 36 ILE N N 36 116.154 116.154 119.089 -2.935 25446 4506 1 12 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.434 0.325 25446 4507 1 12 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.626 -3.050 25446 4508 1 12 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.489 1.736 25446 4509 1 12 . 1 1 36 36 ILE H H 36 7.337 7.337 8.523 -1.186 25446 4510 1 12 . 1 1 37 37 ASP N N 37 126.730 126.730 120.144 6.586 25446 4511 1 12 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.815 0.914 25446 4512 1 12 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.772 -5.135 25446 4513 1 12 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.328 0.923 25446 4514 1 12 . 1 1 37 37 ASP H H 37 7.921 7.921 8.097 -0.176 25446 4515 1 12 . 1 1 38 38 SER N N 38 113.176 113.176 113.646 -0.470 25446 4516 1 12 . 1 1 38 38 SER HA H 38 4.122 4.122 4.504 -0.382 25446 4517 1 12 . 1 1 38 38 SER CA C 38 61.062 61.062 60.055 1.007 25446 4518 1 12 . 1 1 39 39 LEU N N 39 122.521 122.521 122.428 0.093 25446 4519 1 12 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.114 0.159 25446 4520 1 12 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.238 -0.868 25446 4521 1 12 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.996 -0.737 25446 4522 1 12 . 1 1 39 39 LEU H H 39 7.675 7.675 7.692 -0.017 25446 4523 1 12 . 1 1 40 40 GLY N N 40 111.971 111.971 106.551 5.420 25446 4524 1 12 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.934 1.186 25446 4525 1 12 . 1 1 40 40 GLY H H 40 8.776 8.776 7.481 1.295 25446 4526 1 12 . 1 1 41 41 LEU N N 41 122.579 122.579 123.214 -0.635 25446 4527 1 12 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.037 -0.192 25446 4528 1 12 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.630 0.634 25446 4529 1 12 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.917 -0.338 25446 4530 1 12 . 1 1 41 41 LEU H H 41 8.551 8.551 8.414 0.137 25446 4531 1 12 . 1 1 42 42 LEU N N 42 116.126 116.126 119.422 -3.296 25446 4532 1 12 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.972 0.037 25446 4533 1 12 . 1 1 42 42 LEU CA C 42 58.101 58.101 57.773 0.328 25446 4534 1 12 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.046 -0.099 25446 4535 1 12 . 1 1 42 42 LEU H H 42 7.213 7.213 7.838 -0.625 25446 4536 1 12 . 1 1 43 43 LYS N N 43 119.793 119.793 119.205 0.588 25446 4537 1 12 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.048 0.234 25446 4538 1 12 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.892 -0.323 25446 4539 1 12 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.325 0.212 25446 4540 1 12 . 1 1 43 43 LYS H H 43 7.664 7.664 7.481 0.183 25446 4541 1 12 . 1 1 44 44 VAL N N 44 121.147 121.147 121.084 0.063 25446 4542 1 12 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.069 -0.133 25446 4543 1 12 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.602 0.216 25446 4544 1 12 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.304 0.255 25446 4545 1 12 . 1 1 44 44 VAL H H 44 8.278 8.278 8.508 -0.230 25446 4546 1 12 . 1 1 45 45 ILE N N 45 119.222 119.222 120.398 -1.176 25446 4547 1 12 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.786 -0.381 25446 4548 1 12 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.725 2.336 25446 4549 1 12 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.939 2.300 25446 4550 1 12 . 1 1 45 45 ILE H H 45 8.127 8.127 7.899 0.228 25446 4551 1 12 . 1 1 46 46 ALA N N 46 121.011 121.011 123.050 -2.039 25446 4552 1 12 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.170 0.062 25446 4553 1 12 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.979 -0.019 25446 4554 1 12 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.665 -0.325 25446 4555 1 12 . 1 1 46 46 ALA H H 46 7.811 7.811 7.699 0.112 25446 4556 1 12 . 1 1 47 47 TRP N N 47 121.158 121.158 121.099 0.059 25446 4557 1 12 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.417 -0.182 25446 4558 1 12 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.527 1.307 25446 4559 1 12 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.865 -1.645 25446 4560 1 12 . 1 1 47 47 TRP H H 47 8.094 8.094 8.460 -0.366 25446 4561 1 12 . 1 1 48 48 LEU N N 48 118.890 118.890 121.542 -2.652 25446 4562 1 12 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.806 0.767 25446 4563 1 12 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.727 -0.535 25446 4564 1 12 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.743 0.511 25446 4565 1 12 . 1 1 48 48 LEU H H 48 8.704 8.704 9.178 -0.474 25446 4566 1 12 . 1 1 49 49 GLU N N 49 118.917 118.917 118.823 0.094 25446 4567 1 12 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.082 -0.036 25446 4568 1 12 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.723 -0.015 25446 4569 1 12 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.362 0.254 25446 4570 1 12 . 1 1 49 49 GLU H H 49 7.808 7.808 8.033 -0.225 25446 4571 1 12 . 1 1 50 50 ASP N N 50 119.614 119.614 119.639 -0.025 25446 4572 1 12 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.385 -0.145 25446 4573 1 12 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.452 0.557 25446 4574 1 12 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.875 1.502 25446 4575 1 12 . 1 1 50 50 ASP H H 50 7.677 7.677 7.663 0.014 25446 4576 1 12 . 1 1 51 51 ARG N N 51 116.918 116.918 117.609 -0.691 25446 4577 1 12 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.002 -0.277 25446 4578 1 12 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.017 -1.729 25446 4579 1 12 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.721 -1.437 25446 4580 1 12 . 1 1 51 51 ARG H H 51 8.876 8.876 7.523 1.353 25446 4581 1 12 . 1 1 52 52 PHE N N 52 112.278 112.278 114.557 -2.279 25446 4582 1 12 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.567 0.090 25446 4583 1 12 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.537 -1.487 25446 4584 1 12 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.696 1.056 25446 4585 1 12 . 1 1 52 52 PHE H H 52 7.330 7.330 8.051 -0.721 25446 4586 1 12 . 1 1 53 53 GLY N N 53 109.717 109.717 108.534 1.183 25446 4587 1 12 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.538 1.108 25446 4588 1 12 . 1 1 53 53 GLY H H 53 7.411 7.411 8.144 -0.733 25446 4589 1 12 . 1 1 54 54 ILE N N 54 119.148 119.148 120.551 -1.403 25446 4590 1 12 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.067 -0.124 25446 4591 1 12 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.528 0.072 25446 4592 1 12 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.084 0.425 25446 4593 1 12 . 1 1 54 54 ILE H H 54 6.901 6.901 7.243 -0.342 25446 4594 1 12 . 1 1 55 55 ALA N N 55 129.774 129.774 126.835 2.939 25446 4595 1 12 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.180 0.222 25446 4596 1 12 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.688 -1.040 25446 4597 1 12 . 1 1 55 55 ALA H H 55 8.538 8.538 8.146 0.392 25446 4598 1 12 . 1 1 56 56 ALA N N 56 126.034 126.034 122.393 3.641 25446 4599 1 12 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.187 0.086 25446 4600 1 12 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.439 -0.827 25446 4601 1 12 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.130 -0.008 25446 4602 1 12 . 1 1 56 56 ALA H H 56 8.620 8.620 8.531 0.089 25446 4603 1 12 . 1 1 57 57 ASP N N 57 115.649 115.649 116.705 -1.056 25446 4604 1 12 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.710 -0.234 25446 4605 1 12 . 1 1 57 57 ASP CA C 57 55.170 55.170 53.323 1.847 25446 4606 1 12 . 1 1 57 57 ASP H H 57 8.321 8.321 7.918 0.403 25446 4607 1 12 . 1 1 58 58 ASP N N 58 118.298 118.298 121.648 -3.350 25446 4608 1 12 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.478 0.190 25446 4609 1 12 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.937 -1.135 25446 4610 1 12 . 1 1 58 58 ASP H H 58 7.971 7.971 8.522 -0.551 25446 4611 1 12 . 1 1 59 59 VAL N N 59 118.443 118.443 111.997 6.446 25446 4612 1 12 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.411 -0.202 25446 4613 1 12 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.077 1.993 25446 4614 1 12 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.283 -1.954 25446 4615 1 12 . 1 1 59 59 VAL H H 59 7.700 7.700 7.354 0.346 25446 4616 1 12 . 1 1 60 60 GLU N N 60 122.777 122.777 121.583 1.194 25446 4617 1 12 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.418 -0.135 25446 4618 1 12 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.008 0.310 25446 4619 1 12 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.451 -0.574 25446 4620 1 12 . 1 1 60 60 GLU H H 60 8.416 8.416 8.355 0.061 25446 4621 1 12 . 1 1 61 61 LEU N N 61 124.910 124.910 124.596 0.314 25446 4622 1 12 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.562 -0.205 25446 4623 1 12 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.321 0.841 25446 4624 1 12 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.976 -1.131 25446 4625 1 12 . 1 1 61 61 LEU H H 61 8.249 8.249 8.446 -0.197 25446 4626 1 12 . 1 1 62 62 SER N N 62 118.228 118.228 117.179 1.049 25446 4627 1 12 . 1 1 62 62 SER HA H 62 4.816 4.816 4.941 -0.125 25446 4628 1 12 . 1 1 62 62 SER CB C 62 63.963 63.963 65.151 -1.188 25446 4629 1 12 . 1 1 62 62 SER H H 62 8.025 8.025 8.268 -0.243 25446 4630 1 12 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.510 -0.256 25446 4631 1 12 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.203 -0.309 25446 4632 1 12 . 1 1 64 64 GLU N N 64 116.457 116.457 118.050 -1.593 25446 4633 1 12 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.136 -0.269 25446 4634 1 12 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.294 -0.548 25446 4635 1 12 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.047 -0.340 25446 4636 1 12 . 1 1 64 64 GLU H H 64 8.310 8.310 9.009 -0.699 25446 4637 1 12 . 1 1 65 65 HIS N N 65 114.998 114.998 119.168 -4.170 25446 4638 1 12 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.205 0.092 25446 4639 1 12 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.369 -1.004 25446 4640 1 12 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.563 0.044 25446 4641 1 12 . 1 1 65 65 HIS H H 65 7.324 7.324 7.968 -0.644 25446 4642 1 12 . 1 1 66 66 PHE N N 66 115.965 115.965 113.351 2.614 25446 4643 1 12 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.719 0.063 25446 4644 1 12 . 1 1 66 66 PHE CA C 66 55.666 55.666 57.947 -2.281 25446 4645 1 12 . 1 1 66 66 PHE CB C 66 38.984 38.984 39.204 -0.220 25446 4646 1 12 . 1 1 66 66 PHE H H 66 7.245 7.245 7.601 -0.356 25446 4647 1 12 . 1 1 67 67 ARG N N 67 112.179 112.179 120.113 -7.934 25446 4648 1 12 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.045 0.039 25446 4649 1 12 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.191 0.101 25446 4650 1 12 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.971 0.665 25446 4651 1 12 . 1 1 67 67 ARG H H 67 6.632 6.632 7.583 -0.951 25446 4652 1 12 . 1 1 68 68 SER N N 68 109.181 109.181 108.389 0.792 25446 4653 1 12 . 1 1 68 68 SER HA H 68 4.985 4.985 4.766 0.219 25446 4654 1 12 . 1 1 68 68 SER CA C 68 55.664 55.664 56.526 -0.862 25446 4655 1 12 . 1 1 68 68 SER CB C 68 67.608 67.608 65.540 2.068 25446 4656 1 12 . 1 1 68 68 SER H H 68 8.139 8.139 7.430 0.709 25446 4657 1 12 . 1 1 69 69 ILE N N 69 122.526 122.526 122.550 -0.024 25446 4658 1 12 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.758 -0.076 25446 4659 1 12 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.257 1.481 25446 4660 1 12 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.841 -0.853 25446 4661 1 12 . 1 1 69 69 ILE H H 69 9.770 9.770 8.947 0.823 25446 4662 1 12 . 1 1 70 70 ARG N N 70 118.671 118.671 118.660 0.011 25446 4663 1 12 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.148 -0.180 25446 4664 1 12 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.419 0.910 25446 4665 1 12 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.746 0.554 25446 4666 1 12 . 1 1 70 70 ARG H H 70 8.860 8.860 8.418 0.442 25446 4667 1 12 . 1 1 71 71 SER N N 71 117.722 117.722 115.436 2.286 25446 4668 1 12 . 1 1 71 71 SER HA H 71 4.346 4.346 4.105 0.241 25446 4669 1 12 . 1 1 71 71 SER CB C 71 62.962 62.962 62.844 0.118 25446 4670 1 12 . 1 1 71 71 SER H H 71 8.534 8.534 7.671 0.863 25446 4671 1 12 . 1 1 72 72 ILE N N 72 127.380 127.380 123.079 4.301 25446 4672 1 12 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.296 0.629 25446 4673 1 12 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.934 1.811 25446 4674 1 12 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.672 -0.311 25446 4675 1 12 . 1 1 72 72 ILE H H 72 8.789 8.789 7.121 1.668 25446 4676 1 12 . 1 1 73 73 ASP N N 73 121.443 121.443 120.714 0.729 25446 4677 1 12 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.324 -0.312 25446 4678 1 12 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.627 1.473 25446 4679 1 12 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.875 3.805 25446 4680 1 12 . 1 1 73 73 ASP H H 73 8.699 8.699 8.047 0.652 25446 4681 1 12 . 1 1 74 74 ALA N N 74 118.799 118.799 122.284 -3.485 25446 4682 1 12 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.068 -0.029 25446 4683 1 12 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.033 0.202 25446 4684 1 12 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.258 -0.309 25446 4685 1 12 . 1 1 74 74 ALA H H 74 8.042 8.042 7.627 0.415 25446 4686 1 12 . 1 1 75 75 PHE N N 75 121.125 121.125 119.481 1.644 25446 4687 1 12 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.151 -0.106 25446 4688 1 12 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.720 -0.769 25446 4689 1 12 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.581 -0.710 25446 4690 1 12 . 1 1 75 75 PHE H H 75 8.369 8.369 7.471 0.898 25446 4691 1 12 . 1 1 76 76 VAL N N 76 120.715 120.715 119.347 1.368 25446 4692 1 12 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.622 -0.672 25446 4693 1 12 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.055 -0.226 25446 4694 1 12 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.403 -0.176 25446 4695 1 12 . 1 1 76 76 VAL H H 76 8.555 8.555 8.452 0.103 25446 4696 1 12 . 1 1 77 77 VAL N N 77 121.286 121.286 120.697 0.589 25446 4697 1 12 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.935 -0.442 25446 4698 1 12 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.120 0.658 25446 4699 1 12 . 1 1 77 77 VAL CB C 77 31.866 31.866 30.938 0.928 25446 4700 1 12 . 1 1 77 77 VAL H H 77 8.770 8.770 8.551 0.219 25446 4701 1 12 . 1 1 78 78 GLY N N 78 106.349 106.349 108.010 -1.661 25446 4702 1 12 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.102 0.530 25446 4703 1 12 . 1 1 78 78 GLY H H 78 7.976 7.976 8.034 -0.058 25446 4704 1 12 . 1 1 79 79 ALA N N 79 120.998 120.998 123.601 -2.603 25446 4705 1 12 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.209 -0.002 25446 4706 1 12 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.892 -0.096 25446 4707 1 12 . 1 1 79 79 ALA CB C 79 19.266 19.266 19.631 -0.365 25446 4708 1 12 . 1 1 79 79 ALA H H 79 7.647 7.647 7.384 0.263 25446 4709 1 12 . 1 1 80 80 THR N N 80 107.402 107.402 109.748 -2.346 25446 4710 1 12 . 1 1 80 80 THR HA H 80 4.454 4.454 4.446 0.008 25446 4711 1 12 . 1 1 80 80 THR CA C 80 61.337 61.337 60.928 0.409 25446 4712 1 12 . 1 1 80 80 THR CB C 80 70.703 70.703 71.504 -0.801 25446 4713 1 12 . 1 1 80 80 THR H H 80 7.469 7.469 7.969 -0.500 25446 4714 1 12 . 1 1 81 81 THR N N 81 119.746 119.746 118.674 1.072 25446 4715 1 12 . 1 1 81 81 THR HA H 81 4.668 4.668 4.909 -0.241 25446 4716 1 12 . 1 1 81 81 THR CA C 81 60.448 60.448 58.550 1.898 25446 4717 1 12 . 1 1 81 81 THR CB C 81 70.062 70.062 69.102 0.960 25446 4718 1 12 . 1 1 81 81 THR H H 81 7.684 7.684 8.325 -0.641 25446 4719 1 12 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.940 -0.241 25446 4720 1 12 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.773 0.837 25446 4721 1 12 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.198 -0.194 25446 4722 1 12 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.447 0.026 25446 4723 1 12 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.958 -0.147 25446 4724 1 12 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.806 -0.724 25446 4725 1 12 . 1 1 84 84 VAL N N 84 120.611 120.611 121.735 -1.124 25446 4726 1 12 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.122 -0.075 25446 4727 1 12 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.080 2.233 25446 4728 1 12 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.913 -2.041 25446 4729 1 12 . 1 1 84 84 VAL H H 84 8.240 8.240 8.006 0.234 25446 4730 1 12 . 1 1 85 85 GLU N N 85 125.076 125.076 125.693 -0.617 25446 4731 1 12 . 1 1 85 85 GLU H H 85 8.434 8.434 8.569 -0.135 25446 4732 1 12 . 1 1 86 86 ALA N N 86 126.280 126.280 119.624 6.656 25446 4733 1 12 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.664 0.624 25446 4734 1 12 . 1 1 86 86 ALA H H 86 8.340 8.340 7.415 0.925 25446 4735 1 12 . 1 1 87 87 LYS N N 87 121.709 121.709 121.558 0.151 25446 4736 1 12 . 1 1 87 87 LYS CB C 87 33.204 33.204 33.162 0.042 25446 4737 1 12 . 1 1 87 87 LYS H H 87 8.334 8.334 8.313 0.021 25446 4738 1 12 . 1 1 88 88 LEU N N 88 125.379 125.379 126.723 -1.344 25446 4739 1 12 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.511 -4.511 25446 4740 1 12 . 1 1 88 88 LEU H H 88 8.435 8.435 8.920 -0.485 25446 4741 1 13 . 1 1 2 2 GLN N N 2 123.771 123.771 123.600 0.171 25446 4742 1 13 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.255 -0.125 25446 4743 1 13 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.212 2.337 25446 4744 1 13 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.327 0.835 25446 4745 1 13 . 1 1 2 2 GLN H H 2 9.634 9.634 8.556 1.078 25446 4746 1 13 . 1 1 3 3 HIS N N 3 119.013 119.013 121.090 -2.077 25446 4747 1 13 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.154 1.030 25446 4748 1 13 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.804 -1.801 25446 4749 1 13 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.163 3.925 25446 4750 1 13 . 1 1 3 3 HIS H H 3 9.946 9.946 8.673 1.273 25446 4751 1 13 . 1 1 4 4 ALA N N 4 122.550 122.550 120.537 2.013 25446 4752 1 13 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.020 -0.129 25446 4753 1 13 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.810 1.750 25446 4754 1 13 . 1 1 4 4 ALA CB C 4 18.792 18.792 19.100 -0.308 25446 4755 1 13 . 1 1 4 4 ALA H H 4 7.524 7.524 8.135 -0.611 25446 4756 1 13 . 1 1 5 5 SER N N 5 112.310 112.310 112.500 -0.190 25446 4757 1 13 . 1 1 5 5 SER HA H 5 4.295 4.295 4.111 0.184 25446 4758 1 13 . 1 1 5 5 SER CA C 5 62.089 62.089 61.209 0.880 25446 4759 1 13 . 1 1 5 5 SER CB C 5 62.421 62.421 62.708 -0.287 25446 4760 1 13 . 1 1 5 5 SER H H 5 8.772 8.772 8.229 0.543 25446 4761 1 13 . 1 1 6 6 VAL N N 6 122.625 122.625 122.799 -0.174 25446 4762 1 13 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.850 0.261 25446 4763 1 13 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.650 0.058 25446 4764 1 13 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.574 1.166 25446 4765 1 13 . 1 1 6 6 VAL H H 6 7.657 7.657 7.508 0.149 25446 4766 1 13 . 1 1 7 7 ILE N N 7 121.536 121.536 120.032 1.504 25446 4767 1 13 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.712 0.514 25446 4768 1 13 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.411 -0.118 25446 4769 1 13 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.402 1.229 25446 4770 1 13 . 1 1 7 7 ILE H H 7 8.526 8.526 7.377 1.149 25446 4771 1 13 . 1 1 8 8 ALA N N 8 121.229 121.229 121.973 -0.744 25446 4772 1 13 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.978 -0.082 25446 4773 1 13 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.478 0.764 25446 4774 1 13 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.453 0.278 25446 4775 1 13 . 1 1 8 8 ALA H H 8 8.946 8.946 7.804 1.142 25446 4776 1 13 . 1 1 9 9 GLN N N 9 114.998 114.998 119.171 -4.173 25446 4777 1 13 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.130 -0.257 25446 4778 1 13 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.388 0.571 25446 4779 1 13 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.278 -0.465 25446 4780 1 13 . 1 1 9 9 GLN H H 9 7.731 7.731 8.362 -0.631 25446 4781 1 13 . 1 1 10 10 PHE N N 10 120.075 120.075 121.963 -1.888 25446 4782 1 13 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.165 -0.087 25446 4783 1 13 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.744 -0.891 25446 4784 1 13 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.489 -0.665 25446 4785 1 13 . 1 1 10 10 PHE H H 10 7.299 7.299 8.612 -1.313 25446 4786 1 13 . 1 1 11 11 VAL N N 11 117.458 117.458 116.629 0.829 25446 4787 1 13 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.869 -0.562 25446 4788 1 13 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.971 0.473 25446 4789 1 13 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.992 -0.304 25446 4790 1 13 . 1 1 11 11 VAL H H 11 8.363 8.363 7.982 0.381 25446 4791 1 13 . 1 1 12 12 VAL N N 12 117.722 117.722 120.673 -2.951 25446 4792 1 13 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.848 -0.101 25446 4793 1 13 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.892 -0.973 25446 4794 1 13 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.338 -0.071 25446 4795 1 13 . 1 1 12 12 VAL H H 12 8.289 8.289 8.467 -0.178 25446 4796 1 13 . 1 1 13 13 GLU N N 13 117.827 117.827 118.818 -0.991 25446 4797 1 13 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.923 -0.181 25446 4798 1 13 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.081 0.112 25446 4799 1 13 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.556 -0.062 25446 4800 1 13 . 1 1 13 13 GLU H H 13 7.758 7.758 8.042 -0.284 25446 4801 1 13 . 1 1 14 14 GLU N N 14 113.425 113.425 117.256 -3.831 25446 4802 1 13 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.816 -0.044 25446 4803 1 13 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.243 -1.636 25446 4804 1 13 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.043 0.456 25446 4805 1 13 . 1 1 14 14 GLU H H 14 7.604 7.604 7.509 0.095 25446 4806 1 13 . 1 1 15 15 PHE N N 15 114.097 114.097 115.238 -1.141 25446 4807 1 13 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.515 0.426 25446 4808 1 13 . 1 1 15 15 PHE CA C 15 57.993 57.993 59.638 -1.645 25446 4809 1 13 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.058 1.934 25446 4810 1 13 . 1 1 15 15 PHE H H 15 7.916 7.916 7.022 0.894 25446 4811 1 13 . 1 1 16 16 LEU N N 16 121.405 121.405 119.964 1.441 25446 4812 1 13 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.816 0.151 25446 4813 1 13 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.279 0.038 25446 4814 1 13 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.600 1.135 25446 4815 1 13 . 1 1 16 16 LEU H H 16 8.046 8.046 8.248 -0.202 25446 4816 1 13 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.542 -0.168 25446 4817 1 13 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.538 1.127 25446 4818 1 13 . 1 1 18 18 ASP N N 18 116.413 116.413 117.815 -1.402 25446 4819 1 13 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.491 0.093 25446 4820 1 13 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.017 0.573 25446 4821 1 13 . 1 1 18 18 ASP H H 18 8.415 8.415 8.705 -0.290 25446 4822 1 13 . 1 1 19 19 VAL N N 19 122.077 122.077 120.451 1.626 25446 4823 1 13 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.155 -0.042 25446 4824 1 13 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.026 0.321 25446 4825 1 13 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.499 -1.113 25446 4826 1 13 . 1 1 19 19 VAL H H 19 7.771 7.771 7.119 0.652 25446 4827 1 13 . 1 1 20 20 ALA N N 20 129.197 129.197 128.669 0.528 25446 4828 1 13 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.370 0.218 25446 4829 1 13 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.950 -0.722 25446 4830 1 13 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.116 -0.693 25446 4831 1 13 . 1 1 20 20 ALA H H 20 8.765 8.765 8.438 0.327 25446 4832 1 13 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.237 -0.163 25446 4833 1 13 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.217 0.924 25446 4834 1 13 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.957 -0.619 25446 4835 1 13 . 1 1 22 22 ALA N N 22 115.949 115.949 118.110 -2.161 25446 4836 1 13 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.213 -0.096 25446 4837 1 13 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.874 -0.091 25446 4838 1 13 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.357 0.395 25446 4839 1 13 . 1 1 22 22 ALA H H 22 8.074 8.074 8.031 0.043 25446 4840 1 13 . 1 1 23 23 ASP N N 23 115.451 115.451 117.432 -1.981 25446 4841 1 13 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.744 -0.092 25446 4842 1 13 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.319 0.125 25446 4843 1 13 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.344 -0.204 25446 4844 1 13 . 1 1 23 23 ASP H H 23 8.023 8.023 7.780 0.243 25446 4845 1 13 . 1 1 24 24 VAL N N 24 121.382 121.382 120.924 0.458 25446 4846 1 13 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.116 -0.288 25446 4847 1 13 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.326 0.985 25446 4848 1 13 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.362 -1.498 25446 4849 1 13 . 1 1 24 24 VAL H H 24 7.072 7.072 7.351 -0.279 25446 4850 1 13 . 1 1 25 25 ASP N N 25 129.258 129.258 127.690 1.568 25446 4851 1 13 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.580 -0.008 25446 4852 1 13 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.550 -0.080 25446 4853 1 13 . 1 1 25 25 ASP H H 25 8.499 8.499 8.799 -0.300 25446 4854 1 13 . 1 1 26 26 VAL N N 26 121.736 121.736 119.731 2.005 25446 4855 1 13 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.850 0.258 25446 4856 1 13 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.556 0.920 25446 4857 1 13 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.445 -0.228 25446 4858 1 13 . 1 1 26 26 VAL H H 26 8.566 8.566 7.968 0.598 25446 4859 1 13 . 1 1 27 27 ASP N N 27 116.233 116.233 117.913 -1.680 25446 4860 1 13 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.642 0.512 25446 4861 1 13 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.462 -0.339 25446 4862 1 13 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.057 2.535 25446 4863 1 13 . 1 1 27 27 ASP H H 27 8.638 8.638 7.985 0.653 25446 4864 1 13 . 1 1 28 28 LEU N N 28 125.046 125.046 122.730 2.316 25446 4865 1 13 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.402 -0.376 25446 4866 1 13 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.873 0.994 25446 4867 1 13 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.287 0.121 25446 4868 1 13 . 1 1 28 28 LEU H H 28 7.389 7.389 7.416 -0.027 25446 4869 1 13 . 1 1 29 29 ASP N N 29 125.807 125.807 125.830 -0.023 25446 4870 1 13 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.757 0.074 25446 4871 1 13 . 1 1 29 29 ASP H H 29 8.731 8.731 8.600 0.131 25446 4872 1 13 . 1 1 30 30 LEU N N 30 130.007 130.007 125.450 4.557 25446 4873 1 13 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.092 -0.194 25446 4874 1 13 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.581 -0.162 25446 4875 1 13 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.633 0.490 25446 4876 1 13 . 1 1 30 30 LEU H H 30 9.744 9.744 8.825 0.919 25446 4877 1 13 . 1 1 31 31 VAL N N 31 121.093 121.093 121.265 -0.172 25446 4878 1 13 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.563 0.663 25446 4879 1 13 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.452 -2.061 25446 4880 1 13 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.969 1.212 25446 4881 1 13 . 1 1 31 31 VAL H H 31 8.166 8.166 7.807 0.359 25446 4882 1 13 . 1 1 32 32 ASP N N 32 124.657 124.657 119.483 5.174 25446 4883 1 13 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.349 0.015 25446 4884 1 13 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.919 0.200 25446 4885 1 13 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.000 0.760 25446 4886 1 13 . 1 1 32 32 ASP H H 32 9.365 9.365 7.970 1.395 25446 4887 1 13 . 1 1 33 33 ASN N N 33 111.260 111.260 118.226 -6.966 25446 4888 1 13 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.316 0.424 25446 4889 1 13 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.414 1.398 25446 4890 1 13 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.972 1.134 25446 4891 1 13 . 1 1 33 33 ASN H H 33 7.423 7.423 8.042 -0.619 25446 4892 1 13 . 1 1 34 34 GLY N N 34 106.935 106.935 109.230 -2.295 25446 4893 1 13 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.100 -0.476 25446 4894 1 13 . 1 1 34 34 GLY H H 34 7.648 7.648 8.666 -1.018 25446 4895 1 13 . 1 1 35 35 VAL N N 35 120.307 120.307 123.058 -2.751 25446 4896 1 13 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.577 0.203 25446 4897 1 13 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.660 -0.635 25446 4898 1 13 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.877 -0.088 25446 4899 1 13 . 1 1 35 35 VAL H H 35 7.838 7.838 7.402 0.436 25446 4900 1 13 . 1 1 36 36 ILE N N 36 116.154 116.154 118.449 -2.295 25446 4901 1 13 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.860 -0.101 25446 4902 1 13 . 1 1 36 36 ILE CA C 36 60.576 60.576 62.954 -2.378 25446 4903 1 13 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.945 1.280 25446 4904 1 13 . 1 1 36 36 ILE H H 36 7.337 7.337 8.813 -1.476 25446 4905 1 13 . 1 1 37 37 ASP N N 37 126.730 126.730 121.462 5.268 25446 4906 1 13 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.973 0.756 25446 4907 1 13 . 1 1 37 37 ASP CA C 37 51.637 51.637 57.238 -5.601 25446 4908 1 13 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.468 0.783 25446 4909 1 13 . 1 1 37 37 ASP H H 37 7.921 7.921 8.345 -0.424 25446 4910 1 13 . 1 1 38 38 SER N N 38 113.176 113.176 113.077 0.099 25446 4911 1 13 . 1 1 38 38 SER HA H 38 4.122 4.122 4.481 -0.359 25446 4912 1 13 . 1 1 38 38 SER CA C 38 61.062 61.062 60.250 0.812 25446 4913 1 13 . 1 1 39 39 LEU N N 39 122.521 122.521 123.462 -0.941 25446 4914 1 13 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.107 0.166 25446 4915 1 13 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.418 -1.048 25446 4916 1 13 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.821 -0.562 25446 4917 1 13 . 1 1 39 39 LEU H H 39 7.675 7.675 7.992 -0.317 25446 4918 1 13 . 1 1 40 40 GLY N N 40 111.971 111.971 106.347 5.624 25446 4919 1 13 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.861 1.258 25446 4920 1 13 . 1 1 40 40 GLY H H 40 8.776 8.776 7.622 1.154 25446 4921 1 13 . 1 1 41 41 LEU N N 41 122.579 122.579 123.491 -0.912 25446 4922 1 13 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.152 -0.306 25446 4923 1 13 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.928 0.337 25446 4924 1 13 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.059 -0.480 25446 4925 1 13 . 1 1 41 41 LEU H H 41 8.551 8.551 8.422 0.129 25446 4926 1 13 . 1 1 42 42 LEU N N 42 116.126 116.126 118.825 -2.699 25446 4927 1 13 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.975 0.034 25446 4928 1 13 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.340 -0.239 25446 4929 1 13 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.642 -0.695 25446 4930 1 13 . 1 1 42 42 LEU H H 42 7.213 7.213 7.806 -0.593 25446 4931 1 13 . 1 1 43 43 LYS N N 43 119.793 119.793 119.965 -0.172 25446 4932 1 13 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.060 0.222 25446 4933 1 13 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.729 -0.159 25446 4934 1 13 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.335 0.202 25446 4935 1 13 . 1 1 43 43 LYS H H 43 7.664 7.664 7.538 0.126 25446 4936 1 13 . 1 1 44 44 VAL N N 44 121.147 121.147 120.660 0.487 25446 4937 1 13 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.036 -0.099 25446 4938 1 13 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.367 -0.549 25446 4939 1 13 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.641 -0.082 25446 4940 1 13 . 1 1 44 44 VAL H H 44 8.278 8.278 8.565 -0.287 25446 4941 1 13 . 1 1 45 45 ILE N N 45 119.222 119.222 120.225 -1.003 25446 4942 1 13 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.818 -0.413 25446 4943 1 13 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.467 2.594 25446 4944 1 13 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.752 2.487 25446 4945 1 13 . 1 1 45 45 ILE H H 45 8.127 8.127 7.869 0.258 25446 4946 1 13 . 1 1 46 46 ALA N N 46 121.011 121.011 123.321 -2.310 25446 4947 1 13 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.185 0.047 25446 4948 1 13 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.936 0.024 25446 4949 1 13 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.735 -0.396 25446 4950 1 13 . 1 1 46 46 ALA H H 46 7.811 7.811 7.837 -0.026 25446 4951 1 13 . 1 1 47 47 TRP N N 47 121.158 121.158 121.075 0.083 25446 4952 1 13 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.400 -0.165 25446 4953 1 13 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.584 1.250 25446 4954 1 13 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.796 -1.575 25446 4955 1 13 . 1 1 47 47 TRP H H 47 8.094 8.094 8.549 -0.455 25446 4956 1 13 . 1 1 48 48 LEU N N 48 118.890 118.890 121.579 -2.689 25446 4957 1 13 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.048 0.525 25446 4958 1 13 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.691 -0.499 25446 4959 1 13 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.722 0.532 25446 4960 1 13 . 1 1 48 48 LEU H H 48 8.704 8.704 9.129 -0.425 25446 4961 1 13 . 1 1 49 49 GLU N N 49 118.917 118.917 119.411 -0.494 25446 4962 1 13 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.109 -0.063 25446 4963 1 13 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.524 0.184 25446 4964 1 13 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.401 0.215 25446 4965 1 13 . 1 1 49 49 GLU H H 49 7.808 7.808 8.174 -0.366 25446 4966 1 13 . 1 1 50 50 ASP N N 50 119.614 119.614 119.175 0.439 25446 4967 1 13 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.378 -0.138 25446 4968 1 13 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.580 0.429 25446 4969 1 13 . 1 1 50 50 ASP CB C 50 42.377 42.377 41.011 1.366 25446 4970 1 13 . 1 1 50 50 ASP H H 50 7.677 7.677 7.616 0.061 25446 4971 1 13 . 1 1 51 51 ARG N N 51 116.918 116.918 117.580 -0.662 25446 4972 1 13 . 1 1 51 51 ARG HA H 51 3.725 3.725 4.001 -0.276 25446 4973 1 13 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.044 -1.756 25446 4974 1 13 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.612 -1.328 25446 4975 1 13 . 1 1 51 51 ARG H H 51 8.876 8.876 7.587 1.289 25446 4976 1 13 . 1 1 52 52 PHE N N 52 112.278 112.278 114.572 -2.294 25446 4977 1 13 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.567 0.090 25446 4978 1 13 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.398 -1.348 25446 4979 1 13 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.554 1.198 25446 4980 1 13 . 1 1 52 52 PHE H H 52 7.330 7.330 8.039 -0.709 25446 4981 1 13 . 1 1 53 53 GLY N N 53 109.717 109.717 108.665 1.052 25446 4982 1 13 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.554 1.092 25446 4983 1 13 . 1 1 53 53 GLY H H 53 7.411 7.411 7.967 -0.556 25446 4984 1 13 . 1 1 54 54 ILE N N 54 119.148 119.148 121.008 -1.860 25446 4985 1 13 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.109 -0.166 25446 4986 1 13 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.597 0.003 25446 4987 1 13 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.964 0.545 25446 4988 1 13 . 1 1 54 54 ILE H H 54 6.901 6.901 7.223 -0.322 25446 4989 1 13 . 1 1 55 55 ALA N N 55 129.774 129.774 129.259 0.515 25446 4990 1 13 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.236 0.166 25446 4991 1 13 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.657 -1.009 25446 4992 1 13 . 1 1 55 55 ALA H H 55 8.538 8.538 8.451 0.087 25446 4993 1 13 . 1 1 56 56 ALA N N 56 126.034 126.034 123.068 2.966 25446 4994 1 13 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.124 0.149 25446 4995 1 13 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.445 0.167 25446 4996 1 13 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.962 0.160 25446 4997 1 13 . 1 1 56 56 ALA H H 56 8.620 8.620 8.373 0.247 25446 4998 1 13 . 1 1 57 57 ASP N N 57 115.649 115.649 115.963 -0.314 25446 4999 1 13 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.451 0.025 25446 5000 1 13 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.517 0.653 25446 5001 1 13 . 1 1 57 57 ASP H H 57 8.321 8.321 8.323 -0.002 25446 5002 1 13 . 1 1 58 58 ASP N N 58 118.298 118.298 119.440 -1.142 25446 5003 1 13 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.450 0.218 25446 5004 1 13 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.800 0.002 25446 5005 1 13 . 1 1 58 58 ASP H H 58 7.971 7.971 8.298 -0.327 25446 5006 1 13 . 1 1 59 59 VAL N N 59 118.443 118.443 124.060 -5.617 25446 5007 1 13 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.351 -0.142 25446 5008 1 13 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.550 1.520 25446 5009 1 13 . 1 1 59 59 VAL CB C 59 33.330 33.330 35.452 -2.122 25446 5010 1 13 . 1 1 59 59 VAL H H 59 7.700 7.700 8.088 -0.388 25446 5011 1 13 . 1 1 60 60 GLU N N 60 122.777 122.777 126.347 -3.570 25446 5012 1 13 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.407 -0.124 25446 5013 1 13 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.309 0.008 25446 5014 1 13 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.224 -0.347 25446 5015 1 13 . 1 1 60 60 GLU H H 60 8.416 8.416 8.411 0.005 25446 5016 1 13 . 1 1 61 61 LEU N N 61 124.910 124.910 125.381 -0.471 25446 5017 1 13 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.574 -0.217 25446 5018 1 13 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.959 1.203 25446 5019 1 13 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.531 -1.686 25446 5020 1 13 . 1 1 61 61 LEU H H 61 8.249 8.249 8.390 -0.141 25446 5021 1 13 . 1 1 62 62 SER N N 62 118.228 118.228 117.776 0.452 25446 5022 1 13 . 1 1 62 62 SER HA H 62 4.816 4.816 4.799 0.017 25446 5023 1 13 . 1 1 62 62 SER CB C 62 63.963 63.963 64.298 -0.335 25446 5024 1 13 . 1 1 62 62 SER H H 62 8.025 8.025 8.405 -0.380 25446 5025 1 13 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.535 -0.281 25446 5026 1 13 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.986 -0.092 25446 5027 1 13 . 1 1 64 64 GLU N N 64 116.457 116.457 118.445 -1.988 25446 5028 1 13 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.132 -0.265 25446 5029 1 13 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.394 -0.648 25446 5030 1 13 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.992 -0.285 25446 5031 1 13 . 1 1 64 64 GLU H H 64 8.310 8.310 9.006 -0.696 25446 5032 1 13 . 1 1 65 65 HIS N N 65 114.998 114.998 119.450 -4.452 25446 5033 1 13 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.225 0.072 25446 5034 1 13 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.370 -1.005 25446 5035 1 13 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.660 -0.053 25446 5036 1 13 . 1 1 65 65 HIS H H 65 7.324 7.324 7.858 -0.534 25446 5037 1 13 . 1 1 66 66 PHE N N 66 115.965 115.965 115.127 0.838 25446 5038 1 13 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.603 0.179 25446 5039 1 13 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.188 -2.522 25446 5040 1 13 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.524 0.460 25446 5041 1 13 . 1 1 66 66 PHE H H 66 7.245 7.245 7.624 -0.379 25446 5042 1 13 . 1 1 67 67 ARG N N 67 112.179 112.179 118.167 -5.988 25446 5043 1 13 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.097 -0.013 25446 5044 1 13 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.836 0.455 25446 5045 1 13 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.500 1.137 25446 5046 1 13 . 1 1 67 67 ARG H H 67 6.632 6.632 7.476 -0.844 25446 5047 1 13 . 1 1 68 68 SER N N 68 109.181 109.181 109.429 -0.248 25446 5048 1 13 . 1 1 68 68 SER HA H 68 4.985 4.985 4.785 0.200 25446 5049 1 13 . 1 1 68 68 SER CA C 68 55.664 55.664 56.370 -0.706 25446 5050 1 13 . 1 1 68 68 SER CB C 68 67.608 67.608 66.664 0.944 25446 5051 1 13 . 1 1 68 68 SER H H 68 8.139 8.139 7.243 0.896 25446 5052 1 13 . 1 1 69 69 ILE N N 69 122.526 122.526 123.179 -0.653 25446 5053 1 13 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.743 -0.061 25446 5054 1 13 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.181 1.557 25446 5055 1 13 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.709 -0.721 25446 5056 1 13 . 1 1 69 69 ILE H H 69 9.770 9.770 8.976 0.794 25446 5057 1 13 . 1 1 70 70 ARG N N 70 118.671 118.671 120.363 -1.692 25446 5058 1 13 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.913 0.055 25446 5059 1 13 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.872 0.457 25446 5060 1 13 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.784 0.516 25446 5061 1 13 . 1 1 70 70 ARG H H 70 8.860 8.860 8.448 0.412 25446 5062 1 13 . 1 1 71 71 SER N N 71 117.722 117.722 115.392 2.330 25446 5063 1 13 . 1 1 71 71 SER HA H 71 4.346 4.346 4.099 0.247 25446 5064 1 13 . 1 1 71 71 SER CB C 71 62.962 62.962 62.188 0.774 25446 5065 1 13 . 1 1 71 71 SER H H 71 8.534 8.534 7.571 0.963 25446 5066 1 13 . 1 1 72 72 ILE N N 72 127.380 127.380 122.603 4.777 25446 5067 1 13 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.743 0.182 25446 5068 1 13 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.772 1.973 25446 5069 1 13 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.685 -0.324 25446 5070 1 13 . 1 1 72 72 ILE H H 72 8.789 8.789 7.066 1.723 25446 5071 1 13 . 1 1 73 73 ASP N N 73 121.443 121.443 120.612 0.831 25446 5072 1 13 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.275 -0.263 25446 5073 1 13 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.344 1.756 25446 5074 1 13 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.558 3.122 25446 5075 1 13 . 1 1 73 73 ASP H H 73 8.699 8.699 7.877 0.822 25446 5076 1 13 . 1 1 74 74 ALA N N 74 118.799 118.799 121.967 -3.168 25446 5077 1 13 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.092 -0.053 25446 5078 1 13 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.133 0.102 25446 5079 1 13 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.261 -0.312 25446 5080 1 13 . 1 1 74 74 ALA H H 74 8.042 8.042 7.596 0.446 25446 5081 1 13 . 1 1 75 75 PHE N N 75 121.125 121.125 119.689 1.436 25446 5082 1 13 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.114 -0.069 25446 5083 1 13 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.772 -0.821 25446 5084 1 13 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.413 -0.541 25446 5085 1 13 . 1 1 75 75 PHE H H 75 8.369 8.369 7.803 0.566 25446 5086 1 13 . 1 1 76 76 VAL N N 76 120.715 120.715 119.083 1.632 25446 5087 1 13 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.519 -0.569 25446 5088 1 13 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.150 -0.321 25446 5089 1 13 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.868 -0.641 25446 5090 1 13 . 1 1 76 76 VAL H H 76 8.555 8.555 8.273 0.282 25446 5091 1 13 . 1 1 77 77 VAL N N 77 121.286 121.286 119.724 1.562 25446 5092 1 13 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.658 -0.165 25446 5093 1 13 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.429 1.349 25446 5094 1 13 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.096 0.770 25446 5095 1 13 . 1 1 77 77 VAL H H 77 8.770 8.770 8.451 0.319 25446 5096 1 13 . 1 1 78 78 GLY N N 78 106.349 106.349 105.602 0.747 25446 5097 1 13 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.630 0.002 25446 5098 1 13 . 1 1 78 78 GLY H H 78 7.976 7.976 8.150 -0.174 25446 5099 1 13 . 1 1 79 79 ALA N N 79 120.998 120.998 122.353 -1.355 25446 5100 1 13 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.491 -0.284 25446 5101 1 13 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.559 0.238 25446 5102 1 13 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.409 -1.143 25446 5103 1 13 . 1 1 79 79 ALA H H 79 7.647 7.647 7.210 0.437 25446 5104 1 13 . 1 1 80 80 THR N N 80 107.402 107.402 113.503 -6.101 25446 5105 1 13 . 1 1 80 80 THR HA H 80 4.454 4.454 4.480 -0.026 25446 5106 1 13 . 1 1 80 80 THR CA C 80 61.337 61.337 61.753 -0.416 25446 5107 1 13 . 1 1 80 80 THR CB C 80 70.703 70.703 71.010 -0.307 25446 5108 1 13 . 1 1 80 80 THR H H 80 7.469 7.469 8.207 -0.738 25446 5109 1 13 . 1 1 81 81 THR N N 81 119.746 119.746 118.633 1.113 25446 5110 1 13 . 1 1 81 81 THR HA H 81 4.668 4.668 4.661 0.007 25446 5111 1 13 . 1 1 81 81 THR CA C 81 60.448 60.448 57.908 2.539 25446 5112 1 13 . 1 1 81 81 THR CB C 81 70.062 70.062 69.265 0.797 25446 5113 1 13 . 1 1 81 81 THR H H 81 7.684 7.684 8.003 -0.319 25446 5114 1 13 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.729 -0.030 25446 5115 1 13 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.626 0.984 25446 5116 1 13 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.101 -0.097 25446 5117 1 13 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.266 0.207 25446 5118 1 13 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.314 0.497 25446 5119 1 13 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.254 -0.173 25446 5120 1 13 . 1 1 84 84 VAL N N 84 120.611 120.611 122.830 -2.219 25446 5121 1 13 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.306 -0.259 25446 5122 1 13 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.895 1.418 25446 5123 1 13 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.782 -1.909 25446 5124 1 13 . 1 1 84 84 VAL H H 84 8.240 8.240 8.190 0.050 25446 5125 1 13 . 1 1 85 85 GLU N N 85 125.076 125.076 126.253 -1.177 25446 5126 1 13 . 1 1 85 85 GLU H H 85 8.434 8.434 8.818 -0.384 25446 5127 1 13 . 1 1 86 86 ALA N N 86 126.280 126.280 119.072 7.208 25446 5128 1 13 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.093 1.196 25446 5129 1 13 . 1 1 86 86 ALA H H 86 8.340 8.340 7.425 0.915 25446 5130 1 13 . 1 1 87 87 LYS N N 87 121.709 121.709 119.513 2.196 25446 5131 1 13 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.471 0.733 25446 5132 1 13 . 1 1 87 87 LYS H H 87 8.334 8.334 9.119 -0.785 25446 5133 1 13 . 1 1 88 88 LEU N N 88 125.379 125.379 119.359 6.020 25446 5134 1 13 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.414 -4.414 25446 5135 1 13 . 1 1 88 88 LEU H H 88 8.435 8.435 7.610 0.825 25446 5136 1 14 . 1 1 2 2 GLN N N 2 123.771 123.771 120.226 3.545 25446 5137 1 14 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.435 -0.305 25446 5138 1 14 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.587 1.962 25446 5139 1 14 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.913 1.250 25446 5140 1 14 . 1 1 2 2 GLN H H 2 9.634 9.634 8.645 0.989 25446 5141 1 14 . 1 1 3 3 HIS N N 3 119.013 119.013 117.131 1.882 25446 5142 1 14 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.115 1.069 25446 5143 1 14 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.974 -1.971 25446 5144 1 14 . 1 1 3 3 HIS CB C 3 31.088 31.088 27.540 3.548 25446 5145 1 14 . 1 1 3 3 HIS H H 3 9.946 9.946 8.621 1.325 25446 5146 1 14 . 1 1 4 4 ALA N N 4 122.550 122.550 121.153 1.397 25446 5147 1 14 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.006 -0.115 25446 5148 1 14 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.053 1.507 25446 5149 1 14 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.883 -0.091 25446 5150 1 14 . 1 1 4 4 ALA H H 4 7.524 7.524 8.206 -0.682 25446 5151 1 14 . 1 1 5 5 SER N N 5 112.310 112.310 113.520 -1.210 25446 5152 1 14 . 1 1 5 5 SER HA H 5 4.295 4.295 4.228 0.067 25446 5153 1 14 . 1 1 5 5 SER CA C 5 62.089 62.089 61.237 0.852 25446 5154 1 14 . 1 1 5 5 SER CB C 5 62.421 62.421 62.455 -0.034 25446 5155 1 14 . 1 1 5 5 SER H H 5 8.772 8.772 8.203 0.569 25446 5156 1 14 . 1 1 6 6 VAL N N 6 122.625 122.625 122.611 0.014 25446 5157 1 14 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.840 0.271 25446 5158 1 14 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.312 -0.604 25446 5159 1 14 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.607 1.133 25446 5160 1 14 . 1 1 6 6 VAL H H 6 7.657 7.657 7.520 0.137 25446 5161 1 14 . 1 1 7 7 ILE N N 7 121.536 121.536 120.279 1.257 25446 5162 1 14 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.608 0.618 25446 5163 1 14 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.707 -0.414 25446 5164 1 14 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.347 1.284 25446 5165 1 14 . 1 1 7 7 ILE H H 7 8.526 8.526 7.316 1.210 25446 5166 1 14 . 1 1 8 8 ALA N N 8 121.229 121.229 121.164 0.065 25446 5167 1 14 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.014 -0.118 25446 5168 1 14 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.416 0.826 25446 5169 1 14 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.046 0.685 25446 5170 1 14 . 1 1 8 8 ALA H H 8 8.946 8.946 7.728 1.218 25446 5171 1 14 . 1 1 9 9 GLN N N 9 114.998 114.998 119.485 -4.487 25446 5172 1 14 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.089 -0.216 25446 5173 1 14 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.126 -0.167 25446 5174 1 14 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.858 -1.045 25446 5175 1 14 . 1 1 9 9 GLN H H 9 7.731 7.731 8.354 -0.623 25446 5176 1 14 . 1 1 10 10 PHE N N 10 120.075 120.075 121.261 -1.186 25446 5177 1 14 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.248 -0.170 25446 5178 1 14 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.843 -0.990 25446 5179 1 14 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.306 -0.483 25446 5180 1 14 . 1 1 10 10 PHE H H 10 7.299 7.299 8.884 -1.585 25446 5181 1 14 . 1 1 11 11 VAL N N 11 117.458 117.458 118.868 -1.410 25446 5182 1 14 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.827 -0.520 25446 5183 1 14 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.231 0.213 25446 5184 1 14 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.319 -0.631 25446 5185 1 14 . 1 1 11 11 VAL H H 11 8.363 8.363 8.034 0.329 25446 5186 1 14 . 1 1 12 12 VAL N N 12 117.722 117.722 119.473 -1.751 25446 5187 1 14 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.798 -0.051 25446 5188 1 14 . 1 1 12 12 VAL CA C 12 65.919 65.919 67.108 -1.189 25446 5189 1 14 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.455 -0.188 25446 5190 1 14 . 1 1 12 12 VAL H H 12 8.289 8.289 8.434 -0.145 25446 5191 1 14 . 1 1 13 13 GLU N N 13 117.827 117.827 119.746 -1.919 25446 5192 1 14 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.957 -0.215 25446 5193 1 14 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.238 -0.045 25446 5194 1 14 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.315 0.179 25446 5195 1 14 . 1 1 13 13 GLU H H 13 7.758 7.758 8.566 -0.808 25446 5196 1 14 . 1 1 14 14 GLU N N 14 113.425 113.425 117.716 -4.291 25446 5197 1 14 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.780 -0.008 25446 5198 1 14 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.898 -1.291 25446 5199 1 14 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.400 0.099 25446 5200 1 14 . 1 1 14 14 GLU H H 14 7.604 7.604 7.620 -0.016 25446 5201 1 14 . 1 1 15 15 PHE N N 15 114.097 114.097 114.730 -0.633 25446 5202 1 14 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.665 0.276 25446 5203 1 14 . 1 1 15 15 PHE CA C 15 57.993 57.993 58.968 -0.974 25446 5204 1 14 . 1 1 15 15 PHE CB C 15 41.992 41.992 41.039 0.953 25446 5205 1 14 . 1 1 15 15 PHE H H 15 7.916 7.916 7.418 0.498 25446 5206 1 14 . 1 1 16 16 LEU N N 16 121.405 121.405 121.015 0.390 25446 5207 1 14 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.854 0.113 25446 5208 1 14 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.562 -0.245 25446 5209 1 14 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.700 1.035 25446 5210 1 14 . 1 1 16 16 LEU H H 16 8.046 8.046 8.262 -0.216 25446 5211 1 14 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.608 -0.234 25446 5212 1 14 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.199 1.466 25446 5213 1 14 . 1 1 18 18 ASP N N 18 116.413 116.413 118.086 -1.673 25446 5214 1 14 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.594 -0.010 25446 5215 1 14 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.592 -0.002 25446 5216 1 14 . 1 1 18 18 ASP H H 18 8.415 8.415 8.621 -0.206 25446 5217 1 14 . 1 1 19 19 VAL N N 19 122.077 122.077 119.730 2.347 25446 5218 1 14 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.229 -0.116 25446 5219 1 14 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.915 0.432 25446 5220 1 14 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.890 -1.503 25446 5221 1 14 . 1 1 19 19 VAL H H 19 7.771 7.771 7.172 0.599 25446 5222 1 14 . 1 1 20 20 ALA N N 20 129.197 129.197 129.759 -0.562 25446 5223 1 14 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.434 0.154 25446 5224 1 14 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.919 -0.691 25446 5225 1 14 . 1 1 20 20 ALA CB C 20 17.423 17.423 17.913 -0.490 25446 5226 1 14 . 1 1 20 20 ALA H H 20 8.765 8.765 8.473 0.292 25446 5227 1 14 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.242 -0.168 25446 5228 1 14 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.170 0.971 25446 5229 1 14 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.986 -0.648 25446 5230 1 14 . 1 1 22 22 ALA N N 22 115.949 115.949 118.389 -2.440 25446 5231 1 14 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.214 -0.097 25446 5232 1 14 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.888 -0.105 25446 5233 1 14 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.372 0.380 25446 5234 1 14 . 1 1 22 22 ALA H H 22 8.074 8.074 8.030 0.044 25446 5235 1 14 . 1 1 23 23 ASP N N 23 115.451 115.451 117.659 -2.208 25446 5236 1 14 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.746 -0.094 25446 5237 1 14 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.375 0.069 25446 5238 1 14 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.240 -0.100 25446 5239 1 14 . 1 1 23 23 ASP H H 23 8.023 8.023 7.784 0.239 25446 5240 1 14 . 1 1 24 24 VAL N N 24 121.382 121.382 120.391 0.991 25446 5241 1 14 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.099 -0.271 25446 5242 1 14 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.824 0.487 25446 5243 1 14 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.530 -1.666 25446 5244 1 14 . 1 1 24 24 VAL H H 24 7.072 7.072 7.327 -0.255 25446 5245 1 14 . 1 1 25 25 ASP N N 25 129.258 129.258 126.648 2.610 25446 5246 1 14 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.553 0.019 25446 5247 1 14 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.899 0.571 25446 5248 1 14 . 1 1 25 25 ASP H H 25 8.499 8.499 8.731 -0.232 25446 5249 1 14 . 1 1 26 26 VAL N N 26 121.736 121.736 119.566 2.170 25446 5250 1 14 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.860 0.248 25446 5251 1 14 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.480 0.996 25446 5252 1 14 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.376 -0.159 25446 5253 1 14 . 1 1 26 26 VAL H H 26 8.566 8.566 7.938 0.628 25446 5254 1 14 . 1 1 27 27 ASP N N 27 116.233 116.233 119.349 -3.116 25446 5255 1 14 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.652 0.502 25446 5256 1 14 . 1 1 27 27 ASP CA C 27 54.123 54.123 53.674 0.449 25446 5257 1 14 . 1 1 27 27 ASP CB C 27 42.592 42.592 41.575 1.017 25446 5258 1 14 . 1 1 27 27 ASP H H 27 8.638 8.638 7.948 0.690 25446 5259 1 14 . 1 1 28 28 LEU N N 28 125.046 125.046 122.135 2.911 25446 5260 1 14 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.406 -0.380 25446 5261 1 14 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.853 1.014 25446 5262 1 14 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.527 -0.119 25446 5263 1 14 . 1 1 28 28 LEU H H 28 7.389 7.389 7.447 -0.058 25446 5264 1 14 . 1 1 29 29 ASP N N 29 125.807 125.807 126.338 -0.531 25446 5265 1 14 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.756 0.075 25446 5266 1 14 . 1 1 29 29 ASP H H 29 8.731 8.731 8.625 0.106 25446 5267 1 14 . 1 1 30 30 LEU N N 30 130.007 130.007 121.206 8.801 25446 5268 1 14 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.361 -0.463 25446 5269 1 14 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.145 0.274 25446 5270 1 14 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.376 0.747 25446 5271 1 14 . 1 1 30 30 LEU H H 30 9.744 9.744 8.325 1.419 25446 5272 1 14 . 1 1 31 31 VAL N N 31 121.093 121.093 122.383 -1.290 25446 5273 1 14 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.567 0.659 25446 5274 1 14 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.106 -1.715 25446 5275 1 14 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.553 0.628 25446 5276 1 14 . 1 1 31 31 VAL H H 31 8.166 8.166 7.791 0.375 25446 5277 1 14 . 1 1 32 32 ASP N N 32 124.657 124.657 119.784 4.873 25446 5278 1 14 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.364 -0.000 25446 5279 1 14 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.715 0.404 25446 5280 1 14 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.504 0.256 25446 5281 1 14 . 1 1 32 32 ASP H H 32 9.365 9.365 8.024 1.341 25446 5282 1 14 . 1 1 33 33 ASN N N 33 111.260 111.260 117.429 -6.169 25446 5283 1 14 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.600 0.140 25446 5284 1 14 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.534 1.278 25446 5285 1 14 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.962 1.144 25446 5286 1 14 . 1 1 33 33 ASN H H 33 7.423 7.423 7.895 -0.472 25446 5287 1 14 . 1 1 34 34 GLY N N 34 106.935 106.935 109.642 -2.707 25446 5288 1 14 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.914 -0.290 25446 5289 1 14 . 1 1 34 34 GLY H H 34 7.648 7.648 8.535 -0.887 25446 5290 1 14 . 1 1 35 35 VAL N N 35 120.307 120.307 122.566 -2.259 25446 5291 1 14 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.642 0.138 25446 5292 1 14 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.864 0.161 25446 5293 1 14 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.760 0.029 25446 5294 1 14 . 1 1 35 35 VAL H H 35 7.838 7.838 7.454 0.384 25446 5295 1 14 . 1 1 36 36 ILE N N 36 116.154 116.154 119.456 -3.302 25446 5296 1 14 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.921 -0.162 25446 5297 1 14 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.520 -2.943 25446 5298 1 14 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.832 1.393 25446 5299 1 14 . 1 1 36 36 ILE H H 36 7.337 7.337 8.563 -1.226 25446 5300 1 14 . 1 1 37 37 ASP N N 37 126.730 126.730 120.461 6.269 25446 5301 1 14 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.726 1.003 25446 5302 1 14 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.923 -5.286 25446 5303 1 14 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.323 0.928 25446 5304 1 14 . 1 1 37 37 ASP H H 37 7.921 7.921 8.379 -0.458 25446 5305 1 14 . 1 1 38 38 SER N N 38 113.176 113.176 113.972 -0.796 25446 5306 1 14 . 1 1 38 38 SER HA H 38 4.122 4.122 4.536 -0.414 25446 5307 1 14 . 1 1 38 38 SER CA C 38 61.062 61.062 59.642 1.420 25446 5308 1 14 . 1 1 39 39 LEU N N 39 122.521 122.521 123.569 -1.048 25446 5309 1 14 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.090 0.183 25446 5310 1 14 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.510 -1.140 25446 5311 1 14 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.961 -0.702 25446 5312 1 14 . 1 1 39 39 LEU H H 39 7.675 7.675 7.805 -0.130 25446 5313 1 14 . 1 1 40 40 GLY N N 40 111.971 111.971 106.283 5.688 25446 5314 1 14 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.044 1.076 25446 5315 1 14 . 1 1 40 40 GLY H H 40 8.776 8.776 7.641 1.135 25446 5316 1 14 . 1 1 41 41 LEU N N 41 122.579 122.579 123.532 -0.953 25446 5317 1 14 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.170 -0.325 25446 5318 1 14 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.850 0.415 25446 5319 1 14 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.960 -0.381 25446 5320 1 14 . 1 1 41 41 LEU H H 41 8.551 8.551 8.450 0.101 25446 5321 1 14 . 1 1 42 42 LEU N N 42 116.126 116.126 119.160 -3.034 25446 5322 1 14 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.946 0.063 25446 5323 1 14 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.461 -0.360 25446 5324 1 14 . 1 1 42 42 LEU CB C 42 40.947 40.947 40.863 0.084 25446 5325 1 14 . 1 1 42 42 LEU H H 42 7.213 7.213 8.390 -1.177 25446 5326 1 14 . 1 1 43 43 LYS N N 43 119.793 119.793 119.646 0.147 25446 5327 1 14 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.110 0.172 25446 5328 1 14 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.066 -0.495 25446 5329 1 14 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.529 0.008 25446 5330 1 14 . 1 1 43 43 LYS H H 43 7.664 7.664 7.553 0.111 25446 5331 1 14 . 1 1 44 44 VAL N N 44 121.147 121.147 120.857 0.290 25446 5332 1 14 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.002 -0.065 25446 5333 1 14 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.649 0.169 25446 5334 1 14 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.954 -0.395 25446 5335 1 14 . 1 1 44 44 VAL H H 44 8.278 8.278 8.464 -0.186 25446 5336 1 14 . 1 1 45 45 ILE N N 45 119.222 119.222 120.814 -1.592 25446 5337 1 14 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.703 -0.298 25446 5338 1 14 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.218 1.843 25446 5339 1 14 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.200 1.039 25446 5340 1 14 . 1 1 45 45 ILE H H 45 8.127 8.127 8.658 -0.531 25446 5341 1 14 . 1 1 46 46 ALA N N 46 121.011 121.011 122.245 -1.234 25446 5342 1 14 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.145 0.087 25446 5343 1 14 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.182 -0.222 25446 5344 1 14 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.480 -0.140 25446 5345 1 14 . 1 1 46 46 ALA H H 46 7.811 7.811 7.995 -0.184 25446 5346 1 14 . 1 1 47 47 TRP N N 47 121.158 121.158 120.831 0.327 25446 5347 1 14 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.493 -0.258 25446 5348 1 14 . 1 1 47 47 TRP CA C 47 61.834 61.834 59.643 2.191 25446 5349 1 14 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.630 -1.410 25446 5350 1 14 . 1 1 47 47 TRP H H 47 8.094 8.094 8.166 -0.072 25446 5351 1 14 . 1 1 48 48 LEU N N 48 118.890 118.890 120.626 -1.736 25446 5352 1 14 . 1 1 48 48 LEU HA H 48 3.573 3.573 3.292 0.281 25446 5353 1 14 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.367 -0.175 25446 5354 1 14 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.728 0.526 25446 5355 1 14 . 1 1 48 48 LEU H H 48 8.704 8.704 8.666 0.038 25446 5356 1 14 . 1 1 49 49 GLU N N 49 118.917 118.917 117.835 1.082 25446 5357 1 14 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.982 0.064 25446 5358 1 14 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.419 0.289 25446 5359 1 14 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.300 0.316 25446 5360 1 14 . 1 1 49 49 GLU H H 49 7.808 7.808 8.068 -0.260 25446 5361 1 14 . 1 1 50 50 ASP N N 50 119.614 119.614 119.573 0.041 25446 5362 1 14 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.412 -0.172 25446 5363 1 14 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.574 0.435 25446 5364 1 14 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.950 1.427 25446 5365 1 14 . 1 1 50 50 ASP H H 50 7.677 7.677 7.798 -0.121 25446 5366 1 14 . 1 1 51 51 ARG N N 51 116.918 116.918 116.991 -0.073 25446 5367 1 14 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.969 -0.244 25446 5368 1 14 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.170 -1.882 25446 5369 1 14 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.278 -0.994 25446 5370 1 14 . 1 1 51 51 ARG H H 51 8.876 8.876 7.489 1.387 25446 5371 1 14 . 1 1 52 52 PHE N N 52 112.278 112.278 115.287 -3.009 25446 5372 1 14 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.596 0.061 25446 5373 1 14 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.291 -1.241 25446 5374 1 14 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.352 1.400 25446 5375 1 14 . 1 1 52 52 PHE H H 52 7.330 7.330 7.472 -0.142 25446 5376 1 14 . 1 1 53 53 GLY N N 53 109.717 109.717 109.129 0.588 25446 5377 1 14 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.687 0.959 25446 5378 1 14 . 1 1 53 53 GLY H H 53 7.411 7.411 8.211 -0.800 25446 5379 1 14 . 1 1 54 54 ILE N N 54 119.148 119.148 120.496 -1.348 25446 5380 1 14 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.084 -0.141 25446 5381 1 14 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.804 -0.204 25446 5382 1 14 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.923 0.586 25446 5383 1 14 . 1 1 54 54 ILE H H 54 6.901 6.901 7.625 -0.724 25446 5384 1 14 . 1 1 55 55 ALA N N 55 129.774 129.774 128.696 1.078 25446 5385 1 14 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.314 0.088 25446 5386 1 14 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.256 -0.608 25446 5387 1 14 . 1 1 55 55 ALA H H 55 8.538 8.538 8.421 0.117 25446 5388 1 14 . 1 1 56 56 ALA N N 56 126.034 126.034 125.797 0.237 25446 5389 1 14 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.462 -0.189 25446 5390 1 14 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.372 -0.760 25446 5391 1 14 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.960 0.162 25446 5392 1 14 . 1 1 56 56 ALA H H 56 8.620 8.620 8.730 -0.110 25446 5393 1 14 . 1 1 57 57 ASP N N 57 115.649 115.649 115.545 0.104 25446 5394 1 14 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.515 -0.039 25446 5395 1 14 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.475 0.695 25446 5396 1 14 . 1 1 57 57 ASP H H 57 8.321 8.321 8.177 0.144 25446 5397 1 14 . 1 1 58 58 ASP N N 58 118.298 118.298 119.343 -1.045 25446 5398 1 14 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.430 0.238 25446 5399 1 14 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.997 -1.195 25446 5400 1 14 . 1 1 58 58 ASP H H 58 7.971 7.971 7.853 0.118 25446 5401 1 14 . 1 1 59 59 VAL N N 59 118.443 118.443 118.396 0.047 25446 5402 1 14 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.251 -0.042 25446 5403 1 14 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.297 0.773 25446 5404 1 14 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.603 -1.274 25446 5405 1 14 . 1 1 59 59 VAL H H 59 7.700 7.700 7.362 0.338 25446 5406 1 14 . 1 1 60 60 GLU N N 60 122.777 122.777 126.193 -3.416 25446 5407 1 14 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.384 -0.101 25446 5408 1 14 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.258 0.060 25446 5409 1 14 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.406 -0.529 25446 5410 1 14 . 1 1 60 60 GLU H H 60 8.416 8.416 8.390 0.026 25446 5411 1 14 . 1 1 61 61 LEU N N 61 124.910 124.910 125.118 -0.208 25446 5412 1 14 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.633 -0.276 25446 5413 1 14 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.453 0.709 25446 5414 1 14 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.199 -1.353 25446 5415 1 14 . 1 1 61 61 LEU H H 61 8.249 8.249 8.463 -0.214 25446 5416 1 14 . 1 1 62 62 SER N N 62 118.228 118.228 116.928 1.300 25446 5417 1 14 . 1 1 62 62 SER HA H 62 4.816 4.816 4.966 -0.150 25446 5418 1 14 . 1 1 62 62 SER CB C 62 63.963 63.963 65.657 -1.694 25446 5419 1 14 . 1 1 62 62 SER H H 62 8.025 8.025 8.187 -0.162 25446 5420 1 14 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.620 -0.366 25446 5421 1 14 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.057 -0.163 25446 5422 1 14 . 1 1 64 64 GLU N N 64 116.457 116.457 118.196 -1.739 25446 5423 1 14 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.102 -0.235 25446 5424 1 14 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.175 -0.429 25446 5425 1 14 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.235 -0.528 25446 5426 1 14 . 1 1 64 64 GLU H H 64 8.310 8.310 8.987 -0.677 25446 5427 1 14 . 1 1 65 65 HIS N N 65 114.998 114.998 118.895 -3.897 25446 5428 1 14 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.041 0.256 25446 5429 1 14 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.079 -0.714 25446 5430 1 14 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.389 0.218 25446 5431 1 14 . 1 1 65 65 HIS H H 65 7.324 7.324 7.632 -0.308 25446 5432 1 14 . 1 1 66 66 PHE N N 66 115.965 115.965 114.887 1.078 25446 5433 1 14 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.419 0.363 25446 5434 1 14 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.291 -2.625 25446 5435 1 14 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.382 0.602 25446 5436 1 14 . 1 1 66 66 PHE H H 66 7.245 7.245 7.345 -0.100 25446 5437 1 14 . 1 1 67 67 ARG N N 67 112.179 112.179 118.194 -6.015 25446 5438 1 14 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.997 0.087 25446 5439 1 14 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.164 0.127 25446 5440 1 14 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.904 0.733 25446 5441 1 14 . 1 1 67 67 ARG H H 67 6.632 6.632 7.545 -0.913 25446 5442 1 14 . 1 1 68 68 SER N N 68 109.181 109.181 109.580 -0.399 25446 5443 1 14 . 1 1 68 68 SER HA H 68 4.985 4.985 4.689 0.296 25446 5444 1 14 . 1 1 68 68 SER CA C 68 55.664 55.664 56.324 -0.660 25446 5445 1 14 . 1 1 68 68 SER CB C 68 67.608 67.608 65.963 1.645 25446 5446 1 14 . 1 1 68 68 SER H H 68 8.139 8.139 7.319 0.820 25446 5447 1 14 . 1 1 69 69 ILE N N 69 122.526 122.526 123.546 -1.020 25446 5448 1 14 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.731 -0.049 25446 5449 1 14 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.257 1.481 25446 5450 1 14 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.729 -0.741 25446 5451 1 14 . 1 1 69 69 ILE H H 69 9.770 9.770 8.950 0.820 25446 5452 1 14 . 1 1 70 70 ARG N N 70 118.671 118.671 120.350 -1.679 25446 5453 1 14 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.907 0.061 25446 5454 1 14 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.985 0.344 25446 5455 1 14 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.808 0.492 25446 5456 1 14 . 1 1 70 70 ARG H H 70 8.860 8.860 8.521 0.339 25446 5457 1 14 . 1 1 71 71 SER N N 71 117.722 117.722 115.547 2.175 25446 5458 1 14 . 1 1 71 71 SER HA H 71 4.346 4.346 4.183 0.163 25446 5459 1 14 . 1 1 71 71 SER CB C 71 62.962 62.962 62.751 0.211 25446 5460 1 14 . 1 1 71 71 SER H H 71 8.534 8.534 7.622 0.912 25446 5461 1 14 . 1 1 72 72 ILE N N 72 127.380 127.380 122.085 5.295 25446 5462 1 14 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.547 0.378 25446 5463 1 14 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.000 1.745 25446 5464 1 14 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.556 -0.195 25446 5465 1 14 . 1 1 72 72 ILE H H 72 8.789 8.789 7.026 1.763 25446 5466 1 14 . 1 1 73 73 ASP N N 73 121.443 121.443 120.963 0.480 25446 5467 1 14 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.253 -0.241 25446 5468 1 14 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.392 1.708 25446 5469 1 14 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.564 3.116 25446 5470 1 14 . 1 1 73 73 ASP H H 73 8.699 8.699 7.995 0.704 25446 5471 1 14 . 1 1 74 74 ALA N N 74 118.799 118.799 122.667 -3.868 25446 5472 1 14 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.120 -0.081 25446 5473 1 14 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.083 0.152 25446 5474 1 14 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.601 -0.652 25446 5475 1 14 . 1 1 74 74 ALA H H 74 8.042 8.042 7.923 0.119 25446 5476 1 14 . 1 1 75 75 PHE N N 75 121.125 121.125 118.342 2.783 25446 5477 1 14 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.192 -0.147 25446 5478 1 14 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.592 -0.641 25446 5479 1 14 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.717 0.154 25446 5480 1 14 . 1 1 75 75 PHE H H 75 8.369 8.369 8.053 0.316 25446 5481 1 14 . 1 1 76 76 VAL N N 76 120.715 120.715 119.128 1.587 25446 5482 1 14 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.611 -0.661 25446 5483 1 14 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.080 -0.251 25446 5484 1 14 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.291 -0.064 25446 5485 1 14 . 1 1 76 76 VAL H H 76 8.555 8.555 8.529 0.026 25446 5486 1 14 . 1 1 77 77 VAL N N 77 121.286 121.286 119.729 1.557 25446 5487 1 14 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.626 -0.133 25446 5488 1 14 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.309 0.469 25446 5489 1 14 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.566 0.300 25446 5490 1 14 . 1 1 77 77 VAL H H 77 8.770 8.770 8.492 0.278 25446 5491 1 14 . 1 1 78 78 GLY N N 78 106.349 106.349 105.878 0.471 25446 5492 1 14 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.664 -0.032 25446 5493 1 14 . 1 1 78 78 GLY H H 78 7.976 7.976 8.066 -0.090 25446 5494 1 14 . 1 1 79 79 ALA N N 79 120.998 120.998 122.178 -1.180 25446 5495 1 14 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.617 -0.410 25446 5496 1 14 . 1 1 79 79 ALA CA C 79 52.796 52.796 53.005 -0.209 25446 5497 1 14 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.585 -1.319 25446 5498 1 14 . 1 1 79 79 ALA H H 79 7.647 7.647 7.344 0.303 25446 5499 1 14 . 1 1 80 80 THR N N 80 107.402 107.402 114.192 -6.790 25446 5500 1 14 . 1 1 80 80 THR HA H 80 4.454 4.454 4.432 0.022 25446 5501 1 14 . 1 1 80 80 THR CA C 80 61.337 61.337 61.754 -0.417 25446 5502 1 14 . 1 1 80 80 THR CB C 80 70.703 70.703 70.811 -0.107 25446 5503 1 14 . 1 1 80 80 THR H H 80 7.469 7.469 8.278 -0.809 25446 5504 1 14 . 1 1 81 81 THR N N 81 119.746 119.746 118.081 1.665 25446 5505 1 14 . 1 1 81 81 THR HA H 81 4.668 4.668 4.630 0.038 25446 5506 1 14 . 1 1 81 81 THR CA C 81 60.448 60.448 58.285 2.163 25446 5507 1 14 . 1 1 81 81 THR CB C 81 70.062 70.062 69.371 0.691 25446 5508 1 14 . 1 1 81 81 THR H H 81 7.684 7.684 8.008 -0.324 25446 5509 1 14 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.740 -0.041 25446 5510 1 14 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.825 0.785 25446 5511 1 14 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.352 -0.348 25446 5512 1 14 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.300 0.173 25446 5513 1 14 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.318 0.493 25446 5514 1 14 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.213 -0.132 25446 5515 1 14 . 1 1 84 84 VAL N N 84 120.611 120.611 122.491 -1.880 25446 5516 1 14 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.227 -0.180 25446 5517 1 14 . 1 1 84 84 VAL CA C 84 62.313 62.313 61.206 1.107 25446 5518 1 14 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.425 -1.553 25446 5519 1 14 . 1 1 84 84 VAL H H 84 8.240 8.240 8.098 0.142 25446 5520 1 14 . 1 1 85 85 GLU N N 85 125.076 125.076 126.679 -1.603 25446 5521 1 14 . 1 1 85 85 GLU H H 85 8.434 8.434 8.902 -0.468 25446 5522 1 14 . 1 1 86 86 ALA N N 86 126.280 126.280 117.220 9.060 25446 5523 1 14 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.968 1.320 25446 5524 1 14 . 1 1 86 86 ALA H H 86 8.340 8.340 7.617 0.723 25446 5525 1 14 . 1 1 87 87 LYS N N 87 121.709 121.709 123.033 -1.324 25446 5526 1 14 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.204 1.000 25446 5527 1 14 . 1 1 87 87 LYS H H 87 8.334 8.334 9.521 -1.187 25446 5528 1 14 . 1 1 88 88 LEU N N 88 125.379 125.379 118.325 7.054 25446 5529 1 14 . 1 1 88 88 LEU HA H 88 0.000 0.000 3.966 -3.966 25446 5530 1 14 . 1 1 88 88 LEU H H 88 8.435 8.435 8.015 0.420 25446 5531 1 15 . 1 1 2 2 GLN N N 2 123.771 123.771 119.187 4.584 25446 5532 1 15 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.612 -0.482 25446 5533 1 15 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.168 2.381 25446 5534 1 15 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.611 -0.449 25446 5535 1 15 . 1 1 2 2 GLN H H 2 9.634 9.634 8.479 1.155 25446 5536 1 15 . 1 1 3 3 HIS N N 3 119.013 119.013 118.712 0.301 25446 5537 1 15 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.094 1.090 25446 5538 1 15 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.634 -2.631 25446 5539 1 15 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.638 1.450 25446 5540 1 15 . 1 1 3 3 HIS H H 3 9.946 9.946 8.802 1.144 25446 5541 1 15 . 1 1 4 4 ALA N N 4 122.550 122.550 120.520 2.030 25446 5542 1 15 . 1 1 4 4 ALA HA H 4 3.891 3.891 3.977 -0.086 25446 5543 1 15 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.354 1.206 25446 5544 1 15 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.871 -0.079 25446 5545 1 15 . 1 1 4 4 ALA H H 4 7.524 7.524 8.522 -0.998 25446 5546 1 15 . 1 1 5 5 SER N N 5 112.310 112.310 112.213 0.097 25446 5547 1 15 . 1 1 5 5 SER HA H 5 4.295 4.295 4.107 0.188 25446 5548 1 15 . 1 1 5 5 SER CA C 5 62.089 62.089 61.532 0.557 25446 5549 1 15 . 1 1 5 5 SER CB C 5 62.421 62.421 62.399 0.022 25446 5550 1 15 . 1 1 5 5 SER H H 5 8.772 8.772 8.220 0.552 25446 5551 1 15 . 1 1 6 6 VAL N N 6 122.625 122.625 122.647 -0.022 25446 5552 1 15 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.770 0.341 25446 5553 1 15 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.337 -0.629 25446 5554 1 15 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.379 1.361 25446 5555 1 15 . 1 1 6 6 VAL H H 6 7.657 7.657 7.124 0.533 25446 5556 1 15 . 1 1 7 7 ILE N N 7 121.536 121.536 120.991 0.545 25446 5557 1 15 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.749 0.477 25446 5558 1 15 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.960 -0.667 25446 5559 1 15 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.378 1.253 25446 5560 1 15 . 1 1 7 7 ILE H H 7 8.526 8.526 7.824 0.702 25446 5561 1 15 . 1 1 8 8 ALA N N 8 121.229 121.229 121.603 -0.374 25446 5562 1 15 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.013 -0.117 25446 5563 1 15 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.503 0.739 25446 5564 1 15 . 1 1 8 8 ALA CB C 8 18.731 18.731 17.995 0.736 25446 5565 1 15 . 1 1 8 8 ALA H H 8 8.946 8.946 8.082 0.864 25446 5566 1 15 . 1 1 9 9 GLN N N 9 114.998 114.998 119.375 -4.377 25446 5567 1 15 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.017 -0.144 25446 5568 1 15 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.943 0.016 25446 5569 1 15 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.873 -1.060 25446 5570 1 15 . 1 1 9 9 GLN H H 9 7.731 7.731 8.250 -0.519 25446 5571 1 15 . 1 1 10 10 PHE N N 10 120.075 120.075 121.225 -1.150 25446 5572 1 15 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.217 -0.139 25446 5573 1 15 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.406 -0.552 25446 5574 1 15 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.450 -0.627 25446 5575 1 15 . 1 1 10 10 PHE H H 10 7.299 7.299 8.906 -1.607 25446 5576 1 15 . 1 1 11 11 VAL N N 11 117.458 117.458 118.375 -0.917 25446 5577 1 15 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.734 -0.427 25446 5578 1 15 . 1 1 11 11 VAL CA C 11 66.444 66.444 67.083 -0.639 25446 5579 1 15 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.812 -0.124 25446 5580 1 15 . 1 1 11 11 VAL H H 11 8.363 8.363 8.645 -0.282 25446 5581 1 15 . 1 1 12 12 VAL N N 12 117.722 117.722 119.883 -2.161 25446 5582 1 15 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.835 0.912 25446 5583 1 15 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.431 0.488 25446 5584 1 15 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.241 1.026 25446 5585 1 15 . 1 1 12 12 VAL H H 12 8.289 8.289 8.657 -0.368 25446 5586 1 15 . 1 1 13 13 GLU N N 13 117.827 117.827 120.054 -2.227 25446 5587 1 15 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.765 -0.023 25446 5588 1 15 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.264 -0.071 25446 5589 1 15 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.100 0.394 25446 5590 1 15 . 1 1 13 13 GLU H H 13 7.758 7.758 8.261 -0.503 25446 5591 1 15 . 1 1 14 14 GLU N N 14 113.425 113.425 118.988 -5.563 25446 5592 1 15 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.021 -0.249 25446 5593 1 15 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.327 -1.720 25446 5594 1 15 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.251 -0.752 25446 5595 1 15 . 1 1 14 14 GLU H H 14 7.604 7.604 7.583 0.021 25446 5596 1 15 . 1 1 15 15 PHE N N 15 114.097 114.097 114.471 -0.374 25446 5597 1 15 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.759 0.182 25446 5598 1 15 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.572 2.421 25446 5599 1 15 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.163 2.829 25446 5600 1 15 . 1 1 15 15 PHE H H 15 7.916 7.916 7.414 0.502 25446 5601 1 15 . 1 1 16 16 LEU N N 16 121.405 121.405 121.513 -0.108 25446 5602 1 15 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.395 0.572 25446 5603 1 15 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.009 -0.692 25446 5604 1 15 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.528 3.207 25446 5605 1 15 . 1 1 16 16 LEU H H 16 8.046 8.046 7.329 0.717 25446 5606 1 15 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.461 -0.087 25446 5607 1 15 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.330 2.335 25446 5608 1 15 . 1 1 18 18 ASP N N 18 116.413 116.413 117.904 -1.491 25446 5609 1 15 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.558 0.026 25446 5610 1 15 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.546 0.044 25446 5611 1 15 . 1 1 18 18 ASP H H 18 8.415 8.415 8.437 -0.022 25446 5612 1 15 . 1 1 19 19 VAL N N 19 122.077 122.077 119.474 2.603 25446 5613 1 15 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.089 0.024 25446 5614 1 15 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.655 0.692 25446 5615 1 15 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.099 -0.712 25446 5616 1 15 . 1 1 19 19 VAL H H 19 7.771 7.771 7.343 0.428 25446 5617 1 15 . 1 1 20 20 ALA N N 20 129.197 129.197 130.327 -1.130 25446 5618 1 15 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.445 0.143 25446 5619 1 15 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.280 -0.052 25446 5620 1 15 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.281 -0.858 25446 5621 1 15 . 1 1 20 20 ALA H H 20 8.765 8.765 8.184 0.581 25446 5622 1 15 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.063 0.011 25446 5623 1 15 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.626 0.515 25446 5624 1 15 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.685 -0.347 25446 5625 1 15 . 1 1 22 22 ALA N N 22 115.949 115.949 117.522 -1.573 25446 5626 1 15 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.141 -0.024 25446 5627 1 15 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.150 -0.367 25446 5628 1 15 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.465 0.287 25446 5629 1 15 . 1 1 22 22 ALA H H 22 8.074 8.074 7.954 0.120 25446 5630 1 15 . 1 1 23 23 ASP N N 23 115.451 115.451 116.913 -1.462 25446 5631 1 15 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.815 -0.163 25446 5632 1 15 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.814 0.630 25446 5633 1 15 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.269 -0.129 25446 5634 1 15 . 1 1 23 23 ASP H H 23 8.023 8.023 8.245 -0.222 25446 5635 1 15 . 1 1 24 24 VAL N N 24 121.382 121.382 120.880 0.502 25446 5636 1 15 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.117 -0.289 25446 5637 1 15 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.446 0.865 25446 5638 1 15 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.424 -1.560 25446 5639 1 15 . 1 1 24 24 VAL H H 24 7.072 7.072 7.289 -0.217 25446 5640 1 15 . 1 1 25 25 ASP N N 25 129.258 129.258 129.072 0.186 25446 5641 1 15 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.624 -0.052 25446 5642 1 15 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.411 0.059 25446 5643 1 15 . 1 1 25 25 ASP H H 25 8.499 8.499 8.809 -0.310 25446 5644 1 15 . 1 1 26 26 VAL N N 26 121.736 121.736 122.176 -0.440 25446 5645 1 15 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.841 0.267 25446 5646 1 15 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.796 0.680 25446 5647 1 15 . 1 1 26 26 VAL CB C 26 31.217 31.217 32.092 -0.875 25446 5648 1 15 . 1 1 26 26 VAL H H 26 8.566 8.566 7.886 0.680 25446 5649 1 15 . 1 1 27 27 ASP N N 27 116.233 116.233 117.715 -1.482 25446 5650 1 15 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.688 0.466 25446 5651 1 15 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.181 -0.058 25446 5652 1 15 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.371 2.221 25446 5653 1 15 . 1 1 27 27 ASP H H 27 8.638 8.638 8.007 0.631 25446 5654 1 15 . 1 1 28 28 LEU N N 28 125.046 125.046 122.581 2.465 25446 5655 1 15 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.439 -0.413 25446 5656 1 15 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.873 0.994 25446 5657 1 15 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.541 -0.133 25446 5658 1 15 . 1 1 28 28 LEU H H 28 7.389 7.389 7.610 -0.221 25446 5659 1 15 . 1 1 29 29 ASP N N 29 125.807 125.807 124.644 1.163 25446 5660 1 15 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.577 0.254 25446 5661 1 15 . 1 1 29 29 ASP H H 29 8.731 8.731 8.591 0.140 25446 5662 1 15 . 1 1 30 30 LEU N N 30 130.007 130.007 121.264 8.743 25446 5663 1 15 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.489 -0.591 25446 5664 1 15 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.133 0.286 25446 5665 1 15 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.811 0.312 25446 5666 1 15 . 1 1 30 30 LEU H H 30 9.744 9.744 8.340 1.404 25446 5667 1 15 . 1 1 31 31 VAL N N 31 121.093 121.093 121.958 -0.865 25446 5668 1 15 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.618 0.608 25446 5669 1 15 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.362 -1.971 25446 5670 1 15 . 1 1 31 31 VAL CB C 31 32.181 32.181 30.905 1.276 25446 5671 1 15 . 1 1 31 31 VAL H H 31 8.166 8.166 7.998 0.168 25446 5672 1 15 . 1 1 32 32 ASP N N 32 124.657 124.657 119.844 4.813 25446 5673 1 15 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.375 -0.012 25446 5674 1 15 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.956 0.163 25446 5675 1 15 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.105 0.655 25446 5676 1 15 . 1 1 32 32 ASP H H 32 9.365 9.365 8.219 1.146 25446 5677 1 15 . 1 1 33 33 ASN N N 33 111.260 111.260 117.711 -6.451 25446 5678 1 15 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.575 0.165 25446 5679 1 15 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.911 0.901 25446 5680 1 15 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.882 1.224 25446 5681 1 15 . 1 1 33 33 ASN H H 33 7.423 7.423 7.660 -0.237 25446 5682 1 15 . 1 1 34 34 GLY N N 34 106.935 106.935 110.151 -3.216 25446 5683 1 15 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.981 -0.357 25446 5684 1 15 . 1 1 34 34 GLY H H 34 7.648 7.648 8.632 -0.984 25446 5685 1 15 . 1 1 35 35 VAL N N 35 120.307 120.307 123.267 -2.960 25446 5686 1 15 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.651 0.129 25446 5687 1 15 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.542 0.483 25446 5688 1 15 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.446 0.343 25446 5689 1 15 . 1 1 35 35 VAL H H 35 7.838 7.838 7.411 0.427 25446 5690 1 15 . 1 1 36 36 ILE N N 36 116.154 116.154 120.035 -3.881 25446 5691 1 15 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.695 0.064 25446 5692 1 15 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.612 -3.036 25446 5693 1 15 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.486 1.739 25446 5694 1 15 . 1 1 36 36 ILE H H 36 7.337 7.337 8.487 -1.150 25446 5695 1 15 . 1 1 37 37 ASP N N 37 126.730 126.730 120.517 6.213 25446 5696 1 15 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.551 1.178 25446 5697 1 15 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.717 -5.080 25446 5698 1 15 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.070 1.181 25446 5699 1 15 . 1 1 37 37 ASP H H 37 7.921 7.921 8.380 -0.459 25446 5700 1 15 . 1 1 38 38 SER N N 38 113.176 113.176 113.952 -0.776 25446 5701 1 15 . 1 1 38 38 SER HA H 38 4.122 4.122 4.510 -0.388 25446 5702 1 15 . 1 1 38 38 SER CA C 38 61.062 61.062 59.593 1.469 25446 5703 1 15 . 1 1 39 39 LEU N N 39 122.521 122.521 123.533 -1.012 25446 5704 1 15 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.063 0.210 25446 5705 1 15 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.435 -1.065 25446 5706 1 15 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.921 -0.662 25446 5707 1 15 . 1 1 39 39 LEU H H 39 7.675 7.675 7.749 -0.074 25446 5708 1 15 . 1 1 40 40 GLY N N 40 111.971 111.971 106.200 5.771 25446 5709 1 15 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.980 1.140 25446 5710 1 15 . 1 1 40 40 GLY H H 40 8.776 8.776 7.568 1.208 25446 5711 1 15 . 1 1 41 41 LEU N N 41 122.579 122.579 123.518 -0.939 25446 5712 1 15 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.176 -0.331 25446 5713 1 15 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.747 0.518 25446 5714 1 15 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.953 -0.374 25446 5715 1 15 . 1 1 41 41 LEU H H 41 8.551 8.551 8.358 0.193 25446 5716 1 15 . 1 1 42 42 LEU N N 42 116.126 116.126 119.004 -2.878 25446 5717 1 15 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.955 0.054 25446 5718 1 15 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.397 -0.296 25446 5719 1 15 . 1 1 42 42 LEU CB C 42 40.947 40.947 40.896 0.051 25446 5720 1 15 . 1 1 42 42 LEU H H 42 7.213 7.213 8.344 -1.131 25446 5721 1 15 . 1 1 43 43 LYS N N 43 119.793 119.793 119.549 0.244 25446 5722 1 15 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.089 0.193 25446 5723 1 15 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.907 -0.337 25446 5724 1 15 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.367 0.170 25446 5725 1 15 . 1 1 43 43 LYS H H 43 7.664 7.664 7.579 0.085 25446 5726 1 15 . 1 1 44 44 VAL N N 44 121.147 121.147 120.714 0.433 25446 5727 1 15 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.114 -0.177 25446 5728 1 15 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.325 -0.507 25446 5729 1 15 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.763 -0.204 25446 5730 1 15 . 1 1 44 44 VAL H H 44 8.278 8.278 8.508 -0.230 25446 5731 1 15 . 1 1 45 45 ILE N N 45 119.222 119.222 120.973 -1.751 25446 5732 1 15 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.803 -0.398 25446 5733 1 15 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.147 1.913 25446 5734 1 15 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.049 1.190 25446 5735 1 15 . 1 1 45 45 ILE H H 45 8.127 8.127 8.382 -0.255 25446 5736 1 15 . 1 1 46 46 ALA N N 46 121.011 121.011 123.131 -2.120 25446 5737 1 15 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.134 0.098 25446 5738 1 15 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.258 -0.298 25446 5739 1 15 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.520 -0.180 25446 5740 1 15 . 1 1 46 46 ALA H H 46 7.811 7.811 8.126 -0.315 25446 5741 1 15 . 1 1 47 47 TRP N N 47 121.158 121.158 120.895 0.263 25446 5742 1 15 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.438 -0.203 25446 5743 1 15 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.344 1.490 25446 5744 1 15 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.830 -1.610 25446 5745 1 15 . 1 1 47 47 TRP H H 47 8.094 8.094 8.418 -0.324 25446 5746 1 15 . 1 1 48 48 LEU N N 48 118.890 118.890 122.230 -3.340 25446 5747 1 15 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.828 0.745 25446 5748 1 15 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.468 -0.276 25446 5749 1 15 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.576 0.678 25446 5750 1 15 . 1 1 48 48 LEU H H 48 8.704 8.704 9.001 -0.297 25446 5751 1 15 . 1 1 49 49 GLU N N 49 118.917 118.917 119.715 -0.798 25446 5752 1 15 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.072 -0.026 25446 5753 1 15 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.506 0.202 25446 5754 1 15 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.153 0.463 25446 5755 1 15 . 1 1 49 49 GLU H H 49 7.808 7.808 8.024 -0.216 25446 5756 1 15 . 1 1 50 50 ASP N N 50 119.614 119.614 119.525 0.089 25446 5757 1 15 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.394 -0.154 25446 5758 1 15 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.168 0.841 25446 5759 1 15 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.861 1.516 25446 5760 1 15 . 1 1 50 50 ASP H H 50 7.677 7.677 7.406 0.271 25446 5761 1 15 . 1 1 51 51 ARG N N 51 116.918 116.918 118.537 -1.619 25446 5762 1 15 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.863 -0.138 25446 5763 1 15 . 1 1 51 51 ARG CA C 51 56.288 56.288 57.972 -1.684 25446 5764 1 15 . 1 1 51 51 ARG CB C 51 29.284 29.284 29.885 -0.601 25446 5765 1 15 . 1 1 51 51 ARG H H 51 8.876 8.876 7.697 1.179 25446 5766 1 15 . 1 1 52 52 PHE N N 52 112.278 112.278 113.725 -1.447 25446 5767 1 15 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.606 0.051 25446 5768 1 15 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.088 -1.038 25446 5769 1 15 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.900 0.852 25446 5770 1 15 . 1 1 52 52 PHE H H 52 7.330 7.330 7.769 -0.439 25446 5771 1 15 . 1 1 53 53 GLY N N 53 109.717 109.717 109.707 0.010 25446 5772 1 15 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.524 1.122 25446 5773 1 15 . 1 1 53 53 GLY H H 53 7.411 7.411 8.274 -0.863 25446 5774 1 15 . 1 1 54 54 ILE N N 54 119.148 119.148 120.359 -1.211 25446 5775 1 15 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.205 -0.262 25446 5776 1 15 . 1 1 54 54 ILE CA C 54 60.600 60.600 59.890 0.710 25446 5777 1 15 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.891 -0.382 25446 5778 1 15 . 1 1 54 54 ILE H H 54 6.901 6.901 7.383 -0.482 25446 5779 1 15 . 1 1 55 55 ALA N N 55 129.774 129.774 128.212 1.562 25446 5780 1 15 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.215 0.187 25446 5781 1 15 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.769 -1.121 25446 5782 1 15 . 1 1 55 55 ALA H H 55 8.538 8.538 8.271 0.267 25446 5783 1 15 . 1 1 56 56 ALA N N 56 126.034 126.034 123.422 2.612 25446 5784 1 15 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.114 0.159 25446 5785 1 15 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.617 -0.005 25446 5786 1 15 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.984 0.138 25446 5787 1 15 . 1 1 56 56 ALA H H 56 8.620 8.620 8.353 0.267 25446 5788 1 15 . 1 1 57 57 ASP N N 57 115.649 115.649 116.083 -0.434 25446 5789 1 15 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.446 0.030 25446 5790 1 15 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.531 0.639 25446 5791 1 15 . 1 1 57 57 ASP H H 57 8.321 8.321 8.341 -0.020 25446 5792 1 15 . 1 1 58 58 ASP N N 58 118.298 118.298 119.840 -1.542 25446 5793 1 15 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.530 0.138 25446 5794 1 15 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.542 0.260 25446 5795 1 15 . 1 1 58 58 ASP H H 58 7.971 7.971 8.323 -0.352 25446 5796 1 15 . 1 1 59 59 VAL N N 59 118.443 118.443 120.822 -2.379 25446 5797 1 15 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.530 -0.321 25446 5798 1 15 . 1 1 59 59 VAL CA C 59 62.070 62.070 60.069 2.001 25446 5799 1 15 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.937 -1.607 25446 5800 1 15 . 1 1 59 59 VAL H H 59 7.700 7.700 7.860 -0.160 25446 5801 1 15 . 1 1 60 60 GLU N N 60 122.777 122.777 121.386 1.391 25446 5802 1 15 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.290 -0.007 25446 5803 1 15 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.762 -0.444 25446 5804 1 15 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.140 -0.263 25446 5805 1 15 . 1 1 60 60 GLU H H 60 8.416 8.416 8.381 0.035 25446 5806 1 15 . 1 1 61 61 LEU N N 61 124.910 124.910 125.450 -0.540 25446 5807 1 15 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.693 -0.336 25446 5808 1 15 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.328 0.834 25446 5809 1 15 . 1 1 61 61 LEU CB C 61 41.845 41.845 44.254 -2.409 25446 5810 1 15 . 1 1 61 61 LEU H H 61 8.249 8.249 8.380 -0.131 25446 5811 1 15 . 1 1 62 62 SER N N 62 118.228 118.228 117.412 0.816 25446 5812 1 15 . 1 1 62 62 SER HA H 62 4.816 4.816 4.908 -0.092 25446 5813 1 15 . 1 1 62 62 SER CB C 62 63.963 63.963 64.485 -0.522 25446 5814 1 15 . 1 1 62 62 SER H H 62 8.025 8.025 8.240 -0.215 25446 5815 1 15 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.589 -0.335 25446 5816 1 15 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.023 -0.129 25446 5817 1 15 . 1 1 64 64 GLU N N 64 116.457 116.457 118.473 -2.016 25446 5818 1 15 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.133 -0.266 25446 5819 1 15 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.386 -0.640 25446 5820 1 15 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.011 -0.304 25446 5821 1 15 . 1 1 64 64 GLU H H 64 8.310 8.310 9.014 -0.704 25446 5822 1 15 . 1 1 65 65 HIS N N 65 114.998 114.998 119.449 -4.451 25446 5823 1 15 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.218 0.079 25446 5824 1 15 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.289 -0.924 25446 5825 1 15 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.575 0.032 25446 5826 1 15 . 1 1 65 65 HIS H H 65 7.324 7.324 7.817 -0.493 25446 5827 1 15 . 1 1 66 66 PHE N N 66 115.965 115.965 114.726 1.239 25446 5828 1 15 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.495 0.287 25446 5829 1 15 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.242 -2.576 25446 5830 1 15 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.696 0.288 25446 5831 1 15 . 1 1 66 66 PHE H H 66 7.245 7.245 7.589 -0.344 25446 5832 1 15 . 1 1 67 67 ARG N N 67 112.179 112.179 119.851 -7.672 25446 5833 1 15 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.013 0.071 25446 5834 1 15 . 1 1 67 67 ARG CA C 67 58.291 58.291 57.979 0.312 25446 5835 1 15 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.790 0.847 25446 5836 1 15 . 1 1 67 67 ARG H H 67 6.632 6.632 7.579 -0.947 25446 5837 1 15 . 1 1 68 68 SER N N 68 109.181 109.181 108.417 0.764 25446 5838 1 15 . 1 1 68 68 SER HA H 68 4.985 4.985 4.731 0.254 25446 5839 1 15 . 1 1 68 68 SER CA C 68 55.664 55.664 56.117 -0.453 25446 5840 1 15 . 1 1 68 68 SER CB C 68 67.608 67.608 66.395 1.213 25446 5841 1 15 . 1 1 68 68 SER H H 68 8.139 8.139 7.386 0.753 25446 5842 1 15 . 1 1 69 69 ILE N N 69 122.526 122.526 122.979 -0.453 25446 5843 1 15 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.785 -0.103 25446 5844 1 15 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.723 2.015 25446 5845 1 15 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.783 -0.795 25446 5846 1 15 . 1 1 69 69 ILE H H 69 9.770 9.770 8.832 0.938 25446 5847 1 15 . 1 1 70 70 ARG N N 70 118.671 118.671 119.238 -0.567 25446 5848 1 15 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.961 0.007 25446 5849 1 15 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.717 0.612 25446 5850 1 15 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.706 0.594 25446 5851 1 15 . 1 1 70 70 ARG H H 70 8.860 8.860 8.415 0.445 25446 5852 1 15 . 1 1 71 71 SER N N 71 117.722 117.722 115.756 1.966 25446 5853 1 15 . 1 1 71 71 SER HA H 71 4.346 4.346 4.131 0.215 25446 5854 1 15 . 1 1 71 71 SER CB C 71 62.962 62.962 62.564 0.398 25446 5855 1 15 . 1 1 71 71 SER H H 71 8.534 8.534 7.622 0.912 25446 5856 1 15 . 1 1 72 72 ILE N N 72 127.380 127.380 121.833 5.547 25446 5857 1 15 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.633 0.292 25446 5858 1 15 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.354 2.391 25446 5859 1 15 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.691 -0.330 25446 5860 1 15 . 1 1 72 72 ILE H H 72 8.789 8.789 7.142 1.647 25446 5861 1 15 . 1 1 73 73 ASP N N 73 121.443 121.443 120.552 0.891 25446 5862 1 15 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.324 -0.312 25446 5863 1 15 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.236 1.864 25446 5864 1 15 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.600 3.079 25446 5865 1 15 . 1 1 73 73 ASP H H 73 8.699 8.699 7.691 1.008 25446 5866 1 15 . 1 1 74 74 ALA N N 74 118.799 118.799 121.730 -2.931 25446 5867 1 15 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.071 -0.032 25446 5868 1 15 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.304 -0.069 25446 5869 1 15 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.157 -0.208 25446 5870 1 15 . 1 1 74 74 ALA H H 74 8.042 8.042 7.724 0.318 25446 5871 1 15 . 1 1 75 75 PHE N N 75 121.125 121.125 119.688 1.437 25446 5872 1 15 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.173 -0.128 25446 5873 1 15 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.277 -0.326 25446 5874 1 15 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.388 -0.517 25446 5875 1 15 . 1 1 75 75 PHE H H 75 8.369 8.369 7.592 0.777 25446 5876 1 15 . 1 1 76 76 VAL N N 76 120.715 120.715 119.042 1.673 25446 5877 1 15 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.600 -0.650 25446 5878 1 15 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.936 -0.107 25446 5879 1 15 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.177 0.050 25446 5880 1 15 . 1 1 76 76 VAL H H 76 8.555 8.555 7.895 0.660 25446 5881 1 15 . 1 1 77 77 VAL N N 77 121.286 121.286 119.801 1.485 25446 5882 1 15 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.985 -0.492 25446 5883 1 15 . 1 1 77 77 VAL CA C 77 66.778 66.778 64.911 1.867 25446 5884 1 15 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.245 0.621 25446 5885 1 15 . 1 1 77 77 VAL H H 77 8.770 8.770 8.561 0.209 25446 5886 1 15 . 1 1 78 78 GLY N N 78 106.349 106.349 105.560 0.789 25446 5887 1 15 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.203 0.429 25446 5888 1 15 . 1 1 78 78 GLY H H 78 7.976 7.976 7.966 0.010 25446 5889 1 15 . 1 1 79 79 ALA N N 79 120.998 120.998 122.824 -1.826 25446 5890 1 15 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.331 -0.124 25446 5891 1 15 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.774 0.022 25446 5892 1 15 . 1 1 79 79 ALA CB C 79 19.266 19.266 19.984 -0.718 25446 5893 1 15 . 1 1 79 79 ALA H H 79 7.647 7.647 7.277 0.370 25446 5894 1 15 . 1 1 80 80 THR N N 80 107.402 107.402 108.556 -1.154 25446 5895 1 15 . 1 1 80 80 THR HA H 80 4.454 4.454 4.398 0.056 25446 5896 1 15 . 1 1 80 80 THR CA C 80 61.337 61.337 60.879 0.458 25446 5897 1 15 . 1 1 80 80 THR CB C 80 70.703 70.703 71.087 -0.384 25446 5898 1 15 . 1 1 80 80 THR H H 80 7.469 7.469 7.923 -0.454 25446 5899 1 15 . 1 1 81 81 THR N N 81 119.746 119.746 116.296 3.450 25446 5900 1 15 . 1 1 81 81 THR HA H 81 4.668 4.668 4.696 -0.028 25446 5901 1 15 . 1 1 81 81 THR CA C 81 60.448 60.448 57.818 2.630 25446 5902 1 15 . 1 1 81 81 THR CB C 81 70.062 70.062 69.637 0.425 25446 5903 1 15 . 1 1 81 81 THR H H 81 7.684 7.684 8.103 -0.419 25446 5904 1 15 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.418 0.281 25446 5905 1 15 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.900 -0.290 25446 5906 1 15 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.460 0.544 25446 5907 1 15 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.403 0.070 25446 5908 1 15 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.837 -0.026 25446 5909 1 15 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.296 -0.215 25446 5910 1 15 . 1 1 84 84 VAL N N 84 120.611 120.611 116.261 4.350 25446 5911 1 15 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.399 -0.352 25446 5912 1 15 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.048 0.265 25446 5913 1 15 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.771 0.101 25446 5914 1 15 . 1 1 84 84 VAL H H 84 8.240 8.240 8.252 -0.012 25446 5915 1 15 . 1 1 85 85 GLU N N 85 125.076 125.076 126.345 -1.269 25446 5916 1 15 . 1 1 85 85 GLU H H 85 8.434 8.434 8.639 -0.205 25446 5917 1 15 . 1 1 86 86 ALA N N 86 126.280 126.280 123.946 2.334 25446 5918 1 15 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.145 0.143 25446 5919 1 15 . 1 1 86 86 ALA H H 86 8.340 8.340 8.585 -0.245 25446 5920 1 15 . 1 1 87 87 LYS N N 87 121.709 121.709 125.880 -4.171 25446 5921 1 15 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.382 0.822 25446 5922 1 15 . 1 1 87 87 LYS H H 87 8.334 8.334 8.730 -0.396 25446 5923 1 15 . 1 1 88 88 LEU N N 88 125.379 125.379 116.803 8.576 25446 5924 1 15 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.145 -4.145 25446 5925 1 15 . 1 1 88 88 LEU H H 88 8.435 8.435 8.020 0.415 25446 5926 1 16 . 1 1 2 2 GLN N N 2 123.771 123.771 123.240 0.531 25446 5927 1 16 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.367 -0.237 25446 5928 1 16 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.240 2.308 25446 5929 1 16 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.572 0.590 25446 5930 1 16 . 1 1 2 2 GLN H H 2 9.634 9.634 8.554 1.080 25446 5931 1 16 . 1 1 3 3 HIS N N 3 119.013 119.013 119.162 -0.149 25446 5932 1 16 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.064 1.120 25446 5933 1 16 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.001 -1.998 25446 5934 1 16 . 1 1 3 3 HIS CB C 3 31.088 31.088 28.495 2.592 25446 5935 1 16 . 1 1 3 3 HIS H H 3 9.946 9.946 9.069 0.877 25446 5936 1 16 . 1 1 4 4 ALA N N 4 122.550 122.550 120.417 2.133 25446 5937 1 16 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.055 -0.164 25446 5938 1 16 . 1 1 4 4 ALA CA C 4 56.560 56.560 54.969 1.591 25446 5939 1 16 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.694 0.098 25446 5940 1 16 . 1 1 4 4 ALA H H 4 7.524 7.524 8.104 -0.580 25446 5941 1 16 . 1 1 5 5 SER N N 5 112.310 112.310 113.006 -0.696 25446 5942 1 16 . 1 1 5 5 SER HA H 5 4.295 4.295 4.156 0.139 25446 5943 1 16 . 1 1 5 5 SER CA C 5 62.089 62.089 60.925 1.164 25446 5944 1 16 . 1 1 5 5 SER CB C 5 62.421 62.421 62.682 -0.261 25446 5945 1 16 . 1 1 5 5 SER H H 5 8.772 8.772 8.254 0.518 25446 5946 1 16 . 1 1 6 6 VAL N N 6 122.625 122.625 122.656 -0.031 25446 5947 1 16 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.795 0.316 25446 5948 1 16 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.340 -0.631 25446 5949 1 16 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.758 0.982 25446 5950 1 16 . 1 1 6 6 VAL H H 6 7.657 7.657 7.378 0.279 25446 5951 1 16 . 1 1 7 7 ILE N N 7 121.536 121.536 119.918 1.618 25446 5952 1 16 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.792 0.434 25446 5953 1 16 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.169 0.124 25446 5954 1 16 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.433 1.198 25446 5955 1 16 . 1 1 7 7 ILE H H 7 8.526 8.526 7.400 1.126 25446 5956 1 16 . 1 1 8 8 ALA N N 8 121.229 121.229 122.607 -1.378 25446 5957 1 16 . 1 1 8 8 ALA HA H 8 3.896 3.896 3.979 -0.083 25446 5958 1 16 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.579 0.663 25446 5959 1 16 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.352 0.379 25446 5960 1 16 . 1 1 8 8 ALA H H 8 8.946 8.946 7.767 1.179 25446 5961 1 16 . 1 1 9 9 GLN N N 9 114.998 114.998 119.165 -4.167 25446 5962 1 16 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.070 -0.197 25446 5963 1 16 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.210 0.749 25446 5964 1 16 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.278 -0.465 25446 5965 1 16 . 1 1 9 9 GLN H H 9 7.731 7.731 8.156 -0.425 25446 5966 1 16 . 1 1 10 10 PHE N N 10 120.075 120.075 121.952 -1.877 25446 5967 1 16 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.326 -0.248 25446 5968 1 16 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.311 -0.458 25446 5969 1 16 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.542 -0.719 25446 5970 1 16 . 1 1 10 10 PHE H H 10 7.299 7.299 8.691 -1.392 25446 5971 1 16 . 1 1 11 11 VAL N N 11 117.458 117.458 119.379 -1.921 25446 5972 1 16 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.785 -0.478 25446 5973 1 16 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.345 0.099 25446 5974 1 16 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.337 -0.648 25446 5975 1 16 . 1 1 11 11 VAL H H 11 8.363 8.363 8.716 -0.353 25446 5976 1 16 . 1 1 12 12 VAL N N 12 117.722 117.722 118.728 -1.006 25446 5977 1 16 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.728 1.019 25446 5978 1 16 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.915 0.004 25446 5979 1 16 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.168 0.099 25446 5980 1 16 . 1 1 12 12 VAL H H 12 8.289 8.289 8.073 0.216 25446 5981 1 16 . 1 1 13 13 GLU N N 13 117.827 117.827 119.533 -1.706 25446 5982 1 16 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.798 -0.056 25446 5983 1 16 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.139 0.054 25446 5984 1 16 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.103 0.391 25446 5985 1 16 . 1 1 13 13 GLU H H 13 7.758 7.758 7.776 -0.018 25446 5986 1 16 . 1 1 14 14 GLU N N 14 113.425 113.425 118.990 -5.565 25446 5987 1 16 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.042 -0.270 25446 5988 1 16 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.462 -1.855 25446 5989 1 16 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.055 -0.556 25446 5990 1 16 . 1 1 14 14 GLU H H 14 7.604 7.604 7.668 -0.064 25446 5991 1 16 . 1 1 15 15 PHE N N 15 114.097 114.097 114.542 -0.445 25446 5992 1 16 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.756 0.185 25446 5993 1 16 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.343 2.650 25446 5994 1 16 . 1 1 15 15 PHE CB C 15 41.992 41.992 38.914 3.078 25446 5995 1 16 . 1 1 15 15 PHE H H 15 7.916 7.916 7.409 0.507 25446 5996 1 16 . 1 1 16 16 LEU N N 16 121.405 121.405 121.488 -0.083 25446 5997 1 16 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.374 0.593 25446 5998 1 16 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.011 -0.694 25446 5999 1 16 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.528 3.207 25446 6000 1 16 . 1 1 16 16 LEU H H 16 8.046 8.046 7.327 0.719 25446 6001 1 16 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.474 -0.100 25446 6002 1 16 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.474 2.191 25446 6003 1 16 . 1 1 18 18 ASP N N 18 116.413 116.413 117.975 -1.562 25446 6004 1 16 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.466 0.118 25446 6005 1 16 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.206 0.384 25446 6006 1 16 . 1 1 18 18 ASP H H 18 8.415 8.415 8.465 -0.050 25446 6007 1 16 . 1 1 19 19 VAL N N 19 122.077 122.077 118.667 3.410 25446 6008 1 16 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.080 0.033 25446 6009 1 16 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.582 0.765 25446 6010 1 16 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.911 -0.524 25446 6011 1 16 . 1 1 19 19 VAL H H 19 7.771 7.771 7.275 0.496 25446 6012 1 16 . 1 1 20 20 ALA N N 20 129.197 129.197 130.096 -0.899 25446 6013 1 16 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.529 0.059 25446 6014 1 16 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.113 0.115 25446 6015 1 16 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.307 -0.884 25446 6016 1 16 . 1 1 20 20 ALA H H 20 8.765 8.765 8.430 0.335 25446 6017 1 16 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.074 -0.000 25446 6018 1 16 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.638 0.503 25446 6019 1 16 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.675 -0.338 25446 6020 1 16 . 1 1 22 22 ALA N N 22 115.949 115.949 117.209 -1.260 25446 6021 1 16 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.171 -0.054 25446 6022 1 16 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.105 -0.322 25446 6023 1 16 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.434 0.318 25446 6024 1 16 . 1 1 22 22 ALA H H 22 8.074 8.074 8.016 0.058 25446 6025 1 16 . 1 1 23 23 ASP N N 23 115.451 115.451 117.352 -1.901 25446 6026 1 16 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.766 -0.114 25446 6027 1 16 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.095 0.349 25446 6028 1 16 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.292 -0.152 25446 6029 1 16 . 1 1 23 23 ASP H H 23 8.023 8.023 8.382 -0.359 25446 6030 1 16 . 1 1 24 24 VAL N N 24 121.382 121.382 120.937 0.445 25446 6031 1 16 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.133 -0.305 25446 6032 1 16 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.880 1.431 25446 6033 1 16 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.392 -1.528 25446 6034 1 16 . 1 1 24 24 VAL H H 24 7.072 7.072 7.459 -0.387 25446 6035 1 16 . 1 1 25 25 ASP N N 25 129.258 129.258 127.110 2.148 25446 6036 1 16 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.592 -0.020 25446 6037 1 16 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.376 0.095 25446 6038 1 16 . 1 1 25 25 ASP H H 25 8.499 8.499 8.813 -0.314 25446 6039 1 16 . 1 1 26 26 VAL N N 26 121.736 121.736 120.483 1.253 25446 6040 1 16 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.860 0.248 25446 6041 1 16 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.665 0.811 25446 6042 1 16 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.774 -0.557 25446 6043 1 16 . 1 1 26 26 VAL H H 26 8.566 8.566 7.963 0.603 25446 6044 1 16 . 1 1 27 27 ASP N N 27 116.233 116.233 117.496 -1.263 25446 6045 1 16 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.662 0.492 25446 6046 1 16 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.259 -0.136 25446 6047 1 16 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.408 2.184 25446 6048 1 16 . 1 1 27 27 ASP H H 27 8.638 8.638 7.887 0.751 25446 6049 1 16 . 1 1 28 28 LEU N N 28 125.046 125.046 122.713 2.333 25446 6050 1 16 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.473 -0.447 25446 6051 1 16 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.872 0.995 25446 6052 1 16 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.588 -0.180 25446 6053 1 16 . 1 1 28 28 LEU H H 28 7.389 7.389 7.507 -0.118 25446 6054 1 16 . 1 1 29 29 ASP N N 29 125.807 125.807 125.727 0.080 25446 6055 1 16 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.755 0.076 25446 6056 1 16 . 1 1 29 29 ASP H H 29 8.731 8.731 8.665 0.066 25446 6057 1 16 . 1 1 30 30 LEU N N 30 130.007 130.007 121.433 8.574 25446 6058 1 16 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.517 -0.619 25446 6059 1 16 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.170 0.249 25446 6060 1 16 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.544 0.579 25446 6061 1 16 . 1 1 30 30 LEU H H 30 9.744 9.744 8.507 1.237 25446 6062 1 16 . 1 1 31 31 VAL N N 31 121.093 121.093 122.031 -0.938 25446 6063 1 16 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.610 0.616 25446 6064 1 16 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.816 -1.425 25446 6065 1 16 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.595 0.586 25446 6066 1 16 . 1 1 31 31 VAL H H 31 8.166 8.166 7.939 0.227 25446 6067 1 16 . 1 1 32 32 ASP N N 32 124.657 124.657 119.762 4.895 25446 6068 1 16 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.350 0.014 25446 6069 1 16 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.957 0.162 25446 6070 1 16 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.008 0.752 25446 6071 1 16 . 1 1 32 32 ASP H H 32 9.365 9.365 8.076 1.289 25446 6072 1 16 . 1 1 33 33 ASN N N 33 111.260 111.260 117.625 -6.365 25446 6073 1 16 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.458 0.282 25446 6074 1 16 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.549 1.263 25446 6075 1 16 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.295 1.811 25446 6076 1 16 . 1 1 33 33 ASN H H 33 7.423 7.423 7.846 -0.423 25446 6077 1 16 . 1 1 34 34 GLY N N 34 106.935 106.935 109.218 -2.283 25446 6078 1 16 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.942 -0.318 25446 6079 1 16 . 1 1 34 34 GLY H H 34 7.648 7.648 8.572 -0.924 25446 6080 1 16 . 1 1 35 35 VAL N N 35 120.307 120.307 122.629 -2.322 25446 6081 1 16 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.452 0.328 25446 6082 1 16 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.764 -0.739 25446 6083 1 16 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.746 0.043 25446 6084 1 16 . 1 1 35 35 VAL H H 35 7.838 7.838 7.287 0.551 25446 6085 1 16 . 1 1 36 36 ILE N N 36 116.154 116.154 118.466 -2.312 25446 6086 1 16 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.720 0.039 25446 6087 1 16 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.900 -3.324 25446 6088 1 16 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.700 1.525 25446 6089 1 16 . 1 1 36 36 ILE H H 36 7.337 7.337 8.469 -1.132 25446 6090 1 16 . 1 1 37 37 ASP N N 37 126.730 126.730 119.191 7.539 25446 6091 1 16 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.767 0.962 25446 6092 1 16 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.494 -4.857 25446 6093 1 16 . 1 1 37 37 ASP CB C 37 41.251 41.251 39.835 1.416 25446 6094 1 16 . 1 1 37 37 ASP H H 37 7.921 7.921 8.055 -0.134 25446 6095 1 16 . 1 1 38 38 SER N N 38 113.176 113.176 113.817 -0.641 25446 6096 1 16 . 1 1 38 38 SER HA H 38 4.122 4.122 4.707 -0.585 25446 6097 1 16 . 1 1 38 38 SER CA C 38 61.062 61.062 59.879 1.183 25446 6098 1 16 . 1 1 39 39 LEU N N 39 122.521 122.521 122.576 -0.055 25446 6099 1 16 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.117 0.156 25446 6100 1 16 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.309 -0.939 25446 6101 1 16 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.961 -0.702 25446 6102 1 16 . 1 1 39 39 LEU H H 39 7.675 7.675 7.704 -0.029 25446 6103 1 16 . 1 1 40 40 GLY N N 40 111.971 111.971 106.677 5.294 25446 6104 1 16 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.911 1.209 25446 6105 1 16 . 1 1 40 40 GLY H H 40 8.776 8.776 7.529 1.247 25446 6106 1 16 . 1 1 41 41 LEU N N 41 122.579 122.579 123.604 -1.025 25446 6107 1 16 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.171 -0.326 25446 6108 1 16 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.866 0.399 25446 6109 1 16 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.071 -0.492 25446 6110 1 16 . 1 1 41 41 LEU H H 41 8.551 8.551 8.540 0.011 25446 6111 1 16 . 1 1 42 42 LEU N N 42 116.126 116.126 119.315 -3.189 25446 6112 1 16 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.933 0.076 25446 6113 1 16 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.554 -0.453 25446 6114 1 16 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.722 -0.775 25446 6115 1 16 . 1 1 42 42 LEU H H 42 7.213 7.213 7.840 -0.627 25446 6116 1 16 . 1 1 43 43 LYS N N 43 119.793 119.793 119.069 0.724 25446 6117 1 16 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.060 0.222 25446 6118 1 16 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.929 -0.359 25446 6119 1 16 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.374 0.163 25446 6120 1 16 . 1 1 43 43 LYS H H 43 7.664 7.664 7.426 0.238 25446 6121 1 16 . 1 1 44 44 VAL N N 44 121.147 121.147 121.197 -0.050 25446 6122 1 16 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.001 -0.064 25446 6123 1 16 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.548 -0.730 25446 6124 1 16 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.974 -0.415 25446 6125 1 16 . 1 1 44 44 VAL H H 44 8.278 8.278 8.422 -0.144 25446 6126 1 16 . 1 1 45 45 ILE N N 45 119.222 119.222 120.269 -1.047 25446 6127 1 16 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.760 -0.355 25446 6128 1 16 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.295 1.766 25446 6129 1 16 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.227 1.012 25446 6130 1 16 . 1 1 45 45 ILE H H 45 8.127 8.127 8.145 -0.018 25446 6131 1 16 . 1 1 46 46 ALA N N 46 121.011 121.011 123.167 -2.156 25446 6132 1 16 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.174 0.058 25446 6133 1 16 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.991 -0.031 25446 6134 1 16 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.620 -0.280 25446 6135 1 16 . 1 1 46 46 ALA H H 46 7.811 7.811 7.720 0.091 25446 6136 1 16 . 1 1 47 47 TRP N N 47 121.158 121.158 121.008 0.150 25446 6137 1 16 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.433 -0.198 25446 6138 1 16 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.477 1.357 25446 6139 1 16 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.856 -1.636 25446 6140 1 16 . 1 1 47 47 TRP H H 47 8.094 8.094 8.508 -0.414 25446 6141 1 16 . 1 1 48 48 LEU N N 48 118.890 118.890 121.718 -2.828 25446 6142 1 16 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.999 0.574 25446 6143 1 16 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.616 -0.424 25446 6144 1 16 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.684 0.570 25446 6145 1 16 . 1 1 48 48 LEU H H 48 8.704 8.704 9.112 -0.408 25446 6146 1 16 . 1 1 49 49 GLU N N 49 118.917 118.917 119.436 -0.519 25446 6147 1 16 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.143 -0.097 25446 6148 1 16 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.295 0.413 25446 6149 1 16 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.401 0.215 25446 6150 1 16 . 1 1 49 49 GLU H H 49 7.808 7.808 8.056 -0.248 25446 6151 1 16 . 1 1 50 50 ASP N N 50 119.614 119.614 119.535 0.079 25446 6152 1 16 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.410 -0.170 25446 6153 1 16 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.348 0.661 25446 6154 1 16 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.883 1.494 25446 6155 1 16 . 1 1 50 50 ASP H H 50 7.677 7.677 7.480 0.197 25446 6156 1 16 . 1 1 51 51 ARG N N 51 116.918 116.918 118.115 -1.197 25446 6157 1 16 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.911 -0.186 25446 6158 1 16 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.352 -2.064 25446 6159 1 16 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.280 -0.996 25446 6160 1 16 . 1 1 51 51 ARG H H 51 8.876 8.876 7.709 1.167 25446 6161 1 16 . 1 1 52 52 PHE N N 52 112.278 112.278 114.177 -1.899 25446 6162 1 16 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.513 0.144 25446 6163 1 16 . 1 1 52 52 PHE CA C 52 57.050 57.050 57.892 -0.842 25446 6164 1 16 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.914 0.838 25446 6165 1 16 . 1 1 52 52 PHE H H 52 7.330 7.330 7.786 -0.456 25446 6166 1 16 . 1 1 53 53 GLY N N 53 109.717 109.717 109.062 0.655 25446 6167 1 16 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.432 1.214 25446 6168 1 16 . 1 1 53 53 GLY H H 53 7.411 7.411 8.129 -0.718 25446 6169 1 16 . 1 1 54 54 ILE N N 54 119.148 119.148 120.252 -1.104 25446 6170 1 16 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.169 -0.226 25446 6171 1 16 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.059 0.541 25446 6172 1 16 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.333 0.176 25446 6173 1 16 . 1 1 54 54 ILE H H 54 6.901 6.901 7.202 -0.301 25446 6174 1 16 . 1 1 55 55 ALA N N 55 129.774 129.774 129.738 0.036 25446 6175 1 16 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.240 0.162 25446 6176 1 16 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.547 -0.899 25446 6177 1 16 . 1 1 55 55 ALA H H 55 8.538 8.538 8.527 0.011 25446 6178 1 16 . 1 1 56 56 ALA N N 56 126.034 126.034 124.669 1.365 25446 6179 1 16 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.100 0.173 25446 6180 1 16 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.723 -0.111 25446 6181 1 16 . 1 1 56 56 ALA CB C 56 19.122 19.122 19.012 0.110 25446 6182 1 16 . 1 1 56 56 ALA H H 56 8.620 8.620 8.612 0.008 25446 6183 1 16 . 1 1 57 57 ASP N N 57 115.649 115.649 113.526 2.123 25446 6184 1 16 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.357 0.119 25446 6185 1 16 . 1 1 57 57 ASP CA C 57 55.170 55.170 55.622 -0.452 25446 6186 1 16 . 1 1 57 57 ASP H H 57 8.321 8.321 8.438 -0.117 25446 6187 1 16 . 1 1 58 58 ASP N N 58 118.298 118.298 116.200 2.098 25446 6188 1 16 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.299 0.369 25446 6189 1 16 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.857 -0.055 25446 6190 1 16 . 1 1 58 58 ASP H H 58 7.971 7.971 8.330 -0.359 25446 6191 1 16 . 1 1 59 59 VAL N N 59 118.443 118.443 114.346 4.097 25446 6192 1 16 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.451 -0.242 25446 6193 1 16 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.261 0.808 25446 6194 1 16 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.004 0.326 25446 6195 1 16 . 1 1 59 59 VAL H H 59 7.700 7.700 7.482 0.218 25446 6196 1 16 . 1 1 60 60 GLU N N 60 122.777 122.777 125.091 -2.314 25446 6197 1 16 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.548 -0.265 25446 6198 1 16 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.623 0.695 25446 6199 1 16 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.011 -1.134 25446 6200 1 16 . 1 1 60 60 GLU H H 60 8.416 8.416 8.391 0.025 25446 6201 1 16 . 1 1 61 61 LEU N N 61 124.910 124.910 124.135 0.775 25446 6202 1 16 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.475 -0.118 25446 6203 1 16 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.532 1.630 25446 6204 1 16 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.568 -0.723 25446 6205 1 16 . 1 1 61 61 LEU H H 61 8.249 8.249 8.463 -0.214 25446 6206 1 16 . 1 1 62 62 SER N N 62 118.228 118.228 118.860 -0.632 25446 6207 1 16 . 1 1 62 62 SER HA H 62 4.816 4.816 4.782 0.034 25446 6208 1 16 . 1 1 62 62 SER CB C 62 63.963 63.963 64.082 -0.119 25446 6209 1 16 . 1 1 62 62 SER H H 62 8.025 8.025 8.356 -0.331 25446 6210 1 16 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.531 -0.277 25446 6211 1 16 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.121 -0.227 25446 6212 1 16 . 1 1 64 64 GLU N N 64 116.457 116.457 117.437 -0.980 25446 6213 1 16 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.085 -0.218 25446 6214 1 16 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.608 0.138 25446 6215 1 16 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.635 0.072 25446 6216 1 16 . 1 1 64 64 GLU H H 64 8.310 8.310 8.318 -0.008 25446 6217 1 16 . 1 1 65 65 HIS N N 65 114.998 114.998 119.380 -4.382 25446 6218 1 16 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.235 0.062 25446 6219 1 16 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.871 -1.506 25446 6220 1 16 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.682 -0.075 25446 6221 1 16 . 1 1 65 65 HIS H H 65 7.324 7.324 7.927 -0.603 25446 6222 1 16 . 1 1 66 66 PHE N N 66 115.965 115.965 115.065 0.900 25446 6223 1 16 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.554 0.228 25446 6224 1 16 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.209 -2.543 25446 6225 1 16 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.489 0.495 25446 6226 1 16 . 1 1 66 66 PHE H H 66 7.245 7.245 7.619 -0.374 25446 6227 1 16 . 1 1 67 67 ARG N N 67 112.179 112.179 120.042 -7.863 25446 6228 1 16 . 1 1 67 67 ARG HA H 67 4.084 4.084 3.993 0.091 25446 6229 1 16 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.142 0.149 25446 6230 1 16 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.814 0.824 25446 6231 1 16 . 1 1 67 67 ARG H H 67 6.632 6.632 7.575 -0.943 25446 6232 1 16 . 1 1 68 68 SER N N 68 109.181 109.181 107.206 1.975 25446 6233 1 16 . 1 1 68 68 SER HA H 68 4.985 4.985 4.645 0.340 25446 6234 1 16 . 1 1 68 68 SER CA C 68 55.664 55.664 56.279 -0.615 25446 6235 1 16 . 1 1 68 68 SER CB C 68 67.608 67.608 64.535 3.073 25446 6236 1 16 . 1 1 68 68 SER H H 68 8.139 8.139 7.396 0.743 25446 6237 1 16 . 1 1 69 69 ILE N N 69 122.526 122.526 125.121 -2.595 25446 6238 1 16 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.735 -0.053 25446 6239 1 16 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.291 1.447 25446 6240 1 16 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.993 -1.005 25446 6241 1 16 . 1 1 69 69 ILE H H 69 9.770 9.770 9.028 0.742 25446 6242 1 16 . 1 1 70 70 ARG N N 70 118.671 118.671 119.129 -0.458 25446 6243 1 16 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.983 -0.015 25446 6244 1 16 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.730 0.599 25446 6245 1 16 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.782 0.518 25446 6246 1 16 . 1 1 70 70 ARG H H 70 8.860 8.860 7.684 1.176 25446 6247 1 16 . 1 1 71 71 SER N N 71 117.722 117.722 115.563 2.159 25446 6248 1 16 . 1 1 71 71 SER HA H 71 4.346 4.346 4.152 0.194 25446 6249 1 16 . 1 1 71 71 SER CB C 71 62.962 62.962 62.131 0.831 25446 6250 1 16 . 1 1 71 71 SER H H 71 8.534 8.534 7.577 0.957 25446 6251 1 16 . 1 1 72 72 ILE N N 72 127.380 127.380 122.413 4.967 25446 6252 1 16 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.625 0.300 25446 6253 1 16 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.454 2.291 25446 6254 1 16 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.573 -0.212 25446 6255 1 16 . 1 1 72 72 ILE H H 72 8.789 8.789 7.030 1.759 25446 6256 1 16 . 1 1 73 73 ASP N N 73 121.443 121.443 120.444 0.999 25446 6257 1 16 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.297 -0.285 25446 6258 1 16 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.355 1.745 25446 6259 1 16 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.494 3.186 25446 6260 1 16 . 1 1 73 73 ASP H H 73 8.699 8.699 7.712 0.987 25446 6261 1 16 . 1 1 74 74 ALA N N 74 118.799 118.799 122.004 -3.205 25446 6262 1 16 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.067 -0.028 25446 6263 1 16 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.145 0.090 25446 6264 1 16 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.235 -0.286 25446 6265 1 16 . 1 1 74 74 ALA H H 74 8.042 8.042 7.537 0.505 25446 6266 1 16 . 1 1 75 75 PHE N N 75 121.125 121.125 119.516 1.609 25446 6267 1 16 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.185 -0.140 25446 6268 1 16 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.640 -0.689 25446 6269 1 16 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.635 -0.764 25446 6270 1 16 . 1 1 75 75 PHE H H 75 8.369 8.369 7.741 0.628 25446 6271 1 16 . 1 1 76 76 VAL N N 76 120.715 120.715 119.528 1.187 25446 6272 1 16 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.463 -0.513 25446 6273 1 16 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.280 -0.451 25446 6274 1 16 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.890 -0.663 25446 6275 1 16 . 1 1 76 76 VAL H H 76 8.555 8.555 8.812 -0.257 25446 6276 1 16 . 1 1 77 77 VAL N N 77 121.286 121.286 119.395 1.891 25446 6277 1 16 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.806 -0.313 25446 6278 1 16 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.775 1.003 25446 6279 1 16 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.703 0.163 25446 6280 1 16 . 1 1 77 77 VAL H H 77 8.770 8.770 8.532 0.238 25446 6281 1 16 . 1 1 78 78 GLY N N 78 106.349 106.349 105.966 0.383 25446 6282 1 16 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.631 0.001 25446 6283 1 16 . 1 1 78 78 GLY H H 78 7.976 7.976 7.799 0.177 25446 6284 1 16 . 1 1 79 79 ALA N N 79 120.998 120.998 121.662 -0.664 25446 6285 1 16 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.369 -0.162 25446 6286 1 16 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.853 -0.057 25446 6287 1 16 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.183 -0.917 25446 6288 1 16 . 1 1 79 79 ALA H H 79 7.647 7.647 7.208 0.439 25446 6289 1 16 . 1 1 80 80 THR N N 80 107.402 107.402 110.549 -3.147 25446 6290 1 16 . 1 1 80 80 THR HA H 80 4.454 4.454 4.476 -0.022 25446 6291 1 16 . 1 1 80 80 THR CA C 80 61.337 61.337 61.661 -0.324 25446 6292 1 16 . 1 1 80 80 THR CB C 80 70.703 70.703 70.467 0.236 25446 6293 1 16 . 1 1 80 80 THR H H 80 7.469 7.469 8.182 -0.713 25446 6294 1 16 . 1 1 81 81 THR N N 81 119.746 119.746 119.492 0.254 25446 6295 1 16 . 1 1 81 81 THR HA H 81 4.668 4.668 4.900 -0.232 25446 6296 1 16 . 1 1 81 81 THR CA C 81 60.448 60.448 59.347 1.101 25446 6297 1 16 . 1 1 81 81 THR CB C 81 70.062 70.062 69.174 0.888 25446 6298 1 16 . 1 1 81 81 THR H H 81 7.684 7.684 8.514 -0.830 25446 6299 1 16 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.807 -0.108 25446 6300 1 16 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.641 0.969 25446 6301 1 16 . 1 1 82 82 PRO CB C 82 31.004 31.004 32.085 -1.081 25446 6302 1 16 . 1 1 83 83 PRO HA H 83 4.473 4.473 3.625 0.848 25446 6303 1 16 . 1 1 83 83 PRO CA C 83 62.811 62.811 61.870 0.941 25446 6304 1 16 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.552 -0.471 25446 6305 1 16 . 1 1 84 84 VAL N N 84 120.611 120.611 121.763 -1.152 25446 6306 1 16 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.305 -0.258 25446 6307 1 16 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.372 1.941 25446 6308 1 16 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.987 -2.115 25446 6309 1 16 . 1 1 84 84 VAL H H 84 8.240 8.240 7.995 0.245 25446 6310 1 16 . 1 1 85 85 GLU N N 85 125.076 125.076 126.794 -1.718 25446 6311 1 16 . 1 1 85 85 GLU H H 85 8.434 8.434 8.617 -0.182 25446 6312 1 16 . 1 1 86 86 ALA N N 86 126.280 126.280 120.215 6.065 25446 6313 1 16 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.407 0.881 25446 6314 1 16 . 1 1 86 86 ALA H H 86 8.340 8.340 7.412 0.928 25446 6315 1 16 . 1 1 87 87 LYS N N 87 121.709 121.709 119.473 2.236 25446 6316 1 16 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.850 0.354 25446 6317 1 16 . 1 1 87 87 LYS H H 87 8.334 8.334 8.334 -0.000 25446 6318 1 16 . 1 1 88 88 LEU N N 88 125.379 125.379 119.558 5.821 25446 6319 1 16 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.563 -4.563 25446 6320 1 16 . 1 1 88 88 LEU H H 88 8.435 8.435 7.641 0.794 25446 6321 1 17 . 1 1 2 2 GLN N N 2 123.771 123.771 118.989 4.782 25446 6322 1 17 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.928 0.202 25446 6323 1 17 . 1 1 2 2 GLN CA C 2 57.549 57.549 58.030 -0.481 25446 6324 1 17 . 1 1 2 2 GLN CB C 2 30.162 30.162 28.567 1.595 25446 6325 1 17 . 1 1 2 2 GLN H H 2 9.634 9.634 8.677 0.957 25446 6326 1 17 . 1 1 3 3 HIS N N 3 119.013 119.013 114.391 4.622 25446 6327 1 17 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.838 0.346 25446 6328 1 17 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.379 -0.376 25446 6329 1 17 . 1 1 3 3 HIS CB C 3 31.088 31.088 30.782 0.306 25446 6330 1 17 . 1 1 3 3 HIS H H 3 9.946 9.946 8.351 1.595 25446 6331 1 17 . 1 1 4 4 ALA N N 4 122.550 122.550 124.041 -1.491 25446 6332 1 17 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.098 -0.207 25446 6333 1 17 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.585 0.975 25446 6334 1 17 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.183 0.609 25446 6335 1 17 . 1 1 4 4 ALA H H 4 7.524 7.524 8.219 -0.695 25446 6336 1 17 . 1 1 5 5 SER N N 5 112.310 112.310 114.101 -1.791 25446 6337 1 17 . 1 1 5 5 SER HA H 5 4.295 4.295 4.102 0.193 25446 6338 1 17 . 1 1 5 5 SER CA C 5 62.089 62.089 62.125 -0.036 25446 6339 1 17 . 1 1 5 5 SER CB C 5 62.421 62.421 62.837 -0.416 25446 6340 1 17 . 1 1 5 5 SER H H 5 8.772 8.772 8.309 0.463 25446 6341 1 17 . 1 1 6 6 VAL N N 6 122.625 122.625 123.139 -0.514 25446 6342 1 17 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.931 0.180 25446 6343 1 17 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.231 0.477 25446 6344 1 17 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.442 1.298 25446 6345 1 17 . 1 1 6 6 VAL H H 6 7.657 7.657 7.501 0.156 25446 6346 1 17 . 1 1 7 7 ILE N N 7 121.536 121.536 121.184 0.352 25446 6347 1 17 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.671 0.555 25446 6348 1 17 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.864 -0.571 25446 6349 1 17 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.309 1.322 25446 6350 1 17 . 1 1 7 7 ILE H H 7 8.526 8.526 7.915 0.611 25446 6351 1 17 . 1 1 8 8 ALA N N 8 121.229 121.229 121.433 -0.204 25446 6352 1 17 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.010 -0.114 25446 6353 1 17 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.517 0.725 25446 6354 1 17 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.025 0.706 25446 6355 1 17 . 1 1 8 8 ALA H H 8 8.946 8.946 8.105 0.841 25446 6356 1 17 . 1 1 9 9 GLN N N 9 114.998 114.998 119.401 -4.403 25446 6357 1 17 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.059 -0.186 25446 6358 1 17 . 1 1 9 9 GLN CA C 9 58.959 58.959 59.072 -0.113 25446 6359 1 17 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.820 -1.007 25446 6360 1 17 . 1 1 9 9 GLN H H 9 7.731 7.731 8.118 -0.387 25446 6361 1 17 . 1 1 10 10 PHE N N 10 120.075 120.075 120.725 -0.650 25446 6362 1 17 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.121 -0.043 25446 6363 1 17 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.523 -0.670 25446 6364 1 17 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.466 -0.643 25446 6365 1 17 . 1 1 10 10 PHE H H 10 7.299 7.299 8.673 -1.374 25446 6366 1 17 . 1 1 11 11 VAL N N 11 117.458 117.458 116.821 0.637 25446 6367 1 17 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.730 -0.423 25446 6368 1 17 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.730 0.714 25446 6369 1 17 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.016 -0.328 25446 6370 1 17 . 1 1 11 11 VAL H H 11 8.363 8.363 8.476 -0.113 25446 6371 1 17 . 1 1 12 12 VAL N N 12 117.722 117.722 120.817 -3.095 25446 6372 1 17 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.813 -0.066 25446 6373 1 17 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.771 -0.852 25446 6374 1 17 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.132 0.135 25446 6375 1 17 . 1 1 12 12 VAL H H 12 8.289 8.289 8.550 -0.261 25446 6376 1 17 . 1 1 13 13 GLU N N 13 117.827 117.827 118.474 -0.647 25446 6377 1 17 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.887 -0.145 25446 6378 1 17 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.052 0.141 25446 6379 1 17 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.393 0.101 25446 6380 1 17 . 1 1 13 13 GLU H H 13 7.758 7.758 7.839 -0.081 25446 6381 1 17 . 1 1 14 14 GLU N N 14 113.425 113.425 117.381 -3.956 25446 6382 1 17 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.822 -0.050 25446 6383 1 17 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.106 -1.499 25446 6384 1 17 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.333 0.166 25446 6385 1 17 . 1 1 14 14 GLU H H 14 7.604 7.604 7.347 0.257 25446 6386 1 17 . 1 1 15 15 PHE N N 15 114.097 114.097 115.730 -1.633 25446 6387 1 17 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.493 0.448 25446 6388 1 17 . 1 1 15 15 PHE CA C 15 57.993 57.993 60.337 -2.344 25446 6389 1 17 . 1 1 15 15 PHE CB C 15 41.992 41.992 40.246 1.746 25446 6390 1 17 . 1 1 15 15 PHE H H 15 7.916 7.916 7.204 0.712 25446 6391 1 17 . 1 1 16 16 LEU N N 16 121.405 121.405 120.438 0.967 25446 6392 1 17 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.776 0.191 25446 6393 1 17 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.047 0.270 25446 6394 1 17 . 1 1 16 16 LEU CB C 16 44.735 44.735 43.799 0.936 25446 6395 1 17 . 1 1 16 16 LEU H H 16 8.046 8.046 8.276 -0.230 25446 6396 1 17 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.506 -0.132 25446 6397 1 17 . 1 1 17 17 PRO CA C 17 64.665 64.665 63.206 1.459 25446 6398 1 17 . 1 1 18 18 ASP N N 18 116.413 116.413 118.494 -2.081 25446 6399 1 17 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.596 -0.012 25446 6400 1 17 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.493 0.097 25446 6401 1 17 . 1 1 18 18 ASP H H 18 8.415 8.415 8.749 -0.334 25446 6402 1 17 . 1 1 19 19 VAL N N 19 122.077 122.077 119.614 2.463 25446 6403 1 17 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.110 0.003 25446 6404 1 17 . 1 1 19 19 VAL CA C 19 61.347 61.347 61.189 0.158 25446 6405 1 17 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.943 -1.556 25446 6406 1 17 . 1 1 19 19 VAL H H 19 7.771 7.771 7.098 0.673 25446 6407 1 17 . 1 1 20 20 ALA N N 20 129.197 129.197 128.145 1.052 25446 6408 1 17 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.407 0.181 25446 6409 1 17 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.805 -0.577 25446 6410 1 17 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.117 -0.694 25446 6411 1 17 . 1 1 20 20 ALA H H 20 8.765 8.765 8.583 0.182 25446 6412 1 17 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.263 -0.189 25446 6413 1 17 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.052 1.089 25446 6414 1 17 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.948 -0.610 25446 6415 1 17 . 1 1 22 22 ALA N N 22 115.949 115.949 119.015 -3.066 25446 6416 1 17 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.207 -0.090 25446 6417 1 17 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.792 -0.009 25446 6418 1 17 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.384 0.368 25446 6419 1 17 . 1 1 22 22 ALA H H 22 8.074 8.074 8.004 0.070 25446 6420 1 17 . 1 1 23 23 ASP N N 23 115.451 115.451 117.035 -1.584 25446 6421 1 17 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.618 0.034 25446 6422 1 17 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.115 1.329 25446 6423 1 17 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.404 0.737 25446 6424 1 17 . 1 1 23 23 ASP H H 23 8.023 8.023 7.848 0.175 25446 6425 1 17 . 1 1 24 24 VAL N N 24 121.382 121.382 121.393 -0.011 25446 6426 1 17 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.116 -0.288 25446 6427 1 17 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.347 0.964 25446 6428 1 17 . 1 1 24 24 VAL CB C 24 31.864 31.864 32.857 -0.993 25446 6429 1 17 . 1 1 24 24 VAL H H 24 7.072 7.072 7.383 -0.311 25446 6430 1 17 . 1 1 25 25 ASP N N 25 129.258 129.258 128.176 1.082 25446 6431 1 17 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.597 -0.025 25446 6432 1 17 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.449 0.021 25446 6433 1 17 . 1 1 25 25 ASP H H 25 8.499 8.499 8.897 -0.398 25446 6434 1 17 . 1 1 26 26 VAL N N 26 121.736 121.736 118.120 3.616 25446 6435 1 17 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.893 0.215 25446 6436 1 17 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.896 0.580 25446 6437 1 17 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.517 -0.300 25446 6438 1 17 . 1 1 26 26 VAL H H 26 8.566 8.566 8.251 0.315 25446 6439 1 17 . 1 1 27 27 ASP N N 27 116.233 116.233 117.960 -1.727 25446 6440 1 17 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.690 0.464 25446 6441 1 17 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.304 -0.181 25446 6442 1 17 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.567 2.025 25446 6443 1 17 . 1 1 27 27 ASP H H 27 8.638 8.638 7.885 0.753 25446 6444 1 17 . 1 1 28 28 LEU N N 28 125.046 125.046 122.698 2.348 25446 6445 1 17 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.512 -0.486 25446 6446 1 17 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.655 1.212 25446 6447 1 17 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.815 -0.407 25446 6448 1 17 . 1 1 28 28 LEU H H 28 7.389 7.389 7.638 -0.249 25446 6449 1 17 . 1 1 29 29 ASP N N 29 125.807 125.807 124.875 0.932 25446 6450 1 17 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.693 0.138 25446 6451 1 17 . 1 1 29 29 ASP H H 29 8.731 8.731 8.632 0.099 25446 6452 1 17 . 1 1 30 30 LEU N N 30 130.007 130.007 121.738 8.269 25446 6453 1 17 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.511 -0.613 25446 6454 1 17 . 1 1 30 30 LEU CA C 30 56.419 56.419 55.983 0.436 25446 6455 1 17 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.202 0.921 25446 6456 1 17 . 1 1 30 30 LEU H H 30 9.744 9.744 8.426 1.318 25446 6457 1 17 . 1 1 31 31 VAL N N 31 121.093 121.093 122.440 -1.347 25446 6458 1 17 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.612 0.614 25446 6459 1 17 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.769 -1.378 25446 6460 1 17 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.652 0.529 25446 6461 1 17 . 1 1 31 31 VAL H H 31 8.166 8.166 7.881 0.285 25446 6462 1 17 . 1 1 32 32 ASP N N 32 124.657 124.657 119.514 5.143 25446 6463 1 17 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.334 0.030 25446 6464 1 17 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.721 0.398 25446 6465 1 17 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.651 1.109 25446 6466 1 17 . 1 1 32 32 ASP H H 32 9.365 9.365 8.057 1.308 25446 6467 1 17 . 1 1 33 33 ASN N N 33 111.260 111.260 118.284 -7.024 25446 6468 1 17 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.610 0.130 25446 6469 1 17 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.658 1.154 25446 6470 1 17 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.835 1.271 25446 6471 1 17 . 1 1 33 33 ASN H H 33 7.423 7.423 8.035 -0.612 25446 6472 1 17 . 1 1 34 34 GLY N N 34 106.935 106.935 109.677 -2.742 25446 6473 1 17 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.095 -0.471 25446 6474 1 17 . 1 1 34 34 GLY H H 34 7.648 7.648 8.426 -0.778 25446 6475 1 17 . 1 1 35 35 VAL N N 35 120.307 120.307 122.467 -2.160 25446 6476 1 17 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.619 0.161 25446 6477 1 17 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.876 0.149 25446 6478 1 17 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.355 0.433 25446 6479 1 17 . 1 1 35 35 VAL H H 35 7.838 7.838 7.448 0.390 25446 6480 1 17 . 1 1 36 36 ILE N N 36 116.154 116.154 119.052 -2.898 25446 6481 1 17 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.915 -0.156 25446 6482 1 17 . 1 1 36 36 ILE CA C 36 60.576 60.576 64.158 -3.582 25446 6483 1 17 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.690 1.535 25446 6484 1 17 . 1 1 36 36 ILE H H 36 7.337 7.337 8.510 -1.173 25446 6485 1 17 . 1 1 37 37 ASP N N 37 126.730 126.730 120.446 6.284 25446 6486 1 17 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.719 1.010 25446 6487 1 17 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.750 -5.113 25446 6488 1 17 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.482 0.769 25446 6489 1 17 . 1 1 37 37 ASP H H 37 7.921 7.921 8.223 -0.302 25446 6490 1 17 . 1 1 38 38 SER N N 38 113.176 113.176 114.278 -1.102 25446 6491 1 17 . 1 1 38 38 SER HA H 38 4.122 4.122 4.518 -0.396 25446 6492 1 17 . 1 1 38 38 SER CA C 38 61.062 61.062 59.654 1.409 25446 6493 1 17 . 1 1 39 39 LEU N N 39 122.521 122.521 123.670 -1.149 25446 6494 1 17 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.171 0.102 25446 6495 1 17 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.095 -0.725 25446 6496 1 17 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.048 -0.790 25446 6497 1 17 . 1 1 39 39 LEU H H 39 7.675 7.675 7.658 0.017 25446 6498 1 17 . 1 1 40 40 GLY N N 40 111.971 111.971 106.675 5.296 25446 6499 1 17 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.966 1.154 25446 6500 1 17 . 1 1 40 40 GLY H H 40 8.776 8.776 7.654 1.122 25446 6501 1 17 . 1 1 41 41 LEU N N 41 122.579 122.579 123.463 -0.884 25446 6502 1 17 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.079 -0.234 25446 6503 1 17 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.634 0.631 25446 6504 1 17 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.920 -0.341 25446 6505 1 17 . 1 1 41 41 LEU H H 41 8.551 8.551 8.607 -0.056 25446 6506 1 17 . 1 1 42 42 LEU N N 42 116.126 116.126 119.377 -3.251 25446 6507 1 17 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.975 0.034 25446 6508 1 17 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.306 -0.205 25446 6509 1 17 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.758 -0.811 25446 6510 1 17 . 1 1 42 42 LEU H H 42 7.213 7.213 7.766 -0.553 25446 6511 1 17 . 1 1 43 43 LYS N N 43 119.793 119.793 119.385 0.408 25446 6512 1 17 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.066 0.216 25446 6513 1 17 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.983 -0.413 25446 6514 1 17 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.401 0.136 25446 6515 1 17 . 1 1 43 43 LYS H H 43 7.664 7.664 7.470 0.194 25446 6516 1 17 . 1 1 44 44 VAL N N 44 121.147 121.147 121.263 -0.116 25446 6517 1 17 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.010 -0.073 25446 6518 1 17 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.036 -0.218 25446 6519 1 17 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.906 -0.347 25446 6520 1 17 . 1 1 44 44 VAL H H 44 8.278 8.278 8.612 -0.334 25446 6521 1 17 . 1 1 45 45 ILE N N 45 119.222 119.222 120.677 -1.455 25446 6522 1 17 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.790 -0.385 25446 6523 1 17 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.429 1.632 25446 6524 1 17 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.179 1.060 25446 6525 1 17 . 1 1 45 45 ILE H H 45 8.127 8.127 8.237 -0.110 25446 6526 1 17 . 1 1 46 46 ALA N N 46 121.011 121.011 122.702 -1.691 25446 6527 1 17 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.145 0.087 25446 6528 1 17 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.060 -0.100 25446 6529 1 17 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.498 -0.158 25446 6530 1 17 . 1 1 46 46 ALA H H 46 7.811 7.811 7.823 -0.012 25446 6531 1 17 . 1 1 47 47 TRP N N 47 121.158 121.158 121.196 -0.038 25446 6532 1 17 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.430 -0.195 25446 6533 1 17 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.541 1.293 25446 6534 1 17 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.873 -1.653 25446 6535 1 17 . 1 1 47 47 TRP H H 47 8.094 8.094 8.407 -0.313 25446 6536 1 17 . 1 1 48 48 LEU N N 48 118.890 118.890 121.788 -2.898 25446 6537 1 17 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.849 0.724 25446 6538 1 17 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.475 -0.283 25446 6539 1 17 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.556 0.698 25446 6540 1 17 . 1 1 48 48 LEU H H 48 8.704 8.704 9.011 -0.307 25446 6541 1 17 . 1 1 49 49 GLU N N 49 118.917 118.917 119.059 -0.142 25446 6542 1 17 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.104 -0.058 25446 6543 1 17 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.150 0.558 25446 6544 1 17 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.444 0.172 25446 6545 1 17 . 1 1 49 49 GLU H H 49 7.808 7.808 8.001 -0.193 25446 6546 1 17 . 1 1 50 50 ASP N N 50 119.614 119.614 119.807 -0.193 25446 6547 1 17 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.398 -0.158 25446 6548 1 17 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.334 0.675 25446 6549 1 17 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.840 1.537 25446 6550 1 17 . 1 1 50 50 ASP H H 50 7.677 7.677 7.602 0.075 25446 6551 1 17 . 1 1 51 51 ARG N N 51 116.918 116.918 118.212 -1.294 25446 6552 1 17 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.864 -0.139 25446 6553 1 17 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.509 -2.221 25446 6554 1 17 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.136 -0.852 25446 6555 1 17 . 1 1 51 51 ARG H H 51 8.876 8.876 7.816 1.060 25446 6556 1 17 . 1 1 52 52 PHE N N 52 112.278 112.278 114.940 -2.662 25446 6557 1 17 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.664 -0.007 25446 6558 1 17 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.234 -1.184 25446 6559 1 17 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.808 0.944 25446 6560 1 17 . 1 1 52 52 PHE H H 52 7.330 7.330 7.594 -0.264 25446 6561 1 17 . 1 1 53 53 GLY N N 53 109.717 109.717 109.304 0.413 25446 6562 1 17 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.779 0.868 25446 6563 1 17 . 1 1 53 53 GLY H H 53 7.411 7.411 8.388 -0.977 25446 6564 1 17 . 1 1 54 54 ILE N N 54 119.148 119.148 115.047 4.101 25446 6565 1 17 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.579 -0.636 25446 6566 1 17 . 1 1 54 54 ILE CA C 54 60.600 60.600 58.528 2.072 25446 6567 1 17 . 1 1 54 54 ILE CB C 54 39.509 39.509 40.679 -1.170 25446 6568 1 17 . 1 1 54 54 ILE H H 54 6.901 6.901 7.293 -0.392 25446 6569 1 17 . 1 1 55 55 ALA N N 55 129.774 129.774 125.157 4.617 25446 6570 1 17 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.235 0.167 25446 6571 1 17 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.825 -1.177 25446 6572 1 17 . 1 1 55 55 ALA H H 55 8.538 8.538 8.366 0.172 25446 6573 1 17 . 1 1 56 56 ALA N N 56 126.034 126.034 123.524 2.510 25446 6574 1 17 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.105 0.168 25446 6575 1 17 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.419 0.193 25446 6576 1 17 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.787 0.335 25446 6577 1 17 . 1 1 56 56 ALA H H 56 8.620 8.620 8.495 0.125 25446 6578 1 17 . 1 1 57 57 ASP N N 57 115.649 115.649 115.621 0.028 25446 6579 1 17 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.441 0.035 25446 6580 1 17 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.862 0.308 25446 6581 1 17 . 1 1 57 57 ASP H H 57 8.321 8.321 8.402 -0.081 25446 6582 1 17 . 1 1 58 58 ASP N N 58 118.298 118.298 118.403 -0.105 25446 6583 1 17 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.797 -0.129 25446 6584 1 17 . 1 1 58 58 ASP CA C 58 54.802 54.802 53.160 1.642 25446 6585 1 17 . 1 1 58 58 ASP H H 58 7.971 7.971 8.082 -0.111 25446 6586 1 17 . 1 1 59 59 VAL N N 59 118.443 118.443 121.338 -2.895 25446 6587 1 17 . 1 1 59 59 VAL HA H 59 4.209 4.209 3.839 0.370 25446 6588 1 17 . 1 1 59 59 VAL CA C 59 62.070 62.070 64.145 -2.075 25446 6589 1 17 . 1 1 59 59 VAL CB C 59 33.330 33.330 32.456 0.874 25446 6590 1 17 . 1 1 59 59 VAL H H 59 7.700 7.700 8.354 -0.654 25446 6591 1 17 . 1 1 60 60 GLU N N 60 122.777 122.777 118.410 4.367 25446 6592 1 17 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.533 -0.250 25446 6593 1 17 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.698 0.620 25446 6594 1 17 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.581 -1.704 25446 6595 1 17 . 1 1 60 60 GLU H H 60 8.416 8.416 8.024 0.392 25446 6596 1 17 . 1 1 61 61 LEU N N 61 124.910 124.910 122.602 2.308 25446 6597 1 17 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.836 -0.479 25446 6598 1 17 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.724 0.438 25446 6599 1 17 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.717 -0.872 25446 6600 1 17 . 1 1 61 61 LEU H H 61 8.249 8.249 8.464 -0.215 25446 6601 1 17 . 1 1 62 62 SER N N 62 118.228 118.228 118.680 -0.452 25446 6602 1 17 . 1 1 62 62 SER HA H 62 4.816 4.816 4.990 -0.174 25446 6603 1 17 . 1 1 62 62 SER CB C 62 63.963 63.963 64.079 -0.116 25446 6604 1 17 . 1 1 62 62 SER H H 62 8.025 8.025 8.404 -0.379 25446 6605 1 17 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.541 -0.287 25446 6606 1 17 . 1 1 63 63 PRO CA C 63 64.894 64.894 64.847 0.047 25446 6607 1 17 . 1 1 64 64 GLU N N 64 116.457 116.457 118.611 -2.154 25446 6608 1 17 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.107 -0.240 25446 6609 1 17 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.363 -0.617 25446 6610 1 17 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.281 -0.574 25446 6611 1 17 . 1 1 64 64 GLU H H 64 8.310 8.310 8.987 -0.677 25446 6612 1 17 . 1 1 65 65 HIS N N 65 114.998 114.998 118.689 -3.691 25446 6613 1 17 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.289 0.008 25446 6614 1 17 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.122 -0.757 25446 6615 1 17 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.776 -0.169 25446 6616 1 17 . 1 1 65 65 HIS H H 65 7.324 7.324 7.793 -0.469 25446 6617 1 17 . 1 1 66 66 PHE N N 66 115.965 115.965 114.598 1.367 25446 6618 1 17 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.521 0.261 25446 6619 1 17 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.233 -2.567 25446 6620 1 17 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.907 0.077 25446 6621 1 17 . 1 1 66 66 PHE H H 66 7.245 7.245 7.611 -0.366 25446 6622 1 17 . 1 1 67 67 ARG N N 67 112.179 112.179 117.900 -5.721 25446 6623 1 17 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.030 0.054 25446 6624 1 17 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.001 0.290 25446 6625 1 17 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.909 0.728 25446 6626 1 17 . 1 1 67 67 ARG H H 67 6.632 6.632 7.500 -0.868 25446 6627 1 17 . 1 1 68 68 SER N N 68 109.181 109.181 109.045 0.136 25446 6628 1 17 . 1 1 68 68 SER HA H 68 4.985 4.985 4.681 0.304 25446 6629 1 17 . 1 1 68 68 SER CA C 68 55.664 55.664 56.607 -0.943 25446 6630 1 17 . 1 1 68 68 SER CB C 68 67.608 67.608 66.346 1.262 25446 6631 1 17 . 1 1 68 68 SER H H 68 8.139 8.139 7.388 0.751 25446 6632 1 17 . 1 1 69 69 ILE N N 69 122.526 122.526 123.669 -1.143 25446 6633 1 17 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.765 -0.083 25446 6634 1 17 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.528 2.210 25446 6635 1 17 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.940 -0.952 25446 6636 1 17 . 1 1 69 69 ILE H H 69 9.770 9.770 8.774 0.996 25446 6637 1 17 . 1 1 70 70 ARG N N 70 118.671 118.671 118.853 -0.182 25446 6638 1 17 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.932 0.036 25446 6639 1 17 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.707 0.622 25446 6640 1 17 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.473 0.827 25446 6641 1 17 . 1 1 70 70 ARG H H 70 8.860 8.860 8.264 0.596 25446 6642 1 17 . 1 1 71 71 SER N N 71 117.722 117.722 115.219 2.503 25446 6643 1 17 . 1 1 71 71 SER HA H 71 4.346 4.346 4.183 0.163 25446 6644 1 17 . 1 1 71 71 SER CB C 71 62.962 62.962 62.760 0.202 25446 6645 1 17 . 1 1 71 71 SER H H 71 8.534 8.534 7.653 0.881 25446 6646 1 17 . 1 1 72 72 ILE N N 72 127.380 127.380 120.564 6.816 25446 6647 1 17 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.721 0.204 25446 6648 1 17 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.422 2.323 25446 6649 1 17 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.619 -0.258 25446 6650 1 17 . 1 1 72 72 ILE H H 72 8.789 8.789 7.185 1.604 25446 6651 1 17 . 1 1 73 73 ASP N N 73 121.443 121.443 120.913 0.530 25446 6652 1 17 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.366 -0.354 25446 6653 1 17 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.379 1.721 25446 6654 1 17 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.680 3.000 25446 6655 1 17 . 1 1 73 73 ASP H H 73 8.699 8.699 8.179 0.520 25446 6656 1 17 . 1 1 74 74 ALA N N 74 118.799 118.799 122.010 -3.211 25446 6657 1 17 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.121 -0.082 25446 6658 1 17 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.167 0.068 25446 6659 1 17 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.280 -0.331 25446 6660 1 17 . 1 1 74 74 ALA H H 74 8.042 8.042 8.079 -0.037 25446 6661 1 17 . 1 1 75 75 PHE N N 75 121.125 121.125 119.552 1.573 25446 6662 1 17 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.149 -0.104 25446 6663 1 17 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.696 -0.745 25446 6664 1 17 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.492 -0.621 25446 6665 1 17 . 1 1 75 75 PHE H H 75 8.369 8.369 7.787 0.582 25446 6666 1 17 . 1 1 76 76 VAL N N 76 120.715 120.715 119.484 1.231 25446 6667 1 17 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.543 -0.593 25446 6668 1 17 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.849 -0.020 25446 6669 1 17 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.351 -0.124 25446 6670 1 17 . 1 1 76 76 VAL H H 76 8.555 8.555 8.296 0.259 25446 6671 1 17 . 1 1 77 77 VAL N N 77 121.286 121.286 119.146 2.140 25446 6672 1 17 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.865 -0.372 25446 6673 1 17 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.727 1.051 25446 6674 1 17 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.794 0.072 25446 6675 1 17 . 1 1 77 77 VAL H H 77 8.770 8.770 8.355 0.415 25446 6676 1 17 . 1 1 78 78 GLY N N 78 106.349 106.349 105.378 0.971 25446 6677 1 17 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.400 0.232 25446 6678 1 17 . 1 1 78 78 GLY H H 78 7.976 7.976 7.907 0.069 25446 6679 1 17 . 1 1 79 79 ALA N N 79 120.998 120.998 121.904 -0.906 25446 6680 1 17 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.459 -0.252 25446 6681 1 17 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.436 0.360 25446 6682 1 17 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.255 -0.989 25446 6683 1 17 . 1 1 79 79 ALA H H 79 7.647 7.647 7.119 0.528 25446 6684 1 17 . 1 1 80 80 THR N N 80 107.402 107.402 115.310 -7.908 25446 6685 1 17 . 1 1 80 80 THR HA H 80 4.454 4.454 4.320 0.134 25446 6686 1 17 . 1 1 80 80 THR CA C 80 61.337 61.337 61.891 -0.554 25446 6687 1 17 . 1 1 80 80 THR CB C 80 70.703 70.703 71.114 -0.411 25446 6688 1 17 . 1 1 80 80 THR H H 80 7.469 7.469 8.089 -0.620 25446 6689 1 17 . 1 1 81 81 THR N N 81 119.746 119.746 119.177 0.569 25446 6690 1 17 . 1 1 81 81 THR HA H 81 4.668 4.668 4.354 0.314 25446 6691 1 17 . 1 1 81 81 THR CA C 81 60.448 60.448 57.754 2.694 25446 6692 1 17 . 1 1 81 81 THR CB C 81 70.062 70.062 69.693 0.369 25446 6693 1 17 . 1 1 81 81 THR H H 81 7.684 7.684 8.243 -0.559 25446 6694 1 17 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.839 -0.140 25446 6695 1 17 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.890 0.720 25446 6696 1 17 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.878 0.126 25446 6697 1 17 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.475 -0.002 25446 6698 1 17 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.916 -0.105 25446 6699 1 17 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.413 -0.332 25446 6700 1 17 . 1 1 84 84 VAL N N 84 120.611 120.611 122.793 -2.182 25446 6701 1 17 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.307 -0.260 25446 6702 1 17 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.640 -0.327 25446 6703 1 17 . 1 1 84 84 VAL CB C 84 32.872 32.872 33.189 -0.317 25446 6704 1 17 . 1 1 84 84 VAL H H 84 8.240 8.240 8.423 -0.183 25446 6705 1 17 . 1 1 85 85 GLU N N 85 125.076 125.076 125.043 0.033 25446 6706 1 17 . 1 1 85 85 GLU H H 85 8.434 8.434 8.941 -0.507 25446 6707 1 17 . 1 1 86 86 ALA N N 86 126.280 126.280 122.666 3.614 25446 6708 1 17 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.329 0.959 25446 6709 1 17 . 1 1 86 86 ALA H H 86 8.340 8.340 7.820 0.520 25446 6710 1 17 . 1 1 87 87 LYS N N 87 121.709 121.709 119.298 2.411 25446 6711 1 17 . 1 1 87 87 LYS CB C 87 33.204 33.204 30.344 2.860 25446 6712 1 17 . 1 1 87 87 LYS H H 87 8.334 8.334 8.599 -0.265 25446 6713 1 17 . 1 1 88 88 LEU N N 88 125.379 125.379 118.767 6.612 25446 6714 1 17 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.134 -4.134 25446 6715 1 17 . 1 1 88 88 LEU H H 88 8.435 8.435 8.547 -0.112 25446 6716 1 18 . 1 1 2 2 GLN N N 2 123.771 123.771 122.752 1.019 25446 6717 1 18 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.662 -0.532 25446 6718 1 18 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.089 2.460 25446 6719 1 18 . 1 1 2 2 GLN CB C 2 30.162 30.162 30.709 -0.547 25446 6720 1 18 . 1 1 2 2 GLN H H 2 9.634 9.634 8.434 1.200 25446 6721 1 18 . 1 1 3 3 HIS N N 3 119.013 119.013 117.812 1.201 25446 6722 1 18 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.059 1.125 25446 6723 1 18 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.957 -1.954 25446 6724 1 18 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.437 1.651 25446 6725 1 18 . 1 1 3 3 HIS H H 3 9.946 9.946 9.163 0.783 25446 6726 1 18 . 1 1 4 4 ALA N N 4 122.550 122.550 121.018 1.532 25446 6727 1 18 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.017 -0.126 25446 6728 1 18 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.036 1.524 25446 6729 1 18 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.804 -0.012 25446 6730 1 18 . 1 1 4 4 ALA H H 4 7.524 7.524 8.613 -1.089 25446 6731 1 18 . 1 1 5 5 SER N N 5 112.310 112.310 113.977 -1.667 25446 6732 1 18 . 1 1 5 5 SER HA H 5 4.295 4.295 4.087 0.208 25446 6733 1 18 . 1 1 5 5 SER CA C 5 62.089 62.089 61.841 0.248 25446 6734 1 18 . 1 1 5 5 SER CB C 5 62.421 62.421 62.753 -0.332 25446 6735 1 18 . 1 1 5 5 SER H H 5 8.772 8.772 8.345 0.427 25446 6736 1 18 . 1 1 6 6 VAL N N 6 122.625 122.625 122.670 -0.045 25446 6737 1 18 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.724 0.387 25446 6738 1 18 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.029 -0.321 25446 6739 1 18 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.648 1.092 25446 6740 1 18 . 1 1 6 6 VAL H H 6 7.657 7.657 7.232 0.425 25446 6741 1 18 . 1 1 7 7 ILE N N 7 121.536 121.536 120.390 1.146 25446 6742 1 18 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.695 0.531 25446 6743 1 18 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.712 -0.419 25446 6744 1 18 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.438 1.193 25446 6745 1 18 . 1 1 7 7 ILE H H 7 8.526 8.526 7.696 0.830 25446 6746 1 18 . 1 1 8 8 ALA N N 8 121.229 121.229 121.665 -0.436 25446 6747 1 18 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.044 -0.148 25446 6748 1 18 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.581 0.661 25446 6749 1 18 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.218 0.513 25446 6750 1 18 . 1 1 8 8 ALA H H 8 8.946 8.946 8.126 0.821 25446 6751 1 18 . 1 1 9 9 GLN N N 9 114.998 114.998 119.137 -4.139 25446 6752 1 18 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.086 -0.213 25446 6753 1 18 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.154 0.805 25446 6754 1 18 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.195 -0.383 25446 6755 1 18 . 1 1 9 9 GLN H H 9 7.731 7.731 8.156 -0.425 25446 6756 1 18 . 1 1 10 10 PHE N N 10 120.075 120.075 122.037 -1.962 25446 6757 1 18 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.215 -0.137 25446 6758 1 18 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.127 -0.274 25446 6759 1 18 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.760 -0.936 25446 6760 1 18 . 1 1 10 10 PHE H H 10 7.299 7.299 8.653 -1.354 25446 6761 1 18 . 1 1 11 11 VAL N N 11 117.458 117.458 116.561 0.897 25446 6762 1 18 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.791 -0.484 25446 6763 1 18 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.741 0.703 25446 6764 1 18 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.052 0.636 25446 6765 1 18 . 1 1 11 11 VAL H H 11 8.363 8.363 8.313 0.050 25446 6766 1 18 . 1 1 12 12 VAL N N 12 117.722 117.722 120.150 -2.428 25446 6767 1 18 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.806 -0.059 25446 6768 1 18 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.065 -0.146 25446 6769 1 18 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.560 0.707 25446 6770 1 18 . 1 1 12 12 VAL H H 12 8.289 8.289 8.274 0.015 25446 6771 1 18 . 1 1 13 13 GLU N N 13 117.827 117.827 119.866 -2.039 25446 6772 1 18 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.827 -0.085 25446 6773 1 18 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.288 -0.095 25446 6774 1 18 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.211 0.283 25446 6775 1 18 . 1 1 13 13 GLU H H 13 7.758 7.758 8.034 -0.276 25446 6776 1 18 . 1 1 14 14 GLU N N 14 113.425 113.425 118.246 -4.821 25446 6777 1 18 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.647 0.125 25446 6778 1 18 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.806 -1.199 25446 6779 1 18 . 1 1 14 14 GLU CB C 14 29.499 29.499 28.875 0.624 25446 6780 1 18 . 1 1 14 14 GLU H H 14 7.604 7.604 7.355 0.249 25446 6781 1 18 . 1 1 15 15 PHE N N 15 114.097 114.097 115.562 -1.465 25446 6782 1 18 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.712 0.229 25446 6783 1 18 . 1 1 15 15 PHE CA C 15 57.993 57.993 56.251 1.742 25446 6784 1 18 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.082 2.910 25446 6785 1 18 . 1 1 15 15 PHE H H 15 7.916 7.916 7.124 0.792 25446 6786 1 18 . 1 1 16 16 LEU N N 16 121.405 121.405 122.163 -0.758 25446 6787 1 18 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.696 0.271 25446 6788 1 18 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.976 -0.659 25446 6789 1 18 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.880 2.855 25446 6790 1 18 . 1 1 16 16 LEU H H 16 8.046 8.046 7.401 0.645 25446 6791 1 18 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.494 -0.120 25446 6792 1 18 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.511 2.154 25446 6793 1 18 . 1 1 18 18 ASP N N 18 116.413 116.413 117.941 -1.528 25446 6794 1 18 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.474 0.110 25446 6795 1 18 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.242 0.347 25446 6796 1 18 . 1 1 18 18 ASP H H 18 8.415 8.415 8.478 -0.063 25446 6797 1 18 . 1 1 19 19 VAL N N 19 122.077 122.077 118.665 3.412 25446 6798 1 18 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.099 0.014 25446 6799 1 18 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.532 0.815 25446 6800 1 18 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.880 -0.493 25446 6801 1 18 . 1 1 19 19 VAL H H 19 7.771 7.771 7.302 0.469 25446 6802 1 18 . 1 1 20 20 ALA N N 20 129.197 129.197 130.084 -0.887 25446 6803 1 18 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.544 0.044 25446 6804 1 18 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.199 0.029 25446 6805 1 18 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.315 -0.892 25446 6806 1 18 . 1 1 20 20 ALA H H 20 8.765 8.765 8.449 0.316 25446 6807 1 18 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.145 -0.071 25446 6808 1 18 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.605 0.536 25446 6809 1 18 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.753 -0.415 25446 6810 1 18 . 1 1 22 22 ALA N N 22 115.949 115.949 116.615 -0.666 25446 6811 1 18 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.200 -0.083 25446 6812 1 18 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.775 0.008 25446 6813 1 18 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.493 0.259 25446 6814 1 18 . 1 1 22 22 ALA H H 22 8.074 8.074 7.896 0.178 25446 6815 1 18 . 1 1 23 23 ASP N N 23 115.451 115.451 118.079 -2.628 25446 6816 1 18 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.798 -0.146 25446 6817 1 18 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.929 0.514 25446 6818 1 18 . 1 1 23 23 ASP CB C 23 41.140 41.140 40.961 0.179 25446 6819 1 18 . 1 1 23 23 ASP H H 23 8.023 8.023 8.384 -0.361 25446 6820 1 18 . 1 1 24 24 VAL N N 24 121.382 121.382 120.754 0.628 25446 6821 1 18 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.215 -0.387 25446 6822 1 18 . 1 1 24 24 VAL CA C 24 62.311 62.311 60.909 1.402 25446 6823 1 18 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.830 -1.966 25446 6824 1 18 . 1 1 24 24 VAL H H 24 7.072 7.072 7.235 -0.163 25446 6825 1 18 . 1 1 25 25 ASP N N 25 129.258 129.258 128.797 0.461 25446 6826 1 18 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.647 -0.075 25446 6827 1 18 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.387 0.083 25446 6828 1 18 . 1 1 25 25 ASP H H 25 8.499 8.499 8.883 -0.384 25446 6829 1 18 . 1 1 26 26 VAL N N 26 121.736 121.736 118.916 2.820 25446 6830 1 18 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.866 0.242 25446 6831 1 18 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.905 0.571 25446 6832 1 18 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.998 -0.782 25446 6833 1 18 . 1 1 26 26 VAL H H 26 8.566 8.566 7.833 0.733 25446 6834 1 18 . 1 1 27 27 ASP N N 27 116.233 116.233 117.591 -1.358 25446 6835 1 18 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.711 0.443 25446 6836 1 18 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.582 -0.459 25446 6837 1 18 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.444 2.148 25446 6838 1 18 . 1 1 27 27 ASP H H 27 8.638 8.638 7.955 0.683 25446 6839 1 18 . 1 1 28 28 LEU N N 28 125.046 125.046 122.503 2.543 25446 6840 1 18 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.517 -0.491 25446 6841 1 18 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.781 1.086 25446 6842 1 18 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.849 -0.441 25446 6843 1 18 . 1 1 28 28 LEU H H 28 7.389 7.389 7.576 -0.187 25446 6844 1 18 . 1 1 29 29 ASP N N 29 125.807 125.807 124.983 0.824 25446 6845 1 18 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.666 0.165 25446 6846 1 18 . 1 1 29 29 ASP H H 29 8.731 8.731 8.628 0.103 25446 6847 1 18 . 1 1 30 30 LEU N N 30 130.007 130.007 122.920 7.087 25446 6848 1 18 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.509 -0.611 25446 6849 1 18 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.171 0.248 25446 6850 1 18 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.257 0.867 25446 6851 1 18 . 1 1 30 30 LEU H H 30 9.744 9.744 8.297 1.447 25446 6852 1 18 . 1 1 31 31 VAL N N 31 121.093 121.093 122.523 -1.430 25446 6853 1 18 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.579 0.647 25446 6854 1 18 . 1 1 31 31 VAL CA C 31 64.391 64.391 65.918 -1.527 25446 6855 1 18 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.575 0.606 25446 6856 1 18 . 1 1 31 31 VAL H H 31 8.166 8.166 7.689 0.477 25446 6857 1 18 . 1 1 32 32 ASP N N 32 124.657 124.657 119.559 5.098 25446 6858 1 18 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.341 0.023 25446 6859 1 18 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.755 0.364 25446 6860 1 18 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.672 1.088 25446 6861 1 18 . 1 1 32 32 ASP H H 32 9.365 9.365 8.062 1.303 25446 6862 1 18 . 1 1 33 33 ASN N N 33 111.260 111.260 118.340 -7.080 25446 6863 1 18 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.714 0.026 25446 6864 1 18 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.756 1.056 25446 6865 1 18 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.933 1.173 25446 6866 1 18 . 1 1 33 33 ASN H H 33 7.423 7.423 8.183 -0.760 25446 6867 1 18 . 1 1 34 34 GLY N N 34 106.935 106.935 109.770 -2.835 25446 6868 1 18 . 1 1 34 34 GLY CA C 34 46.624 46.624 46.931 -0.307 25446 6869 1 18 . 1 1 34 34 GLY H H 34 7.648 7.648 8.518 -0.870 25446 6870 1 18 . 1 1 35 35 VAL N N 35 120.307 120.307 122.828 -2.521 25446 6871 1 18 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.539 0.241 25446 6872 1 18 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.811 -0.786 25446 6873 1 18 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.389 0.400 25446 6874 1 18 . 1 1 35 35 VAL H H 35 7.838 7.838 7.413 0.425 25446 6875 1 18 . 1 1 36 36 ILE N N 36 116.154 116.154 119.560 -3.406 25446 6876 1 18 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.415 0.344 25446 6877 1 18 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.789 -3.213 25446 6878 1 18 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.452 1.773 25446 6879 1 18 . 1 1 36 36 ILE H H 36 7.337 7.337 8.668 -1.331 25446 6880 1 18 . 1 1 37 37 ASP N N 37 126.730 126.730 120.027 6.703 25446 6881 1 18 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.866 0.863 25446 6882 1 18 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.827 -5.190 25446 6883 1 18 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.344 0.907 25446 6884 1 18 . 1 1 37 37 ASP H H 37 7.921 7.921 7.873 0.048 25446 6885 1 18 . 1 1 38 38 SER N N 38 113.176 113.176 113.177 -0.001 25446 6886 1 18 . 1 1 38 38 SER HA H 38 4.122 4.122 4.504 -0.382 25446 6887 1 18 . 1 1 38 38 SER CA C 38 61.062 61.062 59.709 1.353 25446 6888 1 18 . 1 1 39 39 LEU N N 39 122.521 122.521 122.681 -0.160 25446 6889 1 18 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.082 0.191 25446 6890 1 18 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.410 -1.040 25446 6891 1 18 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.026 -0.768 25446 6892 1 18 . 1 1 39 39 LEU H H 39 7.675 7.675 7.697 -0.022 25446 6893 1 18 . 1 1 40 40 GLY N N 40 111.971 111.971 106.374 5.597 25446 6894 1 18 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.896 1.224 25446 6895 1 18 . 1 1 40 40 GLY H H 40 8.776 8.776 7.440 1.336 25446 6896 1 18 . 1 1 41 41 LEU N N 41 122.579 122.579 123.618 -1.039 25446 6897 1 18 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.077 -0.232 25446 6898 1 18 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.769 0.496 25446 6899 1 18 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.905 -0.326 25446 6900 1 18 . 1 1 41 41 LEU H H 41 8.551 8.551 8.395 0.156 25446 6901 1 18 . 1 1 42 42 LEU N N 42 116.126 116.126 119.389 -3.263 25446 6902 1 18 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.909 0.100 25446 6903 1 18 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.641 -0.540 25446 6904 1 18 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.682 -0.735 25446 6905 1 18 . 1 1 42 42 LEU H H 42 7.213 7.213 7.998 -0.785 25446 6906 1 18 . 1 1 43 43 LYS N N 43 119.793 119.793 119.278 0.515 25446 6907 1 18 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.080 0.202 25446 6908 1 18 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.908 -0.339 25446 6909 1 18 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.354 0.183 25446 6910 1 18 . 1 1 43 43 LYS H H 43 7.664 7.664 7.463 0.201 25446 6911 1 18 . 1 1 44 44 VAL N N 44 121.147 121.147 121.448 -0.301 25446 6912 1 18 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.094 -0.157 25446 6913 1 18 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.313 -0.495 25446 6914 1 18 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.710 -0.151 25446 6915 1 18 . 1 1 44 44 VAL H H 44 8.278 8.278 8.516 -0.238 25446 6916 1 18 . 1 1 45 45 ILE N N 45 119.222 119.222 120.463 -1.241 25446 6917 1 18 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.835 -0.430 25446 6918 1 18 . 1 1 45 45 ILE CA C 45 66.061 66.061 63.757 2.304 25446 6919 1 18 . 1 1 45 45 ILE CB C 45 38.239 38.239 35.998 2.241 25446 6920 1 18 . 1 1 45 45 ILE H H 45 8.127 8.127 8.768 -0.641 25446 6921 1 18 . 1 1 46 46 ALA N N 46 121.011 121.011 123.305 -2.294 25446 6922 1 18 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.196 0.036 25446 6923 1 18 . 1 1 46 46 ALA CA C 46 54.960 54.960 54.974 -0.014 25446 6924 1 18 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.694 -0.354 25446 6925 1 18 . 1 1 46 46 ALA H H 46 7.811 7.811 8.095 -0.284 25446 6926 1 18 . 1 1 47 47 TRP N N 47 121.158 121.158 120.926 0.232 25446 6927 1 18 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.436 -0.201 25446 6928 1 18 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.392 1.442 25446 6929 1 18 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.811 -1.591 25446 6930 1 18 . 1 1 47 47 TRP H H 47 8.094 8.094 8.318 -0.224 25446 6931 1 18 . 1 1 48 48 LEU N N 48 118.890 118.890 121.337 -2.447 25446 6932 1 18 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.832 0.741 25446 6933 1 18 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.267 -0.075 25446 6934 1 18 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.647 0.607 25446 6935 1 18 . 1 1 48 48 LEU H H 48 8.704 8.704 8.983 -0.279 25446 6936 1 18 . 1 1 49 49 GLU N N 49 118.917 118.917 119.112 -0.195 25446 6937 1 18 . 1 1 49 49 GLU HA H 49 4.046 4.046 3.995 0.051 25446 6938 1 18 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.706 0.002 25446 6939 1 18 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.291 0.325 25446 6940 1 18 . 1 1 49 49 GLU H H 49 7.808 7.808 8.097 -0.289 25446 6941 1 18 . 1 1 50 50 ASP N N 50 119.614 119.614 119.441 0.173 25446 6942 1 18 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.383 -0.143 25446 6943 1 18 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.499 0.509 25446 6944 1 18 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.633 1.744 25446 6945 1 18 . 1 1 50 50 ASP H H 50 7.677 7.677 7.476 0.201 25446 6946 1 18 . 1 1 51 51 ARG N N 51 116.918 116.918 117.373 -0.455 25446 6947 1 18 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.931 -0.206 25446 6948 1 18 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.192 -1.904 25446 6949 1 18 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.505 -1.221 25446 6950 1 18 . 1 1 51 51 ARG H H 51 8.876 8.876 7.099 1.777 25446 6951 1 18 . 1 1 52 52 PHE N N 52 112.278 112.278 114.865 -2.587 25446 6952 1 18 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.592 0.065 25446 6953 1 18 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.287 -1.237 25446 6954 1 18 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.518 1.234 25446 6955 1 18 . 1 1 52 52 PHE H H 52 7.330 7.330 7.784 -0.454 25446 6956 1 18 . 1 1 53 53 GLY N N 53 109.717 109.717 109.359 0.358 25446 6957 1 18 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.578 1.068 25446 6958 1 18 . 1 1 53 53 GLY H H 53 7.411 7.411 8.318 -0.907 25446 6959 1 18 . 1 1 54 54 ILE N N 54 119.148 119.148 120.159 -1.011 25446 6960 1 18 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.122 -0.179 25446 6961 1 18 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.308 0.292 25446 6962 1 18 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.276 0.233 25446 6963 1 18 . 1 1 54 54 ILE H H 54 6.901 6.901 7.192 -0.291 25446 6964 1 18 . 1 1 55 55 ALA N N 55 129.774 129.774 127.988 1.786 25446 6965 1 18 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.194 0.208 25446 6966 1 18 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.481 -0.833 25446 6967 1 18 . 1 1 55 55 ALA H H 55 8.538 8.538 8.437 0.101 25446 6968 1 18 . 1 1 56 56 ALA N N 56 126.034 126.034 126.632 -0.598 25446 6969 1 18 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.091 0.182 25446 6970 1 18 . 1 1 56 56 ALA CA C 56 53.612 53.612 54.661 -1.049 25446 6971 1 18 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.643 0.479 25446 6972 1 18 . 1 1 56 56 ALA H H 56 8.620 8.620 8.970 -0.350 25446 6973 1 18 . 1 1 57 57 ASP N N 57 115.649 115.649 115.101 0.548 25446 6974 1 18 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.615 -0.139 25446 6975 1 18 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.261 0.909 25446 6976 1 18 . 1 1 57 57 ASP H H 57 8.321 8.321 8.408 -0.087 25446 6977 1 18 . 1 1 58 58 ASP N N 58 118.298 118.298 119.893 -1.595 25446 6978 1 18 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.440 0.228 25446 6979 1 18 . 1 1 58 58 ASP CA C 58 54.802 54.802 56.150 -1.348 25446 6980 1 18 . 1 1 58 58 ASP H H 58 7.971 7.971 7.879 0.092 25446 6981 1 18 . 1 1 59 59 VAL N N 59 118.443 118.443 118.932 -0.489 25446 6982 1 18 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.222 -0.013 25446 6983 1 18 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.716 0.354 25446 6984 1 18 . 1 1 59 59 VAL CB C 59 33.330 33.330 34.434 -1.105 25446 6985 1 18 . 1 1 59 59 VAL H H 59 7.700 7.700 7.594 0.106 25446 6986 1 18 . 1 1 60 60 GLU N N 60 122.777 122.777 126.546 -3.769 25446 6987 1 18 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.575 -0.292 25446 6988 1 18 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.827 0.491 25446 6989 1 18 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.794 -0.917 25446 6990 1 18 . 1 1 60 60 GLU H H 60 8.416 8.416 8.438 -0.022 25446 6991 1 18 . 1 1 61 61 LEU N N 61 124.910 124.910 124.397 0.513 25446 6992 1 18 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.592 -0.235 25446 6993 1 18 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.913 1.249 25446 6994 1 18 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.556 -1.711 25446 6995 1 18 . 1 1 61 61 LEU H H 61 8.249 8.249 8.569 -0.320 25446 6996 1 18 . 1 1 62 62 SER N N 62 118.228 118.228 118.573 -0.345 25446 6997 1 18 . 1 1 62 62 SER HA H 62 4.816 4.816 4.903 -0.087 25446 6998 1 18 . 1 1 62 62 SER CB C 62 63.963 63.963 64.256 -0.293 25446 6999 1 18 . 1 1 62 62 SER H H 62 8.025 8.025 8.219 -0.194 25446 7000 1 18 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.537 -0.283 25446 7001 1 18 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.289 -0.395 25446 7002 1 18 . 1 1 64 64 GLU N N 64 116.457 116.457 118.358 -1.901 25446 7003 1 18 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.087 -0.220 25446 7004 1 18 . 1 1 64 64 GLU CA C 64 58.746 58.746 58.983 -0.236 25446 7005 1 18 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.132 -0.425 25446 7006 1 18 . 1 1 64 64 GLU H H 64 8.310 8.310 8.315 -0.005 25446 7007 1 18 . 1 1 65 65 HIS N N 65 114.998 114.998 119.357 -4.359 25446 7008 1 18 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.209 0.088 25446 7009 1 18 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.227 -0.862 25446 7010 1 18 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.616 -0.009 25446 7011 1 18 . 1 1 65 65 HIS H H 65 7.324 7.324 7.651 -0.327 25446 7012 1 18 . 1 1 66 66 PHE N N 66 115.965 115.965 115.281 0.684 25446 7013 1 18 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.313 0.469 25446 7014 1 18 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.504 -2.838 25446 7015 1 18 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.233 0.751 25446 7016 1 18 . 1 1 66 66 PHE H H 66 7.245 7.245 7.381 -0.136 25446 7017 1 18 . 1 1 67 67 ARG N N 67 112.179 112.179 118.006 -5.827 25446 7018 1 18 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.015 0.069 25446 7019 1 18 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.221 0.070 25446 7020 1 18 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.858 0.779 25446 7021 1 18 . 1 1 67 67 ARG H H 67 6.632 6.632 7.498 -0.866 25446 7022 1 18 . 1 1 68 68 SER N N 68 109.181 109.181 110.971 -1.790 25446 7023 1 18 . 1 1 68 68 SER HA H 68 4.985 4.985 4.735 0.250 25446 7024 1 18 . 1 1 68 68 SER CA C 68 55.664 55.664 56.891 -1.226 25446 7025 1 18 . 1 1 68 68 SER CB C 68 67.608 67.608 65.966 1.642 25446 7026 1 18 . 1 1 68 68 SER H H 68 8.139 8.139 7.404 0.735 25446 7027 1 18 . 1 1 69 69 ILE N N 69 122.526 122.526 124.584 -2.058 25446 7028 1 18 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.699 -0.017 25446 7029 1 18 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.126 1.612 25446 7030 1 18 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.962 -0.973 25446 7031 1 18 . 1 1 69 69 ILE H H 69 9.770 9.770 8.966 0.804 25446 7032 1 18 . 1 1 70 70 ARG N N 70 118.671 118.671 119.720 -1.049 25446 7033 1 18 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.251 -0.283 25446 7034 1 18 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.592 0.737 25446 7035 1 18 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.711 0.589 25446 7036 1 18 . 1 1 70 70 ARG H H 70 8.860 8.860 8.591 0.269 25446 7037 1 18 . 1 1 71 71 SER N N 71 117.722 117.722 115.360 2.362 25446 7038 1 18 . 1 1 71 71 SER HA H 71 4.346 4.346 4.332 0.014 25446 7039 1 18 . 1 1 71 71 SER CB C 71 62.962 62.962 62.604 0.358 25446 7040 1 18 . 1 1 71 71 SER H H 71 8.534 8.534 7.677 0.857 25446 7041 1 18 . 1 1 72 72 ILE N N 72 127.380 127.380 122.610 4.770 25446 7042 1 18 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.915 0.010 25446 7043 1 18 . 1 1 72 72 ILE CA C 72 66.745 66.745 65.198 1.547 25446 7044 1 18 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.304 0.057 25446 7045 1 18 . 1 1 72 72 ILE H H 72 8.789 8.789 7.252 1.537 25446 7046 1 18 . 1 1 73 73 ASP N N 73 121.443 121.443 120.189 1.254 25446 7047 1 18 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.373 -0.361 25446 7048 1 18 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.882 1.218 25446 7049 1 18 . 1 1 73 73 ASP CB C 73 43.680 43.680 39.729 3.951 25446 7050 1 18 . 1 1 73 73 ASP H H 73 8.699 8.699 7.626 1.073 25446 7051 1 18 . 1 1 74 74 ALA N N 74 118.799 118.799 122.637 -3.838 25446 7052 1 18 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.099 -0.060 25446 7053 1 18 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.139 0.096 25446 7054 1 18 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.356 -0.407 25446 7055 1 18 . 1 1 74 74 ALA H H 74 8.042 8.042 7.665 0.377 25446 7056 1 18 . 1 1 75 75 PHE N N 75 121.125 121.125 117.913 3.212 25446 7057 1 18 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.135 -0.090 25446 7058 1 18 . 1 1 75 75 PHE CA C 75 60.951 60.951 62.003 -1.052 25446 7059 1 18 . 1 1 75 75 PHE CB C 75 38.871 38.871 38.726 0.145 25446 7060 1 18 . 1 1 75 75 PHE H H 75 8.369 8.369 8.013 0.356 25446 7061 1 18 . 1 1 76 76 VAL N N 76 120.715 120.715 119.470 1.245 25446 7062 1 18 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.669 -0.719 25446 7063 1 18 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.055 -0.226 25446 7064 1 18 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.222 0.005 25446 7065 1 18 . 1 1 76 76 VAL H H 76 8.555 8.555 8.626 -0.071 25446 7066 1 18 . 1 1 77 77 VAL N N 77 121.286 121.286 121.018 0.268 25446 7067 1 18 . 1 1 77 77 VAL HA H 77 3.493 3.493 4.026 -0.533 25446 7068 1 18 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.343 1.435 25446 7069 1 18 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.085 0.781 25446 7070 1 18 . 1 1 77 77 VAL H H 77 8.770 8.770 8.530 0.240 25446 7071 1 18 . 1 1 78 78 GLY N N 78 106.349 106.349 107.725 -1.376 25446 7072 1 18 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.152 0.480 25446 7073 1 18 . 1 1 78 78 GLY H H 78 7.976 7.976 8.059 -0.083 25446 7074 1 18 . 1 1 79 79 ALA N N 79 120.998 120.998 123.774 -2.776 25446 7075 1 18 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.334 -0.127 25446 7076 1 18 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.860 -0.064 25446 7077 1 18 . 1 1 79 79 ALA CB C 79 19.266 19.266 19.901 -0.635 25446 7078 1 18 . 1 1 79 79 ALA H H 79 7.647 7.647 7.526 0.121 25446 7079 1 18 . 1 1 80 80 THR N N 80 107.402 107.402 108.878 -1.476 25446 7080 1 18 . 1 1 80 80 THR HA H 80 4.454 4.454 4.544 -0.090 25446 7081 1 18 . 1 1 80 80 THR CA C 80 61.337 61.337 60.386 0.951 25446 7082 1 18 . 1 1 80 80 THR CB C 80 70.703 70.703 71.061 -0.358 25446 7083 1 18 . 1 1 80 80 THR H H 80 7.469 7.469 8.232 -0.763 25446 7084 1 18 . 1 1 81 81 THR N N 81 119.746 119.746 116.715 3.031 25446 7085 1 18 . 1 1 81 81 THR HA H 81 4.668 4.668 4.739 -0.071 25446 7086 1 18 . 1 1 81 81 THR CA C 81 60.448 60.448 58.593 1.855 25446 7087 1 18 . 1 1 81 81 THR CB C 81 70.062 70.062 69.874 0.188 25446 7088 1 18 . 1 1 81 81 THR H H 81 7.684 7.684 8.348 -0.664 25446 7089 1 18 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.524 0.175 25446 7090 1 18 . 1 1 82 82 PRO CA C 82 61.610 61.610 62.023 -0.413 25446 7091 1 18 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.634 0.370 25446 7092 1 18 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.382 0.091 25446 7093 1 18 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.884 -0.073 25446 7094 1 18 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.237 -0.156 25446 7095 1 18 . 1 1 84 84 VAL N N 84 120.611 120.611 121.096 -0.485 25446 7096 1 18 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.100 -0.053 25446 7097 1 18 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.634 -0.321 25446 7098 1 18 . 1 1 84 84 VAL CB C 84 32.872 32.872 32.429 0.443 25446 7099 1 18 . 1 1 84 84 VAL H H 84 8.240 8.240 8.167 0.073 25446 7100 1 18 . 1 1 85 85 GLU N N 85 125.076 125.076 126.566 -1.490 25446 7101 1 18 . 1 1 85 85 GLU H H 85 8.434 8.434 8.520 -0.086 25446 7102 1 18 . 1 1 86 86 ALA N N 86 126.280 126.280 124.417 1.863 25446 7103 1 18 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.254 0.034 25446 7104 1 18 . 1 1 86 86 ALA H H 86 8.340 8.340 8.382 -0.042 25446 7105 1 18 . 1 1 87 87 LYS N N 87 121.709 121.709 123.728 -2.019 25446 7106 1 18 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.862 0.342 25446 7107 1 18 . 1 1 87 87 LYS H H 87 8.334 8.334 8.493 -0.159 25446 7108 1 18 . 1 1 88 88 LEU N N 88 125.379 125.379 119.328 6.051 25446 7109 1 18 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.040 -4.040 25446 7110 1 18 . 1 1 88 88 LEU H H 88 8.435 8.435 7.884 0.551 25446 7111 1 19 . 1 1 2 2 GLN N N 2 123.771 123.771 121.194 2.577 25446 7112 1 19 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.605 -0.475 25446 7113 1 19 . 1 1 2 2 GLN CA C 2 57.549 57.549 55.498 2.051 25446 7114 1 19 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.797 0.365 25446 7115 1 19 . 1 1 2 2 GLN H H 2 9.634 9.634 8.181 1.453 25446 7116 1 19 . 1 1 3 3 HIS N N 3 119.013 119.013 118.368 0.645 25446 7117 1 19 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.151 1.033 25446 7118 1 19 . 1 1 3 3 HIS CA C 3 55.003 55.003 57.831 -2.828 25446 7119 1 19 . 1 1 3 3 HIS CB C 3 31.088 31.088 28.061 3.027 25446 7120 1 19 . 1 1 3 3 HIS H H 3 9.946 9.946 9.107 0.839 25446 7121 1 19 . 1 1 4 4 ALA N N 4 122.550 122.550 121.085 1.465 25446 7122 1 19 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.004 -0.113 25446 7123 1 19 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.261 1.299 25446 7124 1 19 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.833 -0.041 25446 7125 1 19 . 1 1 4 4 ALA H H 4 7.524 7.524 7.694 -0.170 25446 7126 1 19 . 1 1 5 5 SER N N 5 112.310 112.310 112.257 0.053 25446 7127 1 19 . 1 1 5 5 SER HA H 5 4.295 4.295 4.175 0.120 25446 7128 1 19 . 1 1 5 5 SER CA C 5 62.089 62.089 61.229 0.860 25446 7129 1 19 . 1 1 5 5 SER CB C 5 62.421 62.421 62.695 -0.274 25446 7130 1 19 . 1 1 5 5 SER H H 5 8.772 8.772 8.141 0.631 25446 7131 1 19 . 1 1 6 6 VAL N N 6 122.625 122.625 123.015 -0.390 25446 7132 1 19 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.832 0.279 25446 7133 1 19 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.737 -0.030 25446 7134 1 19 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.249 1.491 25446 7135 1 19 . 1 1 6 6 VAL H H 6 7.657 7.657 7.506 0.151 25446 7136 1 19 . 1 1 7 7 ILE N N 7 121.536 121.536 120.953 0.583 25446 7137 1 19 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.701 0.525 25446 7138 1 19 . 1 1 7 7 ILE CA C 7 65.293 65.293 66.022 -0.729 25446 7139 1 19 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.285 1.346 25446 7140 1 19 . 1 1 7 7 ILE H H 7 8.526 8.526 7.577 0.949 25446 7141 1 19 . 1 1 8 8 ALA N N 8 121.229 121.229 121.351 -0.122 25446 7142 1 19 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.022 -0.126 25446 7143 1 19 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.448 0.794 25446 7144 1 19 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.036 0.695 25446 7145 1 19 . 1 1 8 8 ALA H H 8 8.946 8.946 7.754 1.192 25446 7146 1 19 . 1 1 9 9 GLN N N 9 114.998 114.998 119.434 -4.436 25446 7147 1 19 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.069 -0.196 25446 7148 1 19 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.953 0.007 25446 7149 1 19 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.902 -1.089 25446 7150 1 19 . 1 1 9 9 GLN H H 9 7.731 7.731 8.252 -0.521 25446 7151 1 19 . 1 1 10 10 PHE N N 10 120.075 120.075 121.252 -1.177 25446 7152 1 19 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.186 -0.108 25446 7153 1 19 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.575 -0.723 25446 7154 1 19 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.336 -0.513 25446 7155 1 19 . 1 1 10 10 PHE H H 10 7.299 7.299 8.966 -1.667 25446 7156 1 19 . 1 1 11 11 VAL N N 11 117.458 117.458 118.183 -0.725 25446 7157 1 19 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.696 -0.389 25446 7158 1 19 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.876 -0.432 25446 7159 1 19 . 1 1 11 11 VAL CB C 11 31.688 31.688 31.934 -0.246 25446 7160 1 19 . 1 1 11 11 VAL H H 11 8.363 8.363 8.431 -0.068 25446 7161 1 19 . 1 1 12 12 VAL N N 12 117.722 117.722 119.944 -2.222 25446 7162 1 19 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.817 -0.070 25446 7163 1 19 . 1 1 12 12 VAL CA C 12 65.919 65.919 65.743 0.176 25446 7164 1 19 . 1 1 12 12 VAL CB C 12 31.267 31.267 30.566 0.701 25446 7165 1 19 . 1 1 12 12 VAL H H 12 8.289 8.289 8.688 -0.399 25446 7166 1 19 . 1 1 13 13 GLU N N 13 117.827 117.827 120.272 -2.445 25446 7167 1 19 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.807 -0.065 25446 7168 1 19 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.369 -0.176 25446 7169 1 19 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.138 0.356 25446 7170 1 19 . 1 1 13 13 GLU H H 13 7.758 7.758 8.697 -0.939 25446 7171 1 19 . 1 1 14 14 GLU N N 14 113.425 113.425 118.319 -4.894 25446 7172 1 19 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.637 0.135 25446 7173 1 19 . 1 1 14 14 GLU CA C 14 56.607 56.607 57.714 -1.107 25446 7174 1 19 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.051 0.448 25446 7175 1 19 . 1 1 14 14 GLU H H 14 7.604 7.604 7.359 0.245 25446 7176 1 19 . 1 1 15 15 PHE N N 15 114.097 114.097 115.365 -1.268 25446 7177 1 19 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.709 0.232 25446 7178 1 19 . 1 1 15 15 PHE CA C 15 57.993 57.993 56.319 1.674 25446 7179 1 19 . 1 1 15 15 PHE CB C 15 41.992 41.992 38.953 3.039 25446 7180 1 19 . 1 1 15 15 PHE H H 15 7.916 7.916 7.133 0.783 25446 7181 1 19 . 1 1 16 16 LEU N N 16 121.405 121.405 122.274 -0.869 25446 7182 1 19 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.700 0.267 25446 7183 1 19 . 1 1 16 16 LEU CA C 16 52.317 52.317 53.032 -0.715 25446 7184 1 19 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.864 2.871 25446 7185 1 19 . 1 1 16 16 LEU H H 16 8.046 8.046 7.429 0.617 25446 7186 1 19 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.474 -0.100 25446 7187 1 19 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.384 2.281 25446 7188 1 19 . 1 1 18 18 ASP N N 18 116.413 116.413 117.804 -1.391 25446 7189 1 19 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.523 0.061 25446 7190 1 19 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.737 -0.147 25446 7191 1 19 . 1 1 18 18 ASP H H 18 8.415 8.415 8.469 -0.054 25446 7192 1 19 . 1 1 19 19 VAL N N 19 122.077 122.077 119.204 2.873 25446 7193 1 19 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.152 -0.039 25446 7194 1 19 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.255 1.093 25446 7195 1 19 . 1 1 19 19 VAL CB C 19 33.387 33.387 33.879 -0.492 25446 7196 1 19 . 1 1 19 19 VAL H H 19 7.771 7.771 7.394 0.377 25446 7197 1 19 . 1 1 20 20 ALA N N 20 129.197 129.197 130.626 -1.429 25446 7198 1 19 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.521 0.067 25446 7199 1 19 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.134 0.094 25446 7200 1 19 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.381 -0.958 25446 7201 1 19 . 1 1 20 20 ALA H H 20 8.765 8.765 8.361 0.404 25446 7202 1 19 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.140 -0.066 25446 7203 1 19 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.699 0.442 25446 7204 1 19 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.725 -0.387 25446 7205 1 19 . 1 1 22 22 ALA N N 22 115.949 115.949 117.417 -1.468 25446 7206 1 19 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.172 -0.055 25446 7207 1 19 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.126 -0.343 25446 7208 1 19 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.395 0.357 25446 7209 1 19 . 1 1 22 22 ALA H H 22 8.074 8.074 7.949 0.125 25446 7210 1 19 . 1 1 23 23 ASP N N 23 115.451 115.451 117.446 -1.995 25446 7211 1 19 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.775 -0.123 25446 7212 1 19 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.804 0.639 25446 7213 1 19 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.167 -0.027 25446 7214 1 19 . 1 1 23 23 ASP H H 23 8.023 8.023 8.368 -0.345 25446 7215 1 19 . 1 1 24 24 VAL N N 24 121.382 121.382 121.104 0.278 25446 7216 1 19 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.107 -0.279 25446 7217 1 19 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.204 1.107 25446 7218 1 19 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.215 -1.351 25446 7219 1 19 . 1 1 24 24 VAL H H 24 7.072 7.072 7.468 -0.396 25446 7220 1 19 . 1 1 25 25 ASP N N 25 129.258 129.258 127.918 1.340 25446 7221 1 19 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.599 -0.027 25446 7222 1 19 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.357 0.113 25446 7223 1 19 . 1 1 25 25 ASP H H 25 8.499 8.499 8.822 -0.323 25446 7224 1 19 . 1 1 26 26 VAL N N 26 121.736 121.736 120.246 1.490 25446 7225 1 19 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.836 0.272 25446 7226 1 19 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.253 1.223 25446 7227 1 19 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.418 -0.201 25446 7228 1 19 . 1 1 26 26 VAL H H 26 8.566 8.566 7.951 0.615 25446 7229 1 19 . 1 1 27 27 ASP N N 27 116.233 116.233 117.675 -1.442 25446 7230 1 19 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.634 0.520 25446 7231 1 19 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.545 -0.422 25446 7232 1 19 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.550 2.042 25446 7233 1 19 . 1 1 27 27 ASP H H 27 8.638 8.638 8.003 0.635 25446 7234 1 19 . 1 1 28 28 LEU N N 28 125.046 125.046 122.343 2.703 25446 7235 1 19 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.438 -0.412 25446 7236 1 19 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.621 1.246 25446 7237 1 19 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.481 -0.073 25446 7238 1 19 . 1 1 28 28 LEU H H 28 7.389 7.389 7.495 -0.106 25446 7239 1 19 . 1 1 29 29 ASP N N 29 125.807 125.807 125.561 0.246 25446 7240 1 19 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.726 0.105 25446 7241 1 19 . 1 1 29 29 ASP H H 29 8.731 8.731 8.582 0.149 25446 7242 1 19 . 1 1 30 30 LEU N N 30 130.007 130.007 124.776 5.231 25446 7243 1 19 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.086 -0.188 25446 7244 1 19 . 1 1 30 30 LEU CA C 30 56.419 56.419 57.038 -0.619 25446 7245 1 19 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.466 0.657 25446 7246 1 19 . 1 1 30 30 LEU H H 30 9.744 9.744 8.683 1.061 25446 7247 1 19 . 1 1 31 31 VAL N N 31 121.093 121.093 122.136 -1.043 25446 7248 1 19 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.537 0.689 25446 7249 1 19 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.870 -2.479 25446 7250 1 19 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.359 0.822 25446 7251 1 19 . 1 1 31 31 VAL H H 31 8.166 8.166 7.913 0.253 25446 7252 1 19 . 1 1 32 32 ASP N N 32 124.657 124.657 119.838 4.819 25446 7253 1 19 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.351 0.013 25446 7254 1 19 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.937 0.182 25446 7255 1 19 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.979 0.781 25446 7256 1 19 . 1 1 32 32 ASP H H 32 9.365 9.365 8.165 1.200 25446 7257 1 19 . 1 1 33 33 ASN N N 33 111.260 111.260 117.630 -6.370 25446 7258 1 19 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.565 0.175 25446 7259 1 19 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.669 1.143 25446 7260 1 19 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.820 1.286 25446 7261 1 19 . 1 1 33 33 ASN H H 33 7.423 7.423 8.091 -0.668 25446 7262 1 19 . 1 1 34 34 GLY N N 34 106.935 106.935 109.629 -2.694 25446 7263 1 19 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.035 -0.411 25446 7264 1 19 . 1 1 34 34 GLY H H 34 7.648 7.648 8.637 -0.989 25446 7265 1 19 . 1 1 35 35 VAL N N 35 120.307 120.307 122.830 -2.523 25446 7266 1 19 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.546 0.234 25446 7267 1 19 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.602 0.423 25446 7268 1 19 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.308 0.481 25446 7269 1 19 . 1 1 35 35 VAL H H 35 7.838 7.838 7.323 0.515 25446 7270 1 19 . 1 1 36 36 ILE N N 36 116.154 116.154 119.406 -3.252 25446 7271 1 19 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.864 -0.105 25446 7272 1 19 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.812 -3.236 25446 7273 1 19 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.775 1.450 25446 7274 1 19 . 1 1 36 36 ILE H H 36 7.337 7.337 8.458 -1.121 25446 7275 1 19 . 1 1 37 37 ASP N N 37 126.730 126.730 119.088 7.642 25446 7276 1 19 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.866 0.863 25446 7277 1 19 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.503 -4.866 25446 7278 1 19 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.054 1.197 25446 7279 1 19 . 1 1 37 37 ASP H H 37 7.921 7.921 8.102 -0.181 25446 7280 1 19 . 1 1 38 38 SER N N 38 113.176 113.176 114.068 -0.892 25446 7281 1 19 . 1 1 38 38 SER HA H 38 4.122 4.122 4.698 -0.576 25446 7282 1 19 . 1 1 38 38 SER CA C 38 61.062 61.062 59.297 1.765 25446 7283 1 19 . 1 1 39 39 LEU N N 39 122.521 122.521 123.602 -1.081 25446 7284 1 19 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.174 0.099 25446 7285 1 19 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.093 -0.723 25446 7286 1 19 . 1 1 39 39 LEU CB C 39 41.259 41.259 42.055 -0.796 25446 7287 1 19 . 1 1 39 39 LEU H H 39 7.675 7.675 7.639 0.036 25446 7288 1 19 . 1 1 40 40 GLY N N 40 111.971 111.971 106.557 5.414 25446 7289 1 19 . 1 1 40 40 GLY CA C 40 48.120 48.120 47.095 1.025 25446 7290 1 19 . 1 1 40 40 GLY H H 40 8.776 8.776 7.665 1.111 25446 7291 1 19 . 1 1 41 41 LEU N N 41 122.579 122.579 124.033 -1.454 25446 7292 1 19 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.110 -0.265 25446 7293 1 19 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.989 0.276 25446 7294 1 19 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.988 -0.409 25446 7295 1 19 . 1 1 41 41 LEU H H 41 8.551 8.551 8.613 -0.062 25446 7296 1 19 . 1 1 42 42 LEU N N 42 116.126 116.126 118.528 -2.402 25446 7297 1 19 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.896 0.113 25446 7298 1 19 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.185 -0.084 25446 7299 1 19 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.450 -0.503 25446 7300 1 19 . 1 1 42 42 LEU H H 42 7.213 7.213 7.647 -0.434 25446 7301 1 19 . 1 1 43 43 LYS N N 43 119.793 119.793 119.790 0.003 25446 7302 1 19 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.094 0.188 25446 7303 1 19 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.667 -0.097 25446 7304 1 19 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.384 0.153 25446 7305 1 19 . 1 1 43 43 LYS H H 43 7.664 7.664 7.392 0.272 25446 7306 1 19 . 1 1 44 44 VAL N N 44 121.147 121.147 120.914 0.233 25446 7307 1 19 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.151 -0.214 25446 7308 1 19 . 1 1 44 44 VAL CA C 44 66.818 66.818 66.397 0.421 25446 7309 1 19 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.500 0.059 25446 7310 1 19 . 1 1 44 44 VAL H H 44 8.278 8.278 8.769 -0.491 25446 7311 1 19 . 1 1 45 45 ILE N N 45 119.222 119.222 120.998 -1.776 25446 7312 1 19 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.792 -0.387 25446 7313 1 19 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.504 1.557 25446 7314 1 19 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.138 1.101 25446 7315 1 19 . 1 1 45 45 ILE H H 45 8.127 8.127 8.536 -0.409 25446 7316 1 19 . 1 1 46 46 ALA N N 46 121.011 121.011 122.678 -1.667 25446 7317 1 19 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.177 0.055 25446 7318 1 19 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.096 -0.136 25446 7319 1 19 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.423 -0.083 25446 7320 1 19 . 1 1 46 46 ALA H H 46 7.811 7.811 7.864 -0.053 25446 7321 1 19 . 1 1 47 47 TRP N N 47 121.158 121.158 121.143 0.015 25446 7322 1 19 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.456 -0.221 25446 7323 1 19 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.653 1.181 25446 7324 1 19 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.981 -1.761 25446 7325 1 19 . 1 1 47 47 TRP H H 47 8.094 8.094 8.253 -0.159 25446 7326 1 19 . 1 1 48 48 LEU N N 48 118.890 118.890 121.543 -2.653 25446 7327 1 19 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.697 0.876 25446 7328 1 19 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.460 -0.268 25446 7329 1 19 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.732 0.522 25446 7330 1 19 . 1 1 48 48 LEU H H 48 8.704 8.704 9.116 -0.412 25446 7331 1 19 . 1 1 49 49 GLU N N 49 118.917 118.917 118.245 0.672 25446 7332 1 19 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.008 0.038 25446 7333 1 19 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.081 0.627 25446 7334 1 19 . 1 1 49 49 GLU CB C 49 29.616 29.616 28.695 0.921 25446 7335 1 19 . 1 1 49 49 GLU H H 49 7.808 7.808 8.250 -0.442 25446 7336 1 19 . 1 1 50 50 ASP N N 50 119.614 119.614 120.120 -0.506 25446 7337 1 19 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.380 -0.140 25446 7338 1 19 . 1 1 50 50 ASP CA C 50 57.009 57.009 55.742 1.266 25446 7339 1 19 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.888 1.489 25446 7340 1 19 . 1 1 50 50 ASP H H 50 7.677 7.677 7.512 0.165 25446 7341 1 19 . 1 1 51 51 ARG N N 51 116.918 116.918 117.806 -0.888 25446 7342 1 19 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.804 -0.079 25446 7343 1 19 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.093 -1.805 25446 7344 1 19 . 1 1 51 51 ARG CB C 51 29.284 29.284 29.958 -0.674 25446 7345 1 19 . 1 1 51 51 ARG H H 51 8.876 8.876 7.801 1.075 25446 7346 1 19 . 1 1 52 52 PHE N N 52 112.278 112.278 113.855 -1.577 25446 7347 1 19 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.554 0.103 25446 7348 1 19 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.300 -1.250 25446 7349 1 19 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.662 1.090 25446 7350 1 19 . 1 1 52 52 PHE H H 52 7.330 7.330 7.648 -0.318 25446 7351 1 19 . 1 1 53 53 GLY N N 53 109.717 109.717 109.353 0.364 25446 7352 1 19 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.649 0.997 25446 7353 1 19 . 1 1 53 53 GLY H H 53 7.411 7.411 8.100 -0.689 25446 7354 1 19 . 1 1 54 54 ILE N N 54 119.148 119.148 120.945 -1.797 25446 7355 1 19 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.130 -0.187 25446 7356 1 19 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.514 0.086 25446 7357 1 19 . 1 1 54 54 ILE CB C 54 39.509 39.509 38.785 0.724 25446 7358 1 19 . 1 1 54 54 ILE H H 54 6.901 6.901 7.602 -0.701 25446 7359 1 19 . 1 1 55 55 ALA N N 55 129.774 129.774 130.476 -0.702 25446 7360 1 19 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.260 0.142 25446 7361 1 19 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.357 -0.709 25446 7362 1 19 . 1 1 55 55 ALA H H 55 8.538 8.538 8.279 0.259 25446 7363 1 19 . 1 1 56 56 ALA N N 56 126.034 126.034 125.143 0.891 25446 7364 1 19 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.138 0.135 25446 7365 1 19 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.409 0.203 25446 7366 1 19 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.826 0.296 25446 7367 1 19 . 1 1 56 56 ALA H H 56 8.620 8.620 8.491 0.129 25446 7368 1 19 . 1 1 57 57 ASP N N 57 115.649 115.649 115.192 0.457 25446 7369 1 19 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.394 0.082 25446 7370 1 19 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.737 0.433 25446 7371 1 19 . 1 1 57 57 ASP H H 57 8.321 8.321 8.266 0.055 25446 7372 1 19 . 1 1 58 58 ASP N N 58 118.298 118.298 116.230 2.068 25446 7373 1 19 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.231 0.437 25446 7374 1 19 . 1 1 58 58 ASP CA C 58 54.802 54.802 55.009 -0.207 25446 7375 1 19 . 1 1 58 58 ASP H H 58 7.971 7.971 8.492 -0.521 25446 7376 1 19 . 1 1 59 59 VAL N N 59 118.443 118.443 118.670 -0.227 25446 7377 1 19 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.205 0.004 25446 7378 1 19 . 1 1 59 59 VAL CA C 59 62.070 62.070 62.010 0.060 25446 7379 1 19 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.194 0.136 25446 7380 1 19 . 1 1 59 59 VAL H H 59 7.700 7.700 7.635 0.065 25446 7381 1 19 . 1 1 60 60 GLU N N 60 122.777 122.777 127.009 -4.232 25446 7382 1 19 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.616 -0.333 25446 7383 1 19 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.507 0.812 25446 7384 1 19 . 1 1 60 60 GLU CB C 60 29.877 29.877 31.439 -1.562 25446 7385 1 19 . 1 1 60 60 GLU H H 60 8.416 8.416 8.472 -0.056 25446 7386 1 19 . 1 1 61 61 LEU N N 61 124.910 124.910 124.395 0.515 25446 7387 1 19 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.457 -0.100 25446 7388 1 19 . 1 1 61 61 LEU CA C 61 55.162 55.162 53.736 1.426 25446 7389 1 19 . 1 1 61 61 LEU CB C 61 41.845 41.845 42.391 -0.545 25446 7390 1 19 . 1 1 61 61 LEU H H 61 8.249 8.249 8.455 -0.206 25446 7391 1 19 . 1 1 62 62 SER N N 62 118.228 118.228 117.874 0.354 25446 7392 1 19 . 1 1 62 62 SER HA H 62 4.816 4.816 4.867 -0.051 25446 7393 1 19 . 1 1 62 62 SER CB C 62 63.963 63.963 64.481 -0.518 25446 7394 1 19 . 1 1 62 62 SER H H 62 8.025 8.025 8.362 -0.337 25446 7395 1 19 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.645 -0.391 25446 7396 1 19 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.326 -0.432 25446 7397 1 19 . 1 1 64 64 GLU N N 64 116.457 116.457 118.044 -1.587 25446 7398 1 19 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.160 -0.293 25446 7399 1 19 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.185 -0.439 25446 7400 1 19 . 1 1 64 64 GLU CB C 64 28.707 28.707 28.970 -0.263 25446 7401 1 19 . 1 1 64 64 GLU H H 64 8.310 8.310 9.044 -0.734 25446 7402 1 19 . 1 1 65 65 HIS N N 65 114.998 114.998 119.882 -4.884 25446 7403 1 19 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.279 0.018 25446 7404 1 19 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.329 -0.964 25446 7405 1 19 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.734 -0.127 25446 7406 1 19 . 1 1 65 65 HIS H H 65 7.324 7.324 7.721 -0.397 25446 7407 1 19 . 1 1 66 66 PHE N N 66 115.965 115.965 116.277 -0.312 25446 7408 1 19 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.539 0.243 25446 7409 1 19 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.372 -2.706 25446 7410 1 19 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.149 0.835 25446 7411 1 19 . 1 1 66 66 PHE H H 66 7.245 7.245 7.625 -0.380 25446 7412 1 19 . 1 1 67 67 ARG N N 67 112.179 112.179 119.923 -7.744 25446 7413 1 19 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.035 0.049 25446 7414 1 19 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.241 0.050 25446 7415 1 19 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.761 0.876 25446 7416 1 19 . 1 1 67 67 ARG H H 67 6.632 6.632 7.568 -0.936 25446 7417 1 19 . 1 1 68 68 SER N N 68 109.181 109.181 107.957 1.224 25446 7418 1 19 . 1 1 68 68 SER HA H 68 4.985 4.985 4.724 0.261 25446 7419 1 19 . 1 1 68 68 SER CA C 68 55.664 55.664 56.760 -1.096 25446 7420 1 19 . 1 1 68 68 SER CB C 68 67.608 67.608 65.972 1.636 25446 7421 1 19 . 1 1 68 68 SER H H 68 8.139 8.139 7.292 0.847 25446 7422 1 19 . 1 1 69 69 ILE N N 69 122.526 122.526 117.534 4.992 25446 7423 1 19 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.829 -0.147 25446 7424 1 19 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.136 1.602 25446 7425 1 19 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.533 -0.545 25446 7426 1 19 . 1 1 69 69 ILE H H 69 9.770 9.770 8.923 0.847 25446 7427 1 19 . 1 1 70 70 ARG N N 70 118.671 118.671 120.006 -1.335 25446 7428 1 19 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.934 0.034 25446 7429 1 19 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.560 0.768 25446 7430 1 19 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.519 0.781 25446 7431 1 19 . 1 1 70 70 ARG H H 70 8.860 8.860 8.039 0.821 25446 7432 1 19 . 1 1 71 71 SER N N 71 117.722 117.722 114.889 2.833 25446 7433 1 19 . 1 1 71 71 SER HA H 71 4.346 4.346 4.136 0.210 25446 7434 1 19 . 1 1 71 71 SER CB C 71 62.962 62.962 62.691 0.271 25446 7435 1 19 . 1 1 71 71 SER H H 71 8.534 8.534 7.618 0.916 25446 7436 1 19 . 1 1 72 72 ILE N N 72 127.380 127.380 120.534 6.846 25446 7437 1 19 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.764 0.161 25446 7438 1 19 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.342 2.403 25446 7439 1 19 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.716 -0.355 25446 7440 1 19 . 1 1 72 72 ILE H H 72 8.789 8.789 7.202 1.587 25446 7441 1 19 . 1 1 73 73 ASP N N 73 121.443 121.443 120.573 0.870 25446 7442 1 19 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.299 -0.287 25446 7443 1 19 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.327 1.773 25446 7444 1 19 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.526 3.154 25446 7445 1 19 . 1 1 73 73 ASP H H 73 8.699 8.699 7.762 0.937 25446 7446 1 19 . 1 1 74 74 ALA N N 74 118.799 118.799 122.010 -3.211 25446 7447 1 19 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.078 -0.039 25446 7448 1 19 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.167 0.068 25446 7449 1 19 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.247 -0.298 25446 7450 1 19 . 1 1 74 74 ALA H H 74 8.042 8.042 7.524 0.518 25446 7451 1 19 . 1 1 75 75 PHE N N 75 121.125 121.125 119.596 1.529 25446 7452 1 19 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.141 -0.096 25446 7453 1 19 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.562 -0.611 25446 7454 1 19 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.537 -0.666 25446 7455 1 19 . 1 1 75 75 PHE H H 75 8.369 8.369 7.693 0.676 25446 7456 1 19 . 1 1 76 76 VAL N N 76 120.715 120.715 119.062 1.653 25446 7457 1 19 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.542 -0.592 25446 7458 1 19 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.713 0.116 25446 7459 1 19 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.172 0.055 25446 7460 1 19 . 1 1 76 76 VAL H H 76 8.555 8.555 8.358 0.197 25446 7461 1 19 . 1 1 77 77 VAL N N 77 121.286 121.286 119.075 2.211 25446 7462 1 19 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.833 -0.340 25446 7463 1 19 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.507 1.271 25446 7464 1 19 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.623 0.243 25446 7465 1 19 . 1 1 77 77 VAL H H 77 8.770 8.770 8.525 0.245 25446 7466 1 19 . 1 1 78 78 GLY N N 78 106.349 106.349 105.242 1.107 25446 7467 1 19 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.330 0.302 25446 7468 1 19 . 1 1 78 78 GLY H H 78 7.976 7.976 7.750 0.226 25446 7469 1 19 . 1 1 79 79 ALA N N 79 120.998 120.998 122.039 -1.041 25446 7470 1 19 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.469 -0.262 25446 7471 1 19 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.414 0.382 25446 7472 1 19 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.338 -1.073 25446 7473 1 19 . 1 1 79 79 ALA H H 79 7.647 7.647 7.178 0.469 25446 7474 1 19 . 1 1 80 80 THR N N 80 107.402 107.402 115.105 -7.703 25446 7475 1 19 . 1 1 80 80 THR HA H 80 4.454 4.454 4.347 0.107 25446 7476 1 19 . 1 1 80 80 THR CA C 80 61.337 61.337 61.701 -0.364 25446 7477 1 19 . 1 1 80 80 THR CB C 80 70.703 70.703 70.835 -0.132 25446 7478 1 19 . 1 1 80 80 THR H H 80 7.469 7.469 8.186 -0.717 25446 7479 1 19 . 1 1 81 81 THR N N 81 119.746 119.746 120.686 -0.940 25446 7480 1 19 . 1 1 81 81 THR HA H 81 4.668 4.668 4.844 -0.176 25446 7481 1 19 . 1 1 81 81 THR CA C 81 60.448 60.448 58.032 2.416 25446 7482 1 19 . 1 1 81 81 THR CB C 81 70.062 70.062 69.165 0.897 25446 7483 1 19 . 1 1 81 81 THR H H 81 7.684 7.684 8.282 -0.598 25446 7484 1 19 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.460 0.239 25446 7485 1 19 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.900 -0.290 25446 7486 1 19 . 1 1 82 82 PRO CB C 82 31.004 31.004 30.534 0.470 25446 7487 1 19 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.440 0.033 25446 7488 1 19 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.956 -0.145 25446 7489 1 19 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.224 -0.142 25446 7490 1 19 . 1 1 84 84 VAL N N 84 120.611 120.611 121.293 -0.682 25446 7491 1 19 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.142 -0.095 25446 7492 1 19 . 1 1 84 84 VAL CA C 84 62.313 62.313 62.903 -0.590 25446 7493 1 19 . 1 1 84 84 VAL CB C 84 32.872 32.872 31.923 0.949 25446 7494 1 19 . 1 1 84 84 VAL H H 84 8.240 8.240 8.488 -0.248 25446 7495 1 19 . 1 1 85 85 GLU N N 85 125.076 125.076 127.777 -2.701 25446 7496 1 19 . 1 1 85 85 GLU H H 85 8.434 8.434 8.609 -0.175 25446 7497 1 19 . 1 1 86 86 ALA N N 86 126.280 126.280 124.166 2.114 25446 7498 1 19 . 1 1 86 86 ALA CA C 86 52.288 52.288 52.318 -0.030 25446 7499 1 19 . 1 1 86 86 ALA H H 86 8.340 8.340 8.514 -0.174 25446 7500 1 19 . 1 1 87 87 LYS N N 87 121.709 121.709 122.878 -1.169 25446 7501 1 19 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.602 0.602 25446 7502 1 19 . 1 1 87 87 LYS H H 87 8.334 8.334 8.491 -0.157 25446 7503 1 19 . 1 1 88 88 LEU N N 88 125.379 125.379 119.309 6.070 25446 7504 1 19 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.480 -4.480 25446 7505 1 19 . 1 1 88 88 LEU H H 88 8.435 8.435 7.634 0.801 25446 7506 1 20 . 1 1 2 2 GLN N N 2 123.771 123.771 124.094 -0.323 25446 7507 1 20 . 1 1 2 2 GLN HA H 2 4.130 4.130 3.929 0.201 25446 7508 1 20 . 1 1 2 2 GLN CA C 2 57.549 57.549 57.516 0.033 25446 7509 1 20 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.136 1.026 25446 7510 1 20 . 1 1 2 2 GLN H H 2 9.634 9.634 8.645 0.989 25446 7511 1 20 . 1 1 3 3 HIS N N 3 119.013 119.013 112.323 6.690 25446 7512 1 20 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.609 0.575 25446 7513 1 20 . 1 1 3 3 HIS CA C 3 55.003 55.003 55.828 -0.825 25446 7514 1 20 . 1 1 3 3 HIS CB C 3 31.088 31.088 30.973 0.115 25446 7515 1 20 . 1 1 3 3 HIS H H 3 9.946 9.946 8.219 1.727 25446 7516 1 20 . 1 1 4 4 ALA N N 4 122.550 122.550 123.690 -1.140 25446 7517 1 20 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.088 -0.197 25446 7518 1 20 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.375 1.185 25446 7519 1 20 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.622 0.170 25446 7520 1 20 . 1 1 4 4 ALA H H 4 7.524 7.524 8.520 -0.996 25446 7521 1 20 . 1 1 5 5 SER N N 5 112.310 112.310 113.244 -0.934 25446 7522 1 20 . 1 1 5 5 SER HA H 5 4.295 4.295 4.146 0.149 25446 7523 1 20 . 1 1 5 5 SER CA C 5 62.089 62.089 61.404 0.685 25446 7524 1 20 . 1 1 5 5 SER CB C 5 62.421 62.421 62.611 -0.190 25446 7525 1 20 . 1 1 5 5 SER H H 5 8.772 8.772 8.326 0.446 25446 7526 1 20 . 1 1 6 6 VAL N N 6 122.625 122.625 123.013 -0.388 25446 7527 1 20 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.802 0.309 25446 7528 1 20 . 1 1 6 6 VAL CA C 6 65.708 65.708 65.969 -0.261 25446 7529 1 20 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.783 0.957 25446 7530 1 20 . 1 1 6 6 VAL H H 6 7.657 7.657 7.315 0.342 25446 7531 1 20 . 1 1 7 7 ILE N N 7 121.536 121.536 120.975 0.561 25446 7532 1 20 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.647 0.579 25446 7533 1 20 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.961 -0.668 25446 7534 1 20 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.428 1.203 25446 7535 1 20 . 1 1 7 7 ILE H H 7 8.526 8.526 7.794 0.732 25446 7536 1 20 . 1 1 8 8 ALA N N 8 121.229 121.229 121.472 -0.243 25446 7537 1 20 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.017 -0.121 25446 7538 1 20 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.529 0.713 25446 7539 1 20 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.022 0.709 25446 7540 1 20 . 1 1 8 8 ALA H H 8 8.946 8.946 8.582 0.364 25446 7541 1 20 . 1 1 9 9 GLN N N 9 114.998 114.998 119.260 -4.262 25446 7542 1 20 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.045 -0.172 25446 7543 1 20 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.848 0.111 25446 7544 1 20 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.846 -1.033 25446 7545 1 20 . 1 1 9 9 GLN H H 9 7.731 7.731 8.106 -0.375 25446 7546 1 20 . 1 1 10 10 PHE N N 10 120.075 120.075 121.812 -1.737 25446 7547 1 20 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.215 -0.137 25446 7548 1 20 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.731 -0.878 25446 7549 1 20 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.373 -0.550 25446 7550 1 20 . 1 1 10 10 PHE H H 10 7.299 7.299 8.892 -1.593 25446 7551 1 20 . 1 1 11 11 VAL N N 11 117.458 117.458 119.235 -1.777 25446 7552 1 20 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.825 -0.518 25446 7553 1 20 . 1 1 11 11 VAL CA C 11 66.444 66.444 65.722 0.722 25446 7554 1 20 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.298 -0.610 25446 7555 1 20 . 1 1 11 11 VAL H H 11 8.363 8.363 8.520 -0.157 25446 7556 1 20 . 1 1 12 12 VAL N N 12 117.722 117.722 119.423 -1.701 25446 7557 1 20 . 1 1 12 12 VAL HA H 12 3.747 3.747 2.629 1.118 25446 7558 1 20 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.334 -0.415 25446 7559 1 20 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.258 0.010 25446 7560 1 20 . 1 1 12 12 VAL H H 12 8.289 8.289 8.344 -0.055 25446 7561 1 20 . 1 1 13 13 GLU N N 13 117.827 117.827 119.633 -1.806 25446 7562 1 20 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.765 -0.023 25446 7563 1 20 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.332 -0.139 25446 7564 1 20 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.141 0.353 25446 7565 1 20 . 1 1 13 13 GLU H H 13 7.758 7.758 8.195 -0.437 25446 7566 1 20 . 1 1 14 14 GLU N N 14 113.425 113.425 119.585 -6.160 25446 7567 1 20 . 1 1 14 14 GLU HA H 14 3.772 3.772 4.093 -0.321 25446 7568 1 20 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.371 -1.764 25446 7569 1 20 . 1 1 14 14 GLU CB C 14 29.499 29.499 30.263 -0.764 25446 7570 1 20 . 1 1 14 14 GLU H H 14 7.604 7.604 7.644 -0.040 25446 7571 1 20 . 1 1 15 15 PHE N N 15 114.097 114.097 114.504 -0.407 25446 7572 1 20 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.774 0.167 25446 7573 1 20 . 1 1 15 15 PHE CA C 15 57.993 57.993 55.355 2.638 25446 7574 1 20 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.193 2.799 25446 7575 1 20 . 1 1 15 15 PHE H H 15 7.916 7.916 7.402 0.514 25446 7576 1 20 . 1 1 16 16 LEU N N 16 121.405 121.405 121.433 -0.028 25446 7577 1 20 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.404 0.563 25446 7578 1 20 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.967 -0.650 25446 7579 1 20 . 1 1 16 16 LEU CB C 16 44.735 44.735 41.558 3.177 25446 7580 1 20 . 1 1 16 16 LEU H H 16 8.046 8.046 7.329 0.717 25446 7581 1 20 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.461 -0.087 25446 7582 1 20 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.356 2.309 25446 7583 1 20 . 1 1 18 18 ASP N N 18 116.413 116.413 118.333 -1.920 25446 7584 1 20 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.566 0.018 25446 7585 1 20 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.508 0.082 25446 7586 1 20 . 1 1 18 18 ASP H H 18 8.415 8.415 8.446 -0.031 25446 7587 1 20 . 1 1 19 19 VAL N N 19 122.077 122.077 119.046 3.031 25446 7588 1 20 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.080 0.033 25446 7589 1 20 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.723 0.624 25446 7590 1 20 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.037 -0.650 25446 7591 1 20 . 1 1 19 19 VAL H H 19 7.771 7.771 7.340 0.431 25446 7592 1 20 . 1 1 20 20 ALA N N 20 129.197 129.197 129.796 -0.599 25446 7593 1 20 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.497 0.091 25446 7594 1 20 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.261 -0.033 25446 7595 1 20 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.285 -0.862 25446 7596 1 20 . 1 1 20 20 ALA H H 20 8.765 8.765 8.271 0.494 25446 7597 1 20 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.073 0.001 25446 7598 1 20 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.612 0.529 25446 7599 1 20 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.666 -0.328 25446 7600 1 20 . 1 1 22 22 ALA N N 22 115.949 115.949 117.594 -1.645 25446 7601 1 20 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.168 -0.051 25446 7602 1 20 . 1 1 22 22 ALA CA C 22 53.783 53.783 54.098 -0.315 25446 7603 1 20 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.442 0.310 25446 7604 1 20 . 1 1 22 22 ALA H H 22 8.074 8.074 7.917 0.157 25446 7605 1 20 . 1 1 23 23 ASP N N 23 115.451 115.451 117.024 -1.573 25446 7606 1 20 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.836 -0.184 25446 7607 1 20 . 1 1 23 23 ASP CA C 23 54.444 54.444 54.028 0.416 25446 7608 1 20 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.605 -0.466 25446 7609 1 20 . 1 1 23 23 ASP H H 23 8.023 8.023 8.342 -0.319 25446 7610 1 20 . 1 1 24 24 VAL N N 24 121.382 121.382 120.723 0.659 25446 7611 1 20 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.088 -0.260 25446 7612 1 20 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.614 0.697 25446 7613 1 20 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.162 -1.298 25446 7614 1 20 . 1 1 24 24 VAL H H 24 7.072 7.072 7.414 -0.342 25446 7615 1 20 . 1 1 25 25 ASP N N 25 129.258 129.258 126.700 2.558 25446 7616 1 20 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.584 -0.012 25446 7617 1 20 . 1 1 25 25 ASP CA C 25 54.470 54.470 53.973 0.497 25446 7618 1 20 . 1 1 25 25 ASP H H 25 8.499 8.499 8.761 -0.262 25446 7619 1 20 . 1 1 26 26 VAL N N 26 121.736 121.736 124.702 -2.966 25446 7620 1 20 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.911 0.197 25446 7621 1 20 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.614 0.862 25446 7622 1 20 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.829 -0.612 25446 7623 1 20 . 1 1 26 26 VAL H H 26 8.566 8.566 8.124 0.442 25446 7624 1 20 . 1 1 27 27 ASP N N 27 116.233 116.233 118.878 -2.645 25446 7625 1 20 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.712 0.442 25446 7626 1 20 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.138 -0.015 25446 7627 1 20 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.709 1.883 25446 7628 1 20 . 1 1 27 27 ASP H H 27 8.638 8.638 7.890 0.748 25446 7629 1 20 . 1 1 28 28 LEU N N 28 125.046 125.046 122.906 2.140 25446 7630 1 20 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.424 -0.398 25446 7631 1 20 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.512 1.355 25446 7632 1 20 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.708 -0.300 25446 7633 1 20 . 1 1 28 28 LEU H H 28 7.389 7.389 7.571 -0.182 25446 7634 1 20 . 1 1 29 29 ASP N N 29 125.807 125.807 125.050 0.757 25446 7635 1 20 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.704 0.127 25446 7636 1 20 . 1 1 29 29 ASP H H 29 8.731 8.731 8.517 0.214 25446 7637 1 20 . 1 1 30 30 LEU N N 30 130.007 130.007 123.478 6.529 25446 7638 1 20 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.060 -0.162 25446 7639 1 20 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.964 -0.545 25446 7640 1 20 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.347 0.776 25446 7641 1 20 . 1 1 30 30 LEU H H 30 9.744 9.744 8.570 1.174 25446 7642 1 20 . 1 1 31 31 VAL N N 31 121.093 121.093 122.109 -1.016 25446 7643 1 20 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.511 0.715 25446 7644 1 20 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.594 -2.203 25446 7645 1 20 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.433 0.748 25446 7646 1 20 . 1 1 31 31 VAL H H 31 8.166 8.166 7.900 0.266 25446 7647 1 20 . 1 1 32 32 ASP N N 32 124.657 124.657 119.419 5.238 25446 7648 1 20 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.357 0.007 25446 7649 1 20 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.924 0.195 25446 7650 1 20 . 1 1 32 32 ASP CB C 32 40.760 40.760 39.992 0.768 25446 7651 1 20 . 1 1 32 32 ASP H H 32 9.365 9.365 8.033 1.332 25446 7652 1 20 . 1 1 33 33 ASN N N 33 111.260 111.260 117.724 -6.464 25446 7653 1 20 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.490 0.250 25446 7654 1 20 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.778 1.034 25446 7655 1 20 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.559 1.547 25446 7656 1 20 . 1 1 33 33 ASN H H 33 7.423 7.423 7.950 -0.527 25446 7657 1 20 . 1 1 34 34 GLY N N 34 106.935 106.935 109.685 -2.750 25446 7658 1 20 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.144 -0.520 25446 7659 1 20 . 1 1 34 34 GLY H H 34 7.648 7.648 8.593 -0.945 25446 7660 1 20 . 1 1 35 35 VAL N N 35 120.307 120.307 121.559 -1.252 25446 7661 1 20 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.624 0.156 25446 7662 1 20 . 1 1 35 35 VAL CA C 35 65.025 65.025 64.917 0.108 25446 7663 1 20 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.442 0.347 25446 7664 1 20 . 1 1 35 35 VAL H H 35 7.838 7.838 7.397 0.441 25446 7665 1 20 . 1 1 36 36 ILE N N 36 116.154 116.154 119.252 -3.098 25446 7666 1 20 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.792 -0.033 25446 7667 1 20 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.430 -2.854 25446 7668 1 20 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.502 1.723 25446 7669 1 20 . 1 1 36 36 ILE H H 36 7.337 7.337 8.638 -1.301 25446 7670 1 20 . 1 1 37 37 ASP N N 37 126.730 126.730 120.461 6.269 25446 7671 1 20 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.940 0.789 25446 7672 1 20 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.655 -5.018 25446 7673 1 20 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.120 1.131 25446 7674 1 20 . 1 1 37 37 ASP H H 37 7.921 7.921 7.993 -0.072 25446 7675 1 20 . 1 1 38 38 SER N N 38 113.176 113.176 114.308 -1.132 25446 7676 1 20 . 1 1 38 38 SER HA H 38 4.122 4.122 4.525 -0.403 25446 7677 1 20 . 1 1 38 38 SER CA C 38 61.062 61.062 59.591 1.471 25446 7678 1 20 . 1 1 39 39 LEU N N 39 122.521 122.521 123.866 -1.345 25446 7679 1 20 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.149 0.124 25446 7680 1 20 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.018 -0.648 25446 7681 1 20 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.986 -0.727 25446 7682 1 20 . 1 1 39 39 LEU H H 39 7.675 7.675 7.632 0.043 25446 7683 1 20 . 1 1 40 40 GLY N N 40 111.971 111.971 106.567 5.404 25446 7684 1 20 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.944 1.176 25446 7685 1 20 . 1 1 40 40 GLY H H 40 8.776 8.776 7.586 1.190 25446 7686 1 20 . 1 1 41 41 LEU N N 41 122.579 122.579 123.803 -1.224 25446 7687 1 20 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.096 -0.251 25446 7688 1 20 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.969 0.296 25446 7689 1 20 . 1 1 41 41 LEU CB C 41 41.579 41.579 42.087 -0.508 25446 7690 1 20 . 1 1 41 41 LEU H H 41 8.551 8.551 8.692 -0.141 25446 7691 1 20 . 1 1 42 42 LEU N N 42 116.126 116.126 119.467 -3.341 25446 7692 1 20 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.946 0.063 25446 7693 1 20 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.502 -0.401 25446 7694 1 20 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.744 -0.797 25446 7695 1 20 . 1 1 42 42 LEU H H 42 7.213 7.213 7.835 -0.622 25446 7696 1 20 . 1 1 43 43 LYS N N 43 119.793 119.793 119.340 0.453 25446 7697 1 20 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.068 0.214 25446 7698 1 20 . 1 1 43 43 LYS CA C 43 59.570 59.570 60.037 -0.467 25446 7699 1 20 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.464 0.073 25446 7700 1 20 . 1 1 43 43 LYS H H 43 7.664 7.664 7.449 0.215 25446 7701 1 20 . 1 1 44 44 VAL N N 44 121.147 121.147 121.307 -0.160 25446 7702 1 20 . 1 1 44 44 VAL HA H 44 3.937 3.937 3.998 -0.061 25446 7703 1 20 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.166 -0.348 25446 7704 1 20 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.998 -0.439 25446 7705 1 20 . 1 1 44 44 VAL H H 44 8.278 8.278 8.591 -0.313 25446 7706 1 20 . 1 1 45 45 ILE N N 45 119.222 119.222 120.522 -1.300 25446 7707 1 20 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.808 -0.403 25446 7708 1 20 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.218 1.843 25446 7709 1 20 . 1 1 45 45 ILE CB C 45 38.239 38.239 37.178 1.061 25446 7710 1 20 . 1 1 45 45 ILE H H 45 8.127 8.127 8.673 -0.546 25446 7711 1 20 . 1 1 46 46 ALA N N 46 121.011 121.011 123.264 -2.253 25446 7712 1 20 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.202 0.030 25446 7713 1 20 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.023 -0.063 25446 7714 1 20 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.645 -0.305 25446 7715 1 20 . 1 1 46 46 ALA H H 46 7.811 7.811 8.013 -0.202 25446 7716 1 20 . 1 1 47 47 TRP N N 47 121.158 121.158 121.044 0.114 25446 7717 1 20 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.440 -0.205 25446 7718 1 20 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.425 1.409 25446 7719 1 20 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.956 -1.736 25446 7720 1 20 . 1 1 47 47 TRP H H 47 8.094 8.094 8.473 -0.379 25446 7721 1 20 . 1 1 48 48 LEU N N 48 118.890 118.890 121.993 -3.103 25446 7722 1 20 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.768 0.805 25446 7723 1 20 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.614 -0.422 25446 7724 1 20 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.703 0.551 25446 7725 1 20 . 1 1 48 48 LEU H H 48 8.704 8.704 9.170 -0.466 25446 7726 1 20 . 1 1 49 49 GLU N N 49 118.917 118.917 119.430 -0.513 25446 7727 1 20 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.113 -0.067 25446 7728 1 20 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.419 0.289 25446 7729 1 20 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.185 0.431 25446 7730 1 20 . 1 1 49 49 GLU H H 49 7.808 7.808 8.110 -0.302 25446 7731 1 20 . 1 1 50 50 ASP N N 50 119.614 119.614 119.624 -0.010 25446 7732 1 20 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.394 -0.154 25446 7733 1 20 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.204 0.805 25446 7734 1 20 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.856 1.521 25446 7735 1 20 . 1 1 50 50 ASP H H 50 7.677 7.677 7.450 0.227 25446 7736 1 20 . 1 1 51 51 ARG N N 51 116.918 116.918 118.212 -1.294 25446 7737 1 20 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.845 -0.120 25446 7738 1 20 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.435 -2.147 25446 7739 1 20 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.116 -0.832 25446 7740 1 20 . 1 1 51 51 ARG H H 51 8.876 8.876 7.751 1.125 25446 7741 1 20 . 1 1 52 52 PHE N N 52 112.278 112.278 114.101 -1.823 25446 7742 1 20 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.528 0.129 25446 7743 1 20 . 1 1 52 52 PHE CA C 52 57.050 57.050 57.975 -0.925 25446 7744 1 20 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.623 1.129 25446 7745 1 20 . 1 1 52 52 PHE H H 52 7.330 7.330 7.783 -0.453 25446 7746 1 20 . 1 1 53 53 GLY N N 53 109.717 109.717 109.466 0.251 25446 7747 1 20 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.559 1.087 25446 7748 1 20 . 1 1 53 53 GLY H H 53 7.411 7.411 8.169 -0.758 25446 7749 1 20 . 1 1 54 54 ILE N N 54 119.148 119.148 120.990 -1.842 25446 7750 1 20 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.181 -0.238 25446 7751 1 20 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.041 0.559 25446 7752 1 20 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.436 0.073 25446 7753 1 20 . 1 1 54 54 ILE H H 54 6.901 6.901 7.415 -0.514 25446 7754 1 20 . 1 1 55 55 ALA N N 55 129.774 129.774 130.012 -0.238 25446 7755 1 20 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.220 0.182 25446 7756 1 20 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.605 -0.957 25446 7757 1 20 . 1 1 55 55 ALA H H 55 8.538 8.538 8.362 0.176 25446 7758 1 20 . 1 1 56 56 ALA N N 56 126.034 126.034 123.404 2.630 25446 7759 1 20 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.125 0.148 25446 7760 1 20 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.524 0.088 25446 7761 1 20 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.886 0.236 25446 7762 1 20 . 1 1 56 56 ALA H H 56 8.620 8.620 8.353 0.267 25446 7763 1 20 . 1 1 57 57 ASP N N 57 115.649 115.649 115.950 -0.301 25446 7764 1 20 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.437 0.039 25446 7765 1 20 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.583 0.587 25446 7766 1 20 . 1 1 57 57 ASP H H 57 8.321 8.321 8.332 -0.011 25446 7767 1 20 . 1 1 58 58 ASP N N 58 118.298 118.298 118.829 -0.531 25446 7768 1 20 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.569 0.099 25446 7769 1 20 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.158 0.644 25446 7770 1 20 . 1 1 58 58 ASP H H 58 7.971 7.971 8.281 -0.310 25446 7771 1 20 . 1 1 59 59 VAL N N 59 118.443 118.443 123.565 -5.122 25446 7772 1 20 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.223 -0.014 25446 7773 1 20 . 1 1 59 59 VAL CA C 59 62.070 62.070 62.821 -0.751 25446 7774 1 20 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.330 0.000 25446 7775 1 20 . 1 1 59 59 VAL H H 59 7.700 7.700 8.373 -0.673 25446 7776 1 20 . 1 1 60 60 GLU N N 60 122.777 122.777 120.622 2.155 25446 7777 1 20 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.423 -0.140 25446 7778 1 20 . 1 1 60 60 GLU CA C 60 56.318 56.318 56.610 -0.292 25446 7779 1 20 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.481 -0.604 25446 7780 1 20 . 1 1 60 60 GLU H H 60 8.416 8.416 7.996 0.420 25446 7781 1 20 . 1 1 61 61 LEU N N 61 124.910 124.910 123.813 1.097 25446 7782 1 20 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.665 -0.308 25446 7783 1 20 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.835 0.327 25446 7784 1 20 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.118 -1.273 25446 7785 1 20 . 1 1 61 61 LEU H H 61 8.249 8.249 8.486 -0.237 25446 7786 1 20 . 1 1 62 62 SER N N 62 118.228 118.228 117.268 0.960 25446 7787 1 20 . 1 1 62 62 SER HA H 62 4.816 4.816 5.004 -0.188 25446 7788 1 20 . 1 1 62 62 SER CB C 62 63.963 63.963 64.973 -1.010 25446 7789 1 20 . 1 1 62 62 SER H H 62 8.025 8.025 8.271 -0.246 25446 7790 1 20 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.638 -0.384 25446 7791 1 20 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.036 -0.142 25446 7792 1 20 . 1 1 64 64 GLU N N 64 116.457 116.457 118.481 -2.024 25446 7793 1 20 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.139 -0.272 25446 7794 1 20 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.351 -0.605 25446 7795 1 20 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.010 -0.303 25446 7796 1 20 . 1 1 64 64 GLU H H 64 8.310 8.310 8.993 -0.683 25446 7797 1 20 . 1 1 65 65 HIS N N 65 114.998 114.998 119.751 -4.753 25446 7798 1 20 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.196 0.101 25446 7799 1 20 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.327 -0.962 25446 7800 1 20 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.529 0.078 25446 7801 1 20 . 1 1 65 65 HIS H H 65 7.324 7.324 7.850 -0.526 25446 7802 1 20 . 1 1 66 66 PHE N N 66 115.965 115.965 115.654 0.311 25446 7803 1 20 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.504 0.278 25446 7804 1 20 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.242 -2.576 25446 7805 1 20 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.361 0.623 25446 7806 1 20 . 1 1 66 66 PHE H H 66 7.245 7.245 7.697 -0.452 25446 7807 1 20 . 1 1 67 67 ARG N N 67 112.179 112.179 120.602 -8.423 25446 7808 1 20 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.033 0.051 25446 7809 1 20 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.378 -0.087 25446 7810 1 20 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.705 0.932 25446 7811 1 20 . 1 1 67 67 ARG H H 67 6.632 6.632 7.531 -0.899 25446 7812 1 20 . 1 1 68 68 SER N N 68 109.181 109.181 108.650 0.531 25446 7813 1 20 . 1 1 68 68 SER HA H 68 4.985 4.985 4.681 0.304 25446 7814 1 20 . 1 1 68 68 SER CA C 68 55.664 55.664 56.673 -1.009 25446 7815 1 20 . 1 1 68 68 SER CB C 68 67.608 67.608 65.792 1.816 25446 7816 1 20 . 1 1 68 68 SER H H 68 8.139 8.139 7.362 0.777 25446 7817 1 20 . 1 1 69 69 ILE N N 69 122.526 122.526 123.833 -1.307 25446 7818 1 20 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.744 -0.062 25446 7819 1 20 . 1 1 69 69 ILE CA C 69 66.738 66.738 64.952 1.786 25446 7820 1 20 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.838 -0.850 25446 7821 1 20 . 1 1 69 69 ILE H H 69 9.770 9.770 8.870 0.900 25446 7822 1 20 . 1 1 70 70 ARG N N 70 118.671 118.671 120.428 -1.757 25446 7823 1 20 . 1 1 70 70 ARG HA H 70 3.968 3.968 3.911 0.057 25446 7824 1 20 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.928 0.401 25446 7825 1 20 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.744 0.556 25446 7826 1 20 . 1 1 70 70 ARG H H 70 8.860 8.860 8.508 0.352 25446 7827 1 20 . 1 1 71 71 SER N N 71 117.722 117.722 115.586 2.136 25446 7828 1 20 . 1 1 71 71 SER HA H 71 4.346 4.346 4.142 0.204 25446 7829 1 20 . 1 1 71 71 SER CB C 71 62.962 62.962 62.825 0.137 25446 7830 1 20 . 1 1 71 71 SER H H 71 8.534 8.534 7.625 0.909 25446 7831 1 20 . 1 1 72 72 ILE N N 72 127.380 127.380 121.767 5.613 25446 7832 1 20 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.619 0.306 25446 7833 1 20 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.967 1.778 25446 7834 1 20 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.588 -0.227 25446 7835 1 20 . 1 1 72 72 ILE H H 72 8.789 8.789 7.033 1.756 25446 7836 1 20 . 1 1 73 73 ASP N N 73 121.443 121.443 120.979 0.464 25446 7837 1 20 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.261 -0.249 25446 7838 1 20 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.399 1.701 25446 7839 1 20 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.616 3.064 25446 7840 1 20 . 1 1 73 73 ASP H H 73 8.699 8.699 8.153 0.546 25446 7841 1 20 . 1 1 74 74 ALA N N 74 118.799 118.799 121.827 -3.028 25446 7842 1 20 . 1 1 74 74 ALA HA H 74 4.039 4.039 3.985 0.054 25446 7843 1 20 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.356 -0.121 25446 7844 1 20 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.433 -0.484 25446 7845 1 20 . 1 1 74 74 ALA H H 74 8.042 8.042 7.928 0.114 25446 7846 1 20 . 1 1 75 75 PHE N N 75 121.125 121.125 119.796 1.329 25446 7847 1 20 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.140 -0.095 25446 7848 1 20 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.661 -0.710 25446 7849 1 20 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.495 -0.624 25446 7850 1 20 . 1 1 75 75 PHE H H 75 8.369 8.369 7.626 0.743 25446 7851 1 20 . 1 1 76 76 VAL N N 76 120.715 120.715 118.982 1.733 25446 7852 1 20 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.589 -0.639 25446 7853 1 20 . 1 1 76 76 VAL CA C 76 66.829 66.829 67.083 -0.254 25446 7854 1 20 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.399 -0.172 25446 7855 1 20 . 1 1 76 76 VAL H H 76 8.555 8.555 8.220 0.335 25446 7856 1 20 . 1 1 77 77 VAL N N 77 121.286 121.286 119.188 2.098 25446 7857 1 20 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.645 -0.152 25446 7858 1 20 . 1 1 77 77 VAL CA C 77 66.778 66.778 66.231 0.547 25446 7859 1 20 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.072 0.794 25446 7860 1 20 . 1 1 77 77 VAL H H 77 8.770 8.770 8.552 0.218 25446 7861 1 20 . 1 1 78 78 GLY N N 78 106.349 106.349 105.620 0.729 25446 7862 1 20 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.511 0.121 25446 7863 1 20 . 1 1 78 78 GLY H H 78 7.976 7.976 8.210 -0.234 25446 7864 1 20 . 1 1 79 79 ALA N N 79 120.998 120.998 121.638 -0.640 25446 7865 1 20 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.404 -0.197 25446 7866 1 20 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.476 0.320 25446 7867 1 20 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.696 -1.430 25446 7868 1 20 . 1 1 79 79 ALA H H 79 7.647 7.647 7.241 0.406 25446 7869 1 20 . 1 1 80 80 THR N N 80 107.402 107.402 111.737 -4.335 25446 7870 1 20 . 1 1 80 80 THR HA H 80 4.454 4.454 4.361 0.093 25446 7871 1 20 . 1 1 80 80 THR CA C 80 61.337 61.337 61.769 -0.432 25446 7872 1 20 . 1 1 80 80 THR CB C 80 70.703 70.703 69.374 1.329 25446 7873 1 20 . 1 1 80 80 THR H H 80 7.469 7.469 8.184 -0.715 25446 7874 1 20 . 1 1 81 81 THR N N 81 119.746 119.746 117.483 2.263 25446 7875 1 20 . 1 1 81 81 THR HA H 81 4.668 4.668 4.628 0.040 25446 7876 1 20 . 1 1 81 81 THR CA C 81 60.448 60.448 58.952 1.496 25446 7877 1 20 . 1 1 81 81 THR CB C 81 70.062 70.062 69.274 0.788 25446 7878 1 20 . 1 1 81 81 THR H H 81 7.684 7.684 7.880 -0.196 25446 7879 1 20 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.827 -0.128 25446 7880 1 20 . 1 1 82 82 PRO CA C 82 61.610 61.610 60.693 0.917 25446 7881 1 20 . 1 1 82 82 PRO CB C 82 31.004 31.004 32.199 -1.195 25446 7882 1 20 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.495 -0.022 25446 7883 1 20 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.419 0.392 25446 7884 1 20 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.910 -0.829 25446 7885 1 20 . 1 1 84 84 VAL N N 84 120.611 120.611 121.932 -1.321 25446 7886 1 20 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.338 -0.291 25446 7887 1 20 . 1 1 84 84 VAL CA C 84 62.313 62.313 60.387 1.926 25446 7888 1 20 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.797 -1.925 25446 7889 1 20 . 1 1 84 84 VAL H H 84 8.240 8.240 8.199 0.041 25446 7890 1 20 . 1 1 85 85 GLU N N 85 125.076 125.076 125.237 -0.161 25446 7891 1 20 . 1 1 85 85 GLU H H 85 8.434 8.434 8.727 -0.293 25446 7892 1 20 . 1 1 86 86 ALA N N 86 126.280 126.280 117.873 8.407 25446 7893 1 20 . 1 1 86 86 ALA CA C 86 52.288 52.288 50.748 1.540 25446 7894 1 20 . 1 1 86 86 ALA H H 86 8.340 8.340 7.208 1.132 25446 7895 1 20 . 1 1 87 87 LYS N N 87 121.709 121.709 120.195 1.514 25446 7896 1 20 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.341 0.863 25446 7897 1 20 . 1 1 87 87 LYS H H 87 8.334 8.334 9.257 -0.923 25446 7898 1 20 . 1 1 88 88 LEU N N 88 125.379 125.379 120.009 5.370 25446 7899 1 20 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.257 -4.257 25446 7900 1 20 . 1 1 88 88 LEU H H 88 8.435 8.435 7.738 0.697 25446 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 82 2.747 0.320 2.745 25446 2 1 1 "Average Difference" HA 80 0.575 0.054 0.576 25446 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25446 4 1 1 "Average Difference" CA 80 1.212 -0.014 1.220 25446 5 1 1 "Average Difference" CB 72 1.132 -0.173 1.127 25446 6 1 1 "Average Difference" HN 81 0.637 -0.066 0.637 25446 7 1 2 "Average Difference" N 82 2.689 0.127 2.703 25446 8 1 2 "Average Difference" HA 80 0.576 0.034 0.578 25446 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25446 10 1 2 "Average Difference" CA 80 1.235 -0.089 1.239 25446 11 1 2 "Average Difference" CB 72 1.063 -0.163 1.058 25446 12 1 2 "Average Difference" HN 81 0.650 -0.096 0.647 25446 13 1 3 "Average Difference" N 82 3.139 0.108 3.156 25446 14 1 3 "Average Difference" HA 80 0.541 0.061 0.541 25446 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25446 16 1 3 "Average Difference" CA 80 1.142 -0.010 1.149 25446 17 1 3 "Average Difference" CB 72 0.924 -0.197 0.909 25446 18 1 3 "Average Difference" HN 81 0.650 -0.094 0.647 25446 19 1 4 "Average Difference" N 82 3.087 -0.150 3.103 25446 20 1 4 "Average Difference" HA 80 0.521 0.060 0.520 25446 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25446 22 1 4 "Average Difference" CA 80 1.246 -0.029 1.253 25446 23 1 4 "Average Difference" CB 72 1.031 -0.141 1.028 25446 24 1 4 "Average Difference" HN 81 0.622 -0.097 0.619 25446 25 1 5 "Average Difference" N 82 2.974 -0.005 2.993 25446 26 1 5 "Average Difference" HA 80 0.534 0.042 0.536 25446 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25446 28 1 5 "Average Difference" CA 80 1.263 -0.189 1.256 25446 29 1 5 "Average Difference" CB 72 1.098 -0.231 1.081 25446 30 1 5 "Average Difference" HN 81 0.674 -0.074 0.674 25446 31 1 6 "Average Difference" N 82 2.883 0.152 2.897 25446 32 1 6 "Average Difference" HA 80 0.545 0.059 0.546 25446 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25446 34 1 6 "Average Difference" CA 80 1.149 0.007 1.156 25446 35 1 6 "Average Difference" CB 72 0.979 -0.191 0.967 25446 36 1 6 "Average Difference" HN 81 0.640 -0.064 0.641 25446 37 1 7 "Average Difference" N 82 2.801 0.048 2.818 25446 38 1 7 "Average Difference" HA 80 0.550 0.051 0.551 25446 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25446 40 1 7 "Average Difference" CA 80 1.286 -0.134 1.287 25446 41 1 7 "Average Difference" CB 72 1.158 -0.204 1.148 25446 42 1 7 "Average Difference" HN 81 0.626 -0.090 0.623 25446 43 1 8 "Average Difference" N 82 2.913 -0.020 2.931 25446 44 1 8 "Average Difference" HA 80 0.527 0.047 0.528 25446 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25446 46 1 8 "Average Difference" CA 80 1.281 -0.123 1.283 25446 47 1 8 "Average Difference" CB 72 1.028 -0.175 1.020 25446 48 1 8 "Average Difference" HN 81 0.652 -0.073 0.651 25446 49 1 9 "Average Difference" N 82 2.908 0.160 2.921 25446 50 1 9 "Average Difference" HA 80 0.571 0.069 0.570 25446 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25446 52 1 9 "Average Difference" CA 80 1.207 -0.118 1.209 25446 53 1 9 "Average Difference" CB 72 1.150 -0.203 1.139 25446 54 1 9 "Average Difference" HN 81 0.653 -0.120 0.646 25446 55 1 10 "Average Difference" N 82 3.010 0.151 3.024 25446 56 1 10 "Average Difference" HA 80 0.570 0.030 0.572 25446 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25446 58 1 10 "Average Difference" CA 80 1.211 -0.141 1.210 25446 59 1 10 "Average Difference" CB 72 1.110 -0.299 1.076 25446 60 1 10 "Average Difference" HN 81 0.649 -0.093 0.647 25446 61 1 11 "Average Difference" N 82 2.967 0.189 2.980 25446 62 1 11 "Average Difference" HA 80 0.546 0.021 0.549 25446 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25446 64 1 11 "Average Difference" CA 80 1.291 -0.115 1.294 25446 65 1 11 "Average Difference" CB 72 1.160 -0.316 1.124 25446 66 1 11 "Average Difference" HN 81 0.687 -0.071 0.687 25446 67 1 12 "Average Difference" N 82 2.786 0.016 2.803 25446 68 1 12 "Average Difference" HA 80 0.590 0.060 0.590 25446 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25446 70 1 12 "Average Difference" CA 80 1.233 -0.080 1.238 25446 71 1 12 "Average Difference" CB 72 1.012 -0.099 1.014 25446 72 1 12 "Average Difference" HN 81 0.625 -0.085 0.623 25446 73 1 13 "Average Difference" N 82 2.708 0.295 2.709 25446 74 1 13 "Average Difference" HA 80 0.566 0.047 0.567 25446 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25446 76 1 13 "Average Difference" CA 80 1.257 -0.091 1.262 25446 77 1 13 "Average Difference" CB 72 1.099 -0.187 1.091 25446 78 1 13 "Average Difference" HN 81 0.658 -0.092 0.656 25446 79 1 14 "Average Difference" N 82 2.952 0.127 2.967 25446 80 1 14 "Average Difference" HA 80 0.533 0.056 0.533 25446 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25446 82 1 14 "Average Difference" CA 80 1.197 -0.044 1.203 25446 83 1 14 "Average Difference" CB 72 0.989 -0.135 0.987 25446 84 1 14 "Average Difference" HN 81 0.667 -0.074 0.667 25446 85 1 15 "Average Difference" N 82 2.897 0.117 2.913 25446 86 1 15 "Average Difference" HA 80 0.574 0.031 0.577 25446 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25446 88 1 15 "Average Difference" CA 80 1.287 -0.143 1.287 25446 89 1 15 "Average Difference" CB 72 1.047 -0.217 1.032 25446 90 1 15 "Average Difference" HN 81 0.644 -0.075 0.644 25446 91 1 16 "Average Difference" N 82 2.798 0.026 2.815 25446 92 1 16 "Average Difference" HA 80 0.614 0.027 0.617 25446 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25446 94 1 16 "Average Difference" CA 80 1.254 -0.162 1.251 25446 95 1 16 "Average Difference" CB 72 1.129 -0.223 1.114 25446 96 1 16 "Average Difference" HN 81 0.644 -0.132 0.634 25446 97 1 17 "Average Difference" N 82 3.030 -0.081 3.047 25446 98 1 17 "Average Difference" HA 80 0.547 0.062 0.547 25446 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25446 100 1 17 "Average Difference" CA 80 1.256 -0.069 1.262 25446 101 1 17 "Average Difference" CB 72 0.974 -0.182 0.963 25446 102 1 17 "Average Difference" HN 81 0.610 -0.063 0.611 25446 103 1 18 "Average Difference" N 82 2.662 0.323 2.659 25446 104 1 18 "Average Difference" HA 80 0.551 0.052 0.552 25446 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25446 106 1 18 "Average Difference" CA 80 1.233 -0.070 1.239 25446 107 1 18 "Average Difference" CB 72 1.101 -0.282 1.072 25446 108 1 18 "Average Difference" HN 81 0.639 -0.093 0.637 25446 109 1 19 "Average Difference" N 82 2.842 0.280 2.846 25446 110 1 19 "Average Difference" HA 80 0.583 0.043 0.585 25446 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25446 112 1 19 "Average Difference" CA 80 1.254 -0.101 1.258 25446 113 1 19 "Average Difference" CB 72 1.065 -0.339 1.017 25446 114 1 19 "Average Difference" HN 81 0.646 -0.083 0.644 25446 115 1 20 "Average Difference" N 82 2.984 0.245 2.992 25446 116 1 20 "Average Difference" HA 80 0.564 0.027 0.567 25446 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25446 118 1 20 "Average Difference" CA 80 1.194 -0.085 1.199 25446 119 1 20 "Average Difference" CB 72 1.063 -0.166 1.057 25446 120 1 20 "Average Difference" HN 81 0.660 -0.066 0.660 25446 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 25446 _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 GLN N N 2 123.771 123.771 121.103 2.668 25446 2 1 . 1 1 2 2 GLN HA H 2 4.130 4.130 4.268 -0.138 25446 3 1 . 1 1 2 2 GLN CA C 2 57.549 57.549 56.344 1.205 25446 4 1 . 1 1 2 2 GLN CB C 2 30.162 30.162 29.295 0.867 25446 5 1 . 1 1 2 2 GLN H H 2 9.634 9.634 8.510 1.124 25446 6 1 . 1 1 3 3 HIS N N 3 119.013 119.013 116.364 2.649 25446 7 1 . 1 1 3 3 HIS HA H 3 5.184 5.184 4.346 0.838 25446 8 1 . 1 1 3 3 HIS CA C 3 55.003 55.003 56.302 -1.299 25446 9 1 . 1 1 3 3 HIS CB C 3 31.088 31.088 29.024 2.064 25446 10 1 . 1 1 3 3 HIS H H 3 9.946 9.946 8.618 1.328 25446 11 1 . 1 1 4 4 ALA N N 4 122.550 122.550 121.929 0.621 25446 12 1 . 1 1 4 4 ALA HA H 4 3.891 3.891 4.035 -0.144 25446 13 1 . 1 1 4 4 ALA CA C 4 56.560 56.560 55.118 1.442 25446 14 1 . 1 1 4 4 ALA CB C 4 18.792 18.792 18.768 0.024 25446 15 1 . 1 1 4 4 ALA H H 4 7.524 7.524 8.172 -0.648 25446 16 1 . 1 1 5 5 SER N N 5 112.310 112.310 113.440 -1.130 25446 17 1 . 1 1 5 5 SER HA H 5 4.295 4.295 4.148 0.147 25446 18 1 . 1 1 5 5 SER CA C 5 62.089 62.089 61.518 0.571 25446 19 1 . 1 1 5 5 SER CB C 5 62.421 62.421 62.605 -0.183 25446 20 1 . 1 1 5 5 SER H H 5 8.772 8.772 8.285 0.487 25446 21 1 . 1 1 6 6 VAL N N 6 122.625 122.625 122.392 0.233 25446 22 1 . 1 1 6 6 VAL HA H 6 4.111 4.111 3.806 0.305 25446 23 1 . 1 1 6 6 VAL CA C 6 65.708 65.708 66.032 -0.324 25446 24 1 . 1 1 6 6 VAL CB C 6 32.740 32.740 31.541 1.199 25446 25 1 . 1 1 6 6 VAL H H 6 7.657 7.657 7.407 0.250 25446 26 1 . 1 1 7 7 ILE N N 7 121.536 121.536 120.620 0.916 25446 27 1 . 1 1 7 7 ILE HA H 7 4.226 4.226 3.676 0.550 25446 28 1 . 1 1 7 7 ILE CA C 7 65.293 65.293 65.824 -0.531 25446 29 1 . 1 1 7 7 ILE CB C 7 38.631 38.631 37.335 1.296 25446 30 1 . 1 1 7 7 ILE H H 7 8.526 8.526 7.604 0.922 25446 31 1 . 1 1 8 8 ALA N N 8 121.229 121.229 121.644 -0.415 25446 32 1 . 1 1 8 8 ALA HA H 8 3.896 3.896 4.018 -0.122 25446 33 1 . 1 1 8 8 ALA CA C 8 56.242 56.242 55.542 0.700 25446 34 1 . 1 1 8 8 ALA CB C 8 18.731 18.731 18.167 0.564 25446 35 1 . 1 1 8 8 ALA H H 8 8.946 8.946 8.089 0.857 25446 36 1 . 1 1 9 9 GLN N N 9 114.998 114.998 119.237 -4.239 25446 37 1 . 1 1 9 9 GLN HA H 9 3.873 3.873 4.075 -0.202 25446 38 1 . 1 1 9 9 GLN CA C 9 58.959 58.959 58.653 0.307 25446 39 1 . 1 1 9 9 GLN CB C 9 27.813 27.813 28.552 -0.739 25446 40 1 . 1 1 9 9 GLN H H 9 7.731 7.731 8.223 -0.493 25446 41 1 . 1 1 10 10 PHE N N 10 120.075 120.075 121.608 -1.533 25446 42 1 . 1 1 10 10 PHE HA H 10 4.078 4.078 4.215 -0.137 25446 43 1 . 1 1 10 10 PHE CA C 10 60.853 60.853 61.586 -0.733 25446 44 1 . 1 1 10 10 PHE CB C 10 38.823 38.823 39.416 -0.593 25446 45 1 . 1 1 10 10 PHE H H 10 7.299 7.299 8.780 -1.481 25446 46 1 . 1 1 11 11 VAL N N 11 117.458 117.458 118.321 -0.863 25446 47 1 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.803 -0.496 25446 48 1 . 1 1 11 11 VAL CA C 11 66.444 66.444 66.193 0.251 25446 49 1 . 1 1 11 11 VAL CB C 11 31.688 31.688 32.023 -0.335 25446 50 1 . 1 1 11 11 VAL H H 11 8.363 8.363 8.315 0.048 25446 51 1 . 1 1 12 12 VAL N N 12 117.722 117.722 119.676 -1.954 25446 52 1 . 1 1 12 12 VAL HA H 12 3.747 3.747 3.402 0.345 25446 53 1 . 1 1 12 12 VAL CA C 12 65.919 65.919 66.379 -0.460 25446 54 1 . 1 1 12 12 VAL CB C 12 31.267 31.267 31.056 0.211 25446 55 1 . 1 1 12 12 VAL H H 12 8.289 8.289 8.355 -0.066 25446 56 1 . 1 1 13 13 GLU N N 13 117.827 117.827 119.466 -1.639 25446 57 1 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.871 -0.129 25446 58 1 . 1 1 13 13 GLU CA C 13 59.193 59.193 59.157 0.036 25446 59 1 . 1 1 13 13 GLU CB C 13 29.494 29.494 29.247 0.247 25446 60 1 . 1 1 13 13 GLU H H 13 7.758 7.758 8.161 -0.403 25446 61 1 . 1 1 14 14 GLU N N 14 113.425 113.425 118.329 -4.904 25446 62 1 . 1 1 14 14 GLU HA H 14 3.772 3.772 3.897 -0.125 25446 63 1 . 1 1 14 14 GLU CA C 14 56.607 56.607 58.131 -1.524 25446 64 1 . 1 1 14 14 GLU CB C 14 29.499 29.499 29.623 -0.123 25446 65 1 . 1 1 14 14 GLU H H 14 7.604 7.604 7.564 0.040 25446 66 1 . 1 1 15 15 PHE N N 15 114.097 114.097 114.884 -0.787 25446 67 1 . 1 1 15 15 PHE HA H 15 4.941 4.941 4.669 0.272 25446 68 1 . 1 1 15 15 PHE CA C 15 57.993 57.993 57.440 0.554 25446 69 1 . 1 1 15 15 PHE CB C 15 41.992 41.992 39.798 2.194 25446 70 1 . 1 1 15 15 PHE H H 15 7.916 7.916 7.289 0.627 25446 71 1 . 1 1 16 16 LEU N N 16 121.405 121.405 121.114 0.291 25446 72 1 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.648 0.319 25446 73 1 . 1 1 16 16 LEU CA C 16 52.317 52.317 52.649 -0.332 25446 74 1 . 1 1 16 16 LEU CB C 16 44.735 44.735 42.733 2.002 25446 75 1 . 1 1 16 16 LEU H H 16 8.046 8.046 7.804 0.242 25446 76 1 . 1 1 17 17 PRO HA H 17 4.374 4.374 4.509 -0.135 25446 77 1 . 1 1 17 17 PRO CA C 17 64.665 64.665 62.870 1.795 25446 78 1 . 1 1 18 18 ASP N N 18 116.413 116.413 118.096 -1.683 25446 79 1 . 1 1 18 18 ASP HA H 18 4.584 4.584 4.543 0.041 25446 80 1 . 1 1 18 18 ASP CB C 18 40.590 40.590 40.403 0.187 25446 81 1 . 1 1 18 18 ASP H H 18 8.415 8.415 8.566 -0.151 25446 82 1 . 1 1 19 19 VAL N N 19 122.077 122.077 119.333 2.744 25446 83 1 . 1 1 19 19 VAL HA H 19 4.113 4.113 4.127 -0.014 25446 84 1 . 1 1 19 19 VAL CA C 19 61.347 61.347 60.761 0.586 25446 85 1 . 1 1 19 19 VAL CB C 19 33.387 33.387 34.323 -0.936 25446 86 1 . 1 1 19 19 VAL H H 19 7.771 7.771 7.238 0.533 25446 87 1 . 1 1 20 20 ALA N N 20 129.197 129.197 129.425 -0.228 25446 88 1 . 1 1 20 20 ALA HA H 20 4.588 4.588 4.453 0.135 25446 89 1 . 1 1 20 20 ALA CA C 20 50.228 50.228 50.541 -0.313 25446 90 1 . 1 1 20 20 ALA CB C 20 17.423 17.423 18.192 -0.769 25446 91 1 . 1 1 20 20 ALA H H 20 8.765 8.765 8.419 0.346 25446 92 1 . 1 1 21 21 PRO HA H 21 4.074 4.074 4.159 -0.085 25446 93 1 . 1 1 21 21 PRO CA C 21 66.141 66.141 65.390 0.751 25446 94 1 . 1 1 21 21 PRO CB C 21 31.338 31.338 31.822 -0.484 25446 95 1 . 1 1 22 22 ALA N N 22 115.949 115.949 117.808 -1.859 25446 96 1 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.180 -0.063 25446 97 1 . 1 1 22 22 ALA CA C 22 53.783 53.783 53.946 -0.163 25446 98 1 . 1 1 22 22 ALA CB C 22 18.752 18.752 18.364 0.388 25446 99 1 . 1 1 22 22 ALA H H 22 8.074 8.074 8.009 0.065 25446 100 1 . 1 1 23 23 ASP N N 23 115.451 115.451 117.351 -1.900 25446 101 1 . 1 1 23 23 ASP HA H 23 4.652 4.652 4.743 -0.091 25446 102 1 . 1 1 23 23 ASP CA C 23 54.444 54.444 53.911 0.533 25446 103 1 . 1 1 23 23 ASP CB C 23 41.140 41.140 41.170 -0.030 25446 104 1 . 1 1 23 23 ASP H H 23 8.023 8.023 8.058 -0.035 25446 105 1 . 1 1 24 24 VAL N N 24 121.382 121.382 120.754 0.628 25446 106 1 . 1 1 24 24 VAL HA H 24 3.828 3.828 4.113 -0.285 25446 107 1 . 1 1 24 24 VAL CA C 24 62.311 62.311 61.342 0.969 25446 108 1 . 1 1 24 24 VAL CB C 24 31.864 31.864 33.212 -1.348 25446 109 1 . 1 1 24 24 VAL H H 24 7.072 7.072 7.359 -0.287 25446 110 1 . 1 1 25 25 ASP N N 25 129.258 129.258 127.474 1.784 25446 111 1 . 1 1 25 25 ASP HA H 25 4.572 4.572 4.599 -0.027 25446 112 1 . 1 1 25 25 ASP CA C 25 54.470 54.470 54.301 0.169 25446 113 1 . 1 1 25 25 ASP H H 25 8.499 8.499 8.807 -0.308 25446 114 1 . 1 1 26 26 VAL N N 26 121.736 121.736 120.093 1.643 25446 115 1 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.875 0.233 25446 116 1 . 1 1 26 26 VAL CA C 26 64.476 64.476 63.666 0.810 25446 117 1 . 1 1 26 26 VAL CB C 26 31.217 31.217 31.658 -0.441 25446 118 1 . 1 1 26 26 VAL H H 26 8.566 8.566 7.994 0.572 25446 119 1 . 1 1 27 27 ASP N N 27 116.233 116.233 118.130 -1.897 25446 120 1 . 1 1 27 27 ASP HA H 27 5.154 5.154 4.691 0.463 25446 121 1 . 1 1 27 27 ASP CA C 27 54.123 54.123 54.241 -0.118 25446 122 1 . 1 1 27 27 ASP CB C 27 42.592 42.592 40.668 1.924 25446 123 1 . 1 1 27 27 ASP H H 27 8.638 8.638 7.927 0.711 25446 124 1 . 1 1 28 28 LEU N N 28 125.046 125.046 122.587 2.459 25446 125 1 . 1 1 28 28 LEU HA H 28 4.026 4.026 4.455 -0.429 25446 126 1 . 1 1 28 28 LEU CA C 28 55.867 55.867 54.713 1.154 25446 127 1 . 1 1 28 28 LEU CB C 28 43.408 43.408 43.668 -0.260 25446 128 1 . 1 1 28 28 LEU H H 28 7.389 7.389 7.526 -0.137 25446 129 1 . 1 1 29 29 ASP N N 29 125.807 125.807 125.428 0.379 25446 130 1 . 1 1 29 29 ASP HA H 29 4.831 4.831 4.697 0.134 25446 131 1 . 1 1 29 29 ASP H H 29 8.731 8.731 8.603 0.128 25446 132 1 . 1 1 30 30 LEU N N 30 130.007 130.007 122.711 7.296 25446 133 1 . 1 1 30 30 LEU HA H 30 3.898 3.898 4.291 -0.393 25446 134 1 . 1 1 30 30 LEU CA C 30 56.419 56.419 56.407 0.012 25446 135 1 . 1 1 30 30 LEU CB C 30 42.123 42.123 41.508 0.615 25446 136 1 . 1 1 30 30 LEU H H 30 9.744 9.744 8.465 1.279 25446 137 1 . 1 1 31 31 VAL N N 31 121.093 121.093 122.176 -1.083 25446 138 1 . 1 1 31 31 VAL HA H 31 4.226 4.226 3.604 0.622 25446 139 1 . 1 1 31 31 VAL CA C 31 64.391 64.391 66.116 -1.725 25446 140 1 . 1 1 31 31 VAL CB C 31 32.181 32.181 31.280 0.901 25446 141 1 . 1 1 31 31 VAL H H 31 8.166 8.166 7.845 0.321 25446 142 1 . 1 1 32 32 ASP N N 32 124.657 124.657 119.679 4.978 25446 143 1 . 1 1 32 32 ASP HA H 32 4.364 4.364 4.361 0.003 25446 144 1 . 1 1 32 32 ASP CA C 32 57.119 57.119 56.906 0.213 25446 145 1 . 1 1 32 32 ASP CB C 32 40.760 40.760 40.125 0.635 25446 146 1 . 1 1 32 32 ASP H H 32 9.365 9.365 8.044 1.321 25446 147 1 . 1 1 33 33 ASN N N 33 111.260 111.260 117.782 -6.522 25446 148 1 . 1 1 33 33 ASN HA H 33 4.740 4.740 4.580 0.160 25446 149 1 . 1 1 33 33 ASN CA C 33 53.812 53.812 52.740 1.072 25446 150 1 . 1 1 33 33 ASN CB C 33 39.106 39.106 37.854 1.252 25446 151 1 . 1 1 33 33 ASN H H 33 7.423 7.423 7.950 -0.527 25446 152 1 . 1 1 34 34 GLY N N 34 106.935 106.935 109.649 -2.714 25446 153 1 . 1 1 34 34 GLY CA C 34 46.624 46.624 47.034 -0.410 25446 154 1 . 1 1 34 34 GLY H H 34 7.648 7.648 8.599 -0.951 25446 155 1 . 1 1 35 35 VAL N N 35 120.307 120.307 122.620 -2.313 25446 156 1 . 1 1 35 35 VAL HA H 35 3.780 3.780 3.591 0.189 25446 157 1 . 1 1 35 35 VAL CA C 35 65.025 65.025 65.065 -0.040 25446 158 1 . 1 1 35 35 VAL CB C 35 31.789 31.789 31.607 0.182 25446 159 1 . 1 1 35 35 VAL H H 35 7.838 7.838 7.409 0.428 25446 160 1 . 1 1 36 36 ILE N N 36 116.154 116.154 119.212 -3.058 25446 161 1 . 1 1 36 36 ILE HA H 36 3.759 3.759 3.783 -0.024 25446 162 1 . 1 1 36 36 ILE CA C 36 60.576 60.576 63.589 -3.013 25446 163 1 . 1 1 36 36 ILE CB C 36 39.225 39.225 37.673 1.552 25446 164 1 . 1 1 36 36 ILE H H 36 7.337 7.337 8.589 -1.252 25446 165 1 . 1 1 37 37 ASP N N 37 126.730 126.730 120.240 6.489 25446 166 1 . 1 1 37 37 ASP HA H 37 4.729 4.729 3.769 0.960 25446 167 1 . 1 1 37 37 ASP CA C 37 51.637 51.637 56.736 -5.099 25446 168 1 . 1 1 37 37 ASP CB C 37 41.251 41.251 40.189 1.062 25446 169 1 . 1 1 37 37 ASP H H 37 7.921 7.921 8.183 -0.262 25446 170 1 . 1 1 38 38 SER N N 38 113.176 113.176 113.789 -0.613 25446 171 1 . 1 1 38 38 SER HA H 38 4.122 4.122 4.538 -0.416 25446 172 1 . 1 1 38 38 SER CA C 38 61.062 61.062 59.745 1.317 25446 173 1 . 1 1 39 39 LEU N N 39 122.521 122.521 123.227 -0.706 25446 174 1 . 1 1 39 39 LEU HA H 39 4.273 4.273 4.130 0.143 25446 175 1 . 1 1 39 39 LEU CA C 39 57.370 57.370 58.220 -0.850 25446 176 1 . 1 1 39 39 LEU CB C 39 41.259 41.259 41.889 -0.630 25446 177 1 . 1 1 39 39 LEU H H 39 7.675 7.675 7.771 -0.096 25446 178 1 . 1 1 40 40 GLY N N 40 111.971 111.971 106.499 5.472 25446 179 1 . 1 1 40 40 GLY CA C 40 48.120 48.120 46.969 1.150 25446 180 1 . 1 1 40 40 GLY H H 40 8.776 8.776 7.595 1.180 25446 181 1 . 1 1 41 41 LEU N N 41 122.579 122.579 123.652 -1.073 25446 182 1 . 1 1 41 41 LEU HA H 41 3.845 3.845 4.122 -0.277 25446 183 1 . 1 1 41 41 LEU CA C 41 58.265 58.265 57.824 0.441 25446 184 1 . 1 1 41 41 LEU CB C 41 41.579 41.579 41.997 -0.418 25446 185 1 . 1 1 41 41 LEU H H 41 8.551 8.551 8.499 0.052 25446 186 1 . 1 1 42 42 LEU N N 42 116.126 116.126 119.298 -3.172 25446 187 1 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.942 0.067 25446 188 1 . 1 1 42 42 LEU CA C 42 58.101 58.101 58.457 -0.356 25446 189 1 . 1 1 42 42 LEU CB C 42 40.947 40.947 41.583 -0.636 25446 190 1 . 1 1 42 42 LEU H H 42 7.213 7.213 7.978 -0.765 25446 191 1 . 1 1 43 43 LYS N N 43 119.793 119.793 119.366 0.427 25446 192 1 . 1 1 43 43 LYS HA H 43 4.282 4.282 4.070 0.212 25446 193 1 . 1 1 43 43 LYS CA C 43 59.570 59.570 59.922 -0.352 25446 194 1 . 1 1 43 43 LYS CB C 43 32.537 32.537 32.381 0.156 25446 195 1 . 1 1 43 43 LYS H H 43 7.664 7.664 7.488 0.177 25446 196 1 . 1 1 44 44 VAL N N 44 121.147 121.147 121.045 0.102 25446 197 1 . 1 1 44 44 VAL HA H 44 3.937 3.937 4.039 -0.102 25446 198 1 . 1 1 44 44 VAL CA C 44 66.818 66.818 67.034 -0.216 25446 199 1 . 1 1 44 44 VAL CB C 44 31.559 31.559 31.707 -0.148 25446 200 1 . 1 1 44 44 VAL H H 44 8.278 8.278 8.530 -0.252 25446 201 1 . 1 1 45 45 ILE N N 45 119.222 119.222 120.586 -1.364 25446 202 1 . 1 1 45 45 ILE HA H 45 3.405 3.405 3.767 -0.362 25446 203 1 . 1 1 45 45 ILE CA C 45 66.061 66.061 64.096 1.965 25446 204 1 . 1 1 45 45 ILE CB C 45 38.239 38.239 36.691 1.548 25446 205 1 . 1 1 45 45 ILE H H 45 8.127 8.127 8.389 -0.262 25446 206 1 . 1 1 46 46 ALA N N 46 121.011 121.011 122.941 -1.930 25446 207 1 . 1 1 46 46 ALA HA H 46 4.232 4.232 4.175 0.057 25446 208 1 . 1 1 46 46 ALA CA C 46 54.960 54.960 55.075 -0.115 25446 209 1 . 1 1 46 46 ALA CB C 46 18.340 18.340 18.550 -0.210 25446 210 1 . 1 1 46 46 ALA H H 46 7.811 7.811 7.916 -0.105 25446 211 1 . 1 1 47 47 TRP N N 47 121.158 121.158 121.071 0.087 25446 212 1 . 1 1 47 47 TRP HA H 47 4.235 4.235 4.454 -0.219 25446 213 1 . 1 1 47 47 TRP CA C 47 61.834 61.834 60.212 1.622 25446 214 1 . 1 1 47 47 TRP CB C 47 28.220 28.220 29.779 -1.558 25446 215 1 . 1 1 47 47 TRP H H 47 8.094 8.094 8.363 -0.269 25446 216 1 . 1 1 48 48 LEU N N 48 118.890 118.890 121.513 -2.623 25446 217 1 . 1 1 48 48 LEU HA H 48 3.573 3.573 2.986 0.587 25446 218 1 . 1 1 48 48 LEU CA C 48 58.192 58.192 58.465 -0.273 25446 219 1 . 1 1 48 48 LEU CB C 48 42.254 42.254 41.632 0.622 25446 220 1 . 1 1 48 48 LEU H H 48 8.704 8.704 8.948 -0.244 25446 221 1 . 1 1 49 49 GLU N N 49 118.917 118.917 118.803 0.114 25446 222 1 . 1 1 49 49 GLU HA H 49 4.046 4.046 4.050 -0.004 25446 223 1 . 1 1 49 49 GLU CA C 49 59.708 59.708 59.387 0.321 25446 224 1 . 1 1 49 49 GLU CB C 49 29.616 29.616 29.172 0.444 25446 225 1 . 1 1 49 49 GLU H H 49 7.808 7.808 8.135 -0.327 25446 226 1 . 1 1 50 50 ASP N N 50 119.614 119.614 119.618 -0.004 25446 227 1 . 1 1 50 50 ASP HA H 50 4.240 4.240 4.410 -0.170 25446 228 1 . 1 1 50 50 ASP CA C 50 57.009 57.009 56.356 0.653 25446 229 1 . 1 1 50 50 ASP CB C 50 42.377 42.377 40.882 1.495 25446 230 1 . 1 1 50 50 ASP H H 50 7.677 7.677 7.580 0.097 25446 231 1 . 1 1 51 51 ARG N N 51 116.918 116.918 117.883 -0.965 25446 232 1 . 1 1 51 51 ARG HA H 51 3.725 3.725 3.962 -0.237 25446 233 1 . 1 1 51 51 ARG CA C 51 56.288 56.288 58.274 -1.986 25446 234 1 . 1 1 51 51 ARG CB C 51 29.284 29.284 30.412 -1.128 25446 235 1 . 1 1 51 51 ARG H H 51 8.876 8.876 7.658 1.218 25446 236 1 . 1 1 52 52 PHE N N 52 112.278 112.278 114.485 -2.207 25446 237 1 . 1 1 52 52 PHE HA H 52 4.657 4.657 4.589 0.068 25446 238 1 . 1 1 52 52 PHE CA C 52 57.050 57.050 58.268 -1.218 25446 239 1 . 1 1 52 52 PHE CB C 52 40.752 40.752 39.715 1.037 25446 240 1 . 1 1 52 52 PHE H H 52 7.330 7.330 7.760 -0.430 25446 241 1 . 1 1 53 53 GLY N N 53 109.717 109.717 109.175 0.542 25446 242 1 . 1 1 53 53 GLY CA C 53 46.646 46.646 45.621 1.025 25446 243 1 . 1 1 53 53 GLY H H 53 7.411 7.411 8.159 -0.748 25446 244 1 . 1 1 54 54 ILE N N 54 119.148 119.148 120.055 -0.907 25446 245 1 . 1 1 54 54 ILE HA H 54 3.943 3.943 4.175 -0.232 25446 246 1 . 1 1 54 54 ILE CA C 54 60.600 60.600 60.207 0.393 25446 247 1 . 1 1 54 54 ILE CB C 54 39.509 39.509 39.286 0.223 25446 248 1 . 1 1 54 54 ILE H H 54 6.901 6.901 7.418 -0.517 25446 249 1 . 1 1 55 55 ALA N N 55 129.774 129.774 128.468 1.306 25446 250 1 . 1 1 55 55 ALA HA H 55 4.402 4.402 4.253 0.149 25446 251 1 . 1 1 55 55 ALA CA C 55 51.648 51.648 52.506 -0.858 25446 252 1 . 1 1 55 55 ALA H H 55 8.538 8.538 8.379 0.159 25446 253 1 . 1 1 56 56 ALA N N 56 126.034 126.034 124.507 1.527 25446 254 1 . 1 1 56 56 ALA HA H 56 4.273 4.273 4.130 0.143 25446 255 1 . 1 1 56 56 ALA CA C 56 53.612 53.612 53.847 -0.235 25446 256 1 . 1 1 56 56 ALA CB C 56 19.122 19.122 18.832 0.290 25446 257 1 . 1 1 56 56 ALA H H 56 8.620 8.620 8.589 0.031 25446 258 1 . 1 1 57 57 ASP N N 57 115.649 115.649 115.907 -0.258 25446 259 1 . 1 1 57 57 ASP HA H 57 4.476 4.476 4.479 -0.004 25446 260 1 . 1 1 57 57 ASP CA C 57 55.170 55.170 54.756 0.414 25446 261 1 . 1 1 57 57 ASP H H 57 8.321 8.321 8.365 -0.044 25446 262 1 . 1 1 58 58 ASP N N 58 118.298 118.298 118.670 -0.372 25446 263 1 . 1 1 58 58 ASP HA H 58 4.668 4.668 4.483 0.185 25446 264 1 . 1 1 58 58 ASP CA C 58 54.802 54.802 54.919 -0.117 25446 265 1 . 1 1 58 58 ASP H H 58 7.971 7.971 8.162 -0.191 25446 266 1 . 1 1 59 59 VAL N N 59 118.443 118.443 118.941 -0.498 25446 267 1 . 1 1 59 59 VAL HA H 59 4.209 4.209 4.248 -0.039 25446 268 1 . 1 1 59 59 VAL CA C 59 62.070 62.070 61.490 0.580 25446 269 1 . 1 1 59 59 VAL CB C 59 33.330 33.330 33.944 -0.614 25446 270 1 . 1 1 59 59 VAL H H 59 7.700 7.700 7.789 -0.089 25446 271 1 . 1 1 60 60 GLU N N 60 122.777 122.777 122.775 0.002 25446 272 1 . 1 1 60 60 GLU HA H 60 4.283 4.283 4.463 -0.180 25446 273 1 . 1 1 60 60 GLU CA C 60 56.318 56.318 55.978 0.339 25446 274 1 . 1 1 60 60 GLU CB C 60 29.877 29.877 30.606 -0.729 25446 275 1 . 1 1 60 60 GLU H H 60 8.416 8.416 8.293 0.123 25446 276 1 . 1 1 61 61 LEU N N 61 124.910 124.910 124.298 0.612 25446 277 1 . 1 1 61 61 LEU HA H 61 4.357 4.357 4.575 -0.218 25446 278 1 . 1 1 61 61 LEU CA C 61 55.162 55.162 54.328 0.833 25446 279 1 . 1 1 61 61 LEU CB C 61 41.845 41.845 43.208 -1.363 25446 280 1 . 1 1 61 61 LEU H H 61 8.249 8.249 8.432 -0.183 25446 281 1 . 1 1 62 62 SER N N 62 118.228 118.228 117.911 0.317 25446 282 1 . 1 1 62 62 SER HA H 62 4.816 4.816 4.924 -0.108 25446 283 1 . 1 1 62 62 SER CB C 62 63.963 63.963 64.589 -0.626 25446 284 1 . 1 1 62 62 SER H H 62 8.025 8.025 8.222 -0.197 25446 285 1 . 1 1 63 63 PRO HA H 63 4.254 4.254 4.560 -0.306 25446 286 1 . 1 1 63 63 PRO CA C 63 64.894 64.894 65.127 -0.233 25446 287 1 . 1 1 64 64 GLU N N 64 116.457 116.457 118.194 -1.737 25446 288 1 . 1 1 64 64 GLU HA H 64 3.867 3.867 4.122 -0.255 25446 289 1 . 1 1 64 64 GLU CA C 64 58.746 58.746 59.178 -0.432 25446 290 1 . 1 1 64 64 GLU CB C 64 28.707 28.707 29.012 -0.304 25446 291 1 . 1 1 64 64 GLU H H 64 8.310 8.310 8.858 -0.548 25446 292 1 . 1 1 65 65 HIS N N 65 114.998 114.998 119.353 -4.355 25446 293 1 . 1 1 65 65 HIS HA H 65 4.297 4.297 4.222 0.075 25446 294 1 . 1 1 65 65 HIS CA C 65 57.365 57.365 58.355 -0.990 25446 295 1 . 1 1 65 65 HIS CB C 65 29.607 29.607 29.657 -0.050 25446 296 1 . 1 1 65 65 HIS H H 65 7.324 7.324 7.825 -0.501 25446 297 1 . 1 1 66 66 PHE N N 66 115.965 115.965 115.063 0.902 25446 298 1 . 1 1 66 66 PHE HA H 66 4.782 4.782 4.534 0.248 25446 299 1 . 1 1 66 66 PHE CA C 66 55.666 55.666 58.241 -2.575 25446 300 1 . 1 1 66 66 PHE CB C 66 38.984 38.984 38.551 0.433 25446 301 1 . 1 1 66 66 PHE H H 66 7.245 7.245 7.569 -0.324 25446 302 1 . 1 1 67 67 ARG N N 67 112.179 112.179 119.254 -7.075 25446 303 1 . 1 1 67 67 ARG HA H 67 4.084 4.084 4.026 0.058 25446 304 1 . 1 1 67 67 ARG CA C 67 58.291 58.291 58.171 0.120 25446 305 1 . 1 1 67 67 ARG CB C 67 31.637 31.637 30.815 0.822 25446 306 1 . 1 1 67 67 ARG H H 67 6.632 6.632 7.547 -0.915 25446 307 1 . 1 1 68 68 SER N N 68 109.181 109.181 108.757 0.424 25446 308 1 . 1 1 68 68 SER HA H 68 4.985 4.985 4.704 0.281 25446 309 1 . 1 1 68 68 SER CA C 68 55.664 55.664 56.530 -0.866 25446 310 1 . 1 1 68 68 SER CB C 68 67.608 67.608 65.843 1.765 25446 311 1 . 1 1 68 68 SER H H 68 8.139 8.139 7.376 0.763 25446 312 1 . 1 1 69 69 ILE N N 69 122.526 122.526 123.342 -0.816 25446 313 1 . 1 1 69 69 ILE HA H 69 3.682 3.682 3.757 -0.075 25446 314 1 . 1 1 69 69 ILE CA C 69 66.738 66.738 65.048 1.690 25446 315 1 . 1 1 69 69 ILE CB C 69 36.988 36.988 37.834 -0.846 25446 316 1 . 1 1 69 69 ILE H H 69 9.770 9.770 8.938 0.832 25446 317 1 . 1 1 70 70 ARG N N 70 118.671 118.671 119.542 -0.871 25446 318 1 . 1 1 70 70 ARG HA H 70 3.968 3.968 4.021 -0.053 25446 319 1 . 1 1 70 70 ARG CA C 70 60.329 60.329 59.734 0.595 25446 320 1 . 1 1 70 70 ARG CB C 70 30.300 30.300 29.675 0.625 25446 321 1 . 1 1 70 70 ARG H H 70 8.860 8.860 8.298 0.562 25446 322 1 . 1 1 71 71 SER N N 71 117.722 117.722 115.291 2.431 25446 323 1 . 1 1 71 71 SER HA H 71 4.346 4.346 4.156 0.190 25446 324 1 . 1 1 71 71 SER CB C 71 62.962 62.962 62.623 0.339 25446 325 1 . 1 1 71 71 SER H H 71 8.534 8.534 7.622 0.912 25446 326 1 . 1 1 72 72 ILE N N 72 127.380 127.380 122.058 5.322 25446 327 1 . 1 1 72 72 ILE HA H 72 3.925 3.925 3.634 0.291 25446 328 1 . 1 1 72 72 ILE CA C 72 66.745 66.745 64.848 1.897 25446 329 1 . 1 1 72 72 ILE CB C 72 37.361 37.361 37.608 -0.247 25446 330 1 . 1 1 72 72 ILE H H 72 8.789 8.789 7.152 1.637 25446 331 1 . 1 1 73 73 ASP N N 73 121.443 121.443 120.721 0.722 25446 332 1 . 1 1 73 73 ASP HA H 73 4.012 4.012 4.293 -0.281 25446 333 1 . 1 1 73 73 ASP CA C 73 59.100 59.100 57.488 1.612 25446 334 1 . 1 1 73 73 ASP CB C 73 43.680 43.680 40.320 3.360 25446 335 1 . 1 1 73 73 ASP H H 73 8.699 8.699 8.007 0.692 25446 336 1 . 1 1 74 74 ALA N N 74 118.799 118.799 122.128 -3.329 25446 337 1 . 1 1 74 74 ALA HA H 74 4.039 4.039 4.067 -0.028 25446 338 1 . 1 1 74 74 ALA CA C 74 55.235 55.235 55.152 0.083 25446 339 1 . 1 1 74 74 ALA CB C 74 17.949 17.949 18.301 -0.352 25446 340 1 . 1 1 74 74 ALA H H 74 8.042 8.042 7.716 0.326 25446 341 1 . 1 1 75 75 PHE N N 75 121.125 121.125 119.293 1.832 25446 342 1 . 1 1 75 75 PHE HA H 75 4.045 4.045 4.154 -0.109 25446 343 1 . 1 1 75 75 PHE CA C 75 60.951 60.951 61.675 -0.724 25446 344 1 . 1 1 75 75 PHE CB C 75 38.871 38.871 39.327 -0.456 25446 345 1 . 1 1 75 75 PHE H H 75 8.369 8.369 7.708 0.661 25446 346 1 . 1 1 76 76 VAL N N 76 120.715 120.715 119.251 1.464 25446 347 1 . 1 1 76 76 VAL HA H 76 2.950 2.950 3.561 -0.611 25446 348 1 . 1 1 76 76 VAL CA C 76 66.829 66.829 66.984 -0.155 25446 349 1 . 1 1 76 76 VAL CB C 76 31.227 31.227 31.482 -0.255 25446 350 1 . 1 1 76 76 VAL H H 76 8.555 8.555 8.402 0.153 25446 351 1 . 1 1 77 77 VAL N N 77 121.286 121.286 119.538 1.748 25446 352 1 . 1 1 77 77 VAL HA H 77 3.493 3.493 3.778 -0.285 25446 353 1 . 1 1 77 77 VAL CA C 77 66.778 66.778 65.783 0.996 25446 354 1 . 1 1 77 77 VAL CB C 77 31.866 31.866 31.423 0.443 25446 355 1 . 1 1 77 77 VAL H H 77 8.770 8.770 8.455 0.315 25446 356 1 . 1 1 78 78 GLY N N 78 106.349 106.349 105.883 0.466 25446 357 1 . 1 1 78 78 GLY CA C 78 46.632 46.632 46.456 0.176 25446 358 1 . 1 1 78 78 GLY H H 78 7.976 7.976 7.988 -0.012 25446 359 1 . 1 1 79 79 ALA N N 79 120.998 120.998 122.220 -1.222 25446 360 1 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.450 -0.243 25446 361 1 . 1 1 79 79 ALA CA C 79 52.796 52.796 52.696 0.100 25446 362 1 . 1 1 79 79 ALA CB C 79 19.266 19.266 20.345 -1.079 25446 363 1 . 1 1 79 79 ALA H H 79 7.647 7.647 7.273 0.374 25446 364 1 . 1 1 80 80 THR N N 80 107.402 107.402 112.616 -5.214 25446 365 1 . 1 1 80 80 THR HA H 80 4.454 4.454 4.407 0.047 25446 366 1 . 1 1 80 80 THR CA C 80 61.337 61.337 61.604 -0.267 25446 367 1 . 1 1 80 80 THR CB C 80 70.703 70.703 70.712 -0.008 25446 368 1 . 1 1 80 80 THR H H 80 7.469 7.469 8.149 -0.680 25446 369 1 . 1 1 81 81 THR N N 81 119.746 119.746 118.493 1.253 25446 370 1 . 1 1 81 81 THR HA H 81 4.668 4.668 4.662 0.006 25446 371 1 . 1 1 81 81 THR CA C 81 60.448 60.448 58.362 2.086 25446 372 1 . 1 1 81 81 THR CB C 81 70.062 70.062 69.346 0.716 25446 373 1 . 1 1 81 81 THR H H 81 7.684 7.684 8.168 -0.484 25446 374 1 . 1 1 82 82 PRO HA H 82 4.699 4.699 4.715 -0.016 25446 375 1 . 1 1 82 82 PRO CA C 82 61.610 61.610 61.142 0.468 25446 376 1 . 1 1 82 82 PRO CB C 82 31.004 31.004 31.204 -0.200 25446 377 1 . 1 1 83 83 PRO HA H 83 4.473 4.473 4.377 0.096 25446 378 1 . 1 1 83 83 PRO CA C 83 62.811 62.811 62.615 0.196 25446 379 1 . 1 1 83 83 PRO CB C 83 32.081 32.081 32.434 -0.352 25446 380 1 . 1 1 84 84 VAL N N 84 120.611 120.611 121.429 -0.818 25446 381 1 . 1 1 84 84 VAL HA H 84 4.047 4.047 4.340 -0.293 25446 382 1 . 1 1 84 84 VAL CA C 84 62.313 62.313 61.167 1.146 25446 383 1 . 1 1 84 84 VAL CB C 84 32.872 32.872 34.124 -1.252 25446 384 1 . 1 1 84 84 VAL H H 84 8.240 8.240 8.216 0.024 25446 385 1 . 1 1 85 85 GLU N N 85 125.076 125.076 126.068 -0.992 25446 386 1 . 1 1 85 85 GLU H H 85 8.434 8.434 8.695 -0.261 25446 387 1 . 1 1 86 86 ALA N N 86 126.280 126.280 120.717 5.563 25446 388 1 . 1 1 86 86 ALA CA C 86 52.288 52.288 51.532 0.756 25446 389 1 . 1 1 86 86 ALA H H 86 8.340 8.340 7.849 0.491 25446 390 1 . 1 1 87 87 LYS N N 87 121.709 121.709 121.689 0.020 25446 391 1 . 1 1 87 87 LYS CB C 87 33.204 33.204 32.327 0.877 25446 392 1 . 1 1 87 87 LYS H H 87 8.334 8.334 8.794 -0.460 25446 393 1 . 1 1 88 88 LEU N N 88 125.379 125.379 119.925 5.454 25446 394 1 . 1 1 88 88 LEU HA H 88 0.000 0.000 4.199 -4.199 25446 395 1 . 1 1 88 88 LEU H H 88 8.435 8.435 8.040 0.395 25446 stop_ save_