data_25702 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25702 _Entry.PDB_ID 2N5A 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 25702 _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 VAL N N 2 125.020 125.020 125.479 -0.459 25702 2 1 1 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.315 -0.237 25702 3 1 1 . 1 1 2 2 VAL C C 2 175.261 175.261 175.953 -0.692 25702 4 1 1 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.005 0.044 25702 5 1 1 . 1 1 2 2 VAL CB C 2 32.667 32.667 33.048 -0.381 25702 6 1 1 . 1 1 2 2 VAL H H 2 8.590 8.590 8.446 0.144 25702 7 1 1 . 1 1 3 3 THR N N 3 125.759 125.759 125.200 0.559 25702 8 1 1 . 1 1 3 3 THR HA H 3 4.138 4.138 4.387 -0.249 25702 9 1 1 . 1 1 3 3 THR C C 3 173.129 173.129 173.003 0.126 25702 10 1 1 . 1 1 3 3 THR CA C 3 62.804 62.804 63.001 -0.197 25702 11 1 1 . 1 1 3 3 THR CB C 3 69.547 69.547 69.586 -0.039 25702 12 1 1 . 1 1 3 3 THR H H 3 7.778 7.778 8.514 -0.736 25702 13 1 1 . 1 1 4 4 GLN N N 4 127.746 127.746 123.100 4.646 25702 14 1 1 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.899 -0.160 25702 15 1 1 . 1 1 4 4 GLN C C 4 176.754 176.754 175.736 1.018 25702 16 1 1 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.077 -0.642 25702 17 1 1 . 1 1 4 4 GLN CB C 4 29.530 29.530 30.279 -0.749 25702 18 1 1 . 1 1 4 4 GLN H H 4 8.975 8.975 8.381 0.594 25702 19 1 1 . 1 1 5 5 PHE N N 5 126.242 126.242 125.739 0.503 25702 20 1 1 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.552 0.265 25702 21 1 1 . 1 1 5 5 PHE C C 5 176.102 176.102 175.807 0.295 25702 22 1 1 . 1 1 5 5 PHE CA C 5 58.528 58.528 57.135 1.393 25702 23 1 1 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.313 0.207 25702 24 1 1 . 1 1 5 5 PHE H H 5 8.422 8.422 8.091 0.331 25702 25 1 1 . 1 1 6 6 LYS N N 6 119.482 119.482 118.392 1.090 25702 26 1 1 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.485 0.136 25702 27 1 1 . 1 1 6 6 LYS C C 6 176.994 176.994 175.664 1.330 25702 28 1 1 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.800 -0.785 25702 29 1 1 . 1 1 6 6 LYS CB C 6 34.132 34.132 33.936 0.196 25702 30 1 1 . 1 1 6 6 LYS H H 6 9.822 9.822 8.754 1.068 25702 31 1 1 . 1 1 7 7 THR N N 7 107.464 107.464 108.890 -1.426 25702 32 1 1 . 1 1 7 7 THR HA H 7 4.597 4.597 4.546 0.051 25702 33 1 1 . 1 1 7 7 THR C C 7 173.921 173.921 173.980 -0.059 25702 34 1 1 . 1 1 7 7 THR CA C 7 59.155 59.155 59.965 -0.810 25702 35 1 1 . 1 1 7 7 THR CB C 7 72.660 72.660 71.110 1.550 25702 36 1 1 . 1 1 7 7 THR H H 7 7.484 7.484 7.485 -0.001 25702 37 1 1 . 1 1 8 8 ALA N N 8 123.987 123.987 121.367 2.620 25702 38 1 1 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.064 -0.355 25702 39 1 1 . 1 1 8 8 ALA C C 8 179.409 179.409 179.395 0.014 25702 40 1 1 . 1 1 8 8 ALA CA C 8 55.002 55.002 55.156 -0.154 25702 41 1 1 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.347 -0.257 25702 42 1 1 . 1 1 8 8 ALA H H 8 9.031 9.031 8.586 0.445 25702 43 1 1 . 1 1 9 9 SER N N 9 112.387 112.387 114.974 -2.587 25702 44 1 1 . 1 1 9 9 SER HA H 9 4.127 4.127 3.994 0.133 25702 45 1 1 . 1 1 9 9 SER C C 9 177.070 177.070 176.775 0.295 25702 46 1 1 . 1 1 9 9 SER CA C 9 61.109 61.109 62.466 -1.357 25702 47 1 1 . 1 1 9 9 SER CB C 9 62.226 62.226 62.786 -0.560 25702 48 1 1 . 1 1 9 9 SER H H 9 8.161 8.161 7.747 0.414 25702 49 1 1 . 1 1 10 10 GLU N N 10 121.941 121.941 121.949 -0.008 25702 50 1 1 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.885 -0.034 25702 51 1 1 . 1 1 10 10 GLU C C 10 178.776 178.776 178.052 0.724 25702 52 1 1 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.164 -0.481 25702 53 1 1 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.084 1.919 25702 54 1 1 . 1 1 10 10 GLU H H 10 7.522 7.522 7.489 0.033 25702 55 1 1 . 1 1 11 11 PHE N N 11 120.541 120.541 119.617 0.924 25702 56 1 1 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.826 0.020 25702 57 1 1 . 1 1 11 11 PHE C C 11 174.944 174.944 176.885 -1.941 25702 58 1 1 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.535 0.172 25702 59 1 1 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.856 -1.118 25702 60 1 1 . 1 1 11 11 PHE H H 11 6.624 6.624 7.227 -0.603 25702 61 1 1 . 1 1 12 12 ASP N N 12 117.847 117.847 118.795 -0.948 25702 62 1 1 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.154 -0.323 25702 63 1 1 . 1 1 12 12 ASP C C 12 178.767 178.767 178.574 0.193 25702 64 1 1 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.571 -0.353 25702 65 1 1 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.689 -0.390 25702 66 1 1 . 1 1 12 12 ASP H H 12 7.637 7.637 8.478 -0.841 25702 67 1 1 . 1 1 13 13 SER N N 13 111.904 111.904 115.788 -3.884 25702 68 1 1 . 1 1 13 13 SER HA H 13 4.034 4.034 4.151 -0.117 25702 69 1 1 . 1 1 13 13 SER C C 13 176.341 176.341 176.499 -0.158 25702 70 1 1 . 1 1 13 13 SER CA C 13 60.857 60.857 60.964 -0.107 25702 71 1 1 . 1 1 13 13 SER CB C 13 63.144 63.144 63.126 0.018 25702 72 1 1 . 1 1 13 13 SER H H 13 7.539 7.539 8.106 -0.567 25702 73 1 1 . 1 1 14 14 ALA N N 14 123.793 123.793 122.726 1.067 25702 74 1 1 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.006 0.021 25702 75 1 1 . 1 1 14 14 ALA C C 14 180.358 180.358 179.821 0.537 25702 76 1 1 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.366 0.474 25702 77 1 1 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.406 0.420 25702 78 1 1 . 1 1 14 14 ALA H H 14 7.647 7.647 7.481 0.166 25702 79 1 1 . 1 1 15 15 ILE N N 15 106.782 106.782 119.326 -12.544 25702 80 1 1 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.730 -0.010 25702 81 1 1 . 1 1 15 15 ILE C C 15 176.012 176.012 178.003 -1.991 25702 82 1 1 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.982 1.513 25702 83 1 1 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.205 1.590 25702 84 1 1 . 1 1 15 15 ILE H H 15 7.146 7.146 7.799 -0.653 25702 85 1 1 . 1 1 16 16 ALA N N 16 122.248 122.248 119.366 2.882 25702 86 1 1 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.308 -0.277 25702 87 1 1 . 1 1 16 16 ALA C C 16 177.072 177.072 177.510 -0.438 25702 88 1 1 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.334 -0.584 25702 89 1 1 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.440 -0.070 25702 90 1 1 . 1 1 16 16 ALA H H 16 6.627 6.627 7.480 -0.853 25702 91 1 1 . 1 1 17 17 GLN N N 17 115.254 115.254 119.248 -3.994 25702 92 1 1 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.226 -0.007 25702 93 1 1 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.731 0.167 25702 94 1 1 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.491 4.473 25702 95 1 1 . 1 1 17 17 GLN H H 17 7.136 7.136 7.414 -0.278 25702 96 1 1 . 1 1 18 18 ASP N N 18 122.840 122.840 122.852 -0.012 25702 97 1 1 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.566 -0.034 25702 98 1 1 . 1 1 18 18 ASP C C 18 175.348 175.348 175.369 -0.021 25702 99 1 1 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.381 -0.871 25702 100 1 1 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.623 -0.573 25702 101 1 1 . 1 1 18 18 ASP H H 18 8.644 8.644 8.646 -0.002 25702 102 1 1 . 1 1 19 19 LYS N N 19 118.503 118.503 113.947 4.556 25702 103 1 1 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.505 -0.122 25702 104 1 1 . 1 1 19 19 LYS C C 19 173.289 173.289 174.794 -1.505 25702 105 1 1 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.887 0.834 25702 106 1 1 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.841 -0.625 25702 107 1 1 . 1 1 19 19 LYS H H 19 7.939 7.939 7.601 0.338 25702 108 1 1 . 1 1 20 20 LEU N N 20 120.813 120.813 123.737 -2.924 25702 109 1 1 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.577 0.132 25702 110 1 1 . 1 1 20 20 LEU C C 20 174.429 174.429 175.389 -0.960 25702 111 1 1 . 1 1 20 20 LEU CA C 20 55.787 55.787 55.450 0.337 25702 112 1 1 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.429 0.132 25702 113 1 1 . 1 1 20 20 LEU H H 20 8.625 8.625 8.845 -0.220 25702 114 1 1 . 1 1 21 21 VAL N N 21 128.813 128.813 128.120 0.693 25702 115 1 1 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.729 -0.464 25702 116 1 1 . 1 1 21 21 VAL C C 21 174.618 174.618 173.625 0.993 25702 117 1 1 . 1 1 21 21 VAL CA C 21 61.583 61.583 60.510 1.073 25702 118 1 1 . 1 1 21 21 VAL CB C 21 34.577 34.577 34.037 0.540 25702 119 1 1 . 1 1 21 21 VAL H H 21 9.251 9.251 8.654 0.597 25702 120 1 1 . 1 1 22 22 VAL N N 22 130.243 130.243 129.516 0.727 25702 121 1 1 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.958 -0.695 25702 122 1 1 . 1 1 22 22 VAL C C 22 174.802 174.802 173.681 1.121 25702 123 1 1 . 1 1 22 22 VAL CA C 22 61.642 61.642 59.577 2.065 25702 124 1 1 . 1 1 22 22 VAL CB C 22 32.824 32.824 33.846 -1.022 25702 125 1 1 . 1 1 22 22 VAL H H 22 8.969 8.969 8.659 0.310 25702 126 1 1 . 1 1 23 23 VAL N N 23 125.526 125.526 129.993 -4.467 25702 127 1 1 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.913 -0.261 25702 128 1 1 . 1 1 23 23 VAL C C 23 174.086 174.086 175.122 -1.036 25702 129 1 1 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.350 1.433 25702 130 1 1 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.181 1.243 25702 131 1 1 . 1 1 23 23 VAL H H 23 9.555 9.555 9.294 0.261 25702 132 1 1 . 1 1 24 24 ALA N N 24 130.468 130.468 131.642 -1.174 25702 133 1 1 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.794 0.209 25702 134 1 1 . 1 1 24 24 ALA C C 24 175.093 175.093 175.703 -0.610 25702 135 1 1 . 1 1 24 24 ALA CA C 24 51.109 51.109 51.008 0.101 25702 136 1 1 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.145 0.398 25702 137 1 1 . 1 1 24 24 ALA H H 24 9.004 9.004 9.421 -0.417 25702 138 1 1 . 1 1 25 25 PHE N N 25 124.289 124.289 128.279 -3.990 25702 139 1 1 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.574 -0.555 25702 140 1 1 . 1 1 25 25 PHE C C 25 174.794 174.794 174.197 0.597 25702 141 1 1 . 1 1 25 25 PHE CA C 25 57.620 57.620 56.818 0.802 25702 142 1 1 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.423 -1.658 25702 143 1 1 . 1 1 25 25 PHE H H 25 9.455 9.455 9.185 0.270 25702 144 1 1 . 1 1 26 26 TYR N N 26 120.967 120.967 122.940 -1.973 25702 145 1 1 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.941 0.410 25702 146 1 1 . 1 1 26 26 TYR C C 26 171.352 171.352 172.644 -1.292 25702 147 1 1 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.588 -0.757 25702 148 1 1 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.367 2.567 25702 149 1 1 . 1 1 26 26 TYR H H 26 8.908 8.908 8.381 0.527 25702 150 1 1 . 1 1 27 27 ALA N N 27 119.133 119.133 120.595 -1.462 25702 151 1 1 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.640 -0.081 25702 152 1 1 . 1 1 27 27 ALA C C 27 179.092 179.092 177.812 1.280 25702 153 1 1 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.250 -0.096 25702 154 1 1 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.679 1.271 25702 155 1 1 . 1 1 27 27 ALA H H 27 6.962 6.962 8.413 -1.451 25702 156 1 1 . 1 1 28 28 THR N N 28 116.784 116.784 116.269 0.515 25702 157 1 1 . 1 1 28 28 THR HA H 28 3.867 3.867 4.136 -0.269 25702 158 1 1 . 1 1 28 28 THR C C 28 174.957 174.957 175.118 -0.161 25702 159 1 1 . 1 1 28 28 THR CA C 28 64.820 64.820 64.874 -0.054 25702 160 1 1 . 1 1 28 28 THR CB C 28 69.197 69.197 68.774 0.423 25702 161 1 1 . 1 1 28 28 THR H H 28 10.053 10.053 8.875 1.178 25702 162 1 1 . 1 1 29 29 TRP N N 29 114.763 114.763 118.408 -3.645 25702 163 1 1 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.674 -0.152 25702 164 1 1 . 1 1 29 29 TRP C C 29 175.478 175.478 175.682 -0.204 25702 165 1 1 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.671 -2.166 25702 166 1 1 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.317 1.027 25702 167 1 1 . 1 1 29 29 TRP H H 29 6.495 6.495 7.548 -1.053 25702 168 1 1 . 1 1 30 30 CYS N N 30 122.729 122.729 121.218 1.511 25702 169 1 1 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.318 0.173 25702 170 1 1 . 1 1 30 30 CYS CA C 30 58.502 58.502 59.204 -0.702 25702 171 1 1 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.721 -2.073 25702 172 1 1 . 1 1 30 30 CYS H H 30 6.484 6.484 7.271 -0.786 25702 173 1 1 . 1 1 33 33 CYS HA H 33 3.960 3.960 3.976 -0.016 25702 174 1 1 . 1 1 33 33 CYS C C 33 176.605 176.605 175.527 1.078 25702 175 1 1 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.768 2.795 25702 176 1 1 . 1 1 33 33 CYS CB C 33 28.227 28.227 26.387 1.840 25702 177 1 1 . 1 1 34 34 LYS N N 34 120.638 120.638 119.093 1.545 25702 178 1 1 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.924 -0.002 25702 179 1 1 . 1 1 34 34 LYS C C 34 178.623 178.623 177.332 1.291 25702 180 1 1 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.004 1.118 25702 181 1 1 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.758 0.429 25702 182 1 1 . 1 1 34 34 LYS H H 34 7.828 7.828 7.279 0.549 25702 183 1 1 . 1 1 35 35 MET N N 35 115.754 115.754 118.124 -2.370 25702 184 1 1 . 1 1 35 35 MET HA H 35 4.230 4.230 4.264 -0.034 25702 185 1 1 . 1 1 35 35 MET C C 35 177.927 177.927 177.059 0.868 25702 186 1 1 . 1 1 35 35 MET CA C 35 56.931 56.931 57.600 -0.669 25702 187 1 1 . 1 1 35 35 MET CB C 35 32.038 32.038 33.525 -1.487 25702 188 1 1 . 1 1 35 35 MET H H 35 7.612 7.612 7.676 -0.064 25702 189 1 1 . 1 1 36 36 ILE N N 36 114.905 114.905 119.790 -4.885 25702 190 1 1 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.785 0.467 25702 191 1 1 . 1 1 36 36 ILE C C 36 176.681 176.681 177.177 -0.496 25702 192 1 1 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.990 -1.847 25702 193 1 1 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.068 1.817 25702 194 1 1 . 1 1 36 36 ILE H H 36 7.399 7.399 7.382 0.017 25702 195 1 1 . 1 1 37 37 ALA N N 37 125.154 125.154 123.542 1.612 25702 196 1 1 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.950 0.129 25702 197 1 1 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.642 0.429 25702 198 1 1 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.011 -0.553 25702 199 1 1 . 1 1 37 37 ALA H H 37 7.587 7.587 7.479 0.108 25702 200 1 1 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.218 0.021 25702 201 1 1 . 1 1 38 38 PRO C C 38 179.456 179.456 178.009 1.447 25702 202 1 1 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.967 0.220 25702 203 1 1 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.589 -0.826 25702 204 1 1 . 1 1 39 39 MET N N 39 117.231 117.231 118.589 -1.358 25702 205 1 1 . 1 1 39 39 MET HA H 39 3.854 3.854 3.960 -0.106 25702 206 1 1 . 1 1 39 39 MET C C 39 177.388 177.388 177.451 -0.063 25702 207 1 1 . 1 1 39 39 MET CA C 39 57.916 57.916 58.911 -0.995 25702 208 1 1 . 1 1 39 39 MET CB C 39 32.238 32.238 32.362 -0.124 25702 209 1 1 . 1 1 39 39 MET H H 39 7.051 7.051 7.696 -0.645 25702 210 1 1 . 1 1 40 40 ILE N N 40 117.419 117.419 119.191 -1.772 25702 211 1 1 . 1 1 40 40 ILE HA H 40 3.675 3.675 2.558 1.117 25702 212 1 1 . 1 1 40 40 ILE C C 40 177.699 177.699 176.984 0.715 25702 213 1 1 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.301 -0.632 25702 214 1 1 . 1 1 40 40 ILE CB C 40 35.771 35.771 37.968 -2.197 25702 215 1 1 . 1 1 40 40 ILE H H 40 7.825 7.825 7.347 0.478 25702 216 1 1 . 1 1 41 41 GLU N N 41 119.014 119.014 120.117 -1.103 25702 217 1 1 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.774 -0.188 25702 218 1 1 . 1 1 41 41 GLU C C 41 180.065 180.065 178.730 1.335 25702 219 1 1 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.656 -0.248 25702 220 1 1 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.265 -0.791 25702 221 1 1 . 1 1 41 41 GLU H H 41 7.475 7.475 7.539 -0.064 25702 222 1 1 . 1 1 42 42 LYS N N 42 120.988 120.988 118.531 2.457 25702 223 1 1 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.918 -0.001 25702 224 1 1 . 1 1 42 42 LYS C C 42 179.895 179.895 179.149 0.746 25702 225 1 1 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.961 0.073 25702 226 1 1 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.095 -1.250 25702 227 1 1 . 1 1 42 42 LYS H H 42 7.402 7.402 7.671 -0.269 25702 228 1 1 . 1 1 43 43 PHE N N 43 118.946 118.946 119.420 -0.474 25702 229 1 1 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.972 -0.808 25702 230 1 1 . 1 1 43 43 PHE C C 43 177.806 177.806 177.585 0.221 25702 231 1 1 . 1 1 43 43 PHE CA C 43 60.022 60.022 58.846 1.176 25702 232 1 1 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.880 -0.460 25702 233 1 1 . 1 1 43 43 PHE H H 43 8.270 8.270 7.340 0.930 25702 234 1 1 . 1 1 44 44 SER N N 44 116.035 116.035 113.585 2.450 25702 235 1 1 . 1 1 44 44 SER HA H 44 2.873 2.873 4.289 -1.416 25702 236 1 1 . 1 1 44 44 SER C C 44 175.522 175.522 176.081 -0.559 25702 237 1 1 . 1 1 44 44 SER CA C 44 60.173 60.173 60.246 -0.073 25702 238 1 1 . 1 1 44 44 SER CB C 44 61.911 61.911 63.005 -1.094 25702 239 1 1 . 1 1 44 44 SER H H 44 7.763 7.763 7.679 0.084 25702 240 1 1 . 1 1 45 45 GLU N N 45 120.563 120.563 121.669 -1.106 25702 241 1 1 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.968 0.091 25702 242 1 1 . 1 1 45 45 GLU C C 45 177.798 177.798 177.530 0.268 25702 243 1 1 . 1 1 45 45 GLU CA C 45 57.303 57.303 59.013 -1.710 25702 244 1 1 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.657 -0.020 25702 245 1 1 . 1 1 45 45 GLU H H 45 6.888 6.888 7.730 -0.842 25702 246 1 1 . 1 1 46 46 GLN N N 46 118.400 118.400 116.697 1.703 25702 247 1 1 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.158 -0.231 25702 248 1 1 . 1 1 46 46 GLN C C 46 175.422 175.422 176.644 -1.222 25702 249 1 1 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.366 -0.333 25702 250 1 1 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.469 -0.779 25702 251 1 1 . 1 1 46 46 GLN H H 46 7.451 7.451 7.419 0.032 25702 252 1 1 . 1 1 47 47 TYR N N 47 115.979 115.979 115.234 0.745 25702 253 1 1 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.120 -0.137 25702 254 1 1 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.930 2.154 25702 255 1 1 . 1 1 47 47 TYR CB C 47 38.074 38.074 37.808 0.266 25702 256 1 1 . 1 1 47 47 TYR H H 47 7.433 7.433 7.455 -0.022 25702 257 1 1 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.639 0.072 25702 258 1 1 . 1 1 48 48 PRO C C 48 177.453 177.453 177.281 0.172 25702 259 1 1 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.012 0.282 25702 260 1 1 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.056 -0.186 25702 261 1 1 . 1 1 49 49 GLN N N 49 119.035 119.035 116.619 2.416 25702 262 1 1 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.247 0.113 25702 263 1 1 . 1 1 49 49 GLN C C 49 174.990 174.990 175.694 -0.704 25702 264 1 1 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.446 0.014 25702 265 1 1 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.600 0.179 25702 266 1 1 . 1 1 49 49 GLN H H 49 9.617 9.617 8.350 1.267 25702 267 1 1 . 1 1 50 50 ALA N N 50 127.008 127.008 121.810 5.198 25702 268 1 1 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.673 0.374 25702 269 1 1 . 1 1 50 50 ALA C C 50 175.173 175.173 176.611 -1.438 25702 270 1 1 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.746 -0.697 25702 271 1 1 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.347 0.819 25702 272 1 1 . 1 1 50 50 ALA H H 50 8.170 8.170 7.487 0.683 25702 273 1 1 . 1 1 51 51 ASP N N 51 120.039 120.039 121.482 -1.443 25702 274 1 1 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.406 0.699 25702 275 1 1 . 1 1 51 51 ASP C C 51 174.707 174.707 174.779 -0.072 25702 276 1 1 . 1 1 51 51 ASP CA C 51 53.004 53.004 54.202 -1.198 25702 277 1 1 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.581 1.692 25702 278 1 1 . 1 1 51 51 ASP H H 51 8.411 8.411 8.826 -0.415 25702 279 1 1 . 1 1 52 52 PHE N N 52 120.670 120.670 119.929 0.741 25702 280 1 1 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.010 0.169 25702 281 1 1 . 1 1 52 52 PHE C C 52 174.633 174.633 174.070 0.563 25702 282 1 1 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.481 1.231 25702 283 1 1 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.094 2.780 25702 284 1 1 . 1 1 52 52 PHE H H 52 8.943 8.943 7.225 1.718 25702 285 1 1 . 1 1 53 53 TYR N N 53 120.949 120.949 122.553 -1.604 25702 286 1 1 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.582 -0.105 25702 287 1 1 . 1 1 53 53 TYR C C 53 174.507 174.507 174.264 0.243 25702 288 1 1 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.523 -0.810 25702 289 1 1 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.886 2.956 25702 290 1 1 . 1 1 53 53 TYR H H 53 9.336 9.336 8.279 1.057 25702 291 1 1 . 1 1 54 54 LYS N N 54 115.771 115.771 119.161 -3.390 25702 292 1 1 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.397 0.102 25702 293 1 1 . 1 1 54 54 LYS C C 54 173.200 173.200 173.582 -0.382 25702 294 1 1 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.102 -1.607 25702 295 1 1 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.410 -1.454 25702 296 1 1 . 1 1 54 54 LYS H H 54 8.451 8.451 8.996 -0.545 25702 297 1 1 . 1 1 55 55 LEU N N 55 123.037 123.037 120.978 2.059 25702 298 1 1 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.880 -0.409 25702 299 1 1 . 1 1 55 55 LEU C C 55 172.053 172.053 173.272 -1.219 25702 300 1 1 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.051 1.335 25702 301 1 1 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.157 -0.344 25702 302 1 1 . 1 1 55 55 LEU H H 55 8.783 8.783 8.618 0.165 25702 303 1 1 . 1 1 56 56 ASP N N 56 126.250 126.250 124.664 1.586 25702 304 1 1 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.173 -1.016 25702 305 1 1 . 1 1 56 56 ASP C C 56 178.219 178.219 177.493 0.726 25702 306 1 1 . 1 1 56 56 ASP CA C 56 52.242 52.242 53.589 -1.347 25702 307 1 1 . 1 1 56 56 ASP CB C 56 40.748 40.748 42.397 -1.649 25702 308 1 1 . 1 1 56 56 ASP H H 56 8.580 8.580 8.544 0.036 25702 309 1 1 . 1 1 57 57 VAL N N 57 123.015 123.015 121.253 1.762 25702 310 1 1 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.185 -0.769 25702 311 1 1 . 1 1 57 57 VAL C C 57 175.672 175.672 175.981 -0.309 25702 312 1 1 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.911 -0.215 25702 313 1 1 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.781 -0.778 25702 314 1 1 . 1 1 57 57 VAL H H 57 8.767 8.767 8.772 -0.005 25702 315 1 1 . 1 1 58 58 ASP N N 58 118.536 118.536 118.380 0.156 25702 316 1 1 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.596 0.099 25702 317 1 1 . 1 1 58 58 ASP C C 58 177.541 177.541 177.486 0.055 25702 318 1 1 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.946 -0.787 25702 319 1 1 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.225 -0.755 25702 320 1 1 . 1 1 58 58 ASP H H 58 8.653 8.653 8.395 0.258 25702 321 1 1 . 1 1 59 59 GLU N N 59 119.610 119.610 118.899 0.711 25702 322 1 1 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.335 0.018 25702 323 1 1 . 1 1 59 59 GLU C C 59 177.106 177.106 176.931 0.175 25702 324 1 1 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.488 -0.119 25702 325 1 1 . 1 1 59 59 GLU CB C 59 31.700 31.700 31.089 0.611 25702 326 1 1 . 1 1 59 59 GLU H H 59 7.596 7.596 7.791 -0.195 25702 327 1 1 . 1 1 60 60 LEU N N 60 121.513 121.513 120.359 1.154 25702 328 1 1 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.715 0.197 25702 329 1 1 . 1 1 60 60 LEU C C 60 177.050 177.050 176.449 0.601 25702 330 1 1 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.624 -1.260 25702 331 1 1 . 1 1 60 60 LEU CB C 60 41.622 41.622 42.186 -0.564 25702 332 1 1 . 1 1 60 60 LEU H H 60 7.689 7.689 8.322 -0.633 25702 333 1 1 . 1 1 61 61 GLY N N 61 111.170 111.170 110.714 0.456 25702 334 1 1 . 1 1 61 61 GLY C C 61 176.313 176.313 175.383 0.930 25702 335 1 1 . 1 1 61 61 GLY CA C 61 48.223 48.223 46.655 1.568 25702 336 1 1 . 1 1 61 61 GLY H H 61 8.218 8.218 8.831 -0.613 25702 337 1 1 . 1 1 62 62 ASP N N 62 119.711 119.711 122.026 -2.315 25702 338 1 1 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.468 -0.150 25702 339 1 1 . 1 1 62 62 ASP C C 62 178.935 178.935 177.973 0.962 25702 340 1 1 . 1 1 62 62 ASP CA C 62 56.679 56.679 57.363 -0.684 25702 341 1 1 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.531 -1.268 25702 342 1 1 . 1 1 62 62 ASP H H 62 9.141 9.141 8.501 0.640 25702 343 1 1 . 1 1 63 63 VAL N N 63 120.511 120.511 120.278 0.233 25702 344 1 1 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.632 -0.309 25702 345 1 1 . 1 1 63 63 VAL C C 63 179.266 179.266 177.262 2.004 25702 346 1 1 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.507 -0.113 25702 347 1 1 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.577 -0.285 25702 348 1 1 . 1 1 63 63 VAL H H 63 7.275 7.275 7.909 -0.634 25702 349 1 1 . 1 1 64 64 ALA N N 64 122.711 122.711 120.543 2.168 25702 350 1 1 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.270 0.520 25702 351 1 1 . 1 1 64 64 ALA C C 64 178.540 178.540 179.739 -1.199 25702 352 1 1 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.172 0.713 25702 353 1 1 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.210 -0.394 25702 354 1 1 . 1 1 64 64 ALA H H 64 7.264 7.264 7.742 -0.478 25702 355 1 1 . 1 1 65 65 GLN N N 65 117.988 117.988 116.881 1.107 25702 356 1 1 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.031 0.026 25702 357 1 1 . 1 1 65 65 GLN C C 65 180.544 180.544 178.604 1.940 25702 358 1 1 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.710 1.299 25702 359 1 1 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.448 -0.146 25702 360 1 1 . 1 1 65 65 GLN H H 65 8.344 8.344 7.701 0.643 25702 361 1 1 . 1 1 66 66 LYS N N 66 120.050 120.050 119.152 0.898 25702 362 1 1 . 1 1 66 66 LYS HA H 66 4.054 4.054 3.979 0.075 25702 363 1 1 . 1 1 66 66 LYS C C 66 176.954 176.954 177.168 -0.214 25702 364 1 1 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.158 0.659 25702 365 1 1 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.043 0.136 25702 366 1 1 . 1 1 66 66 LYS H H 66 7.971 7.971 7.692 0.279 25702 367 1 1 . 1 1 67 67 ASN N N 67 114.553 114.553 113.958 0.595 25702 368 1 1 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.534 0.242 25702 369 1 1 . 1 1 67 67 ASN C C 67 171.614 171.614 173.934 -2.320 25702 370 1 1 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.705 1.375 25702 371 1 1 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.306 1.802 25702 372 1 1 . 1 1 67 67 ASN H H 67 7.064 7.064 7.220 -0.156 25702 373 1 1 . 1 1 68 68 GLU N N 68 114.491 114.491 113.605 0.886 25702 374 1 1 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.887 -0.146 25702 375 1 1 . 1 1 68 68 GLU C C 68 175.660 175.660 174.293 1.367 25702 376 1 1 . 1 1 68 68 GLU CA C 68 57.006 57.006 56.934 0.072 25702 377 1 1 . 1 1 68 68 GLU CB C 68 26.972 26.972 27.979 -1.007 25702 378 1 1 . 1 1 68 68 GLU H H 68 7.755 7.755 7.291 0.464 25702 379 1 1 . 1 1 69 69 VAL N N 69 120.375 120.375 118.899 1.476 25702 380 1 1 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.312 -0.408 25702 381 1 1 . 1 1 69 69 VAL C C 69 175.415 175.415 174.110 1.305 25702 382 1 1 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.175 1.695 25702 383 1 1 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.459 -0.545 25702 384 1 1 . 1 1 69 69 VAL H H 69 7.787 7.787 7.813 -0.026 25702 385 1 1 . 1 1 70 70 SER N N 70 121.558 121.558 124.073 -2.515 25702 386 1 1 . 1 1 70 70 SER HA H 70 4.488 4.488 4.532 -0.044 25702 387 1 1 . 1 1 70 70 SER C C 70 172.616 172.616 174.848 -2.232 25702 388 1 1 . 1 1 70 70 SER CA C 70 57.728 57.728 58.535 -0.807 25702 389 1 1 . 1 1 70 70 SER CB C 70 64.713 64.713 64.089 0.624 25702 390 1 1 . 1 1 70 70 SER H H 70 8.565 8.565 8.611 -0.046 25702 391 1 1 . 1 1 71 71 ALA N N 71 125.848 125.848 124.335 1.513 25702 392 1 1 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.568 0.011 25702 393 1 1 . 1 1 71 71 ALA C C 71 175.531 175.531 175.893 -0.362 25702 394 1 1 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.805 -0.313 25702 395 1 1 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.038 1.324 25702 396 1 1 . 1 1 71 71 ALA H H 71 7.861 7.861 8.184 -0.323 25702 397 1 1 . 1 1 72 72 MET N N 72 118.991 118.991 117.178 1.813 25702 398 1 1 . 1 1 72 72 MET HA H 72 4.879 4.879 5.164 -0.285 25702 399 1 1 . 1 1 72 72 MET CA C 72 51.907 51.907 52.494 -0.587 25702 400 1 1 . 1 1 72 72 MET CB C 72 35.595 35.595 35.570 0.025 25702 401 1 1 . 1 1 72 72 MET H H 72 8.553 8.553 8.217 0.336 25702 402 1 1 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.844 0.162 25702 403 1 1 . 1 1 73 73 PRO C C 73 176.015 176.015 176.165 -0.150 25702 404 1 1 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.467 0.562 25702 405 1 1 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.132 1.233 25702 406 1 1 . 1 1 74 74 THR N N 74 114.577 114.577 117.771 -3.194 25702 407 1 1 . 1 1 74 74 THR HA H 74 5.013 5.013 5.047 -0.034 25702 408 1 1 . 1 1 74 74 THR C C 74 171.538 171.538 173.538 -2.000 25702 409 1 1 . 1 1 74 74 THR CA C 74 63.556 63.556 62.176 1.380 25702 410 1 1 . 1 1 74 74 THR CB C 74 73.238 73.238 72.178 1.060 25702 411 1 1 . 1 1 74 74 THR H H 74 7.772 7.772 9.192 -1.420 25702 412 1 1 . 1 1 75 75 LEU N N 75 131.086 131.086 125.772 5.314 25702 413 1 1 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.546 -0.060 25702 414 1 1 . 1 1 75 75 LEU C C 75 174.827 174.827 175.239 -0.412 25702 415 1 1 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.359 -1.037 25702 416 1 1 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.364 -0.215 25702 417 1 1 . 1 1 75 75 LEU H H 75 9.517 9.517 9.408 0.109 25702 418 1 1 . 1 1 76 76 LEU N N 76 123.573 123.573 124.969 -1.396 25702 419 1 1 . 1 1 76 76 LEU HA H 76 4.903 4.903 5.112 -0.208 25702 420 1 1 . 1 1 76 76 LEU C C 76 174.229 174.229 175.599 -1.370 25702 421 1 1 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.861 -0.374 25702 422 1 1 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.192 0.878 25702 423 1 1 . 1 1 76 76 LEU H H 76 9.214 9.214 9.210 0.004 25702 424 1 1 . 1 1 77 77 LEU N N 77 123.032 123.032 125.418 -2.386 25702 425 1 1 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.542 -0.294 25702 426 1 1 . 1 1 77 77 LEU C C 77 174.961 174.961 176.075 -1.114 25702 427 1 1 . 1 1 77 77 LEU CA C 77 54.729 54.729 54.286 0.443 25702 428 1 1 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.956 -0.265 25702 429 1 1 . 1 1 77 77 LEU H H 77 8.189 8.189 8.657 -0.468 25702 430 1 1 . 1 1 78 78 PHE N N 78 121.929 121.929 122.505 -0.576 25702 431 1 1 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.936 0.461 25702 432 1 1 . 1 1 78 78 PHE C C 78 174.427 174.427 174.018 0.409 25702 433 1 1 . 1 1 78 78 PHE CA C 78 56.381 56.381 57.020 -0.639 25702 434 1 1 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.290 0.028 25702 435 1 1 . 1 1 78 78 PHE H H 78 9.748 9.748 9.392 0.356 25702 436 1 1 . 1 1 79 79 LYS N N 79 117.221 117.221 120.123 -2.902 25702 437 1 1 . 1 1 79 79 LYS HA H 79 4.813 4.813 4.814 -0.001 25702 438 1 1 . 1 1 79 79 LYS C C 79 177.709 177.709 176.293 1.416 25702 439 1 1 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.648 1.774 25702 440 1 1 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.618 0.652 25702 441 1 1 . 1 1 79 79 LYS H H 79 8.741 8.741 9.186 -0.445 25702 442 1 1 . 1 1 80 80 ASN N N 80 125.563 125.563 126.115 -0.552 25702 443 1 1 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.491 -0.186 25702 444 1 1 . 1 1 80 80 ASN C C 80 175.395 175.395 175.278 0.117 25702 445 1 1 . 1 1 80 80 ASN CA C 80 54.469 54.469 54.004 0.465 25702 446 1 1 . 1 1 80 80 ASN CB C 80 37.671 37.671 37.233 0.438 25702 447 1 1 . 1 1 80 80 ASN H H 80 8.890 8.890 9.244 -0.354 25702 448 1 1 . 1 1 81 81 GLY N N 81 102.976 102.976 104.210 -1.234 25702 449 1 1 . 1 1 81 81 GLY C C 81 173.223 173.223 173.444 -0.221 25702 450 1 1 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.700 -0.056 25702 451 1 1 . 1 1 81 81 GLY H H 81 8.640 8.640 8.658 -0.018 25702 452 1 1 . 1 1 82 82 LYS N N 82 119.280 119.280 119.682 -0.402 25702 453 1 1 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.907 -0.184 25702 454 1 1 . 1 1 82 82 LYS C C 82 174.897 174.897 174.950 -0.053 25702 455 1 1 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.322 0.033 25702 456 1 1 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.039 0.288 25702 457 1 1 . 1 1 82 82 LYS H H 82 7.583 7.583 7.614 -0.031 25702 458 1 1 . 1 1 83 83 GLU N N 83 125.460 125.460 119.822 5.638 25702 459 1 1 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.428 0.431 25702 460 1 1 . 1 1 83 83 GLU C C 83 177.249 177.249 177.025 0.224 25702 461 1 1 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.503 -0.544 25702 462 1 1 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.230 0.282 25702 463 1 1 . 1 1 83 83 GLU H H 83 8.818 8.818 8.694 0.124 25702 464 1 1 . 1 1 84 84 VAL N N 84 121.989 121.989 113.806 8.183 25702 465 1 1 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.384 0.038 25702 466 1 1 . 1 1 84 84 VAL C C 84 175.625 175.625 175.039 0.586 25702 467 1 1 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.905 -0.822 25702 468 1 1 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.314 -1.223 25702 469 1 1 . 1 1 84 84 VAL H H 84 9.281 9.281 8.272 1.009 25702 470 1 1 . 1 1 85 85 ALA N N 85 121.284 121.284 123.221 -1.937 25702 471 1 1 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.550 -0.151 25702 472 1 1 . 1 1 85 85 ALA C C 85 173.805 173.805 174.651 -0.846 25702 473 1 1 . 1 1 85 85 ALA CA C 85 52.656 52.656 51.909 0.747 25702 474 1 1 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.778 0.209 25702 475 1 1 . 1 1 85 85 ALA H H 85 7.564 7.564 7.615 -0.051 25702 476 1 1 . 1 1 86 86 LYS N N 86 119.558 119.558 123.453 -3.895 25702 477 1 1 . 1 1 86 86 LYS HA H 86 4.946 4.946 4.947 -0.001 25702 478 1 1 . 1 1 86 86 LYS C C 86 174.999 174.999 174.778 0.221 25702 479 1 1 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.592 -0.253 25702 480 1 1 . 1 1 86 86 LYS CB C 86 35.605 35.605 34.733 0.872 25702 481 1 1 . 1 1 86 86 LYS H H 86 8.000 8.000 8.287 -0.287 25702 482 1 1 . 1 1 87 87 VAL N N 87 126.118 126.118 125.894 0.224 25702 483 1 1 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.485 0.218 25702 484 1 1 . 1 1 87 87 VAL C C 87 174.516 174.516 175.021 -0.505 25702 485 1 1 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.103 0.276 25702 486 1 1 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.621 -1.434 25702 487 1 1 . 1 1 87 87 VAL H H 87 9.198 9.198 9.235 -0.037 25702 488 1 1 . 1 1 88 88 VAL N N 88 128.549 128.549 119.322 9.227 25702 489 1 1 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.873 -0.419 25702 490 1 1 . 1 1 88 88 VAL C C 88 176.142 176.142 175.170 0.972 25702 491 1 1 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.043 0.939 25702 492 1 1 . 1 1 88 88 VAL CB C 88 32.641 32.641 31.900 0.741 25702 493 1 1 . 1 1 88 88 VAL H H 88 9.031 9.031 8.523 0.508 25702 494 1 1 . 1 1 89 89 GLY N N 89 114.516 114.516 107.528 6.988 25702 495 1 1 . 1 1 89 89 GLY C C 89 173.063 173.063 173.344 -0.281 25702 496 1 1 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.364 -1.858 25702 497 1 1 . 1 1 89 89 GLY H H 89 8.379 8.379 7.548 0.831 25702 498 1 1 . 1 1 90 90 ALA N N 90 122.292 122.292 124.439 -2.147 25702 499 1 1 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.231 -0.036 25702 500 1 1 . 1 1 90 90 ALA C C 90 174.897 174.897 176.905 -2.008 25702 501 1 1 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.682 -2.243 25702 502 1 1 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.598 -0.717 25702 503 1 1 . 1 1 90 90 ALA H H 90 8.592 8.592 8.524 0.068 25702 504 1 1 . 1 1 91 91 ASN N N 91 120.220 120.220 125.165 -4.945 25702 505 1 1 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.114 -0.003 25702 506 1 1 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.896 0.116 25702 507 1 1 . 1 1 91 91 ASN CB C 91 38.978 38.978 40.569 -1.591 25702 508 1 1 . 1 1 91 91 ASN H H 91 7.386 7.386 8.513 -1.127 25702 509 1 1 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.224 -0.196 25702 510 1 1 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.653 -4.556 25702 511 1 1 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.321 -0.226 25702 512 1 1 . 1 1 93 93 ALA C C 93 180.205 180.205 179.577 0.628 25702 513 1 1 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.611 0.555 25702 514 1 1 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.146 -0.165 25702 515 1 1 . 1 1 94 94 ALA N N 94 120.499 120.499 121.756 -1.257 25702 516 1 1 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.204 -0.143 25702 517 1 1 . 1 1 94 94 ALA C C 94 180.917 180.917 180.003 0.914 25702 518 1 1 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.892 -0.632 25702 519 1 1 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.422 0.376 25702 520 1 1 . 1 1 94 94 ALA H H 94 7.223 7.223 8.432 -1.209 25702 521 1 1 . 1 1 95 95 ILE N N 95 119.397 119.397 117.680 1.717 25702 522 1 1 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.847 -0.495 25702 523 1 1 . 1 1 95 95 ILE C C 95 176.217 176.217 177.050 -0.833 25702 524 1 1 . 1 1 95 95 ILE CA C 95 65.953 65.953 61.910 4.043 25702 525 1 1 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.816 1.564 25702 526 1 1 . 1 1 95 95 ILE H H 95 7.772 7.772 8.707 -0.935 25702 527 1 1 . 1 1 96 96 LYS N N 96 118.919 118.919 122.116 -3.197 25702 528 1 1 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.509 -0.492 25702 529 1 1 . 1 1 96 96 LYS C C 96 177.824 177.824 178.889 -1.065 25702 530 1 1 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.478 1.148 25702 531 1 1 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.238 -0.073 25702 532 1 1 . 1 1 96 96 LYS H H 96 8.112 8.112 7.427 0.685 25702 533 1 1 . 1 1 97 97 GLN N N 97 115.480 115.480 118.569 -3.089 25702 534 1 1 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.027 -0.175 25702 535 1 1 . 1 1 97 97 GLN C C 97 178.014 178.014 177.870 0.144 25702 536 1 1 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.116 0.467 25702 537 1 1 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.081 0.263 25702 538 1 1 . 1 1 97 97 GLN H H 97 7.686 7.686 8.338 -0.652 25702 539 1 1 . 1 1 98 98 ALA N N 98 120.911 120.911 123.352 -2.441 25702 540 1 1 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.987 -0.057 25702 541 1 1 . 1 1 98 98 ALA C C 98 179.544 179.544 179.469 0.075 25702 542 1 1 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.055 -0.306 25702 543 1 1 . 1 1 98 98 ALA CB C 98 17.915 17.915 17.962 -0.047 25702 544 1 1 . 1 1 98 98 ALA H H 98 7.446 7.446 7.338 0.108 25702 545 1 1 . 1 1 99 99 ILE N N 99 117.780 117.780 118.262 -0.482 25702 546 1 1 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.565 -0.518 25702 547 1 1 . 1 1 99 99 ILE C C 99 177.087 177.087 178.252 -1.165 25702 548 1 1 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.806 2.653 25702 549 1 1 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.892 2.240 25702 550 1 1 . 1 1 99 99 ILE H H 99 7.735 7.735 8.364 -0.629 25702 551 1 1 . 1 1 100 100 ALA N N 100 119.516 119.516 120.989 -1.473 25702 552 1 1 . 1 1 100 100 ALA C C 100 180.431 180.431 178.699 1.732 25702 553 1 1 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.317 0.928 25702 554 1 1 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.006 0.287 25702 555 1 1 . 1 1 100 100 ALA H H 100 8.214 8.214 7.476 0.738 25702 556 1 1 . 1 1 101 101 ALA N N 101 115.674 115.674 121.677 -6.003 25702 557 1 1 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.036 0.034 25702 558 1 1 . 1 1 101 101 ALA C C 101 178.213 178.213 179.311 -1.098 25702 559 1 1 . 1 1 101 101 ALA CA C 101 53.884 53.884 54.174 -0.290 25702 560 1 1 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.193 -0.150 25702 561 1 1 . 1 1 101 101 ALA H H 101 7.619 7.619 7.587 0.032 25702 562 1 1 . 1 1 102 102 ASN N N 102 115.986 115.986 114.750 1.236 25702 563 1 1 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.545 0.239 25702 564 1 1 . 1 1 102 102 ASN C C 102 172.740 172.740 175.714 -2.974 25702 565 1 1 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.553 -0.253 25702 566 1 1 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.223 3.666 25702 567 1 1 . 1 1 102 102 ASN H H 102 7.116 7.116 8.305 -1.189 25702 568 1 2 . 1 1 2 2 VAL N N 2 125.020 125.020 125.963 -0.943 25702 569 1 2 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.109 -0.031 25702 570 1 2 . 1 1 2 2 VAL C C 2 175.261 175.261 175.976 -0.715 25702 571 1 2 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.872 -0.823 25702 572 1 2 . 1 1 2 2 VAL CB C 2 32.667 32.667 32.540 0.127 25702 573 1 2 . 1 1 2 2 VAL H H 2 8.590 8.590 8.402 0.188 25702 574 1 2 . 1 1 3 3 THR N N 3 125.759 125.759 124.355 1.404 25702 575 1 2 . 1 1 3 3 THR HA H 3 4.138 4.138 4.414 -0.276 25702 576 1 2 . 1 1 3 3 THR C C 3 173.129 173.129 173.216 -0.087 25702 577 1 2 . 1 1 3 3 THR CA C 3 62.804 62.804 62.429 0.375 25702 578 1 2 . 1 1 3 3 THR CB C 3 69.547 69.547 69.878 -0.331 25702 579 1 2 . 1 1 3 3 THR H H 3 7.778 7.778 8.459 -0.681 25702 580 1 2 . 1 1 4 4 GLN N N 4 127.746 127.746 124.543 3.203 25702 581 1 2 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.708 0.031 25702 582 1 2 . 1 1 4 4 GLN C C 4 176.754 176.754 175.515 1.239 25702 583 1 2 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.597 -1.162 25702 584 1 2 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.939 -0.409 25702 585 1 2 . 1 1 4 4 GLN H H 4 8.975 8.975 8.488 0.487 25702 586 1 2 . 1 1 5 5 PHE N N 5 126.242 126.242 124.582 1.660 25702 587 1 2 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.888 -0.071 25702 588 1 2 . 1 1 5 5 PHE C C 5 176.102 176.102 176.308 -0.206 25702 589 1 2 . 1 1 5 5 PHE CA C 5 58.528 58.528 55.698 2.830 25702 590 1 2 . 1 1 5 5 PHE CB C 5 40.520 40.520 41.044 -0.524 25702 591 1 2 . 1 1 5 5 PHE H H 5 8.422 8.422 8.945 -0.523 25702 592 1 2 . 1 1 6 6 LYS N N 6 119.482 119.482 117.946 1.536 25702 593 1 2 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.588 0.033 25702 594 1 2 . 1 1 6 6 LYS C C 6 176.994 176.994 175.828 1.166 25702 595 1 2 . 1 1 6 6 LYS CA C 6 56.015 56.015 55.824 0.191 25702 596 1 2 . 1 1 6 6 LYS CB C 6 34.132 34.132 35.684 -1.552 25702 597 1 2 . 1 1 6 6 LYS H H 6 9.822 9.822 9.557 0.265 25702 598 1 2 . 1 1 7 7 THR N N 7 107.464 107.464 109.940 -2.476 25702 599 1 2 . 1 1 7 7 THR HA H 7 4.597 4.597 4.623 -0.026 25702 600 1 2 . 1 1 7 7 THR C C 7 173.921 173.921 174.448 -0.527 25702 601 1 2 . 1 1 7 7 THR CA C 7 59.155 59.155 59.526 -0.371 25702 602 1 2 . 1 1 7 7 THR CB C 7 72.660 72.660 72.461 0.199 25702 603 1 2 . 1 1 7 7 THR H H 7 7.484 7.484 7.579 -0.095 25702 604 1 2 . 1 1 8 8 ALA N N 8 123.987 123.987 124.396 -0.409 25702 605 1 2 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.090 -0.381 25702 606 1 2 . 1 1 8 8 ALA C C 8 179.409 179.409 179.096 0.313 25702 607 1 2 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.529 0.473 25702 608 1 2 . 1 1 8 8 ALA CB C 8 18.090 18.090 17.985 0.105 25702 609 1 2 . 1 1 8 8 ALA H H 8 9.031 9.031 8.833 0.198 25702 610 1 2 . 1 1 9 9 SER N N 9 112.387 112.387 114.647 -2.260 25702 611 1 2 . 1 1 9 9 SER HA H 9 4.127 4.127 4.016 0.111 25702 612 1 2 . 1 1 9 9 SER C C 9 177.070 177.070 176.896 0.174 25702 613 1 2 . 1 1 9 9 SER CA C 9 61.109 61.109 61.942 -0.833 25702 614 1 2 . 1 1 9 9 SER CB C 9 62.226 62.226 62.616 -0.390 25702 615 1 2 . 1 1 9 9 SER H H 9 8.161 8.161 8.503 -0.342 25702 616 1 2 . 1 1 10 10 GLU N N 10 121.941 121.941 121.685 0.256 25702 617 1 2 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.768 0.083 25702 618 1 2 . 1 1 10 10 GLU C C 10 178.776 178.776 178.137 0.639 25702 619 1 2 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.701 -0.018 25702 620 1 2 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.117 1.887 25702 621 1 2 . 1 1 10 10 GLU H H 10 7.522 7.522 7.337 0.185 25702 622 1 2 . 1 1 11 11 PHE N N 11 120.541 120.541 119.617 0.924 25702 623 1 2 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.129 -0.283 25702 624 1 2 . 1 1 11 11 PHE C C 11 174.944 174.944 176.831 -1.887 25702 625 1 2 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.715 -0.008 25702 626 1 2 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.945 -1.207 25702 627 1 2 . 1 1 11 11 PHE H H 11 6.624 6.624 7.191 -0.567 25702 628 1 2 . 1 1 12 12 ASP N N 12 117.847 117.847 118.843 -0.996 25702 629 1 2 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.154 -0.323 25702 630 1 2 . 1 1 12 12 ASP C C 12 178.767 178.767 178.549 0.218 25702 631 1 2 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.502 -0.284 25702 632 1 2 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.647 -0.348 25702 633 1 2 . 1 1 12 12 ASP H H 12 7.637 7.637 8.335 -0.698 25702 634 1 2 . 1 1 13 13 SER N N 13 111.904 111.904 115.632 -3.728 25702 635 1 2 . 1 1 13 13 SER HA H 13 4.034 4.034 4.081 -0.047 25702 636 1 2 . 1 1 13 13 SER C C 13 176.341 176.341 175.705 0.636 25702 637 1 2 . 1 1 13 13 SER CA C 13 60.857 60.857 61.108 -0.251 25702 638 1 2 . 1 1 13 13 SER CB C 13 63.144 63.144 63.225 -0.081 25702 639 1 2 . 1 1 13 13 SER H H 13 7.539 7.539 8.190 -0.651 25702 640 1 2 . 1 1 14 14 ALA N N 14 123.793 123.793 121.647 2.146 25702 641 1 2 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.003 0.024 25702 642 1 2 . 1 1 14 14 ALA C C 14 180.358 180.358 179.907 0.451 25702 643 1 2 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.123 0.717 25702 644 1 2 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.521 0.305 25702 645 1 2 . 1 1 14 14 ALA H H 14 7.647 7.647 7.208 0.439 25702 646 1 2 . 1 1 15 15 ILE N N 15 106.782 106.782 119.489 -12.707 25702 647 1 2 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.620 0.100 25702 648 1 2 . 1 1 15 15 ILE C C 15 176.012 176.012 177.939 -1.927 25702 649 1 2 . 1 1 15 15 ILE CA C 15 63.495 63.495 62.098 1.397 25702 650 1 2 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.057 1.738 25702 651 1 2 . 1 1 15 15 ILE H H 15 7.146 7.146 7.703 -0.557 25702 652 1 2 . 1 1 16 16 ALA N N 16 122.248 122.248 119.071 3.177 25702 653 1 2 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.257 -0.226 25702 654 1 2 . 1 1 16 16 ALA C C 16 177.072 177.072 177.369 -0.297 25702 655 1 2 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.405 -0.655 25702 656 1 2 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.343 0.027 25702 657 1 2 . 1 1 16 16 ALA H H 16 6.627 6.627 7.551 -0.924 25702 658 1 2 . 1 1 17 17 GLN N N 17 115.254 115.254 119.120 -3.866 25702 659 1 2 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.306 -0.087 25702 660 1 2 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.390 0.508 25702 661 1 2 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.754 4.210 25702 662 1 2 . 1 1 17 17 GLN H H 17 7.136 7.136 7.350 -0.214 25702 663 1 2 . 1 1 18 18 ASP N N 18 122.840 122.840 125.702 -2.862 25702 664 1 2 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.569 -0.037 25702 665 1 2 . 1 1 18 18 ASP C C 18 175.348 175.348 175.038 0.310 25702 666 1 2 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.650 -1.140 25702 667 1 2 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.218 -0.168 25702 668 1 2 . 1 1 18 18 ASP H H 18 8.644 8.644 8.810 -0.166 25702 669 1 2 . 1 1 19 19 LYS N N 19 118.503 118.503 114.770 3.733 25702 670 1 2 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.473 -0.090 25702 671 1 2 . 1 1 19 19 LYS C C 19 173.289 173.289 174.621 -1.332 25702 672 1 2 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.398 0.323 25702 673 1 2 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.793 -0.577 25702 674 1 2 . 1 1 19 19 LYS H H 19 7.939 7.939 7.735 0.204 25702 675 1 2 . 1 1 20 20 LEU N N 20 120.813 120.813 123.689 -2.876 25702 676 1 2 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.820 -0.111 25702 677 1 2 . 1 1 20 20 LEU C C 20 174.429 174.429 175.885 -1.456 25702 678 1 2 . 1 1 20 20 LEU CA C 20 55.787 55.787 55.273 0.514 25702 679 1 2 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.713 -0.152 25702 680 1 2 . 1 1 20 20 LEU H H 20 8.625 8.625 8.739 -0.114 25702 681 1 2 . 1 1 21 21 VAL N N 21 128.813 128.813 128.438 0.375 25702 682 1 2 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.269 -0.004 25702 683 1 2 . 1 1 21 21 VAL C C 21 174.618 174.618 174.873 -0.255 25702 684 1 2 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.628 -0.045 25702 685 1 2 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.221 2.356 25702 686 1 2 . 1 1 21 21 VAL H H 21 9.251 9.251 9.299 -0.048 25702 687 1 2 . 1 1 22 22 VAL N N 22 130.243 130.243 129.642 0.601 25702 688 1 2 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.288 -0.025 25702 689 1 2 . 1 1 22 22 VAL C C 22 174.802 174.802 174.563 0.239 25702 690 1 2 . 1 1 22 22 VAL CA C 22 61.642 61.642 62.158 -0.516 25702 691 1 2 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.784 1.040 25702 692 1 2 . 1 1 22 22 VAL H H 22 8.969 8.969 9.224 -0.255 25702 693 1 2 . 1 1 23 23 VAL N N 23 125.526 125.526 129.039 -3.513 25702 694 1 2 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.756 -0.104 25702 695 1 2 . 1 1 23 23 VAL C C 23 174.086 174.086 174.662 -0.576 25702 696 1 2 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.951 0.832 25702 697 1 2 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.548 0.876 25702 698 1 2 . 1 1 23 23 VAL H H 23 9.555 9.555 8.818 0.737 25702 699 1 2 . 1 1 24 24 ALA N N 24 130.468 130.468 131.127 -0.659 25702 700 1 2 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.927 0.076 25702 701 1 2 . 1 1 24 24 ALA C C 24 175.093 175.093 175.911 -0.818 25702 702 1 2 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.862 0.247 25702 703 1 2 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.592 -0.049 25702 704 1 2 . 1 1 24 24 ALA H H 24 9.004 9.004 9.328 -0.324 25702 705 1 2 . 1 1 25 25 PHE N N 25 124.289 124.289 126.037 -1.748 25702 706 1 2 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.430 -0.411 25702 707 1 2 . 1 1 25 25 PHE C C 25 174.794 174.794 174.745 0.049 25702 708 1 2 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.774 1.846 25702 709 1 2 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.212 -1.447 25702 710 1 2 . 1 1 25 25 PHE H H 25 9.455 9.455 9.152 0.303 25702 711 1 2 . 1 1 26 26 TYR N N 26 120.967 120.967 120.450 0.517 25702 712 1 2 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.873 0.478 25702 713 1 2 . 1 1 26 26 TYR C C 26 171.352 171.352 172.746 -1.394 25702 714 1 2 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.867 -1.036 25702 715 1 2 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.408 2.526 25702 716 1 2 . 1 1 26 26 TYR H H 26 8.908 8.908 8.412 0.496 25702 717 1 2 . 1 1 27 27 ALA N N 27 119.133 119.133 120.926 -1.793 25702 718 1 2 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.503 -0.944 25702 719 1 2 . 1 1 27 27 ALA C C 27 179.092 179.092 178.253 0.839 25702 720 1 2 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.473 0.681 25702 721 1 2 . 1 1 27 27 ALA CB C 27 21.950 21.950 21.226 0.724 25702 722 1 2 . 1 1 27 27 ALA H H 27 6.962 6.962 8.358 -1.396 25702 723 1 2 . 1 1 28 28 THR N N 28 116.784 116.784 116.654 0.130 25702 724 1 2 . 1 1 28 28 THR HA H 28 3.867 3.867 4.157 -0.290 25702 725 1 2 . 1 1 28 28 THR C C 28 174.957 174.957 175.421 -0.464 25702 726 1 2 . 1 1 28 28 THR CA C 28 64.820 64.820 64.350 0.470 25702 727 1 2 . 1 1 28 28 THR CB C 28 69.197 69.197 69.119 0.078 25702 728 1 2 . 1 1 28 28 THR H H 28 10.053 10.053 9.392 0.661 25702 729 1 2 . 1 1 29 29 TRP N N 29 114.763 114.763 118.257 -3.494 25702 730 1 2 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.757 -0.235 25702 731 1 2 . 1 1 29 29 TRP C C 29 175.478 175.478 176.000 -0.522 25702 732 1 2 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.136 -1.631 25702 733 1 2 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.707 0.637 25702 734 1 2 . 1 1 29 29 TRP H H 29 6.495 6.495 7.383 -0.888 25702 735 1 2 . 1 1 30 30 CYS N N 30 122.729 122.729 120.506 2.223 25702 736 1 2 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.388 0.103 25702 737 1 2 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.527 -0.025 25702 738 1 2 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.774 -2.126 25702 739 1 2 . 1 1 30 30 CYS H H 30 6.484 6.484 7.271 -0.787 25702 740 1 2 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.086 -0.126 25702 741 1 2 . 1 1 33 33 CYS C C 33 176.605 176.605 176.071 0.534 25702 742 1 2 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.023 2.540 25702 743 1 2 . 1 1 33 33 CYS CB C 33 28.227 28.227 26.839 1.388 25702 744 1 2 . 1 1 34 34 LYS N N 34 120.638 120.638 120.659 -0.021 25702 745 1 2 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.920 0.002 25702 746 1 2 . 1 1 34 34 LYS C C 34 178.623 178.623 177.287 1.336 25702 747 1 2 . 1 1 34 34 LYS CA C 34 59.122 59.122 57.764 1.358 25702 748 1 2 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.638 0.549 25702 749 1 2 . 1 1 34 34 LYS H H 34 7.828 7.828 7.348 0.480 25702 750 1 2 . 1 1 35 35 MET N N 35 115.754 115.754 117.520 -1.766 25702 751 1 2 . 1 1 35 35 MET HA H 35 4.230 4.230 4.281 -0.051 25702 752 1 2 . 1 1 35 35 MET C C 35 177.927 177.927 177.305 0.622 25702 753 1 2 . 1 1 35 35 MET CA C 35 56.931 56.931 57.845 -0.914 25702 754 1 2 . 1 1 35 35 MET CB C 35 32.038 32.038 33.159 -1.121 25702 755 1 2 . 1 1 35 35 MET H H 35 7.612 7.612 7.632 -0.020 25702 756 1 2 . 1 1 36 36 ILE N N 36 114.905 114.905 119.645 -4.740 25702 757 1 2 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.820 0.432 25702 758 1 2 . 1 1 36 36 ILE C C 36 176.681 176.681 177.294 -0.613 25702 759 1 2 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.022 -1.879 25702 760 1 2 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.038 1.847 25702 761 1 2 . 1 1 36 36 ILE H H 36 7.399 7.399 7.519 -0.120 25702 762 1 2 . 1 1 37 37 ALA N N 37 125.154 125.154 123.771 1.383 25702 763 1 2 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.887 0.192 25702 764 1 2 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.970 0.101 25702 765 1 2 . 1 1 37 37 ALA CB C 37 15.458 15.458 15.951 -0.493 25702 766 1 2 . 1 1 37 37 ALA H H 37 7.587 7.587 7.480 0.107 25702 767 1 2 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.237 0.002 25702 768 1 2 . 1 1 38 38 PRO C C 38 179.456 179.456 177.997 1.459 25702 769 1 2 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.881 0.306 25702 770 1 2 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.697 -0.934 25702 771 1 2 . 1 1 39 39 MET N N 39 117.231 117.231 118.471 -1.240 25702 772 1 2 . 1 1 39 39 MET HA H 39 3.854 3.854 4.016 -0.162 25702 773 1 2 . 1 1 39 39 MET C C 39 177.388 177.388 177.473 -0.085 25702 774 1 2 . 1 1 39 39 MET CA C 39 57.916 57.916 59.169 -1.253 25702 775 1 2 . 1 1 39 39 MET CB C 39 32.238 32.238 32.419 -0.180 25702 776 1 2 . 1 1 39 39 MET H H 39 7.051 7.051 7.639 -0.588 25702 777 1 2 . 1 1 40 40 ILE N N 40 117.419 117.419 118.753 -1.334 25702 778 1 2 . 1 1 40 40 ILE HA H 40 3.675 3.675 2.081 1.594 25702 779 1 2 . 1 1 40 40 ILE C C 40 177.699 177.699 177.080 0.619 25702 780 1 2 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.325 -0.656 25702 781 1 2 . 1 1 40 40 ILE CB C 40 35.771 35.771 37.736 -1.965 25702 782 1 2 . 1 1 40 40 ILE H H 40 7.825 7.825 7.216 0.609 25702 783 1 2 . 1 1 41 41 GLU N N 41 119.014 119.014 119.329 -0.315 25702 784 1 2 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.819 -0.233 25702 785 1 2 . 1 1 41 41 GLU C C 41 180.065 180.065 178.536 1.529 25702 786 1 2 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.178 0.229 25702 787 1 2 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.365 -0.891 25702 788 1 2 . 1 1 41 41 GLU H H 41 7.475 7.475 7.448 0.027 25702 789 1 2 . 1 1 42 42 LYS N N 42 120.988 120.988 119.647 1.341 25702 790 1 2 . 1 1 42 42 LYS HA H 42 3.917 3.917 4.037 -0.120 25702 791 1 2 . 1 1 42 42 LYS C C 42 179.895 179.895 178.884 1.011 25702 792 1 2 . 1 1 42 42 LYS CA C 42 59.034 59.034 57.949 1.085 25702 793 1 2 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.773 -0.928 25702 794 1 2 . 1 1 42 42 LYS H H 42 7.402 7.402 7.486 -0.084 25702 795 1 2 . 1 1 43 43 PHE N N 43 118.946 118.946 119.132 -0.186 25702 796 1 2 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.917 -0.753 25702 797 1 2 . 1 1 43 43 PHE C C 43 177.806 177.806 177.565 0.241 25702 798 1 2 . 1 1 43 43 PHE CA C 43 60.022 60.022 58.836 1.186 25702 799 1 2 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.809 -0.389 25702 800 1 2 . 1 1 43 43 PHE H H 43 8.270 8.270 7.616 0.654 25702 801 1 2 . 1 1 44 44 SER N N 44 116.035 116.035 112.245 3.790 25702 802 1 2 . 1 1 44 44 SER HA H 44 2.873 2.873 4.381 -1.508 25702 803 1 2 . 1 1 44 44 SER C C 44 175.522 175.522 175.713 -0.191 25702 804 1 2 . 1 1 44 44 SER CA C 44 60.173 60.173 60.120 0.053 25702 805 1 2 . 1 1 44 44 SER CB C 44 61.911 61.911 63.082 -1.171 25702 806 1 2 . 1 1 44 44 SER H H 44 7.763 7.763 7.681 0.082 25702 807 1 2 . 1 1 45 45 GLU N N 45 120.563 120.563 120.927 -0.364 25702 808 1 2 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.991 0.068 25702 809 1 2 . 1 1 45 45 GLU C C 45 177.798 177.798 177.782 0.016 25702 810 1 2 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.928 -1.625 25702 811 1 2 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.680 -0.043 25702 812 1 2 . 1 1 45 45 GLU H H 45 6.888 6.888 7.492 -0.604 25702 813 1 2 . 1 1 46 46 GLN N N 46 118.400 118.400 116.469 1.931 25702 814 1 2 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.194 -0.267 25702 815 1 2 . 1 1 46 46 GLN C C 46 175.422 175.422 176.527 -1.105 25702 816 1 2 . 1 1 46 46 GLN CA C 46 57.033 57.033 56.931 0.102 25702 817 1 2 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.273 -0.582 25702 818 1 2 . 1 1 46 46 GLN H H 46 7.451 7.451 7.482 -0.031 25702 819 1 2 . 1 1 47 47 TYR N N 47 115.979 115.979 115.738 0.241 25702 820 1 2 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.105 -0.122 25702 821 1 2 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.992 2.092 25702 822 1 2 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.186 -0.112 25702 823 1 2 . 1 1 47 47 TYR H H 47 7.433 7.433 7.601 -0.168 25702 824 1 2 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.612 0.099 25702 825 1 2 . 1 1 48 48 PRO C C 48 177.453 177.453 177.346 0.107 25702 826 1 2 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.733 0.562 25702 827 1 2 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.990 -0.120 25702 828 1 2 . 1 1 49 49 GLN N N 49 119.035 119.035 118.495 0.540 25702 829 1 2 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.225 0.135 25702 830 1 2 . 1 1 49 49 GLN C C 49 174.990 174.990 175.342 -0.352 25702 831 1 2 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.029 -0.569 25702 832 1 2 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.811 -1.032 25702 833 1 2 . 1 1 49 49 GLN H H 49 9.617 9.617 8.380 1.237 25702 834 1 2 . 1 1 50 50 ALA N N 50 127.008 127.008 121.002 6.006 25702 835 1 2 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.569 0.478 25702 836 1 2 . 1 1 50 50 ALA C C 50 175.173 175.173 176.518 -1.345 25702 837 1 2 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.917 -0.868 25702 838 1 2 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.433 0.734 25702 839 1 2 . 1 1 50 50 ALA H H 50 8.170 8.170 7.357 0.813 25702 840 1 2 . 1 1 51 51 ASP N N 51 120.039 120.039 120.569 -0.530 25702 841 1 2 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.339 0.766 25702 842 1 2 . 1 1 51 51 ASP C C 51 174.707 174.707 174.686 0.021 25702 843 1 2 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.857 -0.853 25702 844 1 2 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.300 0.973 25702 845 1 2 . 1 1 51 51 ASP H H 51 8.411 8.411 8.457 -0.046 25702 846 1 2 . 1 1 52 52 PHE N N 52 120.670 120.670 119.064 1.606 25702 847 1 2 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.158 0.021 25702 848 1 2 . 1 1 52 52 PHE C C 52 174.633 174.633 173.906 0.727 25702 849 1 2 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.229 1.483 25702 850 1 2 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.660 2.213 25702 851 1 2 . 1 1 52 52 PHE H H 52 8.943 8.943 6.984 1.959 25702 852 1 2 . 1 1 53 53 TYR N N 53 120.949 120.949 122.375 -1.426 25702 853 1 2 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.513 -0.036 25702 854 1 2 . 1 1 53 53 TYR C C 53 174.507 174.507 175.024 -0.517 25702 855 1 2 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.459 -0.746 25702 856 1 2 . 1 1 53 53 TYR CB C 53 45.842 45.842 43.102 2.740 25702 857 1 2 . 1 1 53 53 TYR H H 53 9.336 9.336 9.258 0.078 25702 858 1 2 . 1 1 54 54 LYS N N 54 115.771 115.771 119.394 -3.623 25702 859 1 2 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.349 0.150 25702 860 1 2 . 1 1 54 54 LYS C C 54 173.200 173.200 173.969 -0.769 25702 861 1 2 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.164 -1.669 25702 862 1 2 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.728 -1.772 25702 863 1 2 . 1 1 54 54 LYS H H 54 8.451 8.451 8.888 -0.437 25702 864 1 2 . 1 1 55 55 LEU N N 55 123.037 123.037 120.680 2.357 25702 865 1 2 . 1 1 55 55 LEU HA H 55 4.471 4.471 5.325 -0.854 25702 866 1 2 . 1 1 55 55 LEU C C 55 172.053 172.053 173.153 -1.100 25702 867 1 2 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.511 1.875 25702 868 1 2 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.603 -0.790 25702 869 1 2 . 1 1 55 55 LEU H H 55 8.783 8.783 8.565 0.218 25702 870 1 2 . 1 1 56 56 ASP N N 56 126.250 126.250 123.070 3.180 25702 871 1 2 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.033 -0.876 25702 872 1 2 . 1 1 56 56 ASP C C 56 178.219 178.219 177.123 1.096 25702 873 1 2 . 1 1 56 56 ASP CA C 56 52.242 52.242 51.715 0.527 25702 874 1 2 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.923 -1.175 25702 875 1 2 . 1 1 56 56 ASP H H 56 8.580 8.580 8.090 0.490 25702 876 1 2 . 1 1 57 57 VAL N N 57 123.015 123.015 127.160 -4.145 25702 877 1 2 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.888 -0.472 25702 878 1 2 . 1 1 57 57 VAL C C 57 175.672 175.672 177.217 -1.545 25702 879 1 2 . 1 1 57 57 VAL CA C 57 64.696 64.696 65.603 -0.908 25702 880 1 2 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.898 -0.895 25702 881 1 2 . 1 1 57 57 VAL H H 57 8.767 8.767 8.832 -0.065 25702 882 1 2 . 1 1 58 58 ASP N N 58 118.536 118.536 117.530 1.006 25702 883 1 2 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.596 0.099 25702 884 1 2 . 1 1 58 58 ASP C C 58 177.541 177.541 176.945 0.596 25702 885 1 2 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.753 -0.594 25702 886 1 2 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.258 -0.788 25702 887 1 2 . 1 1 58 58 ASP H H 58 8.653 8.653 8.213 0.440 25702 888 1 2 . 1 1 59 59 GLU N N 59 119.610 119.610 118.136 1.474 25702 889 1 2 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.359 -0.006 25702 890 1 2 . 1 1 59 59 GLU C C 59 177.106 177.106 177.130 -0.024 25702 891 1 2 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.657 -0.288 25702 892 1 2 . 1 1 59 59 GLU CB C 59 31.700 31.700 31.202 0.498 25702 893 1 2 . 1 1 59 59 GLU H H 59 7.596 7.596 7.685 -0.089 25702 894 1 2 . 1 1 60 60 LEU N N 60 121.513 121.513 121.390 0.123 25702 895 1 2 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.740 0.172 25702 896 1 2 . 1 1 60 60 LEU C C 60 177.050 177.050 176.747 0.303 25702 897 1 2 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.989 -0.625 25702 898 1 2 . 1 1 60 60 LEU CB C 60 41.622 41.622 40.008 1.614 25702 899 1 2 . 1 1 60 60 LEU H H 60 7.689 7.689 8.416 -0.727 25702 900 1 2 . 1 1 61 61 GLY N N 61 111.170 111.170 110.068 1.102 25702 901 1 2 . 1 1 61 61 GLY C C 61 176.313 176.313 175.644 0.669 25702 902 1 2 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.309 0.915 25702 903 1 2 . 1 1 61 61 GLY H H 61 8.218 8.218 8.487 -0.269 25702 904 1 2 . 1 1 62 62 ASP N N 62 119.711 119.711 120.412 -0.701 25702 905 1 2 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.400 -0.082 25702 906 1 2 . 1 1 62 62 ASP C C 62 178.935 178.935 178.057 0.878 25702 907 1 2 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.159 0.520 25702 908 1 2 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.408 -1.145 25702 909 1 2 . 1 1 62 62 ASP H H 62 9.141 9.141 8.514 0.627 25702 910 1 2 . 1 1 63 63 VAL N N 63 120.511 120.511 119.730 0.781 25702 911 1 2 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.569 -0.246 25702 912 1 2 . 1 1 63 63 VAL C C 63 179.266 179.266 177.582 1.684 25702 913 1 2 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.986 -0.592 25702 914 1 2 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.792 -0.500 25702 915 1 2 . 1 1 63 63 VAL H H 63 7.275 7.275 7.711 -0.436 25702 916 1 2 . 1 1 64 64 ALA N N 64 122.711 122.711 120.645 2.066 25702 917 1 2 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.942 -0.152 25702 918 1 2 . 1 1 64 64 ALA C C 64 178.540 178.540 179.741 -1.201 25702 919 1 2 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.329 0.556 25702 920 1 2 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.322 -0.505 25702 921 1 2 . 1 1 64 64 ALA H H 64 7.264 7.264 7.736 -0.472 25702 922 1 2 . 1 1 65 65 GLN N N 65 117.988 117.988 116.756 1.232 25702 923 1 2 . 1 1 65 65 GLN HA H 65 4.057 4.057 3.999 0.058 25702 924 1 2 . 1 1 65 65 GLN C C 65 180.544 180.544 178.471 2.073 25702 925 1 2 . 1 1 65 65 GLN CA C 65 59.009 59.009 58.175 0.834 25702 926 1 2 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.794 -0.493 25702 927 1 2 . 1 1 65 65 GLN H H 65 8.344 8.344 7.799 0.545 25702 928 1 2 . 1 1 66 66 LYS N N 66 120.050 120.050 118.384 1.666 25702 929 1 2 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.031 0.023 25702 930 1 2 . 1 1 66 66 LYS C C 66 176.954 176.954 177.195 -0.241 25702 931 1 2 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.238 0.579 25702 932 1 2 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.038 0.140 25702 933 1 2 . 1 1 66 66 LYS H H 66 7.971 7.971 7.835 0.136 25702 934 1 2 . 1 1 67 67 ASN N N 67 114.553 114.553 114.490 0.063 25702 935 1 2 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.502 0.274 25702 936 1 2 . 1 1 67 67 ASN C C 67 171.614 171.614 174.483 -2.869 25702 937 1 2 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.797 1.283 25702 938 1 2 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.481 0.628 25702 939 1 2 . 1 1 67 67 ASN H H 67 7.064 7.064 7.326 -0.262 25702 940 1 2 . 1 1 68 68 GLU N N 68 114.491 114.491 116.046 -1.555 25702 941 1 2 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.964 -0.223 25702 942 1 2 . 1 1 68 68 GLU C C 68 175.660 175.660 174.288 1.372 25702 943 1 2 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.231 -0.225 25702 944 1 2 . 1 1 68 68 GLU CB C 68 26.972 26.972 29.168 -2.196 25702 945 1 2 . 1 1 68 68 GLU H H 68 7.755 7.755 7.816 -0.061 25702 946 1 2 . 1 1 69 69 VAL N N 69 120.375 120.375 119.374 1.001 25702 947 1 2 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.351 -0.447 25702 948 1 2 . 1 1 69 69 VAL C C 69 175.415 175.415 174.177 1.238 25702 949 1 2 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.647 1.224 25702 950 1 2 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.993 -1.079 25702 951 1 2 . 1 1 69 69 VAL H H 69 7.787 7.787 8.227 -0.440 25702 952 1 2 . 1 1 70 70 SER N N 70 121.558 121.558 122.907 -1.349 25702 953 1 2 . 1 1 70 70 SER HA H 70 4.488 4.488 4.644 -0.156 25702 954 1 2 . 1 1 70 70 SER C C 70 172.616 172.616 173.786 -1.170 25702 955 1 2 . 1 1 70 70 SER CA C 70 57.728 57.728 57.650 0.078 25702 956 1 2 . 1 1 70 70 SER CB C 70 64.713 64.713 64.166 0.547 25702 957 1 2 . 1 1 70 70 SER H H 70 8.565 8.565 8.651 -0.086 25702 958 1 2 . 1 1 71 71 ALA N N 71 125.848 125.848 124.079 1.769 25702 959 1 2 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.719 -0.140 25702 960 1 2 . 1 1 71 71 ALA C C 71 175.531 175.531 175.886 -0.355 25702 961 1 2 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.515 -0.023 25702 962 1 2 . 1 1 71 71 ALA CB C 71 21.362 21.362 21.092 0.270 25702 963 1 2 . 1 1 71 71 ALA H H 71 7.861 7.861 7.589 0.272 25702 964 1 2 . 1 1 72 72 MET N N 72 118.991 118.991 121.263 -2.272 25702 965 1 2 . 1 1 72 72 MET HA H 72 4.879 4.879 4.933 -0.054 25702 966 1 2 . 1 1 72 72 MET CA C 72 51.907 51.907 52.157 -0.251 25702 967 1 2 . 1 1 72 72 MET CB C 72 35.595 35.595 34.388 1.207 25702 968 1 2 . 1 1 72 72 MET H H 72 8.553 8.553 8.575 -0.022 25702 969 1 2 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.969 0.037 25702 970 1 2 . 1 1 73 73 PRO C C 73 176.015 176.015 176.121 -0.106 25702 971 1 2 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.009 1.020 25702 972 1 2 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.650 0.715 25702 973 1 2 . 1 1 74 74 THR N N 74 114.577 114.577 116.224 -1.647 25702 974 1 2 . 1 1 74 74 THR HA H 74 5.013 5.013 4.964 0.049 25702 975 1 2 . 1 1 74 74 THR C C 74 171.538 171.538 173.217 -1.679 25702 976 1 2 . 1 1 74 74 THR CA C 74 63.556 63.556 62.203 1.353 25702 977 1 2 . 1 1 74 74 THR CB C 74 73.238 73.238 72.012 1.226 25702 978 1 2 . 1 1 74 74 THR H H 74 7.772 7.772 9.143 -1.371 25702 979 1 2 . 1 1 75 75 LEU N N 75 131.086 131.086 127.442 3.644 25702 980 1 2 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.258 0.228 25702 981 1 2 . 1 1 75 75 LEU C C 75 174.827 174.827 175.376 -0.549 25702 982 1 2 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.398 -1.076 25702 983 1 2 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.542 0.607 25702 984 1 2 . 1 1 75 75 LEU H H 75 9.517 9.517 9.361 0.156 25702 985 1 2 . 1 1 76 76 LEU N N 76 123.573 123.573 125.536 -1.963 25702 986 1 2 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.821 0.082 25702 987 1 2 . 1 1 76 76 LEU C C 76 174.229 174.229 175.138 -0.909 25702 988 1 2 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.937 -0.450 25702 989 1 2 . 1 1 76 76 LEU CB C 76 46.070 46.070 44.907 1.163 25702 990 1 2 . 1 1 76 76 LEU H H 76 9.214 9.214 9.227 -0.013 25702 991 1 2 . 1 1 77 77 LEU N N 77 123.032 123.032 125.389 -2.357 25702 992 1 2 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.571 -0.323 25702 993 1 2 . 1 1 77 77 LEU C C 77 174.961 174.961 175.923 -0.962 25702 994 1 2 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.561 1.168 25702 995 1 2 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.903 -0.212 25702 996 1 2 . 1 1 77 77 LEU H H 77 8.189 8.189 9.169 -0.980 25702 997 1 2 . 1 1 78 78 PHE N N 78 121.929 121.929 122.558 -0.629 25702 998 1 2 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.814 0.583 25702 999 1 2 . 1 1 78 78 PHE C C 78 174.427 174.427 174.157 0.270 25702 1000 1 2 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.931 -0.549 25702 1001 1 2 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.178 0.140 25702 1002 1 2 . 1 1 78 78 PHE H H 78 9.748 9.748 9.071 0.677 25702 1003 1 2 . 1 1 79 79 LYS N N 79 117.221 117.221 120.305 -3.084 25702 1004 1 2 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.268 -0.455 25702 1005 1 2 . 1 1 79 79 LYS C C 79 177.709 177.709 176.249 1.460 25702 1006 1 2 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.398 2.024 25702 1007 1 2 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.579 0.691 25702 1008 1 2 . 1 1 79 79 LYS H H 79 8.741 8.741 9.303 -0.562 25702 1009 1 2 . 1 1 80 80 ASN N N 80 125.563 125.563 124.786 0.777 25702 1010 1 2 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.373 -0.068 25702 1011 1 2 . 1 1 80 80 ASN C C 80 175.395 175.395 175.578 -0.183 25702 1012 1 2 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.778 0.691 25702 1013 1 2 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.082 1.589 25702 1014 1 2 . 1 1 80 80 ASN H H 80 8.890 8.890 9.026 -0.136 25702 1015 1 2 . 1 1 81 81 GLY N N 81 102.976 102.976 103.203 -0.227 25702 1016 1 2 . 1 1 81 81 GLY C C 81 173.223 173.223 174.062 -0.839 25702 1017 1 2 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.398 0.247 25702 1018 1 2 . 1 1 81 81 GLY H H 81 8.640 8.640 8.829 -0.189 25702 1019 1 2 . 1 1 82 82 LYS N N 82 119.280 119.280 119.837 -0.557 25702 1020 1 2 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.701 0.022 25702 1021 1 2 . 1 1 82 82 LYS C C 82 174.897 174.897 175.286 -0.389 25702 1022 1 2 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.185 0.170 25702 1023 1 2 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.627 -0.300 25702 1024 1 2 . 1 1 82 82 LYS H H 82 7.583 7.583 7.801 -0.218 25702 1025 1 2 . 1 1 83 83 GLU N N 83 125.460 125.460 120.231 5.229 25702 1026 1 2 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.567 0.292 25702 1027 1 2 . 1 1 83 83 GLU C C 83 177.249 177.249 177.145 0.104 25702 1028 1 2 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.482 -0.523 25702 1029 1 2 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.201 0.311 25702 1030 1 2 . 1 1 83 83 GLU H H 83 8.818 8.818 8.680 0.138 25702 1031 1 2 . 1 1 84 84 VAL N N 84 121.989 121.989 113.707 8.282 25702 1032 1 2 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.407 0.015 25702 1033 1 2 . 1 1 84 84 VAL C C 84 175.625 175.625 175.069 0.556 25702 1034 1 2 . 1 1 84 84 VAL CA C 84 61.083 61.083 62.038 -0.955 25702 1035 1 2 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.549 -1.458 25702 1036 1 2 . 1 1 84 84 VAL H H 84 9.281 9.281 8.041 1.240 25702 1037 1 2 . 1 1 85 85 ALA N N 85 121.284 121.284 122.697 -1.413 25702 1038 1 2 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.563 -0.164 25702 1039 1 2 . 1 1 85 85 ALA C C 85 173.805 173.805 174.644 -0.839 25702 1040 1 2 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.362 0.294 25702 1041 1 2 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.102 0.885 25702 1042 1 2 . 1 1 85 85 ALA H H 85 7.564 7.564 7.425 0.139 25702 1043 1 2 . 1 1 86 86 LYS N N 86 119.558 119.558 120.564 -1.006 25702 1044 1 2 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.468 -0.522 25702 1045 1 2 . 1 1 86 86 LYS C C 86 174.999 174.999 174.822 0.177 25702 1046 1 2 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.074 0.265 25702 1047 1 2 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.569 0.036 25702 1048 1 2 . 1 1 86 86 LYS H H 86 8.000 8.000 8.175 -0.175 25702 1049 1 2 . 1 1 87 87 VAL N N 87 126.118 126.118 124.206 1.912 25702 1050 1 2 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.433 0.270 25702 1051 1 2 . 1 1 87 87 VAL C C 87 174.516 174.516 175.108 -0.592 25702 1052 1 2 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.686 -0.307 25702 1053 1 2 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.341 -1.154 25702 1054 1 2 . 1 1 87 87 VAL H H 87 9.198 9.198 9.168 0.030 25702 1055 1 2 . 1 1 88 88 VAL N N 88 128.549 128.549 122.762 5.787 25702 1056 1 2 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.676 -0.222 25702 1057 1 2 . 1 1 88 88 VAL C C 88 176.142 176.142 175.536 0.606 25702 1058 1 2 . 1 1 88 88 VAL CA C 88 61.982 61.982 60.752 1.230 25702 1059 1 2 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.245 2.396 25702 1060 1 2 . 1 1 88 88 VAL H H 88 9.031 9.031 8.484 0.547 25702 1061 1 2 . 1 1 89 89 GLY N N 89 114.516 114.516 108.948 5.568 25702 1062 1 2 . 1 1 89 89 GLY C C 89 173.063 173.063 173.337 -0.274 25702 1063 1 2 . 1 1 89 89 GLY CA C 89 43.506 43.506 44.981 -1.475 25702 1064 1 2 . 1 1 89 89 GLY H H 89 8.379 8.379 7.507 0.872 25702 1065 1 2 . 1 1 90 90 ALA N N 90 122.292 122.292 124.241 -1.949 25702 1066 1 2 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.221 -0.026 25702 1067 1 2 . 1 1 90 90 ALA C C 90 174.897 174.897 176.860 -1.963 25702 1068 1 2 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.775 -2.336 25702 1069 1 2 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.939 -1.058 25702 1070 1 2 . 1 1 90 90 ALA H H 90 8.592 8.592 8.522 0.070 25702 1071 1 2 . 1 1 91 91 ASN N N 91 120.220 120.220 125.338 -5.118 25702 1072 1 2 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.101 0.010 25702 1073 1 2 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.883 0.129 25702 1074 1 2 . 1 1 91 91 ASN CB C 91 38.978 38.978 40.325 -1.347 25702 1075 1 2 . 1 1 91 91 ASN H H 91 7.386 7.386 8.684 -1.298 25702 1076 1 2 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.177 -0.149 25702 1077 1 2 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.566 -4.469 25702 1078 1 2 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.203 -0.108 25702 1079 1 2 . 1 1 93 93 ALA C C 93 180.205 180.205 179.357 0.848 25702 1080 1 2 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.540 0.626 25702 1081 1 2 . 1 1 93 93 ALA CB C 93 17.981 17.981 17.762 0.219 25702 1082 1 2 . 1 1 94 94 ALA N N 94 120.499 120.499 122.620 -2.121 25702 1083 1 2 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.190 -0.129 25702 1084 1 2 . 1 1 94 94 ALA C C 94 180.917 180.917 179.954 0.963 25702 1085 1 2 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.922 -0.662 25702 1086 1 2 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.424 0.374 25702 1087 1 2 . 1 1 94 94 ALA H H 94 7.223 7.223 8.369 -1.146 25702 1088 1 2 . 1 1 95 95 ILE N N 95 119.397 119.397 117.289 2.108 25702 1089 1 2 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.775 -0.423 25702 1090 1 2 . 1 1 95 95 ILE C C 95 176.217 176.217 177.510 -1.293 25702 1091 1 2 . 1 1 95 95 ILE CA C 95 65.953 65.953 62.220 3.733 25702 1092 1 2 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.768 1.612 25702 1093 1 2 . 1 1 95 95 ILE H H 95 7.772 7.772 8.723 -0.951 25702 1094 1 2 . 1 1 96 96 LYS N N 96 118.919 118.919 121.520 -2.601 25702 1095 1 2 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.670 -0.653 25702 1096 1 2 . 1 1 96 96 LYS C C 96 177.824 177.824 179.506 -1.682 25702 1097 1 2 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.400 1.226 25702 1098 1 2 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.115 0.049 25702 1099 1 2 . 1 1 96 96 LYS H H 96 8.112 8.112 7.509 0.603 25702 1100 1 2 . 1 1 97 97 GLN N N 97 115.480 115.480 117.666 -2.186 25702 1101 1 2 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.034 -0.182 25702 1102 1 2 . 1 1 97 97 GLN C C 97 178.014 178.014 178.223 -0.209 25702 1103 1 2 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.028 0.555 25702 1104 1 2 . 1 1 97 97 GLN CB C 97 28.344 28.344 27.933 0.411 25702 1105 1 2 . 1 1 97 97 GLN H H 97 7.686 7.686 8.294 -0.608 25702 1106 1 2 . 1 1 98 98 ALA N N 98 120.911 120.911 123.553 -2.642 25702 1107 1 2 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.982 -0.052 25702 1108 1 2 . 1 1 98 98 ALA C C 98 179.544 179.544 179.563 -0.019 25702 1109 1 2 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.134 -0.385 25702 1110 1 2 . 1 1 98 98 ALA CB C 98 17.915 17.915 17.975 -0.060 25702 1111 1 2 . 1 1 98 98 ALA H H 98 7.446 7.446 7.414 0.032 25702 1112 1 2 . 1 1 99 99 ILE N N 99 117.780 117.780 118.260 -0.480 25702 1113 1 2 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.594 -0.547 25702 1114 1 2 . 1 1 99 99 ILE C C 99 177.087 177.087 178.289 -1.202 25702 1115 1 2 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.771 2.688 25702 1116 1 2 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.960 2.172 25702 1117 1 2 . 1 1 99 99 ILE H H 99 7.735 7.735 8.114 -0.379 25702 1118 1 2 . 1 1 100 100 ALA N N 100 119.516 119.516 121.345 -1.829 25702 1119 1 2 . 1 1 100 100 ALA C C 100 180.431 180.431 178.942 1.489 25702 1120 1 2 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.279 0.966 25702 1121 1 2 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.122 0.171 25702 1122 1 2 . 1 1 100 100 ALA H H 100 8.214 8.214 7.406 0.808 25702 1123 1 2 . 1 1 101 101 ALA N N 101 115.674 115.674 120.391 -4.717 25702 1124 1 2 . 1 1 101 101 ALA HA H 101 4.070 4.070 3.966 0.104 25702 1125 1 2 . 1 1 101 101 ALA C C 101 178.213 178.213 179.256 -1.043 25702 1126 1 2 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.864 0.020 25702 1127 1 2 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.253 -0.210 25702 1128 1 2 . 1 1 101 101 ALA H H 101 7.619 7.619 7.727 -0.108 25702 1129 1 2 . 1 1 102 102 ASN N N 102 115.986 115.986 114.134 1.852 25702 1130 1 2 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.595 0.189 25702 1131 1 2 . 1 1 102 102 ASN C C 102 172.740 172.740 175.536 -2.796 25702 1132 1 2 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.105 0.195 25702 1133 1 2 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.722 3.167 25702 1134 1 2 . 1 1 102 102 ASN H H 102 7.116 7.116 8.444 -1.328 25702 1135 1 3 . 1 1 2 2 VAL N N 2 125.020 125.020 125.572 -0.552 25702 1136 1 3 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.035 0.043 25702 1137 1 3 . 1 1 2 2 VAL C C 2 175.261 175.261 175.875 -0.614 25702 1138 1 3 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.200 -0.151 25702 1139 1 3 . 1 1 2 2 VAL CB C 2 32.667 32.667 32.434 0.234 25702 1140 1 3 . 1 1 2 2 VAL H H 2 8.590 8.590 8.858 -0.268 25702 1141 1 3 . 1 1 3 3 THR N N 3 125.759 125.759 122.110 3.649 25702 1142 1 3 . 1 1 3 3 THR HA H 3 4.138 4.138 4.397 -0.259 25702 1143 1 3 . 1 1 3 3 THR C C 3 173.129 173.129 173.554 -0.425 25702 1144 1 3 . 1 1 3 3 THR CA C 3 62.804 62.804 62.396 0.408 25702 1145 1 3 . 1 1 3 3 THR CB C 3 69.547 69.547 69.773 -0.226 25702 1146 1 3 . 1 1 3 3 THR H H 3 7.778 7.778 8.398 -0.620 25702 1147 1 3 . 1 1 4 4 GLN N N 4 127.746 127.746 123.989 3.757 25702 1148 1 3 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.775 -0.036 25702 1149 1 3 . 1 1 4 4 GLN C C 4 176.754 176.754 175.817 0.937 25702 1150 1 3 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.618 -1.183 25702 1151 1 3 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.570 -0.040 25702 1152 1 3 . 1 1 4 4 GLN H H 4 8.975 8.975 8.549 0.426 25702 1153 1 3 . 1 1 5 5 PHE N N 5 126.242 126.242 126.538 -0.296 25702 1154 1 3 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.933 -0.116 25702 1155 1 3 . 1 1 5 5 PHE C C 5 176.102 176.102 176.521 -0.419 25702 1156 1 3 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.007 2.522 25702 1157 1 3 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.305 0.215 25702 1158 1 3 . 1 1 5 5 PHE H H 5 8.422 8.422 9.044 -0.622 25702 1159 1 3 . 1 1 6 6 LYS N N 6 119.482 119.482 116.653 2.829 25702 1160 1 3 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.507 0.114 25702 1161 1 3 . 1 1 6 6 LYS C C 6 176.994 176.994 175.487 1.507 25702 1162 1 3 . 1 1 6 6 LYS CA C 6 56.015 56.015 55.941 0.075 25702 1163 1 3 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.915 -0.783 25702 1164 1 3 . 1 1 6 6 LYS H H 6 9.822 9.822 9.081 0.741 25702 1165 1 3 . 1 1 7 7 THR N N 7 107.464 107.464 109.043 -1.579 25702 1166 1 3 . 1 1 7 7 THR HA H 7 4.597 4.597 4.512 0.085 25702 1167 1 3 . 1 1 7 7 THR C C 7 173.921 173.921 174.191 -0.270 25702 1168 1 3 . 1 1 7 7 THR CA C 7 59.155 59.155 60.233 -1.078 25702 1169 1 3 . 1 1 7 7 THR CB C 7 72.660 72.660 71.374 1.286 25702 1170 1 3 . 1 1 7 7 THR H H 7 7.484 7.484 7.299 0.185 25702 1171 1 3 . 1 1 8 8 ALA N N 8 123.987 123.987 123.227 0.760 25702 1172 1 3 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.248 -0.539 25702 1173 1 3 . 1 1 8 8 ALA C C 8 179.409 179.409 179.589 -0.180 25702 1174 1 3 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.640 0.362 25702 1175 1 3 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.304 -0.214 25702 1176 1 3 . 1 1 8 8 ALA H H 8 9.031 9.031 8.635 0.396 25702 1177 1 3 . 1 1 9 9 SER N N 9 112.387 112.387 114.782 -2.395 25702 1178 1 3 . 1 1 9 9 SER HA H 9 4.127 4.127 3.996 0.131 25702 1179 1 3 . 1 1 9 9 SER C C 9 177.070 177.070 176.742 0.328 25702 1180 1 3 . 1 1 9 9 SER CA C 9 61.109 61.109 62.037 -0.928 25702 1181 1 3 . 1 1 9 9 SER CB C 9 62.226 62.226 62.809 -0.583 25702 1182 1 3 . 1 1 9 9 SER H H 9 8.161 8.161 8.452 -0.291 25702 1183 1 3 . 1 1 10 10 GLU N N 10 121.941 121.941 121.921 0.020 25702 1184 1 3 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.743 0.108 25702 1185 1 3 . 1 1 10 10 GLU C C 10 178.776 178.776 177.935 0.841 25702 1186 1 3 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.827 -0.144 25702 1187 1 3 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.207 1.797 25702 1188 1 3 . 1 1 10 10 GLU H H 10 7.522 7.522 7.396 0.126 25702 1189 1 3 . 1 1 11 11 PHE N N 11 120.541 120.541 119.729 0.812 25702 1190 1 3 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.176 -0.330 25702 1191 1 3 . 1 1 11 11 PHE C C 11 174.944 174.944 176.819 -1.875 25702 1192 1 3 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.663 0.044 25702 1193 1 3 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.852 -1.114 25702 1194 1 3 . 1 1 11 11 PHE H H 11 6.624 6.624 7.121 -0.497 25702 1195 1 3 . 1 1 12 12 ASP N N 12 117.847 117.847 118.422 -0.575 25702 1196 1 3 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.230 -0.399 25702 1197 1 3 . 1 1 12 12 ASP C C 12 178.767 178.767 178.934 -0.167 25702 1198 1 3 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.389 -0.171 25702 1199 1 3 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.099 0.200 25702 1200 1 3 . 1 1 12 12 ASP H H 12 7.637 7.637 8.204 -0.567 25702 1201 1 3 . 1 1 13 13 SER N N 13 111.904 111.904 115.631 -3.727 25702 1202 1 3 . 1 1 13 13 SER HA H 13 4.034 4.034 4.156 -0.122 25702 1203 1 3 . 1 1 13 13 SER C C 13 176.341 176.341 176.671 -0.330 25702 1204 1 3 . 1 1 13 13 SER CA C 13 60.857 60.857 61.119 -0.262 25702 1205 1 3 . 1 1 13 13 SER CB C 13 63.144 63.144 63.050 0.094 25702 1206 1 3 . 1 1 13 13 SER H H 13 7.539 7.539 8.001 -0.462 25702 1207 1 3 . 1 1 14 14 ALA N N 14 123.793 123.793 123.183 0.610 25702 1208 1 3 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.108 -0.081 25702 1209 1 3 . 1 1 14 14 ALA C C 14 180.358 180.358 179.317 1.041 25702 1210 1 3 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.209 0.631 25702 1211 1 3 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.439 0.386 25702 1212 1 3 . 1 1 14 14 ALA H H 14 7.647 7.647 7.489 0.158 25702 1213 1 3 . 1 1 15 15 ILE N N 15 106.782 106.782 118.180 -11.398 25702 1214 1 3 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.839 -0.119 25702 1215 1 3 . 1 1 15 15 ILE C C 15 176.012 176.012 177.330 -1.318 25702 1216 1 3 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.507 1.988 25702 1217 1 3 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.777 1.018 25702 1218 1 3 . 1 1 15 15 ILE H H 15 7.146 7.146 7.255 -0.109 25702 1219 1 3 . 1 1 16 16 ALA N N 16 122.248 122.248 120.678 1.570 25702 1220 1 3 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.336 -0.305 25702 1221 1 3 . 1 1 16 16 ALA C C 16 177.072 177.072 176.614 0.458 25702 1222 1 3 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.117 -0.367 25702 1223 1 3 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.166 0.204 25702 1224 1 3 . 1 1 16 16 ALA H H 16 6.627 6.627 7.434 -0.807 25702 1225 1 3 . 1 1 17 17 GLN N N 17 115.254 115.254 118.094 -2.840 25702 1226 1 3 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.497 -0.278 25702 1227 1 3 . 1 1 17 17 GLN CA C 17 55.898 55.898 53.270 2.628 25702 1228 1 3 . 1 1 17 17 GLN CB C 17 33.964 33.964 30.103 3.861 25702 1229 1 3 . 1 1 17 17 GLN H H 17 7.136 7.136 7.662 -0.526 25702 1230 1 3 . 1 1 18 18 ASP N N 18 122.840 122.840 118.224 4.616 25702 1231 1 3 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.499 0.033 25702 1232 1 3 . 1 1 18 18 ASP C C 18 175.348 175.348 175.083 0.265 25702 1233 1 3 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.790 -0.280 25702 1234 1 3 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.157 -0.107 25702 1235 1 3 . 1 1 18 18 ASP H H 18 8.644 8.644 8.704 -0.060 25702 1236 1 3 . 1 1 19 19 LYS N N 19 118.503 118.503 115.027 3.476 25702 1237 1 3 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.548 -0.165 25702 1238 1 3 . 1 1 19 19 LYS C C 19 173.289 173.289 174.948 -1.659 25702 1239 1 3 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.371 0.350 25702 1240 1 3 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.645 -0.430 25702 1241 1 3 . 1 1 19 19 LYS H H 19 7.939 7.939 7.415 0.524 25702 1242 1 3 . 1 1 20 20 LEU N N 20 120.813 120.813 123.135 -2.322 25702 1243 1 3 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.912 -0.203 25702 1244 1 3 . 1 1 20 20 LEU C C 20 174.429 174.429 175.375 -0.946 25702 1245 1 3 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.874 0.913 25702 1246 1 3 . 1 1 20 20 LEU CB C 20 41.561 41.561 42.245 -0.684 25702 1247 1 3 . 1 1 20 20 LEU H H 20 8.625 8.625 8.825 -0.200 25702 1248 1 3 . 1 1 21 21 VAL N N 21 128.813 128.813 127.521 1.292 25702 1249 1 3 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.626 -0.361 25702 1250 1 3 . 1 1 21 21 VAL C C 21 174.618 174.618 173.789 0.829 25702 1251 1 3 . 1 1 21 21 VAL CA C 21 61.583 61.583 59.835 1.748 25702 1252 1 3 . 1 1 21 21 VAL CB C 21 34.577 34.577 34.696 -0.119 25702 1253 1 3 . 1 1 21 21 VAL H H 21 9.251 9.251 8.749 0.501 25702 1254 1 3 . 1 1 22 22 VAL N N 22 130.243 130.243 130.058 0.185 25702 1255 1 3 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.287 -0.024 25702 1256 1 3 . 1 1 22 22 VAL C C 22 174.802 174.802 174.508 0.294 25702 1257 1 3 . 1 1 22 22 VAL CA C 22 61.642 61.642 60.938 0.704 25702 1258 1 3 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.201 1.623 25702 1259 1 3 . 1 1 22 22 VAL H H 22 8.969 8.969 9.264 -0.295 25702 1260 1 3 . 1 1 23 23 VAL N N 23 125.526 125.526 128.892 -3.366 25702 1261 1 3 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.786 -0.134 25702 1262 1 3 . 1 1 23 23 VAL C C 23 174.086 174.086 174.833 -0.747 25702 1263 1 3 . 1 1 23 23 VAL CA C 23 61.783 61.783 61.276 0.507 25702 1264 1 3 . 1 1 23 23 VAL CB C 23 34.424 34.424 32.989 1.435 25702 1265 1 3 . 1 1 23 23 VAL H H 23 9.555 9.555 8.817 0.738 25702 1266 1 3 . 1 1 24 24 ALA N N 24 130.468 130.468 130.749 -0.281 25702 1267 1 3 . 1 1 24 24 ALA HA H 24 5.003 5.003 5.031 -0.028 25702 1268 1 3 . 1 1 24 24 ALA C C 24 175.093 175.093 175.838 -0.745 25702 1269 1 3 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.694 0.415 25702 1270 1 3 . 1 1 24 24 ALA CB C 24 19.543 19.543 20.127 -0.584 25702 1271 1 3 . 1 1 24 24 ALA H H 24 9.004 9.004 9.479 -0.475 25702 1272 1 3 . 1 1 25 25 PHE N N 25 124.289 124.289 125.599 -1.310 25702 1273 1 3 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.792 -0.773 25702 1274 1 3 . 1 1 25 25 PHE C C 25 174.794 174.794 175.133 -0.339 25702 1275 1 3 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.474 2.146 25702 1276 1 3 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.907 -2.142 25702 1277 1 3 . 1 1 25 25 PHE H H 25 9.455 9.455 9.376 0.079 25702 1278 1 3 . 1 1 26 26 TYR N N 26 120.967 120.967 119.521 1.446 25702 1279 1 3 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.844 0.507 25702 1280 1 3 . 1 1 26 26 TYR C C 26 171.352 171.352 172.575 -1.223 25702 1281 1 3 . 1 1 26 26 TYR CA C 26 54.831 54.831 56.293 -1.462 25702 1282 1 3 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.046 2.888 25702 1283 1 3 . 1 1 26 26 TYR H H 26 8.908 8.908 8.391 0.517 25702 1284 1 3 . 1 1 27 27 ALA N N 27 119.133 119.133 120.507 -1.374 25702 1285 1 3 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.648 -0.089 25702 1286 1 3 . 1 1 27 27 ALA C C 27 179.092 179.092 177.750 1.342 25702 1287 1 3 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.335 -0.181 25702 1288 1 3 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.300 1.650 25702 1289 1 3 . 1 1 27 27 ALA H H 27 6.962 6.962 8.363 -1.401 25702 1290 1 3 . 1 1 28 28 THR N N 28 116.784 116.784 117.723 -0.939 25702 1291 1 3 . 1 1 28 28 THR HA H 28 3.867 3.867 4.092 -0.225 25702 1292 1 3 . 1 1 28 28 THR C C 28 174.957 174.957 175.468 -0.511 25702 1293 1 3 . 1 1 28 28 THR CA C 28 64.820 64.820 64.495 0.325 25702 1294 1 3 . 1 1 28 28 THR CB C 28 69.197 69.197 68.908 0.289 25702 1295 1 3 . 1 1 28 28 THR H H 28 10.053 10.053 8.808 1.245 25702 1296 1 3 . 1 1 29 29 TRP N N 29 114.763 114.763 118.683 -3.920 25702 1297 1 3 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.637 -0.115 25702 1298 1 3 . 1 1 29 29 TRP C C 29 175.478 175.478 175.612 -0.134 25702 1299 1 3 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.972 -2.467 25702 1300 1 3 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.734 0.610 25702 1301 1 3 . 1 1 29 29 TRP H H 29 6.495 6.495 7.475 -0.980 25702 1302 1 3 . 1 1 30 30 CYS N N 30 122.729 122.729 121.582 1.147 25702 1303 1 3 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.507 -0.016 25702 1304 1 3 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.757 -0.255 25702 1305 1 3 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.660 -2.013 25702 1306 1 3 . 1 1 30 30 CYS H H 30 6.484 6.484 7.145 -0.661 25702 1307 1 3 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.101 -0.141 25702 1308 1 3 . 1 1 33 33 CYS C C 33 176.605 176.605 175.837 0.768 25702 1309 1 3 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.467 2.096 25702 1310 1 3 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.053 1.174 25702 1311 1 3 . 1 1 34 34 LYS N N 34 120.638 120.638 119.719 0.919 25702 1312 1 3 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.921 0.001 25702 1313 1 3 . 1 1 34 34 LYS C C 34 178.623 178.623 177.660 0.963 25702 1314 1 3 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.285 0.837 25702 1315 1 3 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.376 0.811 25702 1316 1 3 . 1 1 34 34 LYS H H 34 7.828 7.828 7.259 0.569 25702 1317 1 3 . 1 1 35 35 MET N N 35 115.754 115.754 118.449 -2.695 25702 1318 1 3 . 1 1 35 35 MET HA H 35 4.230 4.230 4.371 -0.141 25702 1319 1 3 . 1 1 35 35 MET C C 35 177.927 177.927 177.308 0.619 25702 1320 1 3 . 1 1 35 35 MET CA C 35 56.931 56.931 55.592 1.339 25702 1321 1 3 . 1 1 35 35 MET CB C 35 32.038 32.038 33.152 -1.114 25702 1322 1 3 . 1 1 35 35 MET H H 35 7.612 7.612 7.820 -0.208 25702 1323 1 3 . 1 1 36 36 ILE N N 36 114.905 114.905 119.355 -4.450 25702 1324 1 3 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.873 0.379 25702 1325 1 3 . 1 1 36 36 ILE C C 36 176.681 176.681 177.379 -0.698 25702 1326 1 3 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.902 -1.759 25702 1327 1 3 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.058 1.827 25702 1328 1 3 . 1 1 36 36 ILE H H 36 7.399 7.399 7.461 -0.062 25702 1329 1 3 . 1 1 37 37 ALA N N 37 125.154 125.154 123.088 2.066 25702 1330 1 3 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.994 0.085 25702 1331 1 3 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.768 0.303 25702 1332 1 3 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.251 -0.793 25702 1333 1 3 . 1 1 37 37 ALA H H 37 7.587 7.587 7.456 0.131 25702 1334 1 3 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.293 -0.054 25702 1335 1 3 . 1 1 38 38 PRO C C 38 179.456 179.456 178.083 1.373 25702 1336 1 3 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.675 0.512 25702 1337 1 3 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.614 -0.851 25702 1338 1 3 . 1 1 39 39 MET N N 39 117.231 117.231 118.274 -1.043 25702 1339 1 3 . 1 1 39 39 MET HA H 39 3.854 3.854 3.906 -0.052 25702 1340 1 3 . 1 1 39 39 MET C C 39 177.388 177.388 177.257 0.131 25702 1341 1 3 . 1 1 39 39 MET CA C 39 57.916 57.916 58.882 -0.966 25702 1342 1 3 . 1 1 39 39 MET CB C 39 32.238 32.238 32.352 -0.114 25702 1343 1 3 . 1 1 39 39 MET H H 39 7.051 7.051 7.577 -0.526 25702 1344 1 3 . 1 1 40 40 ILE N N 40 117.419 117.419 119.126 -1.707 25702 1345 1 3 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.043 0.632 25702 1346 1 3 . 1 1 40 40 ILE C C 40 177.699 177.699 177.332 0.367 25702 1347 1 3 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.725 -1.056 25702 1348 1 3 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.048 -2.277 25702 1349 1 3 . 1 1 40 40 ILE H H 40 7.825 7.825 7.271 0.554 25702 1350 1 3 . 1 1 41 41 GLU N N 41 119.014 119.014 118.785 0.229 25702 1351 1 3 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.780 -0.194 25702 1352 1 3 . 1 1 41 41 GLU C C 41 180.065 180.065 178.588 1.477 25702 1353 1 3 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.281 0.126 25702 1354 1 3 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.096 -0.622 25702 1355 1 3 . 1 1 41 41 GLU H H 41 7.475 7.475 7.567 -0.092 25702 1356 1 3 . 1 1 42 42 LYS N N 42 120.988 120.988 119.840 1.148 25702 1357 1 3 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.895 0.022 25702 1358 1 3 . 1 1 42 42 LYS C C 42 179.895 179.895 178.806 1.089 25702 1359 1 3 . 1 1 42 42 LYS CA C 42 59.034 59.034 59.224 -0.190 25702 1360 1 3 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.071 -1.226 25702 1361 1 3 . 1 1 42 42 LYS H H 42 7.402 7.402 7.580 -0.178 25702 1362 1 3 . 1 1 43 43 PHE N N 43 118.946 118.946 117.992 0.954 25702 1363 1 3 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.978 -0.814 25702 1364 1 3 . 1 1 43 43 PHE C C 43 177.806 177.806 177.826 -0.020 25702 1365 1 3 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.193 0.829 25702 1366 1 3 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.077 -0.657 25702 1367 1 3 . 1 1 43 43 PHE H H 43 8.270 8.270 7.206 1.064 25702 1368 1 3 . 1 1 44 44 SER N N 44 116.035 116.035 113.327 2.708 25702 1369 1 3 . 1 1 44 44 SER HA H 44 2.873 2.873 4.323 -1.450 25702 1370 1 3 . 1 1 44 44 SER C C 44 175.522 175.522 176.045 -0.523 25702 1371 1 3 . 1 1 44 44 SER CA C 44 60.173 60.173 60.152 0.021 25702 1372 1 3 . 1 1 44 44 SER CB C 44 61.911 61.911 63.152 -1.241 25702 1373 1 3 . 1 1 44 44 SER H H 44 7.763 7.763 7.708 0.055 25702 1374 1 3 . 1 1 45 45 GLU N N 45 120.563 120.563 121.512 -0.949 25702 1375 1 3 . 1 1 45 45 GLU HA H 45 4.059 4.059 4.003 0.056 25702 1376 1 3 . 1 1 45 45 GLU C C 45 177.798 177.798 177.532 0.266 25702 1377 1 3 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.968 -1.665 25702 1378 1 3 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.634 0.003 25702 1379 1 3 . 1 1 45 45 GLU H H 45 6.888 6.888 7.698 -0.810 25702 1380 1 3 . 1 1 46 46 GLN N N 46 118.400 118.400 116.688 1.712 25702 1381 1 3 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.188 -0.261 25702 1382 1 3 . 1 1 46 46 GLN C C 46 175.422 175.422 176.442 -1.020 25702 1383 1 3 . 1 1 46 46 GLN CA C 46 57.033 57.033 56.901 0.132 25702 1384 1 3 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.225 -0.535 25702 1385 1 3 . 1 1 46 46 GLN H H 46 7.451 7.451 7.454 -0.003 25702 1386 1 3 . 1 1 47 47 TYR N N 47 115.979 115.979 115.500 0.479 25702 1387 1 3 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.096 -0.113 25702 1388 1 3 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.935 2.149 25702 1389 1 3 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.207 -0.133 25702 1390 1 3 . 1 1 47 47 TYR H H 47 7.433 7.433 7.425 0.009 25702 1391 1 3 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.623 0.088 25702 1392 1 3 . 1 1 48 48 PRO C C 48 177.453 177.453 177.277 0.176 25702 1393 1 3 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.902 0.392 25702 1394 1 3 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.155 -0.285 25702 1395 1 3 . 1 1 49 49 GLN N N 49 119.035 119.035 116.784 2.251 25702 1396 1 3 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.188 0.172 25702 1397 1 3 . 1 1 49 49 GLN C C 49 174.990 174.990 175.764 -0.774 25702 1398 1 3 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.146 -0.686 25702 1399 1 3 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.635 0.144 25702 1400 1 3 . 1 1 49 49 GLN H H 49 9.617 9.617 8.443 1.174 25702 1401 1 3 . 1 1 50 50 ALA N N 50 127.008 127.008 121.258 5.750 25702 1402 1 3 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.909 0.138 25702 1403 1 3 . 1 1 50 50 ALA C C 50 175.173 175.173 176.645 -1.472 25702 1404 1 3 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.178 -0.130 25702 1405 1 3 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.249 0.917 25702 1406 1 3 . 1 1 50 50 ALA H H 50 8.170 8.170 7.478 0.692 25702 1407 1 3 . 1 1 51 51 ASP N N 51 120.039 120.039 120.966 -0.927 25702 1408 1 3 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.468 0.637 25702 1409 1 3 . 1 1 51 51 ASP C C 51 174.707 174.707 174.717 -0.010 25702 1410 1 3 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.507 -0.503 25702 1411 1 3 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.748 0.524 25702 1412 1 3 . 1 1 51 51 ASP H H 51 8.411 8.411 8.493 -0.082 25702 1413 1 3 . 1 1 52 52 PHE N N 52 120.670 120.670 118.525 2.145 25702 1414 1 3 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.056 0.123 25702 1415 1 3 . 1 1 52 52 PHE C C 52 174.633 174.633 173.841 0.792 25702 1416 1 3 . 1 1 52 52 PHE CA C 52 56.712 56.712 54.818 1.894 25702 1417 1 3 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.773 2.100 25702 1418 1 3 . 1 1 52 52 PHE H H 52 8.943 8.943 7.160 1.783 25702 1419 1 3 . 1 1 53 53 TYR N N 53 120.949 120.949 122.734 -1.785 25702 1420 1 3 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.328 0.149 25702 1421 1 3 . 1 1 53 53 TYR C C 53 174.507 174.507 174.622 -0.115 25702 1422 1 3 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.760 -1.047 25702 1423 1 3 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.375 3.467 25702 1424 1 3 . 1 1 53 53 TYR H H 53 9.336 9.336 8.928 0.408 25702 1425 1 3 . 1 1 54 54 LYS N N 54 115.771 115.771 121.259 -5.488 25702 1426 1 3 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.590 -0.091 25702 1427 1 3 . 1 1 54 54 LYS C C 54 173.200 173.200 174.185 -0.985 25702 1428 1 3 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.581 -1.085 25702 1429 1 3 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.404 -1.448 25702 1430 1 3 . 1 1 54 54 LYS H H 54 8.451 8.451 9.154 -0.703 25702 1431 1 3 . 1 1 55 55 LEU N N 55 123.037 123.037 120.582 2.455 25702 1432 1 3 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.467 0.004 25702 1433 1 3 . 1 1 55 55 LEU C C 55 172.053 172.053 172.690 -0.637 25702 1434 1 3 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.087 1.299 25702 1435 1 3 . 1 1 55 55 LEU CB C 55 45.813 45.813 45.594 0.219 25702 1436 1 3 . 1 1 55 55 LEU H H 55 8.783 8.783 8.825 -0.042 25702 1437 1 3 . 1 1 56 56 ASP N N 56 126.250 126.250 122.528 3.722 25702 1438 1 3 . 1 1 56 56 ASP HA H 56 4.157 4.157 4.644 -0.487 25702 1439 1 3 . 1 1 56 56 ASP C C 56 178.219 178.219 176.077 2.142 25702 1440 1 3 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.549 -0.307 25702 1441 1 3 . 1 1 56 56 ASP CB C 56 40.748 40.748 42.345 -1.597 25702 1442 1 3 . 1 1 56 56 ASP H H 56 8.580 8.580 8.159 0.421 25702 1443 1 3 . 1 1 57 57 VAL N N 57 123.015 123.015 123.019 -0.004 25702 1444 1 3 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.003 -0.587 25702 1445 1 3 . 1 1 57 57 VAL C C 57 175.672 175.672 176.136 -0.464 25702 1446 1 3 . 1 1 57 57 VAL CA C 57 64.696 64.696 63.417 1.279 25702 1447 1 3 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.393 -1.390 25702 1448 1 3 . 1 1 57 57 VAL H H 57 8.767 8.767 8.781 -0.014 25702 1449 1 3 . 1 1 58 58 ASP N N 58 118.536 118.536 119.432 -0.896 25702 1450 1 3 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.599 0.096 25702 1451 1 3 . 1 1 58 58 ASP C C 58 177.541 177.541 177.729 -0.188 25702 1452 1 3 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.229 -1.070 25702 1453 1 3 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.209 -0.739 25702 1454 1 3 . 1 1 58 58 ASP H H 58 8.653 8.653 8.216 0.437 25702 1455 1 3 . 1 1 59 59 GLU N N 59 119.610 119.610 118.227 1.383 25702 1456 1 3 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.405 -0.052 25702 1457 1 3 . 1 1 59 59 GLU C C 59 177.106 177.106 177.465 -0.359 25702 1458 1 3 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.679 -0.310 25702 1459 1 3 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.820 0.880 25702 1460 1 3 . 1 1 59 59 GLU H H 59 7.596 7.596 8.294 -0.698 25702 1461 1 3 . 1 1 60 60 LEU N N 60 121.513 121.513 120.973 0.540 25702 1462 1 3 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.717 0.195 25702 1463 1 3 . 1 1 60 60 LEU C C 60 177.050 177.050 176.775 0.275 25702 1464 1 3 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.772 -0.408 25702 1465 1 3 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.539 2.083 25702 1466 1 3 . 1 1 60 60 LEU H H 60 7.689 7.689 8.203 -0.514 25702 1467 1 3 . 1 1 61 61 GLY N N 61 111.170 111.170 110.277 0.893 25702 1468 1 3 . 1 1 61 61 GLY C C 61 176.313 176.313 175.434 0.879 25702 1469 1 3 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.238 0.985 25702 1470 1 3 . 1 1 61 61 GLY H H 61 8.218 8.218 8.065 0.153 25702 1471 1 3 . 1 1 62 62 ASP N N 62 119.711 119.711 120.144 -0.433 25702 1472 1 3 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.573 -0.255 25702 1473 1 3 . 1 1 62 62 ASP C C 62 178.935 178.935 177.964 0.971 25702 1474 1 3 . 1 1 62 62 ASP CA C 62 56.679 56.679 57.487 -0.808 25702 1475 1 3 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.348 -1.085 25702 1476 1 3 . 1 1 62 62 ASP H H 62 9.141 9.141 8.544 0.597 25702 1477 1 3 . 1 1 63 63 VAL N N 63 120.511 120.511 119.307 1.204 25702 1478 1 3 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.670 -0.347 25702 1479 1 3 . 1 1 63 63 VAL C C 63 179.266 179.266 177.577 1.689 25702 1480 1 3 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.772 -0.378 25702 1481 1 3 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.215 0.077 25702 1482 1 3 . 1 1 63 63 VAL H H 63 7.275 7.275 7.682 -0.407 25702 1483 1 3 . 1 1 64 64 ALA N N 64 122.711 122.711 120.898 1.813 25702 1484 1 3 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.926 -0.136 25702 1485 1 3 . 1 1 64 64 ALA C C 64 178.540 178.540 179.837 -1.297 25702 1486 1 3 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.224 0.661 25702 1487 1 3 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.500 -0.683 25702 1488 1 3 . 1 1 64 64 ALA H H 64 7.264 7.264 7.742 -0.478 25702 1489 1 3 . 1 1 65 65 GLN N N 65 117.988 117.988 116.511 1.477 25702 1490 1 3 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.023 0.034 25702 1491 1 3 . 1 1 65 65 GLN C C 65 180.544 180.544 178.144 2.400 25702 1492 1 3 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.975 1.034 25702 1493 1 3 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.862 -0.561 25702 1494 1 3 . 1 1 65 65 GLN H H 65 8.344 8.344 8.040 0.304 25702 1495 1 3 . 1 1 66 66 LYS N N 66 120.050 120.050 118.374 1.676 25702 1496 1 3 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.022 0.032 25702 1497 1 3 . 1 1 66 66 LYS C C 66 176.954 176.954 177.043 -0.089 25702 1498 1 3 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.172 0.645 25702 1499 1 3 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.092 0.087 25702 1500 1 3 . 1 1 66 66 LYS H H 66 7.971 7.971 7.693 0.278 25702 1501 1 3 . 1 1 67 67 ASN N N 67 114.553 114.553 114.555 -0.002 25702 1502 1 3 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.394 0.382 25702 1503 1 3 . 1 1 67 67 ASN C C 67 171.614 171.614 174.532 -2.918 25702 1504 1 3 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.932 1.148 25702 1505 1 3 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.479 0.630 25702 1506 1 3 . 1 1 67 67 ASN H H 67 7.064 7.064 7.445 -0.381 25702 1507 1 3 . 1 1 68 68 GLU N N 68 114.491 114.491 115.978 -1.487 25702 1508 1 3 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.915 -0.174 25702 1509 1 3 . 1 1 68 68 GLU C C 68 175.660 175.660 173.777 1.883 25702 1510 1 3 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.336 -0.330 25702 1511 1 3 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.748 -1.776 25702 1512 1 3 . 1 1 68 68 GLU H H 68 7.755 7.755 7.853 -0.098 25702 1513 1 3 . 1 1 69 69 VAL N N 69 120.375 120.375 118.023 2.352 25702 1514 1 3 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.362 -0.458 25702 1515 1 3 . 1 1 69 69 VAL C C 69 175.415 175.415 174.043 1.372 25702 1516 1 3 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.615 1.255 25702 1517 1 3 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.508 -1.594 25702 1518 1 3 . 1 1 69 69 VAL H H 69 7.787 7.787 7.878 -0.091 25702 1519 1 3 . 1 1 70 70 SER N N 70 121.558 121.558 123.179 -1.621 25702 1520 1 3 . 1 1 70 70 SER HA H 70 4.488 4.488 4.691 -0.203 25702 1521 1 3 . 1 1 70 70 SER C C 70 172.616 172.616 174.753 -2.137 25702 1522 1 3 . 1 1 70 70 SER CA C 70 57.728 57.728 58.332 -0.604 25702 1523 1 3 . 1 1 70 70 SER CB C 70 64.713 64.713 64.385 0.328 25702 1524 1 3 . 1 1 70 70 SER H H 70 8.565 8.565 8.672 -0.107 25702 1525 1 3 . 1 1 71 71 ALA N N 71 125.848 125.848 124.466 1.382 25702 1526 1 3 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.707 -0.128 25702 1527 1 3 . 1 1 71 71 ALA C C 71 175.531 175.531 175.750 -0.219 25702 1528 1 3 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.463 0.029 25702 1529 1 3 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.497 0.865 25702 1530 1 3 . 1 1 71 71 ALA H H 71 7.861 7.861 8.032 -0.171 25702 1531 1 3 . 1 1 72 72 MET N N 72 118.991 118.991 119.538 -0.547 25702 1532 1 3 . 1 1 72 72 MET HA H 72 4.879 4.879 4.983 -0.104 25702 1533 1 3 . 1 1 72 72 MET CA C 72 51.907 51.907 52.307 -0.400 25702 1534 1 3 . 1 1 72 72 MET CB C 72 35.595 35.595 34.441 1.154 25702 1535 1 3 . 1 1 72 72 MET H H 72 8.553 8.553 8.453 0.100 25702 1536 1 3 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.943 0.063 25702 1537 1 3 . 1 1 73 73 PRO C C 73 176.015 176.015 175.753 0.262 25702 1538 1 3 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.279 0.750 25702 1539 1 3 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.330 1.035 25702 1540 1 3 . 1 1 74 74 THR N N 74 114.577 114.577 116.091 -1.514 25702 1541 1 3 . 1 1 74 74 THR HA H 74 5.013 5.013 5.042 -0.029 25702 1542 1 3 . 1 1 74 74 THR C C 74 171.538 171.538 172.963 -1.425 25702 1543 1 3 . 1 1 74 74 THR CA C 74 63.556 63.556 62.152 1.404 25702 1544 1 3 . 1 1 74 74 THR CB C 74 73.238 73.238 72.308 0.930 25702 1545 1 3 . 1 1 74 74 THR H H 74 7.772 7.772 9.138 -1.366 25702 1546 1 3 . 1 1 75 75 LEU N N 75 131.086 131.086 126.544 4.542 25702 1547 1 3 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.561 -0.075 25702 1548 1 3 . 1 1 75 75 LEU C C 75 174.827 174.827 175.475 -0.648 25702 1549 1 3 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.053 -0.731 25702 1550 1 3 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.642 -0.493 25702 1551 1 3 . 1 1 75 75 LEU H H 75 9.517 9.517 9.390 0.127 25702 1552 1 3 . 1 1 76 76 LEU N N 76 123.573 123.573 123.968 -0.395 25702 1553 1 3 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.839 0.064 25702 1554 1 3 . 1 1 76 76 LEU C C 76 174.229 174.229 175.084 -0.855 25702 1555 1 3 . 1 1 76 76 LEU CA C 76 53.487 53.487 54.055 -0.568 25702 1556 1 3 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.622 0.448 25702 1557 1 3 . 1 1 76 76 LEU H H 76 9.214 9.214 9.092 0.122 25702 1558 1 3 . 1 1 77 77 LEU N N 77 123.032 123.032 125.106 -2.074 25702 1559 1 3 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.514 -0.266 25702 1560 1 3 . 1 1 77 77 LEU C C 77 174.961 174.961 175.801 -0.840 25702 1561 1 3 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.477 1.252 25702 1562 1 3 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.920 -0.229 25702 1563 1 3 . 1 1 77 77 LEU H H 77 8.189 8.189 9.020 -0.831 25702 1564 1 3 . 1 1 78 78 PHE N N 78 121.929 121.929 123.008 -1.079 25702 1565 1 3 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.893 0.504 25702 1566 1 3 . 1 1 78 78 PHE C C 78 174.427 174.427 174.158 0.269 25702 1567 1 3 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.986 -0.605 25702 1568 1 3 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.166 0.152 25702 1569 1 3 . 1 1 78 78 PHE H H 78 9.748 9.748 8.629 1.119 25702 1570 1 3 . 1 1 79 79 LYS N N 79 117.221 117.221 120.796 -3.575 25702 1571 1 3 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.258 -0.445 25702 1572 1 3 . 1 1 79 79 LYS C C 79 177.709 177.709 176.284 1.425 25702 1573 1 3 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.953 2.469 25702 1574 1 3 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.506 0.764 25702 1575 1 3 . 1 1 79 79 LYS H H 79 8.741 8.741 9.350 -0.609 25702 1576 1 3 . 1 1 80 80 ASN N N 80 125.563 125.563 124.837 0.726 25702 1577 1 3 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.416 -0.111 25702 1578 1 3 . 1 1 80 80 ASN C C 80 175.395 175.395 175.453 -0.058 25702 1579 1 3 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.845 0.624 25702 1580 1 3 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.092 1.579 25702 1581 1 3 . 1 1 80 80 ASN H H 80 8.890 8.890 9.004 -0.114 25702 1582 1 3 . 1 1 81 81 GLY N N 81 102.976 102.976 103.689 -0.713 25702 1583 1 3 . 1 1 81 81 GLY C C 81 173.223 173.223 173.918 -0.695 25702 1584 1 3 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.296 0.349 25702 1585 1 3 . 1 1 81 81 GLY H H 81 8.640 8.640 8.783 -0.143 25702 1586 1 3 . 1 1 82 82 LYS N N 82 119.280 119.280 119.588 -0.308 25702 1587 1 3 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.844 -0.121 25702 1588 1 3 . 1 1 82 82 LYS C C 82 174.897 174.897 174.866 0.031 25702 1589 1 3 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.125 0.230 25702 1590 1 3 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.398 -0.071 25702 1591 1 3 . 1 1 82 82 LYS H H 82 7.583 7.583 7.981 -0.398 25702 1592 1 3 . 1 1 83 83 GLU N N 83 125.460 125.460 119.971 5.489 25702 1593 1 3 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.454 0.405 25702 1594 1 3 . 1 1 83 83 GLU C C 83 177.249 177.249 176.993 0.256 25702 1595 1 3 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.561 -0.602 25702 1596 1 3 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.177 0.335 25702 1597 1 3 . 1 1 83 83 GLU H H 83 8.818 8.818 8.695 0.123 25702 1598 1 3 . 1 1 84 84 VAL N N 84 121.989 121.989 113.508 8.481 25702 1599 1 3 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.385 0.037 25702 1600 1 3 . 1 1 84 84 VAL C C 84 175.625 175.625 174.988 0.637 25702 1601 1 3 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.869 -0.786 25702 1602 1 3 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.232 -1.141 25702 1603 1 3 . 1 1 84 84 VAL H H 84 9.281 9.281 8.267 1.014 25702 1604 1 3 . 1 1 85 85 ALA N N 85 121.284 121.284 122.497 -1.213 25702 1605 1 3 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.535 -0.136 25702 1606 1 3 . 1 1 85 85 ALA C C 85 173.805 173.805 174.418 -0.613 25702 1607 1 3 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.127 0.529 25702 1608 1 3 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.331 0.656 25702 1609 1 3 . 1 1 85 85 ALA H H 85 7.564 7.564 7.522 0.042 25702 1610 1 3 . 1 1 86 86 LYS N N 86 119.558 119.558 121.578 -2.020 25702 1611 1 3 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.226 -0.280 25702 1612 1 3 . 1 1 86 86 LYS C C 86 174.999 174.999 174.590 0.409 25702 1613 1 3 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.364 -0.025 25702 1614 1 3 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.940 -0.335 25702 1615 1 3 . 1 1 86 86 LYS H H 86 8.000 8.000 8.271 -0.271 25702 1616 1 3 . 1 1 87 87 VAL N N 87 126.118 126.118 125.089 1.029 25702 1617 1 3 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.477 0.226 25702 1618 1 3 . 1 1 87 87 VAL C C 87 174.516 174.516 174.718 -0.202 25702 1619 1 3 . 1 1 87 87 VAL CA C 87 61.379 61.379 60.633 0.746 25702 1620 1 3 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.371 -1.184 25702 1621 1 3 . 1 1 87 87 VAL H H 87 9.198 9.198 9.229 -0.031 25702 1622 1 3 . 1 1 88 88 VAL N N 88 128.549 128.549 125.387 3.162 25702 1623 1 3 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.698 -0.244 25702 1624 1 3 . 1 1 88 88 VAL C C 88 176.142 176.142 175.171 0.971 25702 1625 1 3 . 1 1 88 88 VAL CA C 88 61.982 61.982 60.809 1.173 25702 1626 1 3 . 1 1 88 88 VAL CB C 88 32.641 32.641 32.047 0.594 25702 1627 1 3 . 1 1 88 88 VAL H H 88 9.031 9.031 8.613 0.418 25702 1628 1 3 . 1 1 89 89 GLY N N 89 114.516 114.516 109.833 4.683 25702 1629 1 3 . 1 1 89 89 GLY C C 89 173.063 173.063 172.534 0.529 25702 1630 1 3 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.523 -2.017 25702 1631 1 3 . 1 1 89 89 GLY H H 89 8.379 8.379 7.793 0.586 25702 1632 1 3 . 1 1 90 90 ALA N N 90 122.292 122.292 124.169 -1.877 25702 1633 1 3 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.225 -0.030 25702 1634 1 3 . 1 1 90 90 ALA C C 90 174.897 174.897 176.882 -1.985 25702 1635 1 3 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.763 -2.324 25702 1636 1 3 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.793 -0.911 25702 1637 1 3 . 1 1 90 90 ALA H H 90 8.592 8.592 8.539 0.053 25702 1638 1 3 . 1 1 91 91 ASN N N 91 120.220 120.220 123.761 -3.541 25702 1639 1 3 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.008 0.103 25702 1640 1 3 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.680 0.332 25702 1641 1 3 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.665 -0.687 25702 1642 1 3 . 1 1 91 91 ASN H H 91 7.386 7.386 8.595 -1.209 25702 1643 1 3 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.199 -0.171 25702 1644 1 3 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.653 -4.556 25702 1645 1 3 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.353 -0.258 25702 1646 1 3 . 1 1 93 93 ALA C C 93 180.205 180.205 179.535 0.670 25702 1647 1 3 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.731 0.435 25702 1648 1 3 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.102 -0.120 25702 1649 1 3 . 1 1 94 94 ALA N N 94 120.499 120.499 121.937 -1.438 25702 1650 1 3 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.171 -0.110 25702 1651 1 3 . 1 1 94 94 ALA C C 94 180.917 180.917 180.036 0.881 25702 1652 1 3 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.780 -0.520 25702 1653 1 3 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.237 0.561 25702 1654 1 3 . 1 1 94 94 ALA H H 94 7.223 7.223 8.433 -1.210 25702 1655 1 3 . 1 1 95 95 ILE N N 95 119.397 119.397 117.436 1.961 25702 1656 1 3 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.669 -0.317 25702 1657 1 3 . 1 1 95 95 ILE C C 95 176.217 176.217 176.814 -0.597 25702 1658 1 3 . 1 1 95 95 ILE CA C 95 65.953 65.953 64.172 1.781 25702 1659 1 3 . 1 1 95 95 ILE CB C 95 38.380 38.380 37.794 0.587 25702 1660 1 3 . 1 1 95 95 ILE H H 95 7.772 7.772 8.610 -0.838 25702 1661 1 3 . 1 1 96 96 LYS N N 96 118.919 118.919 121.970 -3.051 25702 1662 1 3 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.770 -0.753 25702 1663 1 3 . 1 1 96 96 LYS C C 96 177.824 177.824 178.806 -0.982 25702 1664 1 3 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.378 1.248 25702 1665 1 3 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.276 -0.111 25702 1666 1 3 . 1 1 96 96 LYS H H 96 8.112 8.112 7.489 0.623 25702 1667 1 3 . 1 1 97 97 GLN N N 97 115.480 115.480 118.363 -2.883 25702 1668 1 3 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.035 -0.183 25702 1669 1 3 . 1 1 97 97 GLN C C 97 178.014 178.014 177.919 0.095 25702 1670 1 3 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.471 0.112 25702 1671 1 3 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.484 -0.140 25702 1672 1 3 . 1 1 97 97 GLN H H 97 7.686 7.686 8.294 -0.609 25702 1673 1 3 . 1 1 98 98 ALA N N 98 120.911 120.911 122.969 -2.058 25702 1674 1 3 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.993 -0.063 25702 1675 1 3 . 1 1 98 98 ALA C C 98 179.544 179.544 180.110 -0.566 25702 1676 1 3 . 1 1 98 98 ALA CA C 98 54.749 54.749 54.906 -0.156 25702 1677 1 3 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.057 -0.142 25702 1678 1 3 . 1 1 98 98 ALA H H 98 7.446 7.446 7.334 0.112 25702 1679 1 3 . 1 1 99 99 ILE N N 99 117.780 117.780 118.790 -1.010 25702 1680 1 3 . 1 1 99 99 ILE HA H 99 3.047 3.047 4.009 -0.962 25702 1681 1 3 . 1 1 99 99 ILE C C 99 177.087 177.087 178.237 -1.150 25702 1682 1 3 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.322 3.136 25702 1683 1 3 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.744 2.388 25702 1684 1 3 . 1 1 99 99 ILE H H 99 7.735 7.735 8.379 -0.644 25702 1685 1 3 . 1 1 100 100 ALA N N 100 119.516 119.516 121.229 -1.713 25702 1686 1 3 . 1 1 100 100 ALA C C 100 180.431 180.431 178.187 2.244 25702 1687 1 3 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.718 1.527 25702 1688 1 3 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.330 -0.037 25702 1689 1 3 . 1 1 100 100 ALA H H 100 8.214 8.214 7.345 0.869 25702 1690 1 3 . 1 1 101 101 ALA N N 101 115.674 115.674 121.982 -6.308 25702 1691 1 3 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.159 -0.089 25702 1692 1 3 . 1 1 101 101 ALA C C 101 178.213 178.213 178.908 -0.695 25702 1693 1 3 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.551 0.333 25702 1694 1 3 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.569 -0.526 25702 1695 1 3 . 1 1 101 101 ALA H H 101 7.619 7.619 8.270 -0.651 25702 1696 1 3 . 1 1 102 102 ASN N N 102 115.986 115.986 115.056 0.930 25702 1697 1 3 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.636 0.148 25702 1698 1 3 . 1 1 102 102 ASN C C 102 172.740 172.740 175.893 -3.153 25702 1699 1 3 . 1 1 102 102 ASN CA C 102 54.300 54.300 53.343 0.957 25702 1700 1 3 . 1 1 102 102 ASN CB C 102 42.889 42.889 38.723 4.166 25702 1701 1 3 . 1 1 102 102 ASN H H 102 7.116 7.116 8.220 -1.104 25702 1702 1 4 . 1 1 2 2 VAL N N 2 125.020 125.020 121.316 3.704 25702 1703 1 4 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.374 -0.296 25702 1704 1 4 . 1 1 2 2 VAL C C 2 175.261 175.261 175.853 -0.592 25702 1705 1 4 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.272 -0.223 25702 1706 1 4 . 1 1 2 2 VAL CB C 2 32.667 32.667 33.424 -0.757 25702 1707 1 4 . 1 1 2 2 VAL H H 2 8.590 8.590 8.414 0.176 25702 1708 1 4 . 1 1 3 3 THR N N 3 125.759 125.759 122.917 2.842 25702 1709 1 4 . 1 1 3 3 THR HA H 3 4.138 4.138 4.265 -0.127 25702 1710 1 4 . 1 1 3 3 THR C C 3 173.129 173.129 173.483 -0.354 25702 1711 1 4 . 1 1 3 3 THR CA C 3 62.804 62.804 63.750 -0.946 25702 1712 1 4 . 1 1 3 3 THR CB C 3 69.547 69.547 69.691 -0.144 25702 1713 1 4 . 1 1 3 3 THR H H 3 7.778 7.778 8.379 -0.601 25702 1714 1 4 . 1 1 4 4 GLN N N 4 127.746 127.746 124.646 3.100 25702 1715 1 4 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.739 0.000 25702 1716 1 4 . 1 1 4 4 GLN C C 4 176.754 176.754 175.699 1.055 25702 1717 1 4 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.308 -0.873 25702 1718 1 4 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.806 -0.276 25702 1719 1 4 . 1 1 4 4 GLN H H 4 8.975 8.975 8.427 0.548 25702 1720 1 4 . 1 1 5 5 PHE N N 5 126.242 126.242 126.948 -0.706 25702 1721 1 4 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.857 -0.040 25702 1722 1 4 . 1 1 5 5 PHE C C 5 176.102 176.102 176.415 -0.313 25702 1723 1 4 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.069 2.459 25702 1724 1 4 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.179 0.341 25702 1725 1 4 . 1 1 5 5 PHE H H 5 8.422 8.422 8.745 -0.323 25702 1726 1 4 . 1 1 6 6 LYS N N 6 119.482 119.482 118.568 0.914 25702 1727 1 4 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.547 0.074 25702 1728 1 4 . 1 1 6 6 LYS C C 6 176.994 176.994 175.957 1.037 25702 1729 1 4 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.231 -0.216 25702 1730 1 4 . 1 1 6 6 LYS CB C 6 34.132 34.132 35.354 -1.222 25702 1731 1 4 . 1 1 6 6 LYS H H 6 9.822 9.822 8.686 1.136 25702 1732 1 4 . 1 1 7 7 THR N N 7 107.464 107.464 111.718 -4.254 25702 1733 1 4 . 1 1 7 7 THR HA H 7 4.597 4.597 4.559 0.038 25702 1734 1 4 . 1 1 7 7 THR C C 7 173.921 173.921 174.536 -0.615 25702 1735 1 4 . 1 1 7 7 THR CA C 7 59.155 59.155 59.714 -0.559 25702 1736 1 4 . 1 1 7 7 THR CB C 7 72.660 72.660 71.996 0.664 25702 1737 1 4 . 1 1 7 7 THR H H 7 7.484 7.484 8.025 -0.541 25702 1738 1 4 . 1 1 8 8 ALA N N 8 123.987 123.987 123.854 0.133 25702 1739 1 4 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.077 -0.368 25702 1740 1 4 . 1 1 8 8 ALA C C 8 179.409 179.409 179.263 0.146 25702 1741 1 4 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.826 0.176 25702 1742 1 4 . 1 1 8 8 ALA CB C 8 18.090 18.090 17.975 0.115 25702 1743 1 4 . 1 1 8 8 ALA H H 8 9.031 9.031 8.714 0.317 25702 1744 1 4 . 1 1 9 9 SER N N 9 112.387 112.387 114.825 -2.438 25702 1745 1 4 . 1 1 9 9 SER HA H 9 4.127 4.127 4.028 0.099 25702 1746 1 4 . 1 1 9 9 SER C C 9 177.070 177.070 176.755 0.315 25702 1747 1 4 . 1 1 9 9 SER CA C 9 61.109 61.109 61.844 -0.735 25702 1748 1 4 . 1 1 9 9 SER CB C 9 62.226 62.226 62.858 -0.632 25702 1749 1 4 . 1 1 9 9 SER H H 9 8.161 8.161 8.445 -0.284 25702 1750 1 4 . 1 1 10 10 GLU N N 10 121.941 121.941 122.229 -0.288 25702 1751 1 4 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.819 0.032 25702 1752 1 4 . 1 1 10 10 GLU C C 10 178.776 178.776 178.092 0.684 25702 1753 1 4 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.864 -0.181 25702 1754 1 4 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.267 1.736 25702 1755 1 4 . 1 1 10 10 GLU H H 10 7.522 7.522 7.392 0.130 25702 1756 1 4 . 1 1 11 11 PHE N N 11 120.541 120.541 120.060 0.481 25702 1757 1 4 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.048 -0.202 25702 1758 1 4 . 1 1 11 11 PHE C C 11 174.944 174.944 176.746 -1.802 25702 1759 1 4 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.938 -0.231 25702 1760 1 4 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.759 -1.021 25702 1761 1 4 . 1 1 11 11 PHE H H 11 6.624 6.624 7.159 -0.535 25702 1762 1 4 . 1 1 12 12 ASP N N 12 117.847 117.847 118.913 -1.066 25702 1763 1 4 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.116 -0.285 25702 1764 1 4 . 1 1 12 12 ASP C C 12 178.767 178.767 178.830 -0.063 25702 1765 1 4 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.694 -0.477 25702 1766 1 4 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.075 0.224 25702 1767 1 4 . 1 1 12 12 ASP H H 12 7.637 7.637 8.246 -0.609 25702 1768 1 4 . 1 1 13 13 SER N N 13 111.904 111.904 115.695 -3.791 25702 1769 1 4 . 1 1 13 13 SER HA H 13 4.034 4.034 4.137 -0.103 25702 1770 1 4 . 1 1 13 13 SER C C 13 176.341 176.341 175.942 0.399 25702 1771 1 4 . 1 1 13 13 SER CA C 13 60.857 60.857 60.946 -0.089 25702 1772 1 4 . 1 1 13 13 SER CB C 13 63.144 63.144 63.044 0.100 25702 1773 1 4 . 1 1 13 13 SER H H 13 7.539 7.539 8.236 -0.697 25702 1774 1 4 . 1 1 14 14 ALA N N 14 123.793 123.793 122.352 1.441 25702 1775 1 4 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.015 0.012 25702 1776 1 4 . 1 1 14 14 ALA C C 14 180.358 180.358 179.623 0.735 25702 1777 1 4 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.051 0.789 25702 1778 1 4 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.650 0.176 25702 1779 1 4 . 1 1 14 14 ALA H H 14 7.647 7.647 7.449 0.198 25702 1780 1 4 . 1 1 15 15 ILE N N 15 106.782 106.782 119.592 -12.810 25702 1781 1 4 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.607 0.113 25702 1782 1 4 . 1 1 15 15 ILE C C 15 176.012 176.012 177.965 -1.953 25702 1783 1 4 . 1 1 15 15 ILE CA C 15 63.495 63.495 62.139 1.356 25702 1784 1 4 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.135 1.660 25702 1785 1 4 . 1 1 15 15 ILE H H 15 7.146 7.146 7.859 -0.713 25702 1786 1 4 . 1 1 16 16 ALA N N 16 122.248 122.248 119.571 2.677 25702 1787 1 4 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.239 -0.208 25702 1788 1 4 . 1 1 16 16 ALA C C 16 177.072 177.072 177.193 -0.121 25702 1789 1 4 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.023 -0.273 25702 1790 1 4 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.344 0.026 25702 1791 1 4 . 1 1 16 16 ALA H H 16 6.627 6.627 7.735 -1.108 25702 1792 1 4 . 1 1 17 17 GLN N N 17 115.254 115.254 118.825 -3.571 25702 1793 1 4 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.241 -0.022 25702 1794 1 4 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.343 0.555 25702 1795 1 4 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.582 4.382 25702 1796 1 4 . 1 1 17 17 GLN H H 17 7.136 7.136 7.235 -0.099 25702 1797 1 4 . 1 1 18 18 ASP N N 18 122.840 122.840 119.910 2.930 25702 1798 1 4 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.486 0.046 25702 1799 1 4 . 1 1 18 18 ASP C C 18 175.348 175.348 175.241 0.107 25702 1800 1 4 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.603 -0.093 25702 1801 1 4 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.135 -0.085 25702 1802 1 4 . 1 1 18 18 ASP H H 18 8.644 8.644 8.623 0.021 25702 1803 1 4 . 1 1 19 19 LYS N N 19 118.503 118.503 115.533 2.970 25702 1804 1 4 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.531 -0.148 25702 1805 1 4 . 1 1 19 19 LYS C C 19 173.289 173.289 175.054 -1.765 25702 1806 1 4 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.492 1.229 25702 1807 1 4 . 1 1 19 19 LYS CB C 19 34.216 34.216 33.992 0.224 25702 1808 1 4 . 1 1 19 19 LYS H H 19 7.939 7.939 7.508 0.431 25702 1809 1 4 . 1 1 20 20 LEU N N 20 120.813 120.813 123.801 -2.988 25702 1810 1 4 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.678 0.031 25702 1811 1 4 . 1 1 20 20 LEU C C 20 174.429 174.429 175.815 -1.386 25702 1812 1 4 . 1 1 20 20 LEU CA C 20 55.787 55.787 55.220 0.567 25702 1813 1 4 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.669 -0.108 25702 1814 1 4 . 1 1 20 20 LEU H H 20 8.625 8.625 8.768 -0.143 25702 1815 1 4 . 1 1 21 21 VAL N N 21 128.813 128.813 127.826 0.987 25702 1816 1 4 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.379 -0.114 25702 1817 1 4 . 1 1 21 21 VAL C C 21 174.618 174.618 174.923 -0.305 25702 1818 1 4 . 1 1 21 21 VAL CA C 21 61.583 61.583 60.979 0.604 25702 1819 1 4 . 1 1 21 21 VAL CB C 21 34.577 34.577 31.717 2.860 25702 1820 1 4 . 1 1 21 21 VAL H H 21 9.251 9.251 9.293 -0.042 25702 1821 1 4 . 1 1 22 22 VAL N N 22 130.243 130.243 129.204 1.039 25702 1822 1 4 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.227 0.036 25702 1823 1 4 . 1 1 22 22 VAL C C 22 174.802 174.802 174.482 0.320 25702 1824 1 4 . 1 1 22 22 VAL CA C 22 61.642 61.642 62.183 -0.541 25702 1825 1 4 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.696 1.128 25702 1826 1 4 . 1 1 22 22 VAL H H 22 8.969 8.969 9.178 -0.209 25702 1827 1 4 . 1 1 23 23 VAL N N 23 125.526 125.526 129.135 -3.609 25702 1828 1 4 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.927 -0.275 25702 1829 1 4 . 1 1 23 23 VAL C C 23 174.086 174.086 174.772 -0.686 25702 1830 1 4 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.803 0.980 25702 1831 1 4 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.544 0.880 25702 1832 1 4 . 1 1 23 23 VAL H H 23 9.555 9.555 8.732 0.823 25702 1833 1 4 . 1 1 24 24 ALA N N 24 130.468 130.468 131.105 -0.637 25702 1834 1 4 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.995 0.008 25702 1835 1 4 . 1 1 24 24 ALA C C 24 175.093 175.093 175.910 -0.817 25702 1836 1 4 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.822 0.288 25702 1837 1 4 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.878 -0.335 25702 1838 1 4 . 1 1 24 24 ALA H H 24 9.004 9.004 9.391 -0.387 25702 1839 1 4 . 1 1 25 25 PHE N N 25 124.289 124.289 126.437 -2.148 25702 1840 1 4 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.663 -0.644 25702 1841 1 4 . 1 1 25 25 PHE C C 25 174.794 174.794 174.675 0.119 25702 1842 1 4 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.707 1.913 25702 1843 1 4 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.230 -1.465 25702 1844 1 4 . 1 1 25 25 PHE H H 25 9.455 9.455 9.102 0.353 25702 1845 1 4 . 1 1 26 26 TYR N N 26 120.967 120.967 120.859 0.108 25702 1846 1 4 . 1 1 26 26 TYR HA H 26 5.351 5.351 5.015 0.336 25702 1847 1 4 . 1 1 26 26 TYR C C 26 171.352 171.352 173.143 -1.791 25702 1848 1 4 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.358 -0.527 25702 1849 1 4 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.938 1.996 25702 1850 1 4 . 1 1 26 26 TYR H H 26 8.908 8.908 8.455 0.453 25702 1851 1 4 . 1 1 27 27 ALA N N 27 119.133 119.133 122.016 -2.883 25702 1852 1 4 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.415 0.144 25702 1853 1 4 . 1 1 27 27 ALA C C 27 179.092 179.092 177.550 1.542 25702 1854 1 4 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.239 -0.085 25702 1855 1 4 . 1 1 27 27 ALA CB C 27 21.950 21.950 19.660 2.289 25702 1856 1 4 . 1 1 27 27 ALA H H 27 6.962 6.962 8.361 -1.399 25702 1857 1 4 . 1 1 28 28 THR N N 28 116.784 116.784 121.137 -4.353 25702 1858 1 4 . 1 1 28 28 THR HA H 28 3.867 3.867 4.079 -0.212 25702 1859 1 4 . 1 1 28 28 THR C C 28 174.957 174.957 174.874 0.083 25702 1860 1 4 . 1 1 28 28 THR CA C 28 64.820 64.820 65.414 -0.594 25702 1861 1 4 . 1 1 28 28 THR CB C 28 69.197 69.197 68.592 0.605 25702 1862 1 4 . 1 1 28 28 THR H H 28 10.053 10.053 8.723 1.330 25702 1863 1 4 . 1 1 29 29 TRP N N 29 114.763 114.763 118.263 -3.500 25702 1864 1 4 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.645 -0.123 25702 1865 1 4 . 1 1 29 29 TRP C C 29 175.478 175.478 175.896 -0.418 25702 1866 1 4 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.997 -2.492 25702 1867 1 4 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.593 0.750 25702 1868 1 4 . 1 1 29 29 TRP H H 29 6.495 6.495 7.208 -0.713 25702 1869 1 4 . 1 1 30 30 CYS N N 30 122.729 122.729 121.426 1.303 25702 1870 1 4 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.686 -0.195 25702 1871 1 4 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.897 -0.395 25702 1872 1 4 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.952 -2.304 25702 1873 1 4 . 1 1 30 30 CYS H H 30 6.484 6.484 7.411 -0.927 25702 1874 1 4 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.126 -0.166 25702 1875 1 4 . 1 1 33 33 CYS C C 33 176.605 176.605 175.472 1.133 25702 1876 1 4 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.639 1.923 25702 1877 1 4 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.816 0.411 25702 1878 1 4 . 1 1 34 34 LYS N N 34 120.638 120.638 119.171 1.467 25702 1879 1 4 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.953 -0.031 25702 1880 1 4 . 1 1 34 34 LYS C C 34 178.623 178.623 177.353 1.270 25702 1881 1 4 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.207 0.915 25702 1882 1 4 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.367 0.820 25702 1883 1 4 . 1 1 34 34 LYS H H 34 7.828 7.828 7.363 0.465 25702 1884 1 4 . 1 1 35 35 MET N N 35 115.754 115.754 118.603 -2.849 25702 1885 1 4 . 1 1 35 35 MET HA H 35 4.230 4.230 4.352 -0.122 25702 1886 1 4 . 1 1 35 35 MET C C 35 177.927 177.927 177.261 0.666 25702 1887 1 4 . 1 1 35 35 MET CA C 35 56.931 56.931 55.690 1.241 25702 1888 1 4 . 1 1 35 35 MET CB C 35 32.038 32.038 33.152 -1.114 25702 1889 1 4 . 1 1 35 35 MET H H 35 7.612 7.612 7.503 0.109 25702 1890 1 4 . 1 1 36 36 ILE N N 36 114.905 114.905 119.263 -4.358 25702 1891 1 4 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.763 0.489 25702 1892 1 4 . 1 1 36 36 ILE C C 36 176.681 176.681 177.213 -0.532 25702 1893 1 4 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.976 -1.833 25702 1894 1 4 . 1 1 36 36 ILE CB C 36 38.885 38.885 36.931 1.954 25702 1895 1 4 . 1 1 36 36 ILE H H 36 7.399 7.399 7.374 0.025 25702 1896 1 4 . 1 1 37 37 ALA N N 37 125.154 125.154 123.497 1.657 25702 1897 1 4 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.895 0.184 25702 1898 1 4 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.647 0.424 25702 1899 1 4 . 1 1 37 37 ALA CB C 37 15.458 15.458 15.976 -0.518 25702 1900 1 4 . 1 1 37 37 ALA H H 37 7.587 7.587 7.467 0.120 25702 1901 1 4 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.269 -0.030 25702 1902 1 4 . 1 1 38 38 PRO C C 38 179.456 179.456 178.194 1.262 25702 1903 1 4 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.691 0.496 25702 1904 1 4 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.617 -0.854 25702 1905 1 4 . 1 1 39 39 MET N N 39 117.231 117.231 118.709 -1.478 25702 1906 1 4 . 1 1 39 39 MET HA H 39 3.854 3.854 3.977 -0.123 25702 1907 1 4 . 1 1 39 39 MET C C 39 177.388 177.388 177.411 -0.023 25702 1908 1 4 . 1 1 39 39 MET CA C 39 57.916 57.916 59.079 -1.163 25702 1909 1 4 . 1 1 39 39 MET CB C 39 32.238 32.238 32.410 -0.172 25702 1910 1 4 . 1 1 39 39 MET H H 39 7.051 7.051 7.576 -0.525 25702 1911 1 4 . 1 1 40 40 ILE N N 40 117.419 117.419 118.807 -1.388 25702 1912 1 4 . 1 1 40 40 ILE HA H 40 3.675 3.675 2.177 1.498 25702 1913 1 4 . 1 1 40 40 ILE C C 40 177.699 177.699 177.031 0.668 25702 1914 1 4 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.336 -0.667 25702 1915 1 4 . 1 1 40 40 ILE CB C 40 35.771 35.771 37.857 -2.086 25702 1916 1 4 . 1 1 40 40 ILE H H 40 7.825 7.825 7.219 0.606 25702 1917 1 4 . 1 1 41 41 GLU N N 41 119.014 119.014 120.116 -1.102 25702 1918 1 4 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.788 -0.202 25702 1919 1 4 . 1 1 41 41 GLU C C 41 180.065 180.065 178.271 1.794 25702 1920 1 4 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.017 0.390 25702 1921 1 4 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.484 -1.010 25702 1922 1 4 . 1 1 41 41 GLU H H 41 7.475 7.475 7.452 0.023 25702 1923 1 4 . 1 1 42 42 LYS N N 42 120.988 120.988 119.842 1.146 25702 1924 1 4 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.961 -0.044 25702 1925 1 4 . 1 1 42 42 LYS C C 42 179.895 179.895 178.815 1.080 25702 1926 1 4 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.156 0.879 25702 1927 1 4 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.616 -0.771 25702 1928 1 4 . 1 1 42 42 LYS H H 42 7.402 7.402 7.488 -0.086 25702 1929 1 4 . 1 1 43 43 PHE N N 43 118.946 118.946 117.809 1.137 25702 1930 1 4 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.975 -0.811 25702 1931 1 4 . 1 1 43 43 PHE C C 43 177.806 177.806 177.812 -0.006 25702 1932 1 4 . 1 1 43 43 PHE CA C 43 60.022 60.022 58.957 1.065 25702 1933 1 4 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.847 -0.428 25702 1934 1 4 . 1 1 43 43 PHE H H 43 8.270 8.270 7.503 0.767 25702 1935 1 4 . 1 1 44 44 SER N N 44 116.035 116.035 112.248 3.787 25702 1936 1 4 . 1 1 44 44 SER HA H 44 2.873 2.873 4.323 -1.450 25702 1937 1 4 . 1 1 44 44 SER C C 44 175.522 175.522 176.002 -0.480 25702 1938 1 4 . 1 1 44 44 SER CA C 44 60.173 60.173 60.009 0.164 25702 1939 1 4 . 1 1 44 44 SER CB C 44 61.911 61.911 63.255 -1.344 25702 1940 1 4 . 1 1 44 44 SER H H 44 7.763 7.763 7.750 0.013 25702 1941 1 4 . 1 1 45 45 GLU N N 45 120.563 120.563 121.258 -0.695 25702 1942 1 4 . 1 1 45 45 GLU HA H 45 4.059 4.059 4.002 0.057 25702 1943 1 4 . 1 1 45 45 GLU C C 45 177.798 177.798 177.756 0.042 25702 1944 1 4 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.759 -1.456 25702 1945 1 4 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.479 0.158 25702 1946 1 4 . 1 1 45 45 GLU H H 45 6.888 6.888 7.685 -0.797 25702 1947 1 4 . 1 1 46 46 GLN N N 46 118.400 118.400 116.575 1.825 25702 1948 1 4 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.151 -0.224 25702 1949 1 4 . 1 1 46 46 GLN C C 46 175.422 175.422 176.593 -1.171 25702 1950 1 4 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.017 0.016 25702 1951 1 4 . 1 1 46 46 GLN CB C 46 29.690 29.690 29.882 -0.192 25702 1952 1 4 . 1 1 46 46 GLN H H 46 7.451 7.451 7.423 0.028 25702 1953 1 4 . 1 1 47 47 TYR N N 47 115.979 115.979 115.523 0.456 25702 1954 1 4 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.124 -0.141 25702 1955 1 4 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.921 2.163 25702 1956 1 4 . 1 1 47 47 TYR CB C 47 38.074 38.074 37.877 0.198 25702 1957 1 4 . 1 1 47 47 TYR H H 47 7.433 7.433 7.343 0.090 25702 1958 1 4 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.607 0.104 25702 1959 1 4 . 1 1 48 48 PRO C C 48 177.453 177.453 177.231 0.222 25702 1960 1 4 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.051 0.243 25702 1961 1 4 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.040 -0.170 25702 1962 1 4 . 1 1 49 49 GLN N N 49 119.035 119.035 116.496 2.539 25702 1963 1 4 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.264 0.096 25702 1964 1 4 . 1 1 49 49 GLN C C 49 174.990 174.990 175.693 -0.703 25702 1965 1 4 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.459 0.001 25702 1966 1 4 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.668 0.111 25702 1967 1 4 . 1 1 49 49 GLN H H 49 9.617 9.617 8.335 1.282 25702 1968 1 4 . 1 1 50 50 ALA N N 50 127.008 127.008 121.866 5.142 25702 1969 1 4 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.541 0.506 25702 1970 1 4 . 1 1 50 50 ALA C C 50 175.173 175.173 175.898 -0.725 25702 1971 1 4 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.923 -0.874 25702 1972 1 4 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.524 0.641 25702 1973 1 4 . 1 1 50 50 ALA H H 50 8.170 8.170 7.495 0.675 25702 1974 1 4 . 1 1 51 51 ASP N N 51 120.039 120.039 119.783 0.256 25702 1975 1 4 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.445 0.660 25702 1976 1 4 . 1 1 51 51 ASP C C 51 174.707 174.707 174.890 -0.183 25702 1977 1 4 . 1 1 51 51 ASP CA C 51 53.004 53.004 54.266 -1.262 25702 1978 1 4 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.215 1.058 25702 1979 1 4 . 1 1 51 51 ASP H H 51 8.411 8.411 8.500 -0.089 25702 1980 1 4 . 1 1 52 52 PHE N N 52 120.670 120.670 119.131 1.539 25702 1981 1 4 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.261 -0.082 25702 1982 1 4 . 1 1 52 52 PHE C C 52 174.633 174.633 174.003 0.630 25702 1983 1 4 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.434 1.278 25702 1984 1 4 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.910 1.964 25702 1985 1 4 . 1 1 52 52 PHE H H 52 8.943 8.943 7.266 1.677 25702 1986 1 4 . 1 1 53 53 TYR N N 53 120.949 120.949 122.462 -1.513 25702 1987 1 4 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.340 0.137 25702 1988 1 4 . 1 1 53 53 TYR C C 53 174.507 174.507 174.223 0.284 25702 1989 1 4 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.756 -1.043 25702 1990 1 4 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.878 2.964 25702 1991 1 4 . 1 1 53 53 TYR H H 53 9.336 9.336 9.211 0.125 25702 1992 1 4 . 1 1 54 54 LYS N N 54 115.771 115.771 119.211 -3.440 25702 1993 1 4 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.531 -0.032 25702 1994 1 4 . 1 1 54 54 LYS C C 54 173.200 173.200 173.631 -0.431 25702 1995 1 4 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.043 -1.548 25702 1996 1 4 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.543 -1.587 25702 1997 1 4 . 1 1 54 54 LYS H H 54 8.451 8.451 9.098 -0.647 25702 1998 1 4 . 1 1 55 55 LEU N N 55 123.037 123.037 120.887 2.150 25702 1999 1 4 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.522 -0.051 25702 2000 1 4 . 1 1 55 55 LEU C C 55 172.053 172.053 173.072 -1.019 25702 2001 1 4 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.752 0.634 25702 2002 1 4 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.110 -0.297 25702 2003 1 4 . 1 1 55 55 LEU H H 55 8.783 8.783 8.729 0.054 25702 2004 1 4 . 1 1 56 56 ASP N N 56 126.250 126.250 124.028 2.222 25702 2005 1 4 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.079 -0.922 25702 2006 1 4 . 1 1 56 56 ASP C C 56 178.219 178.219 177.743 0.476 25702 2007 1 4 . 1 1 56 56 ASP CA C 56 52.242 52.242 53.532 -1.290 25702 2008 1 4 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.188 -0.440 25702 2009 1 4 . 1 1 56 56 ASP H H 56 8.580 8.580 8.502 0.078 25702 2010 1 4 . 1 1 57 57 VAL N N 57 123.015 123.015 121.147 1.868 25702 2011 1 4 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.896 -0.480 25702 2012 1 4 . 1 1 57 57 VAL C C 57 175.672 175.672 175.945 -0.273 25702 2013 1 4 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.594 0.103 25702 2014 1 4 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.077 -1.074 25702 2015 1 4 . 1 1 57 57 VAL H H 57 8.767 8.767 8.310 0.457 25702 2016 1 4 . 1 1 58 58 ASP N N 58 118.536 118.536 118.675 -0.139 25702 2017 1 4 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.593 0.102 25702 2018 1 4 . 1 1 58 58 ASP C C 58 177.541 177.541 178.180 -0.639 25702 2019 1 4 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.082 -0.923 25702 2020 1 4 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.175 -0.705 25702 2021 1 4 . 1 1 58 58 ASP H H 58 8.653 8.653 8.344 0.309 25702 2022 1 4 . 1 1 59 59 GLU N N 59 119.610 119.610 118.298 1.312 25702 2023 1 4 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.296 0.057 25702 2024 1 4 . 1 1 59 59 GLU C C 59 177.106 177.106 177.362 -0.256 25702 2025 1 4 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.750 -0.381 25702 2026 1 4 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.746 0.954 25702 2027 1 4 . 1 1 59 59 GLU H H 59 7.596 7.596 7.684 -0.088 25702 2028 1 4 . 1 1 60 60 LEU N N 60 121.513 121.513 120.949 0.564 25702 2029 1 4 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.745 0.167 25702 2030 1 4 . 1 1 60 60 LEU C C 60 177.050 177.050 177.117 -0.067 25702 2031 1 4 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.317 -0.953 25702 2032 1 4 . 1 1 60 60 LEU CB C 60 41.622 41.622 40.598 1.024 25702 2033 1 4 . 1 1 60 60 LEU H H 60 7.689 7.689 8.326 -0.637 25702 2034 1 4 . 1 1 61 61 GLY N N 61 111.170 111.170 109.977 1.193 25702 2035 1 4 . 1 1 61 61 GLY C C 61 176.313 176.313 175.817 0.496 25702 2036 1 4 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.065 1.158 25702 2037 1 4 . 1 1 61 61 GLY H H 61 8.218 8.218 8.571 -0.353 25702 2038 1 4 . 1 1 62 62 ASP N N 62 119.711 119.711 120.730 -1.019 25702 2039 1 4 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.388 -0.070 25702 2040 1 4 . 1 1 62 62 ASP C C 62 178.935 178.935 177.927 1.008 25702 2041 1 4 . 1 1 62 62 ASP CA C 62 56.679 56.679 57.121 -0.442 25702 2042 1 4 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.378 -1.115 25702 2043 1 4 . 1 1 62 62 ASP H H 62 9.141 9.141 8.586 0.555 25702 2044 1 4 . 1 1 63 63 VAL N N 63 120.511 120.511 120.441 0.070 25702 2045 1 4 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.655 -0.332 25702 2046 1 4 . 1 1 63 63 VAL C C 63 179.266 179.266 177.701 1.565 25702 2047 1 4 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.107 -0.713 25702 2048 1 4 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.619 -0.327 25702 2049 1 4 . 1 1 63 63 VAL H H 63 7.275 7.275 7.811 -0.536 25702 2050 1 4 . 1 1 64 64 ALA N N 64 122.711 122.711 120.787 1.924 25702 2051 1 4 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.982 -0.192 25702 2052 1 4 . 1 1 64 64 ALA C C 64 178.540 178.540 179.931 -1.391 25702 2053 1 4 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.437 0.448 25702 2054 1 4 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.398 -0.582 25702 2055 1 4 . 1 1 64 64 ALA H H 64 7.264 7.264 7.804 -0.540 25702 2056 1 4 . 1 1 65 65 GLN N N 65 117.988 117.988 116.582 1.406 25702 2057 1 4 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.075 -0.018 25702 2058 1 4 . 1 1 65 65 GLN C C 65 180.544 180.544 178.744 1.800 25702 2059 1 4 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.640 1.369 25702 2060 1 4 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.380 -0.079 25702 2061 1 4 . 1 1 65 65 GLN H H 65 8.344 8.344 8.254 0.090 25702 2062 1 4 . 1 1 66 66 LYS N N 66 120.050 120.050 119.409 0.641 25702 2063 1 4 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.008 0.046 25702 2064 1 4 . 1 1 66 66 LYS C C 66 176.954 176.954 177.221 -0.267 25702 2065 1 4 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.255 0.562 25702 2066 1 4 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.071 0.108 25702 2067 1 4 . 1 1 66 66 LYS H H 66 7.971 7.971 7.864 0.107 25702 2068 1 4 . 1 1 67 67 ASN N N 67 114.553 114.553 115.398 -0.845 25702 2069 1 4 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.502 0.274 25702 2070 1 4 . 1 1 67 67 ASN C C 67 171.614 171.614 174.812 -3.198 25702 2071 1 4 . 1 1 67 67 ASN CA C 67 54.080 54.080 53.001 1.079 25702 2072 1 4 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.068 1.041 25702 2073 1 4 . 1 1 67 67 ASN H H 67 7.064 7.064 7.354 -0.290 25702 2074 1 4 . 1 1 68 68 GLU N N 68 114.491 114.491 113.117 1.374 25702 2075 1 4 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.860 -0.119 25702 2076 1 4 . 1 1 68 68 GLU C C 68 175.660 175.660 174.575 1.085 25702 2077 1 4 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.296 -0.290 25702 2078 1 4 . 1 1 68 68 GLU CB C 68 26.972 26.972 27.475 -0.503 25702 2079 1 4 . 1 1 68 68 GLU H H 68 7.755 7.755 7.848 -0.093 25702 2080 1 4 . 1 1 69 69 VAL N N 69 120.375 120.375 118.528 1.847 25702 2081 1 4 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.283 -0.379 25702 2082 1 4 . 1 1 69 69 VAL C C 69 175.415 175.415 174.491 0.924 25702 2083 1 4 . 1 1 69 69 VAL CA C 69 62.870 62.870 62.020 0.850 25702 2084 1 4 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.262 -1.348 25702 2085 1 4 . 1 1 69 69 VAL H H 69 7.787 7.787 7.871 -0.084 25702 2086 1 4 . 1 1 70 70 SER N N 70 121.558 121.558 123.715 -2.157 25702 2087 1 4 . 1 1 70 70 SER HA H 70 4.488 4.488 4.567 -0.079 25702 2088 1 4 . 1 1 70 70 SER C C 70 172.616 172.616 174.671 -2.055 25702 2089 1 4 . 1 1 70 70 SER CA C 70 57.728 57.728 57.665 0.063 25702 2090 1 4 . 1 1 70 70 SER CB C 70 64.713 64.713 63.863 0.850 25702 2091 1 4 . 1 1 70 70 SER H H 70 8.565 8.565 8.690 -0.125 25702 2092 1 4 . 1 1 71 71 ALA N N 71 125.848 125.848 125.136 0.712 25702 2093 1 4 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.498 0.081 25702 2094 1 4 . 1 1 71 71 ALA C C 71 175.531 175.531 176.484 -0.953 25702 2095 1 4 . 1 1 71 71 ALA CA C 71 51.492 51.492 52.308 -0.816 25702 2096 1 4 . 1 1 71 71 ALA CB C 71 21.362 21.362 19.968 1.394 25702 2097 1 4 . 1 1 71 71 ALA H H 71 7.861 7.861 8.117 -0.256 25702 2098 1 4 . 1 1 72 72 MET N N 72 118.991 118.991 120.990 -1.999 25702 2099 1 4 . 1 1 72 72 MET HA H 72 4.879 4.879 4.857 0.022 25702 2100 1 4 . 1 1 72 72 MET CA C 72 51.907 51.907 51.552 0.355 25702 2101 1 4 . 1 1 72 72 MET CB C 72 35.595 35.595 33.644 1.951 25702 2102 1 4 . 1 1 72 72 MET H H 72 8.553 8.553 8.441 0.112 25702 2103 1 4 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.697 0.309 25702 2104 1 4 . 1 1 73 73 PRO C C 73 176.015 176.015 175.546 0.469 25702 2105 1 4 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.110 0.919 25702 2106 1 4 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.177 1.188 25702 2107 1 4 . 1 1 74 74 THR N N 74 114.577 114.577 115.460 -0.883 25702 2108 1 4 . 1 1 74 74 THR HA H 74 5.013 5.013 5.062 -0.049 25702 2109 1 4 . 1 1 74 74 THR C C 74 171.538 171.538 173.350 -1.812 25702 2110 1 4 . 1 1 74 74 THR CA C 74 63.556 63.556 62.188 1.368 25702 2111 1 4 . 1 1 74 74 THR CB C 74 73.238 73.238 72.305 0.933 25702 2112 1 4 . 1 1 74 74 THR H H 74 7.772 7.772 9.143 -1.371 25702 2113 1 4 . 1 1 75 75 LEU N N 75 131.086 131.086 126.309 4.777 25702 2114 1 4 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.376 0.110 25702 2115 1 4 . 1 1 75 75 LEU C C 75 174.827 174.827 175.414 -0.587 25702 2116 1 4 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.340 -1.018 25702 2117 1 4 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.008 0.141 25702 2118 1 4 . 1 1 75 75 LEU H H 75 9.517 9.517 9.449 0.068 25702 2119 1 4 . 1 1 76 76 LEU N N 76 123.573 123.573 125.197 -1.624 25702 2120 1 4 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.968 -0.065 25702 2121 1 4 . 1 1 76 76 LEU C C 76 174.229 174.229 175.132 -0.903 25702 2122 1 4 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.962 -0.475 25702 2123 1 4 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.138 0.932 25702 2124 1 4 . 1 1 76 76 LEU H H 76 9.214 9.214 9.216 -0.002 25702 2125 1 4 . 1 1 77 77 LEU N N 77 123.032 123.032 125.213 -2.181 25702 2126 1 4 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.601 -0.353 25702 2127 1 4 . 1 1 77 77 LEU C C 77 174.961 174.961 175.953 -0.992 25702 2128 1 4 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.373 1.355 25702 2129 1 4 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.827 -0.136 25702 2130 1 4 . 1 1 77 77 LEU H H 77 8.189 8.189 9.109 -0.920 25702 2131 1 4 . 1 1 78 78 PHE N N 78 121.929 121.929 122.854 -0.925 25702 2132 1 4 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.874 0.523 25702 2133 1 4 . 1 1 78 78 PHE C C 78 174.427 174.427 174.084 0.343 25702 2134 1 4 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.965 -0.584 25702 2135 1 4 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.153 0.165 25702 2136 1 4 . 1 1 78 78 PHE H H 78 9.748 9.748 9.072 0.676 25702 2137 1 4 . 1 1 79 79 LYS N N 79 117.221 117.221 120.298 -3.077 25702 2138 1 4 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.188 -0.375 25702 2139 1 4 . 1 1 79 79 LYS C C 79 177.709 177.709 176.080 1.629 25702 2140 1 4 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.461 1.961 25702 2141 1 4 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.542 0.728 25702 2142 1 4 . 1 1 79 79 LYS H H 79 8.741 8.741 9.405 -0.664 25702 2143 1 4 . 1 1 80 80 ASN N N 80 125.563 125.563 124.766 0.797 25702 2144 1 4 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.376 -0.071 25702 2145 1 4 . 1 1 80 80 ASN C C 80 175.395 175.395 175.507 -0.112 25702 2146 1 4 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.795 0.674 25702 2147 1 4 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.017 1.654 25702 2148 1 4 . 1 1 80 80 ASN H H 80 8.890 8.890 9.091 -0.201 25702 2149 1 4 . 1 1 81 81 GLY N N 81 102.976 102.976 103.772 -0.796 25702 2150 1 4 . 1 1 81 81 GLY C C 81 173.223 173.223 173.798 -0.575 25702 2151 1 4 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.372 0.273 25702 2152 1 4 . 1 1 81 81 GLY H H 81 8.640 8.640 8.865 -0.225 25702 2153 1 4 . 1 1 82 82 LYS N N 82 119.280 119.280 119.038 0.242 25702 2154 1 4 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.836 -0.113 25702 2155 1 4 . 1 1 82 82 LYS C C 82 174.897 174.897 174.698 0.199 25702 2156 1 4 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.137 0.218 25702 2157 1 4 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.461 -0.134 25702 2158 1 4 . 1 1 82 82 LYS H H 82 7.583 7.583 7.755 -0.172 25702 2159 1 4 . 1 1 83 83 GLU N N 83 125.460 125.460 119.656 5.804 25702 2160 1 4 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.493 0.366 25702 2161 1 4 . 1 1 83 83 GLU C C 83 177.249 177.249 176.950 0.299 25702 2162 1 4 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.856 -0.897 25702 2163 1 4 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.098 0.414 25702 2164 1 4 . 1 1 83 83 GLU H H 83 8.818 8.818 8.677 0.141 25702 2165 1 4 . 1 1 84 84 VAL N N 84 121.989 121.989 113.736 8.253 25702 2166 1 4 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.357 0.065 25702 2167 1 4 . 1 1 84 84 VAL C C 84 175.625 175.625 174.889 0.736 25702 2168 1 4 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.912 -0.829 25702 2169 1 4 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.325 -1.234 25702 2170 1 4 . 1 1 84 84 VAL H H 84 9.281 9.281 8.077 1.204 25702 2171 1 4 . 1 1 85 85 ALA N N 85 121.284 121.284 122.472 -1.188 25702 2172 1 4 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.617 -0.218 25702 2173 1 4 . 1 1 85 85 ALA C C 85 173.805 173.805 174.551 -0.746 25702 2174 1 4 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.167 0.489 25702 2175 1 4 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.242 0.745 25702 2176 1 4 . 1 1 85 85 ALA H H 85 7.564 7.564 7.515 0.049 25702 2177 1 4 . 1 1 86 86 LYS N N 86 119.558 119.558 120.413 -0.855 25702 2178 1 4 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.413 -0.467 25702 2179 1 4 . 1 1 86 86 LYS C C 86 174.999 174.999 174.681 0.318 25702 2180 1 4 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.189 0.150 25702 2181 1 4 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.499 0.106 25702 2182 1 4 . 1 1 86 86 LYS H H 86 8.000 8.000 8.201 -0.201 25702 2183 1 4 . 1 1 87 87 VAL N N 87 126.118 126.118 123.398 2.720 25702 2184 1 4 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.453 0.250 25702 2185 1 4 . 1 1 87 87 VAL C C 87 174.516 174.516 175.171 -0.655 25702 2186 1 4 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.545 -0.166 25702 2187 1 4 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.651 -1.464 25702 2188 1 4 . 1 1 87 87 VAL H H 87 9.198 9.198 9.216 -0.018 25702 2189 1 4 . 1 1 88 88 VAL N N 88 128.549 128.549 121.416 7.133 25702 2190 1 4 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.754 -0.300 25702 2191 1 4 . 1 1 88 88 VAL C C 88 176.142 176.142 175.246 0.896 25702 2192 1 4 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.209 0.773 25702 2193 1 4 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.544 2.097 25702 2194 1 4 . 1 1 88 88 VAL H H 88 9.031 9.031 8.503 0.528 25702 2195 1 4 . 1 1 89 89 GLY N N 89 114.516 114.516 108.277 6.239 25702 2196 1 4 . 1 1 89 89 GLY C C 89 173.063 173.063 173.272 -0.209 25702 2197 1 4 . 1 1 89 89 GLY CA C 89 43.506 43.506 44.994 -1.488 25702 2198 1 4 . 1 1 89 89 GLY H H 89 8.379 8.379 7.367 1.012 25702 2199 1 4 . 1 1 90 90 ALA N N 90 122.292 122.292 124.167 -1.875 25702 2200 1 4 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.202 -0.007 25702 2201 1 4 . 1 1 90 90 ALA C C 90 174.897 174.897 176.840 -1.943 25702 2202 1 4 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.789 -2.350 25702 2203 1 4 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.863 -0.983 25702 2204 1 4 . 1 1 90 90 ALA H H 90 8.592 8.592 8.528 0.064 25702 2205 1 4 . 1 1 91 91 ASN N N 91 120.220 120.220 124.383 -4.163 25702 2206 1 4 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.043 0.068 25702 2207 1 4 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.538 0.475 25702 2208 1 4 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.366 -0.388 25702 2209 1 4 . 1 1 91 91 ASN H H 91 7.386 7.386 8.606 -1.220 25702 2210 1 4 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.174 -0.146 25702 2211 1 4 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.472 -4.375 25702 2212 1 4 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.334 -0.239 25702 2213 1 4 . 1 1 93 93 ALA C C 93 180.205 180.205 179.664 0.541 25702 2214 1 4 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.515 0.651 25702 2215 1 4 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.110 -0.129 25702 2216 1 4 . 1 1 94 94 ALA N N 94 120.499 120.499 122.682 -2.183 25702 2217 1 4 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.171 -0.110 25702 2218 1 4 . 1 1 94 94 ALA C C 94 180.917 180.917 179.976 0.941 25702 2219 1 4 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.972 -0.712 25702 2220 1 4 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.382 0.416 25702 2221 1 4 . 1 1 94 94 ALA H H 94 7.223 7.223 8.399 -1.176 25702 2222 1 4 . 1 1 95 95 ILE N N 95 119.397 119.397 116.941 2.456 25702 2223 1 4 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.764 -0.412 25702 2224 1 4 . 1 1 95 95 ILE C C 95 176.217 176.217 177.411 -1.194 25702 2225 1 4 . 1 1 95 95 ILE CA C 95 65.953 65.953 61.945 4.008 25702 2226 1 4 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.698 1.682 25702 2227 1 4 . 1 1 95 95 ILE H H 95 7.772 7.772 8.658 -0.886 25702 2228 1 4 . 1 1 96 96 LYS N N 96 118.919 118.919 121.407 -2.488 25702 2229 1 4 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.816 -0.799 25702 2230 1 4 . 1 1 96 96 LYS C C 96 177.824 177.824 179.465 -1.641 25702 2231 1 4 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.393 1.233 25702 2232 1 4 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.129 0.036 25702 2233 1 4 . 1 1 96 96 LYS H H 96 8.112 8.112 7.395 0.717 25702 2234 1 4 . 1 1 97 97 GLN N N 97 115.480 115.480 118.628 -3.148 25702 2235 1 4 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.025 -0.173 25702 2236 1 4 . 1 1 97 97 GLN C C 97 178.014 178.014 177.689 0.325 25702 2237 1 4 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.120 0.463 25702 2238 1 4 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.079 0.265 25702 2239 1 4 . 1 1 97 97 GLN H H 97 7.686 7.686 8.223 -0.537 25702 2240 1 4 . 1 1 98 98 ALA N N 98 120.911 120.911 122.901 -1.990 25702 2241 1 4 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.977 -0.047 25702 2242 1 4 . 1 1 98 98 ALA C C 98 179.544 179.544 179.990 -0.446 25702 2243 1 4 . 1 1 98 98 ALA CA C 98 54.749 54.749 54.901 -0.152 25702 2244 1 4 . 1 1 98 98 ALA CB C 98 17.915 17.915 17.918 -0.003 25702 2245 1 4 . 1 1 98 98 ALA H H 98 7.446 7.446 7.361 0.085 25702 2246 1 4 . 1 1 99 99 ILE N N 99 117.780 117.780 119.062 -1.282 25702 2247 1 4 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.975 -0.928 25702 2248 1 4 . 1 1 99 99 ILE C C 99 177.087 177.087 178.220 -1.133 25702 2249 1 4 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.330 3.129 25702 2250 1 4 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.718 2.413 25702 2251 1 4 . 1 1 99 99 ILE H H 99 7.735 7.735 8.140 -0.405 25702 2252 1 4 . 1 1 100 100 ALA N N 100 119.516 119.516 120.913 -1.397 25702 2253 1 4 . 1 1 100 100 ALA C C 100 180.431 180.431 178.215 2.216 25702 2254 1 4 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.763 1.482 25702 2255 1 4 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.227 0.066 25702 2256 1 4 . 1 1 100 100 ALA H H 100 8.214 8.214 7.269 0.945 25702 2257 1 4 . 1 1 101 101 ALA N N 101 115.674 115.674 122.057 -6.383 25702 2258 1 4 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.148 -0.078 25702 2259 1 4 . 1 1 101 101 ALA C C 101 178.213 178.213 178.973 -0.760 25702 2260 1 4 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.538 0.346 25702 2261 1 4 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.569 -0.526 25702 2262 1 4 . 1 1 101 101 ALA H H 101 7.619 7.619 8.242 -0.623 25702 2263 1 4 . 1 1 102 102 ASN N N 102 115.986 115.986 115.350 0.636 25702 2264 1 4 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.570 0.214 25702 2265 1 4 . 1 1 102 102 ASN C C 102 172.740 172.740 175.804 -3.064 25702 2266 1 4 . 1 1 102 102 ASN CA C 102 54.300 54.300 53.703 0.597 25702 2267 1 4 . 1 1 102 102 ASN CB C 102 42.889 42.889 38.851 4.038 25702 2268 1 4 . 1 1 102 102 ASN H H 102 7.116 7.116 8.209 -1.093 25702 2269 1 5 . 1 1 2 2 VAL N N 2 125.020 125.020 120.456 4.564 25702 2270 1 5 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.286 -0.208 25702 2271 1 5 . 1 1 2 2 VAL C C 2 175.261 175.261 175.836 -0.575 25702 2272 1 5 . 1 1 2 2 VAL CA C 2 61.049 61.049 60.714 0.335 25702 2273 1 5 . 1 1 2 2 VAL CB C 2 32.667 32.667 34.185 -1.518 25702 2274 1 5 . 1 1 2 2 VAL H H 2 8.590 8.590 8.164 0.426 25702 2275 1 5 . 1 1 3 3 THR N N 3 125.759 125.759 122.023 3.736 25702 2276 1 5 . 1 1 3 3 THR HA H 3 4.138 4.138 4.374 -0.236 25702 2277 1 5 . 1 1 3 3 THR C C 3 173.129 173.129 173.698 -0.569 25702 2278 1 5 . 1 1 3 3 THR CA C 3 62.804 62.804 62.899 -0.095 25702 2279 1 5 . 1 1 3 3 THR CB C 3 69.547 69.547 69.848 -0.301 25702 2280 1 5 . 1 1 3 3 THR H H 3 7.778 7.778 8.476 -0.698 25702 2281 1 5 . 1 1 4 4 GLN N N 4 127.746 127.746 125.078 2.668 25702 2282 1 5 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.628 0.111 25702 2283 1 5 . 1 1 4 4 GLN C C 4 176.754 176.754 175.866 0.888 25702 2284 1 5 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.489 -1.054 25702 2285 1 5 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.229 0.301 25702 2286 1 5 . 1 1 4 4 GLN H H 4 8.975 8.975 8.558 0.417 25702 2287 1 5 . 1 1 5 5 PHE N N 5 126.242 126.242 127.009 -0.767 25702 2288 1 5 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.412 0.405 25702 2289 1 5 . 1 1 5 5 PHE C C 5 176.102 176.102 176.072 0.030 25702 2290 1 5 . 1 1 5 5 PHE CA C 5 58.528 58.528 57.882 0.646 25702 2291 1 5 . 1 1 5 5 PHE CB C 5 40.520 40.520 39.829 0.691 25702 2292 1 5 . 1 1 5 5 PHE H H 5 8.422 8.422 8.788 -0.366 25702 2293 1 5 . 1 1 6 6 LYS N N 6 119.482 119.482 117.370 2.112 25702 2294 1 5 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.550 0.071 25702 2295 1 5 . 1 1 6 6 LYS C C 6 176.994 176.994 175.915 1.079 25702 2296 1 5 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.318 -0.303 25702 2297 1 5 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.054 0.077 25702 2298 1 5 . 1 1 6 6 LYS H H 6 9.822 9.822 8.545 1.277 25702 2299 1 5 . 1 1 7 7 THR N N 7 107.464 107.464 109.315 -1.851 25702 2300 1 5 . 1 1 7 7 THR HA H 7 4.597 4.597 4.558 0.039 25702 2301 1 5 . 1 1 7 7 THR C C 7 173.921 173.921 174.072 -0.151 25702 2302 1 5 . 1 1 7 7 THR CA C 7 59.155 59.155 59.721 -0.566 25702 2303 1 5 . 1 1 7 7 THR CB C 7 72.660 72.660 71.694 0.966 25702 2304 1 5 . 1 1 7 7 THR H H 7 7.484 7.484 7.314 0.170 25702 2305 1 5 . 1 1 8 8 ALA N N 8 123.987 123.987 122.578 1.409 25702 2306 1 5 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.009 -0.300 25702 2307 1 5 . 1 1 8 8 ALA C C 8 179.409 179.409 179.042 0.367 25702 2308 1 5 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.872 0.130 25702 2309 1 5 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.293 -0.203 25702 2310 1 5 . 1 1 8 8 ALA H H 8 9.031 9.031 8.777 0.254 25702 2311 1 5 . 1 1 9 9 SER N N 9 112.387 112.387 115.260 -2.873 25702 2312 1 5 . 1 1 9 9 SER HA H 9 4.127 4.127 3.967 0.160 25702 2313 1 5 . 1 1 9 9 SER C C 9 177.070 177.070 176.880 0.190 25702 2314 1 5 . 1 1 9 9 SER CA C 9 61.109 61.109 62.342 -1.233 25702 2315 1 5 . 1 1 9 9 SER CB C 9 62.226 62.226 62.681 -0.455 25702 2316 1 5 . 1 1 9 9 SER H H 9 8.161 8.161 7.742 0.419 25702 2317 1 5 . 1 1 10 10 GLU N N 10 121.941 121.941 121.720 0.221 25702 2318 1 5 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.881 -0.030 25702 2319 1 5 . 1 1 10 10 GLU C C 10 178.776 178.776 178.009 0.767 25702 2320 1 5 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.230 -0.547 25702 2321 1 5 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.086 1.918 25702 2322 1 5 . 1 1 10 10 GLU H H 10 7.522 7.522 7.470 0.052 25702 2323 1 5 . 1 1 11 11 PHE N N 11 120.541 120.541 119.546 0.995 25702 2324 1 5 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.895 -0.049 25702 2325 1 5 . 1 1 11 11 PHE C C 11 174.944 174.944 176.935 -1.991 25702 2326 1 5 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.723 -0.016 25702 2327 1 5 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.761 -1.023 25702 2328 1 5 . 1 1 11 11 PHE H H 11 6.624 6.624 7.128 -0.504 25702 2329 1 5 . 1 1 12 12 ASP N N 12 117.847 117.847 118.303 -0.456 25702 2330 1 5 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.135 -0.304 25702 2331 1 5 . 1 1 12 12 ASP C C 12 178.767 178.767 178.582 0.185 25702 2332 1 5 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.380 -0.163 25702 2333 1 5 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.744 -0.445 25702 2334 1 5 . 1 1 12 12 ASP H H 12 7.637 7.637 8.202 -0.565 25702 2335 1 5 . 1 1 13 13 SER N N 13 111.904 111.904 115.269 -3.365 25702 2336 1 5 . 1 1 13 13 SER HA H 13 4.034 4.034 4.107 -0.073 25702 2337 1 5 . 1 1 13 13 SER C C 13 176.341 176.341 176.965 -0.624 25702 2338 1 5 . 1 1 13 13 SER CA C 13 60.857 60.857 61.251 -0.394 25702 2339 1 5 . 1 1 13 13 SER CB C 13 63.144 63.144 63.056 0.088 25702 2340 1 5 . 1 1 13 13 SER H H 13 7.539 7.539 8.123 -0.584 25702 2341 1 5 . 1 1 14 14 ALA N N 14 123.793 123.793 123.981 -0.188 25702 2342 1 5 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.948 0.079 25702 2343 1 5 . 1 1 14 14 ALA C C 14 180.358 180.358 179.554 0.804 25702 2344 1 5 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.579 0.261 25702 2345 1 5 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.073 0.753 25702 2346 1 5 . 1 1 14 14 ALA H H 14 7.647 7.647 7.778 -0.131 25702 2347 1 5 . 1 1 15 15 ILE N N 15 106.782 106.782 117.614 -10.832 25702 2348 1 5 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.676 0.044 25702 2349 1 5 . 1 1 15 15 ILE C C 15 176.012 176.012 177.519 -1.507 25702 2350 1 5 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.935 1.560 25702 2351 1 5 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.167 1.628 25702 2352 1 5 . 1 1 15 15 ILE H H 15 7.146 7.146 7.781 -0.635 25702 2353 1 5 . 1 1 16 16 ALA N N 16 122.248 122.248 118.843 3.405 25702 2354 1 5 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.322 -0.291 25702 2355 1 5 . 1 1 16 16 ALA C C 16 177.072 177.072 176.851 0.221 25702 2356 1 5 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.504 0.246 25702 2357 1 5 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.406 -0.036 25702 2358 1 5 . 1 1 16 16 ALA H H 16 6.627 6.627 7.301 -0.674 25702 2359 1 5 . 1 1 17 17 GLN N N 17 115.254 115.254 118.382 -3.128 25702 2360 1 5 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.318 -0.099 25702 2361 1 5 . 1 1 17 17 GLN CA C 17 55.898 55.898 54.991 0.907 25702 2362 1 5 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.928 4.036 25702 2363 1 5 . 1 1 17 17 GLN H H 17 7.136 7.136 7.393 -0.257 25702 2364 1 5 . 1 1 18 18 ASP N N 18 122.840 122.840 120.752 2.088 25702 2365 1 5 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.609 -0.077 25702 2366 1 5 . 1 1 18 18 ASP C C 18 175.348 175.348 175.331 0.017 25702 2367 1 5 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.418 0.092 25702 2368 1 5 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.515 -0.465 25702 2369 1 5 . 1 1 18 18 ASP H H 18 8.644 8.644 8.560 0.084 25702 2370 1 5 . 1 1 19 19 LYS N N 19 118.503 118.503 114.701 3.802 25702 2371 1 5 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.454 -0.071 25702 2372 1 5 . 1 1 19 19 LYS C C 19 173.289 173.289 174.382 -1.093 25702 2373 1 5 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.397 0.325 25702 2374 1 5 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.200 0.016 25702 2375 1 5 . 1 1 19 19 LYS H H 19 7.939 7.939 7.239 0.700 25702 2376 1 5 . 1 1 20 20 LEU N N 20 120.813 120.813 123.626 -2.813 25702 2377 1 5 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.751 -0.042 25702 2378 1 5 . 1 1 20 20 LEU C C 20 174.429 174.429 176.051 -1.622 25702 2379 1 5 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.817 0.970 25702 2380 1 5 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.767 -0.206 25702 2381 1 5 . 1 1 20 20 LEU H H 20 8.625 8.625 8.705 -0.080 25702 2382 1 5 . 1 1 21 21 VAL N N 21 128.813 128.813 127.336 1.477 25702 2383 1 5 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.404 -0.139 25702 2384 1 5 . 1 1 21 21 VAL C C 21 174.618 174.618 174.992 -0.374 25702 2385 1 5 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.839 -0.256 25702 2386 1 5 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.015 2.562 25702 2387 1 5 . 1 1 21 21 VAL H H 21 9.251 9.251 9.225 0.026 25702 2388 1 5 . 1 1 22 22 VAL N N 22 130.243 130.243 129.062 1.181 25702 2389 1 5 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.275 -0.012 25702 2390 1 5 . 1 1 22 22 VAL C C 22 174.802 174.802 174.690 0.112 25702 2391 1 5 . 1 1 22 22 VAL CA C 22 61.642 61.642 62.020 -0.378 25702 2392 1 5 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.835 0.989 25702 2393 1 5 . 1 1 22 22 VAL H H 22 8.969 8.969 9.180 -0.211 25702 2394 1 5 . 1 1 23 23 VAL N N 23 125.526 125.526 128.521 -2.995 25702 2395 1 5 . 1 1 23 23 VAL HA H 23 4.652 4.652 5.055 -0.403 25702 2396 1 5 . 1 1 23 23 VAL C C 23 174.086 174.086 174.886 -0.800 25702 2397 1 5 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.366 1.417 25702 2398 1 5 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.361 1.063 25702 2399 1 5 . 1 1 23 23 VAL H H 23 9.555 9.555 8.768 0.787 25702 2400 1 5 . 1 1 24 24 ALA N N 24 130.468 130.468 131.404 -0.936 25702 2401 1 5 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.966 0.037 25702 2402 1 5 . 1 1 24 24 ALA C C 24 175.093 175.093 175.829 -0.736 25702 2403 1 5 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.664 0.445 25702 2404 1 5 . 1 1 24 24 ALA CB C 24 19.543 19.543 20.389 -0.846 25702 2405 1 5 . 1 1 24 24 ALA H H 24 9.004 9.004 9.371 -0.367 25702 2406 1 5 . 1 1 25 25 PHE N N 25 124.289 124.289 126.552 -2.263 25702 2407 1 5 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.594 -0.575 25702 2408 1 5 . 1 1 25 25 PHE C C 25 174.794 174.794 174.625 0.169 25702 2409 1 5 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.758 1.861 25702 2410 1 5 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.262 -1.497 25702 2411 1 5 . 1 1 25 25 PHE H H 25 9.455 9.455 9.282 0.173 25702 2412 1 5 . 1 1 26 26 TYR N N 26 120.967 120.967 120.702 0.265 25702 2413 1 5 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.909 0.443 25702 2414 1 5 . 1 1 26 26 TYR C C 26 171.352 171.352 172.767 -1.415 25702 2415 1 5 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.889 -1.058 25702 2416 1 5 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.776 2.158 25702 2417 1 5 . 1 1 26 26 TYR H H 26 8.908 8.908 8.336 0.572 25702 2418 1 5 . 1 1 27 27 ALA N N 27 119.133 119.133 123.227 -4.094 25702 2419 1 5 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.441 -0.882 25702 2420 1 5 . 1 1 27 27 ALA C C 27 179.092 179.092 178.827 0.265 25702 2421 1 5 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.090 1.063 25702 2422 1 5 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.454 1.496 25702 2423 1 5 . 1 1 27 27 ALA H H 27 6.962 6.962 8.483 -1.521 25702 2424 1 5 . 1 1 28 28 THR N N 28 116.784 116.784 118.103 -1.319 25702 2425 1 5 . 1 1 28 28 THR HA H 28 3.867 3.867 4.179 -0.312 25702 2426 1 5 . 1 1 28 28 THR C C 28 174.957 174.957 175.441 -0.484 25702 2427 1 5 . 1 1 28 28 THR CA C 28 64.820 64.820 64.656 0.164 25702 2428 1 5 . 1 1 28 28 THR CB C 28 69.197 69.197 68.956 0.241 25702 2429 1 5 . 1 1 28 28 THR H H 28 10.053 10.053 9.329 0.724 25702 2430 1 5 . 1 1 29 29 TRP N N 29 114.763 114.763 118.545 -3.782 25702 2431 1 5 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.749 -0.227 25702 2432 1 5 . 1 1 29 29 TRP C C 29 175.478 175.478 176.092 -0.614 25702 2433 1 5 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.588 -2.083 25702 2434 1 5 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.544 0.800 25702 2435 1 5 . 1 1 29 29 TRP H H 29 6.495 6.495 7.561 -1.066 25702 2436 1 5 . 1 1 30 30 CYS N N 30 122.729 122.729 121.263 1.466 25702 2437 1 5 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.264 0.227 25702 2438 1 5 . 1 1 30 30 CYS CA C 30 58.502 58.502 59.455 -0.953 25702 2439 1 5 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.483 -1.835 25702 2440 1 5 . 1 1 30 30 CYS H H 30 6.484 6.484 7.150 -0.666 25702 2441 1 5 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.171 -0.211 25702 2442 1 5 . 1 1 33 33 CYS C C 33 176.605 176.605 175.761 0.844 25702 2443 1 5 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.121 2.442 25702 2444 1 5 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.256 0.971 25702 2445 1 5 . 1 1 34 34 LYS N N 34 120.638 120.638 119.449 1.189 25702 2446 1 5 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.921 0.001 25702 2447 1 5 . 1 1 34 34 LYS C C 34 178.623 178.623 177.262 1.361 25702 2448 1 5 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.057 1.065 25702 2449 1 5 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.314 0.873 25702 2450 1 5 . 1 1 34 34 LYS H H 34 7.828 7.828 7.322 0.505 25702 2451 1 5 . 1 1 35 35 MET N N 35 115.754 115.754 118.679 -2.925 25702 2452 1 5 . 1 1 35 35 MET HA H 35 4.230 4.230 4.319 -0.089 25702 2453 1 5 . 1 1 35 35 MET C C 35 177.927 177.927 177.042 0.885 25702 2454 1 5 . 1 1 35 35 MET CA C 35 56.931 56.931 57.426 -0.495 25702 2455 1 5 . 1 1 35 35 MET CB C 35 32.038 32.038 33.721 -1.683 25702 2456 1 5 . 1 1 35 35 MET H H 35 7.612 7.612 7.493 0.119 25702 2457 1 5 . 1 1 36 36 ILE N N 36 114.905 114.905 119.847 -4.942 25702 2458 1 5 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.819 0.433 25702 2459 1 5 . 1 1 36 36 ILE C C 36 176.681 176.681 177.150 -0.469 25702 2460 1 5 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.954 -1.811 25702 2461 1 5 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.201 1.684 25702 2462 1 5 . 1 1 36 36 ILE H H 36 7.399 7.399 7.492 -0.093 25702 2463 1 5 . 1 1 37 37 ALA N N 37 125.154 125.154 123.443 1.711 25702 2464 1 5 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.902 0.177 25702 2465 1 5 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.913 0.157 25702 2466 1 5 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.011 -0.553 25702 2467 1 5 . 1 1 37 37 ALA H H 37 7.587 7.587 7.379 0.208 25702 2468 1 5 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.215 0.024 25702 2469 1 5 . 1 1 38 38 PRO C C 38 179.456 179.456 177.991 1.465 25702 2470 1 5 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.954 0.233 25702 2471 1 5 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.580 -0.817 25702 2472 1 5 . 1 1 39 39 MET N N 39 117.231 117.231 118.016 -0.785 25702 2473 1 5 . 1 1 39 39 MET HA H 39 3.854 3.854 3.883 -0.029 25702 2474 1 5 . 1 1 39 39 MET C C 39 177.388 177.388 177.311 0.077 25702 2475 1 5 . 1 1 39 39 MET CA C 39 57.916 57.916 58.904 -0.988 25702 2476 1 5 . 1 1 39 39 MET CB C 39 32.238 32.238 32.403 -0.165 25702 2477 1 5 . 1 1 39 39 MET H H 39 7.051 7.051 7.585 -0.534 25702 2478 1 5 . 1 1 40 40 ILE N N 40 117.419 117.419 118.875 -1.456 25702 2479 1 5 . 1 1 40 40 ILE HA H 40 3.675 3.675 2.980 0.695 25702 2480 1 5 . 1 1 40 40 ILE C C 40 177.699 177.699 177.399 0.300 25702 2481 1 5 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.374 -0.705 25702 2482 1 5 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.005 -2.234 25702 2483 1 5 . 1 1 40 40 ILE H H 40 7.825 7.825 7.262 0.563 25702 2484 1 5 . 1 1 41 41 GLU N N 41 119.014 119.014 119.230 -0.216 25702 2485 1 5 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.817 -0.231 25702 2486 1 5 . 1 1 41 41 GLU C C 41 180.065 180.065 178.343 1.722 25702 2487 1 5 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.009 0.398 25702 2488 1 5 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.290 -0.816 25702 2489 1 5 . 1 1 41 41 GLU H H 41 7.475 7.475 7.515 -0.040 25702 2490 1 5 . 1 1 42 42 LYS N N 42 120.988 120.988 119.631 1.357 25702 2491 1 5 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.959 -0.042 25702 2492 1 5 . 1 1 42 42 LYS C C 42 179.895 179.895 178.792 1.103 25702 2493 1 5 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.807 0.227 25702 2494 1 5 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.058 -1.213 25702 2495 1 5 . 1 1 42 42 LYS H H 42 7.402 7.402 7.487 -0.085 25702 2496 1 5 . 1 1 43 43 PHE N N 43 118.946 118.946 118.409 0.537 25702 2497 1 5 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.927 -0.763 25702 2498 1 5 . 1 1 43 43 PHE C C 43 177.806 177.806 177.380 0.426 25702 2499 1 5 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.228 0.794 25702 2500 1 5 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.214 -0.794 25702 2501 1 5 . 1 1 43 43 PHE H H 43 8.270 8.270 7.393 0.877 25702 2502 1 5 . 1 1 44 44 SER N N 44 116.035 116.035 112.176 3.859 25702 2503 1 5 . 1 1 44 44 SER HA H 44 2.873 2.873 4.364 -1.491 25702 2504 1 5 . 1 1 44 44 SER C C 44 175.522 175.522 176.069 -0.547 25702 2505 1 5 . 1 1 44 44 SER CA C 44 60.173 60.173 59.855 0.318 25702 2506 1 5 . 1 1 44 44 SER CB C 44 61.911 61.911 63.145 -1.234 25702 2507 1 5 . 1 1 44 44 SER H H 44 7.763 7.763 7.698 0.065 25702 2508 1 5 . 1 1 45 45 GLU N N 45 120.563 120.563 121.471 -0.908 25702 2509 1 5 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.983 0.076 25702 2510 1 5 . 1 1 45 45 GLU C C 45 177.798 177.798 177.623 0.175 25702 2511 1 5 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.921 -1.618 25702 2512 1 5 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.670 -0.033 25702 2513 1 5 . 1 1 45 45 GLU H H 45 6.888 6.888 7.730 -0.842 25702 2514 1 5 . 1 1 46 46 GLN N N 46 118.400 118.400 116.782 1.618 25702 2515 1 5 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.162 -0.235 25702 2516 1 5 . 1 1 46 46 GLN C C 46 175.422 175.422 176.535 -1.113 25702 2517 1 5 . 1 1 46 46 GLN CA C 46 57.033 57.033 56.983 0.050 25702 2518 1 5 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.217 -0.527 25702 2519 1 5 . 1 1 46 46 GLN H H 46 7.451 7.451 7.424 0.027 25702 2520 1 5 . 1 1 47 47 TYR N N 47 115.979 115.979 115.712 0.267 25702 2521 1 5 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.101 -0.118 25702 2522 1 5 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.820 2.264 25702 2523 1 5 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.073 0.001 25702 2524 1 5 . 1 1 47 47 TYR H H 47 7.433 7.433 7.488 -0.055 25702 2525 1 5 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.603 0.108 25702 2526 1 5 . 1 1 48 48 PRO C C 48 177.453 177.453 177.097 0.356 25702 2527 1 5 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.035 0.259 25702 2528 1 5 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.106 -0.236 25702 2529 1 5 . 1 1 49 49 GLN N N 49 119.035 119.035 116.154 2.881 25702 2530 1 5 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.207 0.153 25702 2531 1 5 . 1 1 49 49 GLN C C 49 174.990 174.990 175.507 -0.517 25702 2532 1 5 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.811 -0.351 25702 2533 1 5 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.524 0.255 25702 2534 1 5 . 1 1 49 49 GLN H H 49 9.617 9.617 8.514 1.103 25702 2535 1 5 . 1 1 50 50 ALA N N 50 127.008 127.008 121.982 5.026 25702 2536 1 5 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.535 0.512 25702 2537 1 5 . 1 1 50 50 ALA C C 50 175.173 175.173 176.316 -1.143 25702 2538 1 5 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.485 -0.436 25702 2539 1 5 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.126 1.040 25702 2540 1 5 . 1 1 50 50 ALA H H 50 8.170 8.170 7.465 0.705 25702 2541 1 5 . 1 1 51 51 ASP N N 51 120.039 120.039 121.179 -1.140 25702 2542 1 5 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.398 0.707 25702 2543 1 5 . 1 1 51 51 ASP C C 51 174.707 174.707 174.835 -0.128 25702 2544 1 5 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.598 -0.594 25702 2545 1 5 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.380 1.893 25702 2546 1 5 . 1 1 51 51 ASP H H 51 8.411 8.411 8.308 0.103 25702 2547 1 5 . 1 1 52 52 PHE N N 52 120.670 120.670 120.287 0.383 25702 2548 1 5 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.175 0.004 25702 2549 1 5 . 1 1 52 52 PHE C C 52 174.633 174.633 174.113 0.520 25702 2550 1 5 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.369 1.343 25702 2551 1 5 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.215 2.659 25702 2552 1 5 . 1 1 52 52 PHE H H 52 8.943 8.943 7.275 1.668 25702 2553 1 5 . 1 1 53 53 TYR N N 53 120.949 120.949 122.815 -1.866 25702 2554 1 5 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.485 -0.008 25702 2555 1 5 . 1 1 53 53 TYR C C 53 174.507 174.507 174.299 0.208 25702 2556 1 5 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.582 -0.869 25702 2557 1 5 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.734 3.108 25702 2558 1 5 . 1 1 53 53 TYR H H 53 9.336 9.336 9.128 0.208 25702 2559 1 5 . 1 1 54 54 LYS N N 54 115.771 115.771 118.768 -2.997 25702 2560 1 5 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.483 0.016 25702 2561 1 5 . 1 1 54 54 LYS C C 54 173.200 173.200 173.586 -0.386 25702 2562 1 5 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.959 -1.464 25702 2563 1 5 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.525 -1.569 25702 2564 1 5 . 1 1 54 54 LYS H H 54 8.451 8.451 9.038 -0.587 25702 2565 1 5 . 1 1 55 55 LEU N N 55 123.037 123.037 119.507 3.530 25702 2566 1 5 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.541 -0.070 25702 2567 1 5 . 1 1 55 55 LEU C C 55 172.053 172.053 173.055 -1.002 25702 2568 1 5 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.273 1.113 25702 2569 1 5 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.227 -0.414 25702 2570 1 5 . 1 1 55 55 LEU H H 55 8.783 8.783 8.539 0.244 25702 2571 1 5 . 1 1 56 56 ASP N N 56 126.250 126.250 122.576 3.674 25702 2572 1 5 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.165 -1.008 25702 2573 1 5 . 1 1 56 56 ASP C C 56 178.219 178.219 177.432 0.787 25702 2574 1 5 . 1 1 56 56 ASP CA C 56 52.242 52.242 51.297 0.945 25702 2575 1 5 . 1 1 56 56 ASP CB C 56 40.748 40.748 40.922 -0.174 25702 2576 1 5 . 1 1 56 56 ASP H H 56 8.580 8.580 8.385 0.195 25702 2577 1 5 . 1 1 57 57 VAL N N 57 123.015 123.015 126.883 -3.868 25702 2578 1 5 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.946 -0.529 25702 2579 1 5 . 1 1 57 57 VAL C C 57 175.672 175.672 177.138 -1.466 25702 2580 1 5 . 1 1 57 57 VAL CA C 57 64.696 64.696 65.166 -0.470 25702 2581 1 5 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.609 -0.606 25702 2582 1 5 . 1 1 57 57 VAL H H 57 8.767 8.767 8.520 0.247 25702 2583 1 5 . 1 1 58 58 ASP N N 58 118.536 118.536 118.102 0.434 25702 2584 1 5 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.648 0.047 25702 2585 1 5 . 1 1 58 58 ASP C C 58 177.541 177.541 177.696 -0.155 25702 2586 1 5 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.868 -0.709 25702 2587 1 5 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.444 -0.973 25702 2588 1 5 . 1 1 58 58 ASP H H 58 8.653 8.653 8.216 0.437 25702 2589 1 5 . 1 1 59 59 GLU N N 59 119.610 119.610 118.663 0.947 25702 2590 1 5 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.270 0.083 25702 2591 1 5 . 1 1 59 59 GLU C C 59 177.106 177.106 177.080 0.026 25702 2592 1 5 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.936 -0.567 25702 2593 1 5 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.812 0.888 25702 2594 1 5 . 1 1 59 59 GLU H H 59 7.596 7.596 7.759 -0.163 25702 2595 1 5 . 1 1 60 60 LEU N N 60 121.513 121.513 121.297 0.216 25702 2596 1 5 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.702 0.210 25702 2597 1 5 . 1 1 60 60 LEU C C 60 177.050 177.050 176.650 0.400 25702 2598 1 5 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.601 -1.237 25702 2599 1 5 . 1 1 60 60 LEU CB C 60 41.622 41.622 42.383 -0.761 25702 2600 1 5 . 1 1 60 60 LEU H H 60 7.689 7.689 8.257 -0.568 25702 2601 1 5 . 1 1 61 61 GLY N N 61 111.170 111.170 110.396 0.774 25702 2602 1 5 . 1 1 61 61 GLY C C 61 176.313 176.313 175.427 0.886 25702 2603 1 5 . 1 1 61 61 GLY CA C 61 48.223 48.223 46.985 1.238 25702 2604 1 5 . 1 1 61 61 GLY H H 61 8.218 8.218 8.654 -0.436 25702 2605 1 5 . 1 1 62 62 ASP N N 62 119.711 119.711 120.447 -0.736 25702 2606 1 5 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.389 -0.071 25702 2607 1 5 . 1 1 62 62 ASP C C 62 178.935 178.935 177.893 1.042 25702 2608 1 5 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.317 0.362 25702 2609 1 5 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.364 -1.101 25702 2610 1 5 . 1 1 62 62 ASP H H 62 9.141 9.141 8.504 0.637 25702 2611 1 5 . 1 1 63 63 VAL N N 63 120.511 120.511 119.616 0.895 25702 2612 1 5 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.593 -0.270 25702 2613 1 5 . 1 1 63 63 VAL C C 63 179.266 179.266 177.488 1.778 25702 2614 1 5 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.965 -0.571 25702 2615 1 5 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.808 -0.516 25702 2616 1 5 . 1 1 63 63 VAL H H 63 7.275 7.275 7.697 -0.422 25702 2617 1 5 . 1 1 64 64 ALA N N 64 122.711 122.711 120.864 1.847 25702 2618 1 5 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.929 -0.139 25702 2619 1 5 . 1 1 64 64 ALA C C 64 178.540 178.540 179.714 -1.174 25702 2620 1 5 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.340 0.545 25702 2621 1 5 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.351 -0.534 25702 2622 1 5 . 1 1 64 64 ALA H H 64 7.264 7.264 7.730 -0.466 25702 2623 1 5 . 1 1 65 65 GLN N N 65 117.988 117.988 116.714 1.274 25702 2624 1 5 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.018 0.039 25702 2625 1 5 . 1 1 65 65 GLN C C 65 180.544 180.544 178.295 2.249 25702 2626 1 5 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.944 1.065 25702 2627 1 5 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.912 -0.611 25702 2628 1 5 . 1 1 65 65 GLN H H 65 8.344 8.344 8.045 0.299 25702 2629 1 5 . 1 1 66 66 LYS N N 66 120.050 120.050 118.814 1.236 25702 2630 1 5 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.004 0.050 25702 2631 1 5 . 1 1 66 66 LYS C C 66 176.954 176.954 176.987 -0.033 25702 2632 1 5 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.289 0.528 25702 2633 1 5 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.137 0.042 25702 2634 1 5 . 1 1 66 66 LYS H H 66 7.971 7.971 7.861 0.110 25702 2635 1 5 . 1 1 67 67 ASN N N 67 114.553 114.553 115.361 -0.808 25702 2636 1 5 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.398 0.378 25702 2637 1 5 . 1 1 67 67 ASN C C 67 171.614 171.614 174.602 -2.988 25702 2638 1 5 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.790 1.290 25702 2639 1 5 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.535 1.574 25702 2640 1 5 . 1 1 67 67 ASN H H 67 7.064 7.064 7.304 -0.240 25702 2641 1 5 . 1 1 68 68 GLU N N 68 114.491 114.491 116.371 -1.880 25702 2642 1 5 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.874 -0.134 25702 2643 1 5 . 1 1 68 68 GLU C C 68 175.660 175.660 174.459 1.201 25702 2644 1 5 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.281 -0.274 25702 2645 1 5 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.455 -1.483 25702 2646 1 5 . 1 1 68 68 GLU H H 68 7.755 7.755 7.834 -0.079 25702 2647 1 5 . 1 1 69 69 VAL N N 69 120.375 120.375 119.037 1.338 25702 2648 1 5 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.333 -0.429 25702 2649 1 5 . 1 1 69 69 VAL C C 69 175.415 175.415 174.491 0.924 25702 2650 1 5 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.745 1.125 25702 2651 1 5 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.255 -1.341 25702 2652 1 5 . 1 1 69 69 VAL H H 69 7.787 7.787 8.199 -0.412 25702 2653 1 5 . 1 1 70 70 SER N N 70 121.558 121.558 124.011 -2.453 25702 2654 1 5 . 1 1 70 70 SER HA H 70 4.488 4.488 4.565 -0.077 25702 2655 1 5 . 1 1 70 70 SER C C 70 172.616 172.616 174.942 -2.326 25702 2656 1 5 . 1 1 70 70 SER CA C 70 57.728 57.728 58.610 -0.882 25702 2657 1 5 . 1 1 70 70 SER CB C 70 64.713 64.713 63.835 0.878 25702 2658 1 5 . 1 1 70 70 SER H H 70 8.565 8.565 8.666 -0.101 25702 2659 1 5 . 1 1 71 71 ALA N N 71 125.848 125.848 124.946 0.902 25702 2660 1 5 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.506 0.073 25702 2661 1 5 . 1 1 71 71 ALA C C 71 175.531 175.531 175.970 -0.439 25702 2662 1 5 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.867 -0.375 25702 2663 1 5 . 1 1 71 71 ALA CB C 71 21.362 21.362 19.831 1.531 25702 2664 1 5 . 1 1 71 71 ALA H H 71 7.861 7.861 7.912 -0.051 25702 2665 1 5 . 1 1 72 72 MET N N 72 118.991 118.991 117.541 1.450 25702 2666 1 5 . 1 1 72 72 MET HA H 72 4.879 4.879 5.110 -0.231 25702 2667 1 5 . 1 1 72 72 MET CA C 72 51.907 51.907 52.689 -0.782 25702 2668 1 5 . 1 1 72 72 MET CB C 72 35.595 35.595 35.419 0.176 25702 2669 1 5 . 1 1 72 72 MET H H 72 8.553 8.553 8.276 0.277 25702 2670 1 5 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.847 0.159 25702 2671 1 5 . 1 1 73 73 PRO C C 73 176.015 176.015 176.209 -0.194 25702 2672 1 5 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.439 0.590 25702 2673 1 5 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.268 1.097 25702 2674 1 5 . 1 1 74 74 THR N N 74 114.577 114.577 116.298 -1.721 25702 2675 1 5 . 1 1 74 74 THR HA H 74 5.013 5.013 5.008 0.005 25702 2676 1 5 . 1 1 74 74 THR C C 74 171.538 171.538 173.023 -1.485 25702 2677 1 5 . 1 1 74 74 THR CA C 74 63.556 63.556 61.914 1.642 25702 2678 1 5 . 1 1 74 74 THR CB C 74 73.238 73.238 72.795 0.443 25702 2679 1 5 . 1 1 74 74 THR H H 74 7.772 7.772 9.124 -1.352 25702 2680 1 5 . 1 1 75 75 LEU N N 75 131.086 131.086 125.949 5.137 25702 2681 1 5 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.445 0.041 25702 2682 1 5 . 1 1 75 75 LEU C C 75 174.827 174.827 175.305 -0.478 25702 2683 1 5 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.220 -0.898 25702 2684 1 5 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.297 -0.148 25702 2685 1 5 . 1 1 75 75 LEU H H 75 9.517 9.517 9.419 0.098 25702 2686 1 5 . 1 1 76 76 LEU N N 76 123.573 123.573 124.715 -1.142 25702 2687 1 5 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.859 0.044 25702 2688 1 5 . 1 1 76 76 LEU C C 76 174.229 174.229 175.063 -0.834 25702 2689 1 5 . 1 1 76 76 LEU CA C 76 53.487 53.487 54.006 -0.519 25702 2690 1 5 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.425 0.645 25702 2691 1 5 . 1 1 76 76 LEU H H 76 9.214 9.214 9.141 0.073 25702 2692 1 5 . 1 1 77 77 LEU N N 77 123.032 123.032 125.076 -2.044 25702 2693 1 5 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.596 -0.348 25702 2694 1 5 . 1 1 77 77 LEU C C 77 174.961 174.961 175.929 -0.968 25702 2695 1 5 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.441 1.288 25702 2696 1 5 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.913 -0.222 25702 2697 1 5 . 1 1 77 77 LEU H H 77 8.189 8.189 9.105 -0.916 25702 2698 1 5 . 1 1 78 78 PHE N N 78 121.929 121.929 122.966 -1.037 25702 2699 1 5 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.845 0.552 25702 2700 1 5 . 1 1 78 78 PHE C C 78 174.427 174.427 174.136 0.291 25702 2701 1 5 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.959 -0.578 25702 2702 1 5 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.076 0.242 25702 2703 1 5 . 1 1 78 78 PHE H H 78 9.748 9.748 8.760 0.988 25702 2704 1 5 . 1 1 79 79 LYS N N 79 117.221 117.221 120.184 -2.963 25702 2705 1 5 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.125 -0.312 25702 2706 1 5 . 1 1 79 79 LYS C C 79 177.709 177.709 176.264 1.445 25702 2707 1 5 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.826 1.596 25702 2708 1 5 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.399 0.871 25702 2709 1 5 . 1 1 79 79 LYS H H 79 8.741 8.741 9.211 -0.470 25702 2710 1 5 . 1 1 80 80 ASN N N 80 125.563 125.563 125.833 -0.270 25702 2711 1 5 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.477 -0.172 25702 2712 1 5 . 1 1 80 80 ASN C C 80 175.395 175.395 175.320 0.075 25702 2713 1 5 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.762 0.707 25702 2714 1 5 . 1 1 80 80 ASN CB C 80 37.671 37.671 37.183 0.488 25702 2715 1 5 . 1 1 80 80 ASN H H 80 8.890 8.890 9.048 -0.158 25702 2716 1 5 . 1 1 81 81 GLY N N 81 102.976 102.976 103.828 -0.852 25702 2717 1 5 . 1 1 81 81 GLY C C 81 173.223 173.223 173.611 -0.388 25702 2718 1 5 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.668 -0.023 25702 2719 1 5 . 1 1 81 81 GLY H H 81 8.640 8.640 8.739 -0.099 25702 2720 1 5 . 1 1 82 82 LYS N N 82 119.280 119.280 118.495 0.785 25702 2721 1 5 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.780 -0.057 25702 2722 1 5 . 1 1 82 82 LYS C C 82 174.897 174.897 174.605 0.292 25702 2723 1 5 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.216 0.139 25702 2724 1 5 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.370 -0.043 25702 2725 1 5 . 1 1 82 82 LYS H H 82 7.583 7.583 7.622 -0.039 25702 2726 1 5 . 1 1 83 83 GLU N N 83 125.460 125.460 119.995 5.465 25702 2727 1 5 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.432 0.427 25702 2728 1 5 . 1 1 83 83 GLU C C 83 177.249 177.249 176.947 0.302 25702 2729 1 5 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.680 -0.721 25702 2730 1 5 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.242 0.270 25702 2731 1 5 . 1 1 83 83 GLU H H 83 8.818 8.818 8.727 0.091 25702 2732 1 5 . 1 1 84 84 VAL N N 84 121.989 121.989 115.769 6.220 25702 2733 1 5 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.321 0.102 25702 2734 1 5 . 1 1 84 84 VAL C C 84 175.625 175.625 174.503 1.122 25702 2735 1 5 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.799 -0.716 25702 2736 1 5 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.366 -1.275 25702 2737 1 5 . 1 1 84 84 VAL H H 84 9.281 9.281 8.266 1.015 25702 2738 1 5 . 1 1 85 85 ALA N N 85 121.284 121.284 122.735 -1.451 25702 2739 1 5 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.559 -0.160 25702 2740 1 5 . 1 1 85 85 ALA C C 85 173.805 173.805 174.570 -0.765 25702 2741 1 5 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.065 0.591 25702 2742 1 5 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.482 0.505 25702 2743 1 5 . 1 1 85 85 ALA H H 85 7.564 7.564 7.688 -0.124 25702 2744 1 5 . 1 1 86 86 LYS N N 86 119.558 119.558 120.801 -1.243 25702 2745 1 5 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.342 -0.396 25702 2746 1 5 . 1 1 86 86 LYS C C 86 174.999 174.999 174.656 0.343 25702 2747 1 5 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.141 0.198 25702 2748 1 5 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.165 0.440 25702 2749 1 5 . 1 1 86 86 LYS H H 86 8.000 8.000 8.240 -0.240 25702 2750 1 5 . 1 1 87 87 VAL N N 87 126.118 126.118 123.211 2.907 25702 2751 1 5 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.505 0.198 25702 2752 1 5 . 1 1 87 87 VAL C C 87 174.516 174.516 175.090 -0.574 25702 2753 1 5 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.266 0.113 25702 2754 1 5 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.811 -1.624 25702 2755 1 5 . 1 1 87 87 VAL H H 87 9.198 9.198 9.150 0.048 25702 2756 1 5 . 1 1 88 88 VAL N N 88 128.549 128.549 120.738 7.811 25702 2757 1 5 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.473 -0.019 25702 2758 1 5 . 1 1 88 88 VAL C C 88 176.142 176.142 175.136 1.006 25702 2759 1 5 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.002 0.980 25702 2760 1 5 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.781 1.860 25702 2761 1 5 . 1 1 88 88 VAL H H 88 9.031 9.031 8.555 0.476 25702 2762 1 5 . 1 1 89 89 GLY N N 89 114.516 114.516 108.338 6.178 25702 2763 1 5 . 1 1 89 89 GLY C C 89 173.063 173.063 173.331 -0.268 25702 2764 1 5 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.015 -1.509 25702 2765 1 5 . 1 1 89 89 GLY H H 89 8.379 8.379 7.294 1.085 25702 2766 1 5 . 1 1 90 90 ALA N N 90 122.292 122.292 124.500 -2.208 25702 2767 1 5 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.258 -0.063 25702 2768 1 5 . 1 1 90 90 ALA C C 90 174.897 174.897 176.787 -1.890 25702 2769 1 5 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.628 -2.189 25702 2770 1 5 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.477 -0.596 25702 2771 1 5 . 1 1 90 90 ALA H H 90 8.592 8.592 8.533 0.059 25702 2772 1 5 . 1 1 91 91 ASN N N 91 120.220 120.220 125.152 -4.932 25702 2773 1 5 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.132 -0.021 25702 2774 1 5 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.862 0.150 25702 2775 1 5 . 1 1 91 91 ASN CB C 91 38.978 38.978 40.585 -1.607 25702 2776 1 5 . 1 1 91 91 ASN H H 91 7.386 7.386 8.411 -1.025 25702 2777 1 5 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.267 -0.239 25702 2778 1 5 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.631 -4.534 25702 2779 1 5 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.298 -0.203 25702 2780 1 5 . 1 1 93 93 ALA C C 93 180.205 180.205 179.821 0.384 25702 2781 1 5 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.702 0.464 25702 2782 1 5 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.037 -0.056 25702 2783 1 5 . 1 1 94 94 ALA N N 94 120.499 120.499 121.145 -0.646 25702 2784 1 5 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.153 -0.092 25702 2785 1 5 . 1 1 94 94 ALA C C 94 180.917 180.917 179.412 1.505 25702 2786 1 5 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.481 -0.221 25702 2787 1 5 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.866 -0.068 25702 2788 1 5 . 1 1 94 94 ALA H H 94 7.223 7.223 8.300 -1.077 25702 2789 1 5 . 1 1 95 95 ILE N N 95 119.397 119.397 118.403 0.994 25702 2790 1 5 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.802 -0.450 25702 2791 1 5 . 1 1 95 95 ILE C C 95 176.217 176.217 177.190 -0.973 25702 2792 1 5 . 1 1 95 95 ILE CA C 95 65.953 65.953 62.053 3.900 25702 2793 1 5 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.711 1.669 25702 2794 1 5 . 1 1 95 95 ILE H H 95 7.772 7.772 8.649 -0.877 25702 2795 1 5 . 1 1 96 96 LYS N N 96 118.919 118.919 121.689 -2.770 25702 2796 1 5 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.991 -0.974 25702 2797 1 5 . 1 1 96 96 LYS C C 96 177.824 177.824 179.070 -1.246 25702 2798 1 5 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.673 0.953 25702 2799 1 5 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.378 -0.213 25702 2800 1 5 . 1 1 96 96 LYS H H 96 8.112 8.112 8.127 -0.015 25702 2801 1 5 . 1 1 97 97 GLN N N 97 115.480 115.480 118.384 -2.904 25702 2802 1 5 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.097 -0.245 25702 2803 1 5 . 1 1 97 97 GLN C C 97 178.014 178.014 177.749 0.265 25702 2804 1 5 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.421 0.162 25702 2805 1 5 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.669 -0.326 25702 2806 1 5 . 1 1 97 97 GLN H H 97 7.686 7.686 7.857 -0.171 25702 2807 1 5 . 1 1 98 98 ALA N N 98 120.911 120.911 123.808 -2.897 25702 2808 1 5 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.994 -0.064 25702 2809 1 5 . 1 1 98 98 ALA C C 98 179.544 179.544 179.583 -0.039 25702 2810 1 5 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.123 -0.374 25702 2811 1 5 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.016 -0.101 25702 2812 1 5 . 1 1 98 98 ALA H H 98 7.446 7.446 7.424 0.022 25702 2813 1 5 . 1 1 99 99 ILE N N 99 117.780 117.780 118.005 -0.225 25702 2814 1 5 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.587 -0.540 25702 2815 1 5 . 1 1 99 99 ILE C C 99 177.087 177.087 178.172 -1.085 25702 2816 1 5 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.713 2.746 25702 2817 1 5 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.919 2.213 25702 2818 1 5 . 1 1 99 99 ILE H H 99 7.735 7.735 8.485 -0.750 25702 2819 1 5 . 1 1 100 100 ALA N N 100 119.516 119.516 121.106 -1.590 25702 2820 1 5 . 1 1 100 100 ALA C C 100 180.431 180.431 178.600 1.831 25702 2821 1 5 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.365 0.880 25702 2822 1 5 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.086 0.207 25702 2823 1 5 . 1 1 100 100 ALA H H 100 8.214 8.214 7.402 0.812 25702 2824 1 5 . 1 1 101 101 ALA N N 101 115.674 115.674 121.057 -5.383 25702 2825 1 5 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.000 0.070 25702 2826 1 5 . 1 1 101 101 ALA C C 101 178.213 178.213 179.305 -1.092 25702 2827 1 5 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.762 0.122 25702 2828 1 5 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.264 -0.221 25702 2829 1 5 . 1 1 101 101 ALA H H 101 7.619 7.619 7.365 0.254 25702 2830 1 5 . 1 1 102 102 ASN N N 102 115.986 115.986 114.795 1.191 25702 2831 1 5 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.556 0.228 25702 2832 1 5 . 1 1 102 102 ASN C C 102 172.740 172.740 175.389 -2.649 25702 2833 1 5 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.510 -0.210 25702 2834 1 5 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.232 3.657 25702 2835 1 5 . 1 1 102 102 ASN H H 102 7.116 7.116 8.526 -1.410 25702 2836 1 6 . 1 1 2 2 VAL N N 2 125.020 125.020 120.404 4.616 25702 2837 1 6 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.260 -0.182 25702 2838 1 6 . 1 1 2 2 VAL C C 2 175.261 175.261 175.297 -0.036 25702 2839 1 6 . 1 1 2 2 VAL CA C 2 61.049 61.049 60.661 0.388 25702 2840 1 6 . 1 1 2 2 VAL CB C 2 32.667 32.667 34.132 -1.465 25702 2841 1 6 . 1 1 2 2 VAL H H 2 8.590 8.590 8.360 0.230 25702 2842 1 6 . 1 1 3 3 THR N N 3 125.759 125.759 123.058 2.701 25702 2843 1 6 . 1 1 3 3 THR HA H 3 4.138 4.138 4.386 -0.248 25702 2844 1 6 . 1 1 3 3 THR C C 3 173.129 173.129 173.191 -0.062 25702 2845 1 6 . 1 1 3 3 THR CA C 3 62.804 62.804 62.765 0.039 25702 2846 1 6 . 1 1 3 3 THR CB C 3 69.547 69.547 69.877 -0.330 25702 2847 1 6 . 1 1 3 3 THR H H 3 7.778 7.778 8.490 -0.712 25702 2848 1 6 . 1 1 4 4 GLN N N 4 127.746 127.746 123.779 3.967 25702 2849 1 6 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.589 0.150 25702 2850 1 6 . 1 1 4 4 GLN C C 4 176.754 176.754 175.539 1.215 25702 2851 1 6 . 1 1 4 4 GLN CA C 4 54.435 54.435 56.006 -1.571 25702 2852 1 6 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.922 -0.392 25702 2853 1 6 . 1 1 4 4 GLN H H 4 8.975 8.975 8.500 0.475 25702 2854 1 6 . 1 1 5 5 PHE N N 5 126.242 126.242 125.461 0.781 25702 2855 1 6 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.740 0.077 25702 2856 1 6 . 1 1 5 5 PHE C C 5 176.102 176.102 176.358 -0.256 25702 2857 1 6 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.049 2.479 25702 2858 1 6 . 1 1 5 5 PHE CB C 5 40.520 40.520 41.081 -0.561 25702 2859 1 6 . 1 1 5 5 PHE H H 5 8.422 8.422 8.843 -0.421 25702 2860 1 6 . 1 1 6 6 LYS N N 6 119.482 119.482 116.887 2.595 25702 2861 1 6 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.521 0.100 25702 2862 1 6 . 1 1 6 6 LYS C C 6 176.994 176.994 175.562 1.432 25702 2863 1 6 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.322 -0.307 25702 2864 1 6 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.318 -0.186 25702 2865 1 6 . 1 1 6 6 LYS H H 6 9.822 9.822 8.722 1.100 25702 2866 1 6 . 1 1 7 7 THR N N 7 107.464 107.464 107.912 -0.448 25702 2867 1 6 . 1 1 7 7 THR HA H 7 4.597 4.597 4.590 0.007 25702 2868 1 6 . 1 1 7 7 THR C C 7 173.921 173.921 174.271 -0.350 25702 2869 1 6 . 1 1 7 7 THR CA C 7 59.155 59.155 60.385 -1.230 25702 2870 1 6 . 1 1 7 7 THR CB C 7 72.660 72.660 72.067 0.593 25702 2871 1 6 . 1 1 7 7 THR H H 7 7.484 7.484 7.322 0.162 25702 2872 1 6 . 1 1 8 8 ALA N N 8 123.987 123.987 123.427 0.560 25702 2873 1 6 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.001 -0.292 25702 2874 1 6 . 1 1 8 8 ALA C C 8 179.409 179.409 178.409 1.000 25702 2875 1 6 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.559 0.443 25702 2876 1 6 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.221 -0.131 25702 2877 1 6 . 1 1 8 8 ALA H H 8 9.031 9.031 8.927 0.104 25702 2878 1 6 . 1 1 9 9 SER N N 9 112.387 112.387 113.020 -0.633 25702 2879 1 6 . 1 1 9 9 SER HA H 9 4.127 4.127 3.993 0.134 25702 2880 1 6 . 1 1 9 9 SER C C 9 177.070 177.070 176.451 0.619 25702 2881 1 6 . 1 1 9 9 SER CA C 9 61.109 61.109 61.689 -0.580 25702 2882 1 6 . 1 1 9 9 SER CB C 9 62.226 62.226 62.651 -0.424 25702 2883 1 6 . 1 1 9 9 SER H H 9 8.161 8.161 8.199 -0.038 25702 2884 1 6 . 1 1 10 10 GLU N N 10 121.941 121.941 121.423 0.518 25702 2885 1 6 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.802 0.049 25702 2886 1 6 . 1 1 10 10 GLU C C 10 178.776 178.776 178.139 0.637 25702 2887 1 6 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.949 -0.266 25702 2888 1 6 . 1 1 10 10 GLU CB C 10 31.004 31.004 28.884 2.120 25702 2889 1 6 . 1 1 10 10 GLU H H 10 7.522 7.522 7.426 0.096 25702 2890 1 6 . 1 1 11 11 PHE N N 11 120.541 120.541 119.486 1.055 25702 2891 1 6 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.065 -0.219 25702 2892 1 6 . 1 1 11 11 PHE C C 11 174.944 174.944 177.230 -2.286 25702 2893 1 6 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.964 -0.257 25702 2894 1 6 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.886 -1.148 25702 2895 1 6 . 1 1 11 11 PHE H H 11 6.624 6.624 7.179 -0.555 25702 2896 1 6 . 1 1 12 12 ASP N N 12 117.847 117.847 118.542 -0.695 25702 2897 1 6 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.167 -0.336 25702 2898 1 6 . 1 1 12 12 ASP C C 12 178.767 178.767 178.544 0.223 25702 2899 1 6 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.712 -0.494 25702 2900 1 6 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.746 -0.447 25702 2901 1 6 . 1 1 12 12 ASP H H 12 7.637 7.637 8.579 -0.942 25702 2902 1 6 . 1 1 13 13 SER N N 13 111.904 111.904 115.954 -4.050 25702 2903 1 6 . 1 1 13 13 SER HA H 13 4.034 4.034 4.066 -0.032 25702 2904 1 6 . 1 1 13 13 SER C C 13 176.341 176.341 176.143 0.198 25702 2905 1 6 . 1 1 13 13 SER CA C 13 60.857 60.857 61.379 -0.522 25702 2906 1 6 . 1 1 13 13 SER CB C 13 63.144 63.144 62.992 0.152 25702 2907 1 6 . 1 1 13 13 SER H H 13 7.539 7.539 8.118 -0.579 25702 2908 1 6 . 1 1 14 14 ALA N N 14 123.793 123.793 123.314 0.479 25702 2909 1 6 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.911 0.116 25702 2910 1 6 . 1 1 14 14 ALA C C 14 180.358 180.358 179.289 1.069 25702 2911 1 6 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.550 0.290 25702 2912 1 6 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.260 0.566 25702 2913 1 6 . 1 1 14 14 ALA H H 14 7.647 7.647 7.427 0.220 25702 2914 1 6 . 1 1 15 15 ILE N N 15 106.782 106.782 119.135 -12.353 25702 2915 1 6 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.641 0.079 25702 2916 1 6 . 1 1 15 15 ILE C C 15 176.012 176.012 177.986 -1.974 25702 2917 1 6 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.924 1.571 25702 2918 1 6 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.160 1.635 25702 2919 1 6 . 1 1 15 15 ILE H H 15 7.146 7.146 7.868 -0.722 25702 2920 1 6 . 1 1 16 16 ALA N N 16 122.248 122.248 119.470 2.778 25702 2921 1 6 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.250 -0.219 25702 2922 1 6 . 1 1 16 16 ALA C C 16 177.072 177.072 177.213 -0.141 25702 2923 1 6 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.077 -0.327 25702 2924 1 6 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.227 0.143 25702 2925 1 6 . 1 1 16 16 ALA H H 16 6.627 6.627 7.618 -0.991 25702 2926 1 6 . 1 1 17 17 GLN N N 17 115.254 115.254 118.221 -2.967 25702 2927 1 6 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.281 -0.062 25702 2928 1 6 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.276 0.622 25702 2929 1 6 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.875 4.089 25702 2930 1 6 . 1 1 17 17 GLN H H 17 7.136 7.136 7.385 -0.249 25702 2931 1 6 . 1 1 18 18 ASP N N 18 122.840 122.840 120.925 1.915 25702 2932 1 6 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.538 -0.006 25702 2933 1 6 . 1 1 18 18 ASP C C 18 175.348 175.348 175.279 0.069 25702 2934 1 6 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.859 -0.349 25702 2935 1 6 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.597 -0.547 25702 2936 1 6 . 1 1 18 18 ASP H H 18 8.644 8.644 8.581 0.063 25702 2937 1 6 . 1 1 19 19 LYS N N 19 118.503 118.503 115.287 3.216 25702 2938 1 6 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.508 -0.125 25702 2939 1 6 . 1 1 19 19 LYS C C 19 173.289 173.289 174.997 -1.708 25702 2940 1 6 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.811 0.910 25702 2941 1 6 . 1 1 19 19 LYS CB C 19 34.216 34.216 35.145 -0.929 25702 2942 1 6 . 1 1 19 19 LYS H H 19 7.939 7.939 7.521 0.418 25702 2943 1 6 . 1 1 20 20 LEU N N 20 120.813 120.813 124.172 -3.359 25702 2944 1 6 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.884 -0.175 25702 2945 1 6 . 1 1 20 20 LEU C C 20 174.429 174.429 175.515 -1.086 25702 2946 1 6 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.779 1.008 25702 2947 1 6 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.538 0.023 25702 2948 1 6 . 1 1 20 20 LEU H H 20 8.625 8.625 8.843 -0.218 25702 2949 1 6 . 1 1 21 21 VAL N N 21 128.813 128.813 128.716 0.097 25702 2950 1 6 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.488 -0.223 25702 2951 1 6 . 1 1 21 21 VAL C C 21 174.618 174.618 174.741 -0.123 25702 2952 1 6 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.811 -0.228 25702 2953 1 6 . 1 1 21 21 VAL CB C 21 34.577 34.577 33.171 1.406 25702 2954 1 6 . 1 1 21 21 VAL H H 21 9.251 9.251 9.110 0.141 25702 2955 1 6 . 1 1 22 22 VAL N N 22 130.243 130.243 129.123 1.120 25702 2956 1 6 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.435 -0.172 25702 2957 1 6 . 1 1 22 22 VAL C C 22 174.802 174.802 174.654 0.148 25702 2958 1 6 . 1 1 22 22 VAL CA C 22 61.642 61.642 60.837 0.805 25702 2959 1 6 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.841 0.983 25702 2960 1 6 . 1 1 22 22 VAL H H 22 8.969 8.969 9.186 -0.217 25702 2961 1 6 . 1 1 23 23 VAL N N 23 125.526 125.526 128.487 -2.961 25702 2962 1 6 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.501 0.151 25702 2963 1 6 . 1 1 23 23 VAL C C 23 174.086 174.086 174.870 -0.784 25702 2964 1 6 . 1 1 23 23 VAL CA C 23 61.783 61.783 61.068 0.715 25702 2965 1 6 . 1 1 23 23 VAL CB C 23 34.424 34.424 32.657 1.767 25702 2966 1 6 . 1 1 23 23 VAL H H 23 9.555 9.555 8.986 0.569 25702 2967 1 6 . 1 1 24 24 ALA N N 24 130.468 130.468 131.383 -0.915 25702 2968 1 6 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.721 0.282 25702 2969 1 6 . 1 1 24 24 ALA C C 24 175.093 175.093 175.743 -0.650 25702 2970 1 6 . 1 1 24 24 ALA CA C 24 51.109 51.109 51.103 0.006 25702 2971 1 6 . 1 1 24 24 ALA CB C 24 19.543 19.543 18.856 0.687 25702 2972 1 6 . 1 1 24 24 ALA H H 24 9.004 9.004 9.307 -0.303 25702 2973 1 6 . 1 1 25 25 PHE N N 25 124.289 124.289 127.570 -3.281 25702 2974 1 6 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.282 -0.263 25702 2975 1 6 . 1 1 25 25 PHE C C 25 174.794 174.794 174.295 0.499 25702 2976 1 6 . 1 1 25 25 PHE CA C 25 57.620 57.620 57.327 0.293 25702 2977 1 6 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.682 -1.917 25702 2978 1 6 . 1 1 25 25 PHE H H 25 9.455 9.455 9.248 0.207 25702 2979 1 6 . 1 1 26 26 TYR N N 26 120.967 120.967 122.627 -1.660 25702 2980 1 6 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.899 0.452 25702 2981 1 6 . 1 1 26 26 TYR C C 26 171.352 171.352 172.517 -1.165 25702 2982 1 6 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.620 -0.789 25702 2983 1 6 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.214 2.720 25702 2984 1 6 . 1 1 26 26 TYR H H 26 8.908 8.908 8.367 0.541 25702 2985 1 6 . 1 1 27 27 ALA N N 27 119.133 119.133 121.208 -2.075 25702 2986 1 6 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.594 -1.035 25702 2987 1 6 . 1 1 27 27 ALA C C 27 179.092 179.092 178.459 0.633 25702 2988 1 6 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.622 0.532 25702 2989 1 6 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.422 1.528 25702 2990 1 6 . 1 1 27 27 ALA H H 27 6.962 6.962 8.464 -1.502 25702 2991 1 6 . 1 1 28 28 THR N N 28 116.784 116.784 117.207 -0.423 25702 2992 1 6 . 1 1 28 28 THR HA H 28 3.867 3.867 4.144 -0.277 25702 2993 1 6 . 1 1 28 28 THR C C 28 174.957 174.957 175.267 -0.310 25702 2994 1 6 . 1 1 28 28 THR CA C 28 64.820 64.820 64.555 0.265 25702 2995 1 6 . 1 1 28 28 THR CB C 28 69.197 69.197 69.085 0.112 25702 2996 1 6 . 1 1 28 28 THR H H 28 10.053 10.053 9.357 0.696 25702 2997 1 6 . 1 1 29 29 TRP N N 29 114.763 114.763 118.134 -3.371 25702 2998 1 6 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.751 -0.229 25702 2999 1 6 . 1 1 29 29 TRP C C 29 175.478 175.478 175.848 -0.370 25702 3000 1 6 . 1 1 29 29 TRP CA C 29 53.505 53.505 54.860 -1.355 25702 3001 1 6 . 1 1 29 29 TRP CB C 29 29.344 29.344 29.021 0.323 25702 3002 1 6 . 1 1 29 29 TRP H H 29 6.495 6.495 7.459 -0.964 25702 3003 1 6 . 1 1 30 30 CYS N N 30 122.729 122.729 121.418 1.311 25702 3004 1 6 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.495 -0.004 25702 3005 1 6 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.979 -0.477 25702 3006 1 6 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.122 -1.474 25702 3007 1 6 . 1 1 30 30 CYS H H 30 6.484 6.484 7.223 -0.739 25702 3008 1 6 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.085 -0.125 25702 3009 1 6 . 1 1 33 33 CYS C C 33 176.605 176.605 175.333 1.272 25702 3010 1 6 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.656 2.907 25702 3011 1 6 . 1 1 33 33 CYS CB C 33 28.227 28.227 26.982 1.245 25702 3012 1 6 . 1 1 34 34 LYS N N 34 120.638 120.638 118.811 1.827 25702 3013 1 6 . 1 1 34 34 LYS HA H 34 3.922 3.922 4.010 -0.088 25702 3014 1 6 . 1 1 34 34 LYS C C 34 178.623 178.623 177.758 0.865 25702 3015 1 6 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.350 0.772 25702 3016 1 6 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.452 0.735 25702 3017 1 6 . 1 1 34 34 LYS H H 34 7.828 7.828 7.487 0.341 25702 3018 1 6 . 1 1 35 35 MET N N 35 115.754 115.754 118.669 -2.915 25702 3019 1 6 . 1 1 35 35 MET HA H 35 4.230 4.230 4.393 -0.163 25702 3020 1 6 . 1 1 35 35 MET C C 35 177.927 177.927 177.491 0.436 25702 3021 1 6 . 1 1 35 35 MET CA C 35 56.931 56.931 55.907 1.024 25702 3022 1 6 . 1 1 35 35 MET CB C 35 32.038 32.038 33.084 -1.046 25702 3023 1 6 . 1 1 35 35 MET H H 35 7.612 7.612 7.740 -0.128 25702 3024 1 6 . 1 1 36 36 ILE N N 36 114.905 114.905 119.277 -4.372 25702 3025 1 6 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.918 0.334 25702 3026 1 6 . 1 1 36 36 ILE C C 36 176.681 176.681 177.424 -0.743 25702 3027 1 6 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.184 -2.041 25702 3028 1 6 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.210 1.675 25702 3029 1 6 . 1 1 36 36 ILE H H 36 7.399 7.399 7.541 -0.142 25702 3030 1 6 . 1 1 37 37 ALA N N 37 125.154 125.154 123.655 1.499 25702 3031 1 6 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.987 0.092 25702 3032 1 6 . 1 1 37 37 ALA CA C 37 57.071 57.071 57.144 -0.073 25702 3033 1 6 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.112 -0.654 25702 3034 1 6 . 1 1 37 37 ALA H H 37 7.587 7.587 7.679 -0.092 25702 3035 1 6 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.380 -0.141 25702 3036 1 6 . 1 1 38 38 PRO C C 38 179.456 179.456 178.088 1.368 25702 3037 1 6 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.700 0.487 25702 3038 1 6 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.684 -0.921 25702 3039 1 6 . 1 1 39 39 MET N N 39 117.231 117.231 118.981 -1.750 25702 3040 1 6 . 1 1 39 39 MET HA H 39 3.854 3.854 4.288 -0.434 25702 3041 1 6 . 1 1 39 39 MET C C 39 177.388 177.388 177.841 -0.453 25702 3042 1 6 . 1 1 39 39 MET CA C 39 57.916 57.916 58.087 -0.171 25702 3043 1 6 . 1 1 39 39 MET CB C 39 32.238 32.238 32.172 0.066 25702 3044 1 6 . 1 1 39 39 MET H H 39 7.051 7.051 7.784 -0.733 25702 3045 1 6 . 1 1 40 40 ILE N N 40 117.419 117.419 119.352 -1.933 25702 3046 1 6 . 1 1 40 40 ILE HA H 40 3.675 3.675 4.027 -0.352 25702 3047 1 6 . 1 1 40 40 ILE C C 40 177.699 177.699 177.151 0.548 25702 3048 1 6 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.621 -0.952 25702 3049 1 6 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.084 -2.313 25702 3050 1 6 . 1 1 40 40 ILE H H 40 7.825 7.825 7.655 0.170 25702 3051 1 6 . 1 1 41 41 GLU N N 41 119.014 119.014 120.407 -1.393 25702 3052 1 6 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.649 -0.063 25702 3053 1 6 . 1 1 41 41 GLU C C 41 180.065 180.065 178.059 2.006 25702 3054 1 6 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.947 0.460 25702 3055 1 6 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.425 -0.951 25702 3056 1 6 . 1 1 41 41 GLU H H 41 7.475 7.475 7.665 -0.190 25702 3057 1 6 . 1 1 42 42 LYS N N 42 120.988 120.988 119.618 1.370 25702 3058 1 6 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.948 -0.031 25702 3059 1 6 . 1 1 42 42 LYS C C 42 179.895 179.895 178.643 1.252 25702 3060 1 6 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.185 0.849 25702 3061 1 6 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.820 -0.975 25702 3062 1 6 . 1 1 42 42 LYS H H 42 7.402 7.402 7.546 -0.144 25702 3063 1 6 . 1 1 43 43 PHE N N 43 118.946 118.946 117.715 1.231 25702 3064 1 6 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.941 -0.777 25702 3065 1 6 . 1 1 43 43 PHE C C 43 177.806 177.806 176.622 1.184 25702 3066 1 6 . 1 1 43 43 PHE CA C 43 60.022 60.022 60.046 -0.024 25702 3067 1 6 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.889 -0.469 25702 3068 1 6 . 1 1 43 43 PHE H H 43 8.270 8.270 7.630 0.640 25702 3069 1 6 . 1 1 44 44 SER N N 44 116.035 116.035 112.548 3.487 25702 3070 1 6 . 1 1 44 44 SER HA H 44 2.873 2.873 4.222 -1.349 25702 3071 1 6 . 1 1 44 44 SER C C 44 175.522 175.522 175.498 0.024 25702 3072 1 6 . 1 1 44 44 SER CA C 44 60.173 60.173 58.688 1.485 25702 3073 1 6 . 1 1 44 44 SER CB C 44 61.911 61.911 63.238 -1.327 25702 3074 1 6 . 1 1 44 44 SER H H 44 7.763 7.763 6.747 1.016 25702 3075 1 6 . 1 1 45 45 GLU N N 45 120.563 120.563 120.382 0.181 25702 3076 1 6 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.942 0.117 25702 3077 1 6 . 1 1 45 45 GLU C C 45 177.798 177.798 177.808 -0.010 25702 3078 1 6 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.476 -1.173 25702 3079 1 6 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.646 -0.009 25702 3080 1 6 . 1 1 45 45 GLU H H 45 6.888 6.888 7.265 -0.377 25702 3081 1 6 . 1 1 46 46 GLN N N 46 118.400 118.400 116.416 1.984 25702 3082 1 6 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.201 -0.274 25702 3083 1 6 . 1 1 46 46 GLN C C 46 175.422 175.422 176.398 -0.976 25702 3084 1 6 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.043 -0.010 25702 3085 1 6 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.408 -0.718 25702 3086 1 6 . 1 1 46 46 GLN H H 46 7.451 7.451 7.422 0.029 25702 3087 1 6 . 1 1 47 47 TYR N N 47 115.979 115.979 114.718 1.261 25702 3088 1 6 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.075 -0.092 25702 3089 1 6 . 1 1 47 47 TYR CA C 47 56.084 56.084 54.184 1.900 25702 3090 1 6 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.579 -0.505 25702 3091 1 6 . 1 1 47 47 TYR H H 47 7.433 7.433 7.454 -0.021 25702 3092 1 6 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.544 0.167 25702 3093 1 6 . 1 1 48 48 PRO C C 48 177.453 177.453 177.406 0.047 25702 3094 1 6 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.815 0.479 25702 3095 1 6 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.955 -0.085 25702 3096 1 6 . 1 1 49 49 GLN N N 49 119.035 119.035 118.553 0.482 25702 3097 1 6 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.242 0.118 25702 3098 1 6 . 1 1 49 49 GLN C C 49 174.990 174.990 175.381 -0.391 25702 3099 1 6 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.145 -0.685 25702 3100 1 6 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.864 -1.085 25702 3101 1 6 . 1 1 49 49 GLN H H 49 9.617 9.617 8.439 1.178 25702 3102 1 6 . 1 1 50 50 ALA N N 50 127.008 127.008 120.871 6.137 25702 3103 1 6 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.665 0.382 25702 3104 1 6 . 1 1 50 50 ALA C C 50 175.173 175.173 175.866 -0.693 25702 3105 1 6 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.995 -0.946 25702 3106 1 6 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.561 0.605 25702 3107 1 6 . 1 1 50 50 ALA H H 50 8.170 8.170 7.491 0.679 25702 3108 1 6 . 1 1 51 51 ASP N N 51 120.039 120.039 119.533 0.506 25702 3109 1 6 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.505 0.600 25702 3110 1 6 . 1 1 51 51 ASP C C 51 174.707 174.707 175.010 -0.303 25702 3111 1 6 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.458 -0.454 25702 3112 1 6 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.481 0.792 25702 3113 1 6 . 1 1 51 51 ASP H H 51 8.411 8.411 8.754 -0.343 25702 3114 1 6 . 1 1 52 52 PHE N N 52 120.670 120.670 119.731 0.939 25702 3115 1 6 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.247 -0.068 25702 3116 1 6 . 1 1 52 52 PHE C C 52 174.633 174.633 173.703 0.930 25702 3117 1 6 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.137 1.575 25702 3118 1 6 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.503 2.371 25702 3119 1 6 . 1 1 52 52 PHE H H 52 8.943 8.943 7.169 1.774 25702 3120 1 6 . 1 1 53 53 TYR N N 53 120.949 120.949 121.972 -1.023 25702 3121 1 6 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.522 -0.045 25702 3122 1 6 . 1 1 53 53 TYR C C 53 174.507 174.507 174.879 -0.372 25702 3123 1 6 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.430 -0.717 25702 3124 1 6 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.981 2.861 25702 3125 1 6 . 1 1 53 53 TYR H H 53 9.336 9.336 8.799 0.537 25702 3126 1 6 . 1 1 54 54 LYS N N 54 115.771 115.771 119.468 -3.697 25702 3127 1 6 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.285 0.214 25702 3128 1 6 . 1 1 54 54 LYS C C 54 173.200 173.200 173.913 -0.713 25702 3129 1 6 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.211 -1.716 25702 3130 1 6 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.455 -1.499 25702 3131 1 6 . 1 1 54 54 LYS H H 54 8.451 8.451 8.836 -0.385 25702 3132 1 6 . 1 1 55 55 LEU N N 55 123.037 123.037 120.277 2.760 25702 3133 1 6 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.530 -0.059 25702 3134 1 6 . 1 1 55 55 LEU C C 55 172.053 172.053 172.793 -0.740 25702 3135 1 6 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.520 0.866 25702 3136 1 6 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.338 -0.525 25702 3137 1 6 . 1 1 55 55 LEU H H 55 8.783 8.783 8.570 0.213 25702 3138 1 6 . 1 1 56 56 ASP N N 56 126.250 126.250 122.618 3.632 25702 3139 1 6 . 1 1 56 56 ASP HA H 56 4.157 4.157 4.956 -0.799 25702 3140 1 6 . 1 1 56 56 ASP C C 56 178.219 178.219 176.522 1.697 25702 3141 1 6 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.408 -0.166 25702 3142 1 6 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.706 -0.958 25702 3143 1 6 . 1 1 56 56 ASP H H 56 8.580 8.580 8.269 0.311 25702 3144 1 6 . 1 1 57 57 VAL N N 57 123.015 123.015 127.246 -4.231 25702 3145 1 6 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.138 -0.722 25702 3146 1 6 . 1 1 57 57 VAL C C 57 175.672 175.672 176.013 -0.341 25702 3147 1 6 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.220 0.476 25702 3148 1 6 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.397 -1.394 25702 3149 1 6 . 1 1 57 57 VAL H H 57 8.767 8.767 8.802 -0.035 25702 3150 1 6 . 1 1 58 58 ASP N N 58 118.536 118.536 117.878 0.658 25702 3151 1 6 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.701 -0.006 25702 3152 1 6 . 1 1 58 58 ASP C C 58 177.541 177.541 177.653 -0.112 25702 3153 1 6 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.723 -0.564 25702 3154 1 6 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.383 -0.913 25702 3155 1 6 . 1 1 58 58 ASP H H 58 8.653 8.653 8.266 0.387 25702 3156 1 6 . 1 1 59 59 GLU N N 59 119.610 119.610 118.295 1.315 25702 3157 1 6 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.454 -0.101 25702 3158 1 6 . 1 1 59 59 GLU C C 59 177.106 177.106 177.134 -0.028 25702 3159 1 6 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.528 -0.159 25702 3160 1 6 . 1 1 59 59 GLU CB C 59 31.700 31.700 31.142 0.558 25702 3161 1 6 . 1 1 59 59 GLU H H 59 7.596 7.596 7.708 -0.112 25702 3162 1 6 . 1 1 60 60 LEU N N 60 121.513 121.513 122.035 -0.522 25702 3163 1 6 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.780 0.132 25702 3164 1 6 . 1 1 60 60 LEU C C 60 177.050 177.050 176.963 0.087 25702 3165 1 6 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.870 -0.506 25702 3166 1 6 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.836 1.786 25702 3167 1 6 . 1 1 60 60 LEU H H 60 7.689 7.689 8.456 -0.767 25702 3168 1 6 . 1 1 61 61 GLY N N 61 111.170 111.170 109.994 1.176 25702 3169 1 6 . 1 1 61 61 GLY C C 61 176.313 176.313 175.385 0.928 25702 3170 1 6 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.058 1.165 25702 3171 1 6 . 1 1 61 61 GLY H H 61 8.218 8.218 8.571 -0.353 25702 3172 1 6 . 1 1 62 62 ASP N N 62 119.711 119.711 119.746 -0.035 25702 3173 1 6 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.381 -0.063 25702 3174 1 6 . 1 1 62 62 ASP C C 62 178.935 178.935 177.945 0.990 25702 3175 1 6 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.474 0.205 25702 3176 1 6 . 1 1 62 62 ASP CB C 62 39.263 39.263 39.642 -0.379 25702 3177 1 6 . 1 1 62 62 ASP H H 62 9.141 9.141 8.663 0.478 25702 3178 1 6 . 1 1 63 63 VAL N N 63 120.511 120.511 121.357 -0.846 25702 3179 1 6 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.707 -0.384 25702 3180 1 6 . 1 1 63 63 VAL C C 63 179.266 179.266 177.517 1.749 25702 3181 1 6 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.451 -0.057 25702 3182 1 6 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.836 -0.544 25702 3183 1 6 . 1 1 63 63 VAL H H 63 7.275 7.275 7.356 -0.081 25702 3184 1 6 . 1 1 64 64 ALA N N 64 122.711 122.711 120.181 2.530 25702 3185 1 6 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.795 -0.005 25702 3186 1 6 . 1 1 64 64 ALA C C 64 178.540 178.540 179.867 -1.327 25702 3187 1 6 . 1 1 64 64 ALA CA C 64 55.885 55.885 54.562 1.323 25702 3188 1 6 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.431 -0.614 25702 3189 1 6 . 1 1 64 64 ALA H H 64 7.264 7.264 7.831 -0.567 25702 3190 1 6 . 1 1 65 65 GLN N N 65 117.988 117.988 114.824 3.164 25702 3191 1 6 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.199 -0.142 25702 3192 1 6 . 1 1 65 65 GLN C C 65 180.544 180.544 177.412 3.132 25702 3193 1 6 . 1 1 65 65 GLN CA C 65 59.009 59.009 56.812 2.196 25702 3194 1 6 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.665 -0.363 25702 3195 1 6 . 1 1 65 65 GLN H H 65 8.344 8.344 7.665 0.679 25702 3196 1 6 . 1 1 66 66 LYS N N 66 120.050 120.050 119.878 0.172 25702 3197 1 6 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.116 -0.062 25702 3198 1 6 . 1 1 66 66 LYS C C 66 176.954 176.954 177.355 -0.401 25702 3199 1 6 . 1 1 66 66 LYS CA C 66 58.817 58.817 57.880 0.938 25702 3200 1 6 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.623 -0.444 25702 3201 1 6 . 1 1 66 66 LYS H H 66 7.971 7.971 7.802 0.169 25702 3202 1 6 . 1 1 67 67 ASN N N 67 114.553 114.553 114.341 0.212 25702 3203 1 6 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.656 0.120 25702 3204 1 6 . 1 1 67 67 ASN C C 67 171.614 171.614 175.119 -3.505 25702 3205 1 6 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.490 1.590 25702 3206 1 6 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.401 1.708 25702 3207 1 6 . 1 1 67 67 ASN H H 67 7.064 7.064 7.724 -0.660 25702 3208 1 6 . 1 1 68 68 GLU N N 68 114.491 114.491 115.585 -1.094 25702 3209 1 6 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.854 -0.113 25702 3210 1 6 . 1 1 68 68 GLU C C 68 175.660 175.660 174.362 1.298 25702 3211 1 6 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.316 -0.310 25702 3212 1 6 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.666 -1.694 25702 3213 1 6 . 1 1 68 68 GLU H H 68 7.755 7.755 7.910 -0.155 25702 3214 1 6 . 1 1 69 69 VAL N N 69 120.375 120.375 119.272 1.103 25702 3215 1 6 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.076 -0.172 25702 3216 1 6 . 1 1 69 69 VAL C C 69 175.415 175.415 174.432 0.983 25702 3217 1 6 . 1 1 69 69 VAL CA C 69 62.870 62.870 62.451 0.419 25702 3218 1 6 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.679 -0.765 25702 3219 1 6 . 1 1 69 69 VAL H H 69 7.787 7.787 7.832 -0.045 25702 3220 1 6 . 1 1 70 70 SER N N 70 121.558 121.558 122.919 -1.361 25702 3221 1 6 . 1 1 70 70 SER HA H 70 4.488 4.488 4.607 -0.119 25702 3222 1 6 . 1 1 70 70 SER C C 70 172.616 172.616 174.506 -1.890 25702 3223 1 6 . 1 1 70 70 SER CA C 70 57.728 57.728 58.709 -0.981 25702 3224 1 6 . 1 1 70 70 SER CB C 70 64.713 64.713 64.284 0.429 25702 3225 1 6 . 1 1 70 70 SER H H 70 8.565 8.565 8.545 0.020 25702 3226 1 6 . 1 1 71 71 ALA N N 71 125.848 125.848 125.028 0.820 25702 3227 1 6 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.665 -0.086 25702 3228 1 6 . 1 1 71 71 ALA C C 71 175.531 175.531 175.828 -0.297 25702 3229 1 6 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.347 0.145 25702 3230 1 6 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.288 1.074 25702 3231 1 6 . 1 1 71 71 ALA H H 71 7.861 7.861 8.032 -0.171 25702 3232 1 6 . 1 1 72 72 MET N N 72 118.991 118.991 117.163 1.828 25702 3233 1 6 . 1 1 72 72 MET HA H 72 4.879 4.879 5.060 -0.181 25702 3234 1 6 . 1 1 72 72 MET CA C 72 51.907 51.907 52.029 -0.122 25702 3235 1 6 . 1 1 72 72 MET CB C 72 35.595 35.595 33.741 1.854 25702 3236 1 6 . 1 1 72 72 MET H H 72 8.553 8.553 8.188 0.365 25702 3237 1 6 . 1 1 73 73 PRO HA H 73 5.006 5.006 5.177 -0.171 25702 3238 1 6 . 1 1 73 73 PRO C C 73 176.015 176.015 175.529 0.486 25702 3239 1 6 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.602 0.427 25702 3240 1 6 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.691 0.674 25702 3241 1 6 . 1 1 74 74 THR N N 74 114.577 114.577 116.823 -2.246 25702 3242 1 6 . 1 1 74 74 THR HA H 74 5.013 5.013 5.032 -0.019 25702 3243 1 6 . 1 1 74 74 THR C C 74 171.538 171.538 173.353 -1.815 25702 3244 1 6 . 1 1 74 74 THR CA C 74 63.556 63.556 62.057 1.499 25702 3245 1 6 . 1 1 74 74 THR CB C 74 73.238 73.238 72.323 0.914 25702 3246 1 6 . 1 1 74 74 THR H H 74 7.772 7.772 9.234 -1.462 25702 3247 1 6 . 1 1 75 75 LEU N N 75 131.086 131.086 126.854 4.232 25702 3248 1 6 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.400 0.086 25702 3249 1 6 . 1 1 75 75 LEU C C 75 174.827 174.827 175.240 -0.413 25702 3250 1 6 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.217 -0.895 25702 3251 1 6 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.651 0.498 25702 3252 1 6 . 1 1 75 75 LEU H H 75 9.517 9.517 9.352 0.165 25702 3253 1 6 . 1 1 76 76 LEU N N 76 123.573 123.573 125.571 -1.998 25702 3254 1 6 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.933 -0.030 25702 3255 1 6 . 1 1 76 76 LEU C C 76 174.229 174.229 174.987 -0.758 25702 3256 1 6 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.679 -0.192 25702 3257 1 6 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.156 0.914 25702 3258 1 6 . 1 1 76 76 LEU H H 76 9.214 9.214 8.916 0.298 25702 3259 1 6 . 1 1 77 77 LEU N N 77 123.032 123.032 126.443 -3.411 25702 3260 1 6 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.351 -0.103 25702 3261 1 6 . 1 1 77 77 LEU C C 77 174.961 174.961 175.681 -0.720 25702 3262 1 6 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.772 0.957 25702 3263 1 6 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.459 0.232 25702 3264 1 6 . 1 1 77 77 LEU H H 77 8.189 8.189 9.114 -0.925 25702 3265 1 6 . 1 1 78 78 PHE N N 78 121.929 121.929 123.125 -1.196 25702 3266 1 6 . 1 1 78 78 PHE HA H 78 5.397 5.397 5.023 0.374 25702 3267 1 6 . 1 1 78 78 PHE C C 78 174.427 174.427 174.277 0.150 25702 3268 1 6 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.855 -0.474 25702 3269 1 6 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.094 0.224 25702 3270 1 6 . 1 1 78 78 PHE H H 78 9.748 9.748 9.409 0.339 25702 3271 1 6 . 1 1 79 79 LYS N N 79 117.221 117.221 120.961 -3.740 25702 3272 1 6 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.158 -0.345 25702 3273 1 6 . 1 1 79 79 LYS C C 79 177.709 177.709 176.398 1.311 25702 3274 1 6 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.140 2.282 25702 3275 1 6 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.778 0.492 25702 3276 1 6 . 1 1 79 79 LYS H H 79 8.741 8.741 9.271 -0.530 25702 3277 1 6 . 1 1 80 80 ASN N N 80 125.563 125.563 124.408 1.155 25702 3278 1 6 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.439 -0.134 25702 3279 1 6 . 1 1 80 80 ASN C C 80 175.395 175.395 175.196 0.199 25702 3280 1 6 . 1 1 80 80 ASN CA C 80 54.469 54.469 54.174 0.295 25702 3281 1 6 . 1 1 80 80 ASN CB C 80 37.671 37.671 35.711 1.960 25702 3282 1 6 . 1 1 80 80 ASN H H 80 8.890 8.890 8.989 -0.099 25702 3283 1 6 . 1 1 81 81 GLY N N 81 102.976 102.976 105.929 -2.953 25702 3284 1 6 . 1 1 81 81 GLY C C 81 173.223 173.223 174.016 -0.793 25702 3285 1 6 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.728 -0.083 25702 3286 1 6 . 1 1 81 81 GLY H H 81 8.640 8.640 8.777 -0.137 25702 3287 1 6 . 1 1 82 82 LYS N N 82 119.280 119.280 119.756 -0.476 25702 3288 1 6 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.737 -0.014 25702 3289 1 6 . 1 1 82 82 LYS C C 82 174.897 174.897 175.194 -0.297 25702 3290 1 6 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.492 -0.137 25702 3291 1 6 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.016 0.311 25702 3292 1 6 . 1 1 82 82 LYS H H 82 7.583 7.583 7.671 -0.088 25702 3293 1 6 . 1 1 83 83 GLU N N 83 125.460 125.460 120.232 5.228 25702 3294 1 6 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.821 0.038 25702 3295 1 6 . 1 1 83 83 GLU C C 83 177.249 177.249 177.223 0.026 25702 3296 1 6 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.600 -0.641 25702 3297 1 6 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.303 0.208 25702 3298 1 6 . 1 1 83 83 GLU H H 83 8.818 8.818 8.707 0.111 25702 3299 1 6 . 1 1 84 84 VAL N N 84 121.989 121.989 113.804 8.185 25702 3300 1 6 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.414 0.008 25702 3301 1 6 . 1 1 84 84 VAL C C 84 175.625 175.625 175.033 0.592 25702 3302 1 6 . 1 1 84 84 VAL CA C 84 61.083 61.083 62.135 -1.052 25702 3303 1 6 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.498 -1.407 25702 3304 1 6 . 1 1 84 84 VAL H H 84 9.281 9.281 8.064 1.217 25702 3305 1 6 . 1 1 85 85 ALA N N 85 121.284 121.284 122.732 -1.448 25702 3306 1 6 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.552 -0.153 25702 3307 1 6 . 1 1 85 85 ALA C C 85 173.805 173.805 174.534 -0.729 25702 3308 1 6 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.295 0.361 25702 3309 1 6 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.252 0.735 25702 3310 1 6 . 1 1 85 85 ALA H H 85 7.564 7.564 7.506 0.058 25702 3311 1 6 . 1 1 86 86 LYS N N 86 119.558 119.558 120.676 -1.118 25702 3312 1 6 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.471 -0.525 25702 3313 1 6 . 1 1 86 86 LYS C C 86 174.999 174.999 174.882 0.117 25702 3314 1 6 . 1 1 86 86 LYS CA C 86 55.339 55.339 54.853 0.486 25702 3315 1 6 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.521 0.084 25702 3316 1 6 . 1 1 86 86 LYS H H 86 8.000 8.000 8.183 -0.183 25702 3317 1 6 . 1 1 87 87 VAL N N 87 126.118 126.118 117.839 8.279 25702 3318 1 6 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.599 0.104 25702 3319 1 6 . 1 1 87 87 VAL C C 87 174.516 174.516 175.085 -0.569 25702 3320 1 6 . 1 1 87 87 VAL CA C 87 61.379 61.379 60.706 0.673 25702 3321 1 6 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.215 -1.028 25702 3322 1 6 . 1 1 87 87 VAL H H 87 9.198 9.198 9.144 0.054 25702 3323 1 6 . 1 1 88 88 VAL N N 88 128.549 128.549 119.064 9.485 25702 3324 1 6 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.604 -0.150 25702 3325 1 6 . 1 1 88 88 VAL C C 88 176.142 176.142 175.506 0.636 25702 3326 1 6 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.185 0.797 25702 3327 1 6 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.574 2.067 25702 3328 1 6 . 1 1 88 88 VAL H H 88 9.031 9.031 8.412 0.619 25702 3329 1 6 . 1 1 89 89 GLY N N 89 114.516 114.516 108.150 6.366 25702 3330 1 6 . 1 1 89 89 GLY C C 89 173.063 173.063 173.233 -0.170 25702 3331 1 6 . 1 1 89 89 GLY CA C 89 43.506 43.506 44.936 -1.430 25702 3332 1 6 . 1 1 89 89 GLY H H 89 8.379 8.379 7.267 1.112 25702 3333 1 6 . 1 1 90 90 ALA N N 90 122.292 122.292 124.252 -1.960 25702 3334 1 6 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.176 0.019 25702 3335 1 6 . 1 1 90 90 ALA C C 90 174.897 174.897 176.417 -1.520 25702 3336 1 6 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.526 -2.087 25702 3337 1 6 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.422 -0.540 25702 3338 1 6 . 1 1 90 90 ALA H H 90 8.592 8.592 8.531 0.061 25702 3339 1 6 . 1 1 91 91 ASN N N 91 120.220 120.220 124.070 -3.850 25702 3340 1 6 . 1 1 91 91 ASN HA H 91 5.111 5.111 4.988 0.123 25702 3341 1 6 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.631 0.381 25702 3342 1 6 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.608 -0.630 25702 3343 1 6 . 1 1 91 91 ASN H H 91 7.386 7.386 8.430 -1.044 25702 3344 1 6 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.119 -0.091 25702 3345 1 6 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.653 -4.556 25702 3346 1 6 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.262 -0.167 25702 3347 1 6 . 1 1 93 93 ALA C C 93 180.205 180.205 179.599 0.606 25702 3348 1 6 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.725 0.441 25702 3349 1 6 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.079 -0.098 25702 3350 1 6 . 1 1 94 94 ALA N N 94 120.499 120.499 122.031 -1.532 25702 3351 1 6 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.184 -0.123 25702 3352 1 6 . 1 1 94 94 ALA C C 94 180.917 180.917 180.190 0.727 25702 3353 1 6 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.841 -0.581 25702 3354 1 6 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.255 0.543 25702 3355 1 6 . 1 1 94 94 ALA H H 94 7.223 7.223 8.352 -1.129 25702 3356 1 6 . 1 1 95 95 ILE N N 95 119.397 119.397 118.598 0.799 25702 3357 1 6 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.744 -0.392 25702 3358 1 6 . 1 1 95 95 ILE C C 95 176.217 176.217 177.931 -1.714 25702 3359 1 6 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.446 2.507 25702 3360 1 6 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.913 1.467 25702 3361 1 6 . 1 1 95 95 ILE H H 95 7.772 7.772 8.788 -1.016 25702 3362 1 6 . 1 1 96 96 LYS N N 96 118.919 118.919 120.069 -1.150 25702 3363 1 6 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.459 -1.442 25702 3364 1 6 . 1 1 96 96 LYS C C 96 177.824 177.824 179.774 -1.950 25702 3365 1 6 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.404 1.222 25702 3366 1 6 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.264 -0.099 25702 3367 1 6 . 1 1 96 96 LYS H H 96 8.112 8.112 7.658 0.454 25702 3368 1 6 . 1 1 97 97 GLN N N 97 115.480 115.480 119.060 -3.580 25702 3369 1 6 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.126 -0.274 25702 3370 1 6 . 1 1 97 97 GLN C C 97 178.014 178.014 177.817 0.197 25702 3371 1 6 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.534 0.049 25702 3372 1 6 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.734 -0.390 25702 3373 1 6 . 1 1 97 97 GLN H H 97 7.686 7.686 8.401 -0.715 25702 3374 1 6 . 1 1 98 98 ALA N N 98 120.911 120.911 123.517 -2.606 25702 3375 1 6 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.007 -0.077 25702 3376 1 6 . 1 1 98 98 ALA C C 98 179.544 179.544 179.729 -0.185 25702 3377 1 6 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.172 -0.423 25702 3378 1 6 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.102 -0.187 25702 3379 1 6 . 1 1 98 98 ALA H H 98 7.446 7.446 7.641 -0.195 25702 3380 1 6 . 1 1 99 99 ILE N N 99 117.780 117.780 117.726 0.054 25702 3381 1 6 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.590 -0.543 25702 3382 1 6 . 1 1 99 99 ILE C C 99 177.087 177.087 178.146 -1.059 25702 3383 1 6 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.872 2.587 25702 3384 1 6 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.997 2.135 25702 3385 1 6 . 1 1 99 99 ILE H H 99 7.735 7.735 8.434 -0.699 25702 3386 1 6 . 1 1 100 100 ALA N N 100 119.516 119.516 120.536 -1.020 25702 3387 1 6 . 1 1 100 100 ALA C C 100 180.431 180.431 178.304 2.127 25702 3388 1 6 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.935 1.310 25702 3389 1 6 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.109 0.184 25702 3390 1 6 . 1 1 100 100 ALA H H 100 8.214 8.214 7.527 0.687 25702 3391 1 6 . 1 1 101 101 ALA N N 101 115.674 115.674 121.658 -5.984 25702 3392 1 6 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.133 -0.063 25702 3393 1 6 . 1 1 101 101 ALA C C 101 178.213 178.213 179.156 -0.943 25702 3394 1 6 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.956 -0.072 25702 3395 1 6 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.491 -0.448 25702 3396 1 6 . 1 1 101 101 ALA H H 101 7.619 7.619 7.745 -0.126 25702 3397 1 6 . 1 1 102 102 ASN N N 102 115.986 115.986 114.774 1.212 25702 3398 1 6 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.599 0.185 25702 3399 1 6 . 1 1 102 102 ASN C C 102 172.740 172.740 175.701 -2.961 25702 3400 1 6 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.335 -0.035 25702 3401 1 6 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.494 3.395 25702 3402 1 6 . 1 1 102 102 ASN H H 102 7.116 7.116 8.391 -1.275 25702 3403 1 7 . 1 1 2 2 VAL N N 2 125.020 125.020 120.300 4.720 25702 3404 1 7 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.404 -0.326 25702 3405 1 7 . 1 1 2 2 VAL C C 2 175.261 175.261 175.557 -0.296 25702 3406 1 7 . 1 1 2 2 VAL CA C 2 61.049 61.049 60.780 0.269 25702 3407 1 7 . 1 1 2 2 VAL CB C 2 32.667 32.667 33.356 -0.689 25702 3408 1 7 . 1 1 2 2 VAL H H 2 8.590 8.590 8.399 0.191 25702 3409 1 7 . 1 1 3 3 THR N N 3 125.759 125.759 121.695 4.064 25702 3410 1 7 . 1 1 3 3 THR HA H 3 4.138 4.138 4.120 0.018 25702 3411 1 7 . 1 1 3 3 THR C C 3 173.129 173.129 173.568 -0.439 25702 3412 1 7 . 1 1 3 3 THR CA C 3 62.804 62.804 63.707 -0.903 25702 3413 1 7 . 1 1 3 3 THR CB C 3 69.547 69.547 69.610 -0.063 25702 3414 1 7 . 1 1 3 3 THR H H 3 7.778 7.778 8.097 -0.319 25702 3415 1 7 . 1 1 4 4 GLN N N 4 127.746 127.746 125.070 2.676 25702 3416 1 7 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.552 0.187 25702 3417 1 7 . 1 1 4 4 GLN C C 4 176.754 176.754 175.474 1.280 25702 3418 1 7 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.037 -0.602 25702 3419 1 7 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.485 0.045 25702 3420 1 7 . 1 1 4 4 GLN H H 4 8.975 8.975 8.453 0.522 25702 3421 1 7 . 1 1 5 5 PHE N N 5 126.242 126.242 128.428 -2.186 25702 3422 1 7 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.529 0.288 25702 3423 1 7 . 1 1 5 5 PHE C C 5 176.102 176.102 175.795 0.307 25702 3424 1 7 . 1 1 5 5 PHE CA C 5 58.528 58.528 57.327 1.201 25702 3425 1 7 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.271 0.249 25702 3426 1 7 . 1 1 5 5 PHE H H 5 8.422 8.422 8.794 -0.372 25702 3427 1 7 . 1 1 6 6 LYS N N 6 119.482 119.482 117.704 1.778 25702 3428 1 7 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.593 0.028 25702 3429 1 7 . 1 1 6 6 LYS C C 6 176.994 176.994 176.407 0.587 25702 3430 1 7 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.334 -0.319 25702 3431 1 7 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.553 -0.421 25702 3432 1 7 . 1 1 6 6 LYS H H 6 9.822 9.822 8.568 1.254 25702 3433 1 7 . 1 1 7 7 THR N N 7 107.464 107.464 109.428 -1.964 25702 3434 1 7 . 1 1 7 7 THR HA H 7 4.597 4.597 4.690 -0.093 25702 3435 1 7 . 1 1 7 7 THR C C 7 173.921 173.921 174.320 -0.399 25702 3436 1 7 . 1 1 7 7 THR CA C 7 59.155 59.155 59.806 -0.651 25702 3437 1 7 . 1 1 7 7 THR CB C 7 72.660 72.660 72.024 0.636 25702 3438 1 7 . 1 1 7 7 THR H H 7 7.484 7.484 7.779 -0.295 25702 3439 1 7 . 1 1 8 8 ALA N N 8 123.987 123.987 121.563 2.424 25702 3440 1 7 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.126 -0.417 25702 3441 1 7 . 1 1 8 8 ALA C C 8 179.409 179.409 179.528 -0.119 25702 3442 1 7 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.878 0.124 25702 3443 1 7 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.461 -0.371 25702 3444 1 7 . 1 1 8 8 ALA H H 8 9.031 9.031 8.623 0.408 25702 3445 1 7 . 1 1 9 9 SER N N 9 112.387 112.387 115.352 -2.965 25702 3446 1 7 . 1 1 9 9 SER HA H 9 4.127 4.127 3.981 0.146 25702 3447 1 7 . 1 1 9 9 SER C C 9 177.070 177.070 176.846 0.224 25702 3448 1 7 . 1 1 9 9 SER CA C 9 61.109 61.109 61.799 -0.690 25702 3449 1 7 . 1 1 9 9 SER CB C 9 62.226 62.226 62.826 -0.600 25702 3450 1 7 . 1 1 9 9 SER H H 9 8.161 8.161 7.671 0.490 25702 3451 1 7 . 1 1 10 10 GLU N N 10 121.941 121.941 121.792 0.149 25702 3452 1 7 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.868 -0.017 25702 3453 1 7 . 1 1 10 10 GLU C C 10 178.776 178.776 177.899 0.877 25702 3454 1 7 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.221 -0.538 25702 3455 1 7 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.035 1.969 25702 3456 1 7 . 1 1 10 10 GLU H H 10 7.522 7.522 7.451 0.071 25702 3457 1 7 . 1 1 11 11 PHE N N 11 120.541 120.541 119.449 1.092 25702 3458 1 7 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.949 -0.103 25702 3459 1 7 . 1 1 11 11 PHE C C 11 174.944 174.944 176.934 -1.990 25702 3460 1 7 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.769 -0.062 25702 3461 1 7 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.839 -1.101 25702 3462 1 7 . 1 1 11 11 PHE H H 11 6.624 6.624 7.177 -0.553 25702 3463 1 7 . 1 1 12 12 ASP N N 12 117.847 117.847 118.286 -0.439 25702 3464 1 7 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.137 -0.306 25702 3465 1 7 . 1 1 12 12 ASP C C 12 178.767 178.767 178.574 0.193 25702 3466 1 7 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.411 -0.193 25702 3467 1 7 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.686 -0.387 25702 3468 1 7 . 1 1 12 12 ASP H H 12 7.637 7.637 8.351 -0.714 25702 3469 1 7 . 1 1 13 13 SER N N 13 111.904 111.904 115.342 -3.438 25702 3470 1 7 . 1 1 13 13 SER HA H 13 4.034 4.034 4.121 -0.087 25702 3471 1 7 . 1 1 13 13 SER C C 13 176.341 176.341 175.790 0.551 25702 3472 1 7 . 1 1 13 13 SER CA C 13 60.857 60.857 61.045 -0.188 25702 3473 1 7 . 1 1 13 13 SER CB C 13 63.144 63.144 63.148 -0.004 25702 3474 1 7 . 1 1 13 13 SER H H 13 7.539 7.539 7.934 -0.395 25702 3475 1 7 . 1 1 14 14 ALA N N 14 123.793 123.793 121.877 1.916 25702 3476 1 7 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.953 0.074 25702 3477 1 7 . 1 1 14 14 ALA C C 14 180.358 180.358 179.907 0.451 25702 3478 1 7 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.135 0.705 25702 3479 1 7 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.465 0.361 25702 3480 1 7 . 1 1 14 14 ALA H H 14 7.647 7.647 7.439 0.208 25702 3481 1 7 . 1 1 15 15 ILE N N 15 106.782 106.782 119.262 -12.480 25702 3482 1 7 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.632 0.088 25702 3483 1 7 . 1 1 15 15 ILE C C 15 176.012 176.012 177.892 -1.880 25702 3484 1 7 . 1 1 15 15 ILE CA C 15 63.495 63.495 62.066 1.429 25702 3485 1 7 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.135 1.660 25702 3486 1 7 . 1 1 15 15 ILE H H 15 7.146 7.146 7.739 -0.593 25702 3487 1 7 . 1 1 16 16 ALA N N 16 122.248 122.248 119.057 3.191 25702 3488 1 7 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.175 -0.144 25702 3489 1 7 . 1 1 16 16 ALA C C 16 177.072 177.072 177.004 0.068 25702 3490 1 7 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.116 -0.366 25702 3491 1 7 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.417 -0.047 25702 3492 1 7 . 1 1 16 16 ALA H H 16 6.627 6.627 7.508 -0.881 25702 3493 1 7 . 1 1 17 17 GLN N N 17 115.254 115.254 118.751 -3.497 25702 3494 1 7 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.231 -0.012 25702 3495 1 7 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.578 0.320 25702 3496 1 7 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.534 4.430 25702 3497 1 7 . 1 1 17 17 GLN H H 17 7.136 7.136 7.241 -0.105 25702 3498 1 7 . 1 1 18 18 ASP N N 18 122.840 122.840 121.926 0.914 25702 3499 1 7 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.594 -0.062 25702 3500 1 7 . 1 1 18 18 ASP C C 18 175.348 175.348 175.405 -0.057 25702 3501 1 7 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.401 -0.892 25702 3502 1 7 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.322 -0.272 25702 3503 1 7 . 1 1 18 18 ASP H H 18 8.644 8.644 8.551 0.093 25702 3504 1 7 . 1 1 19 19 LYS N N 19 118.503 118.503 115.589 2.914 25702 3505 1 7 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.516 -0.133 25702 3506 1 7 . 1 1 19 19 LYS C C 19 173.289 173.289 174.679 -1.390 25702 3507 1 7 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.998 0.723 25702 3508 1 7 . 1 1 19 19 LYS CB C 19 34.216 34.216 35.314 -1.098 25702 3509 1 7 . 1 1 19 19 LYS H H 19 7.939 7.939 7.675 0.264 25702 3510 1 7 . 1 1 20 20 LEU N N 20 120.813 120.813 123.830 -3.017 25702 3511 1 7 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.821 -0.112 25702 3512 1 7 . 1 1 20 20 LEU C C 20 174.429 174.429 175.766 -1.337 25702 3513 1 7 . 1 1 20 20 LEU CA C 20 55.787 55.787 55.207 0.580 25702 3514 1 7 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.814 -0.253 25702 3515 1 7 . 1 1 20 20 LEU H H 20 8.625 8.625 8.829 -0.204 25702 3516 1 7 . 1 1 21 21 VAL N N 21 128.813 128.813 128.347 0.466 25702 3517 1 7 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.323 -0.058 25702 3518 1 7 . 1 1 21 21 VAL C C 21 174.618 174.618 175.066 -0.448 25702 3519 1 7 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.465 0.118 25702 3520 1 7 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.484 2.093 25702 3521 1 7 . 1 1 21 21 VAL H H 21 9.251 9.251 9.305 -0.054 25702 3522 1 7 . 1 1 22 22 VAL N N 22 130.243 130.243 129.732 0.511 25702 3523 1 7 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.316 -0.054 25702 3524 1 7 . 1 1 22 22 VAL C C 22 174.802 174.802 174.763 0.039 25702 3525 1 7 . 1 1 22 22 VAL CA C 22 61.642 61.642 62.270 -0.628 25702 3526 1 7 . 1 1 22 22 VAL CB C 22 32.824 32.824 32.009 0.815 25702 3527 1 7 . 1 1 22 22 VAL H H 22 8.969 8.969 9.120 -0.151 25702 3528 1 7 . 1 1 23 23 VAL N N 23 125.526 125.526 128.347 -2.821 25702 3529 1 7 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.795 -0.143 25702 3530 1 7 . 1 1 23 23 VAL C C 23 174.086 174.086 174.777 -0.691 25702 3531 1 7 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.603 1.180 25702 3532 1 7 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.244 1.180 25702 3533 1 7 . 1 1 23 23 VAL H H 23 9.555 9.555 9.000 0.555 25702 3534 1 7 . 1 1 24 24 ALA N N 24 130.468 130.468 131.420 -0.952 25702 3535 1 7 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.943 0.060 25702 3536 1 7 . 1 1 24 24 ALA C C 24 175.093 175.093 175.850 -0.757 25702 3537 1 7 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.620 0.489 25702 3538 1 7 . 1 1 24 24 ALA CB C 24 19.543 19.543 20.140 -0.597 25702 3539 1 7 . 1 1 24 24 ALA H H 24 9.004 9.004 9.331 -0.327 25702 3540 1 7 . 1 1 25 25 PHE N N 25 124.289 124.289 126.299 -2.010 25702 3541 1 7 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.628 -0.609 25702 3542 1 7 . 1 1 25 25 PHE C C 25 174.794 174.794 174.811 -0.017 25702 3543 1 7 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.872 1.748 25702 3544 1 7 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.124 -1.359 25702 3545 1 7 . 1 1 25 25 PHE H H 25 9.455 9.455 9.248 0.207 25702 3546 1 7 . 1 1 26 26 TYR N N 26 120.967 120.967 120.680 0.287 25702 3547 1 7 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.871 0.480 25702 3548 1 7 . 1 1 26 26 TYR C C 26 171.352 171.352 172.520 -1.168 25702 3549 1 7 . 1 1 26 26 TYR CA C 26 54.831 54.831 56.100 -1.269 25702 3550 1 7 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.442 2.492 25702 3551 1 7 . 1 1 26 26 TYR H H 26 8.908 8.908 8.313 0.595 25702 3552 1 7 . 1 1 27 27 ALA N N 27 119.133 119.133 120.780 -1.647 25702 3553 1 7 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.989 -0.430 25702 3554 1 7 . 1 1 27 27 ALA C C 27 179.092 179.092 178.077 1.015 25702 3555 1 7 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.972 0.182 25702 3556 1 7 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.863 1.087 25702 3557 1 7 . 1 1 27 27 ALA H H 27 6.962 6.962 8.380 -1.418 25702 3558 1 7 . 1 1 28 28 THR N N 28 116.784 116.784 117.335 -0.551 25702 3559 1 7 . 1 1 28 28 THR HA H 28 3.867 3.867 4.196 -0.329 25702 3560 1 7 . 1 1 28 28 THR C C 28 174.957 174.957 175.634 -0.677 25702 3561 1 7 . 1 1 28 28 THR CA C 28 64.820 64.820 64.642 0.178 25702 3562 1 7 . 1 1 28 28 THR CB C 28 69.197 69.197 69.128 0.069 25702 3563 1 7 . 1 1 28 28 THR H H 28 10.053 10.053 9.522 0.531 25702 3564 1 7 . 1 1 29 29 TRP N N 29 114.763 114.763 118.491 -3.728 25702 3565 1 7 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.758 -0.236 25702 3566 1 7 . 1 1 29 29 TRP C C 29 175.478 175.478 176.033 -0.555 25702 3567 1 7 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.526 -2.021 25702 3568 1 7 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.646 0.698 25702 3569 1 7 . 1 1 29 29 TRP H H 29 6.495 6.495 7.540 -1.045 25702 3570 1 7 . 1 1 30 30 CYS N N 30 122.729 122.729 121.222 1.507 25702 3571 1 7 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.479 0.012 25702 3572 1 7 . 1 1 30 30 CYS CA C 30 58.502 58.502 59.228 -0.726 25702 3573 1 7 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.877 -2.229 25702 3574 1 7 . 1 1 30 30 CYS H H 30 6.484 6.484 7.205 -0.721 25702 3575 1 7 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.107 -0.147 25702 3576 1 7 . 1 1 33 33 CYS C C 33 176.605 176.605 175.667 0.938 25702 3577 1 7 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.716 2.847 25702 3578 1 7 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.237 0.990 25702 3579 1 7 . 1 1 34 34 LYS N N 34 120.638 120.638 119.701 0.937 25702 3580 1 7 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.909 0.013 25702 3581 1 7 . 1 1 34 34 LYS C C 34 178.623 178.623 177.484 1.139 25702 3582 1 7 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.134 0.988 25702 3583 1 7 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.613 0.574 25702 3584 1 7 . 1 1 34 34 LYS H H 34 7.828 7.828 7.205 0.623 25702 3585 1 7 . 1 1 35 35 MET N N 35 115.754 115.754 118.094 -2.340 25702 3586 1 7 . 1 1 35 35 MET HA H 35 4.230 4.230 4.294 -0.064 25702 3587 1 7 . 1 1 35 35 MET C C 35 177.927 177.927 177.407 0.520 25702 3588 1 7 . 1 1 35 35 MET CA C 35 56.931 56.931 56.121 0.810 25702 3589 1 7 . 1 1 35 35 MET CB C 35 32.038 32.038 32.958 -0.920 25702 3590 1 7 . 1 1 35 35 MET H H 35 7.612 7.612 7.475 0.137 25702 3591 1 7 . 1 1 36 36 ILE N N 36 114.905 114.905 118.965 -4.060 25702 3592 1 7 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.783 0.469 25702 3593 1 7 . 1 1 36 36 ILE C C 36 176.681 176.681 177.251 -0.570 25702 3594 1 7 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.063 -1.920 25702 3595 1 7 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.016 1.869 25702 3596 1 7 . 1 1 36 36 ILE H H 36 7.399 7.399 7.461 -0.062 25702 3597 1 7 . 1 1 37 37 ALA N N 37 125.154 125.154 122.982 2.172 25702 3598 1 7 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.941 0.138 25702 3599 1 7 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.738 0.333 25702 3600 1 7 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.219 -0.761 25702 3601 1 7 . 1 1 37 37 ALA H H 37 7.587 7.587 7.389 0.198 25702 3602 1 7 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.304 -0.065 25702 3603 1 7 . 1 1 38 38 PRO C C 38 179.456 179.456 178.197 1.259 25702 3604 1 7 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.634 0.553 25702 3605 1 7 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.673 -0.910 25702 3606 1 7 . 1 1 39 39 MET N N 39 117.231 117.231 118.693 -1.462 25702 3607 1 7 . 1 1 39 39 MET HA H 39 3.854 3.854 4.020 -0.166 25702 3608 1 7 . 1 1 39 39 MET C C 39 177.388 177.388 177.486 -0.098 25702 3609 1 7 . 1 1 39 39 MET CA C 39 57.916 57.916 59.093 -1.177 25702 3610 1 7 . 1 1 39 39 MET CB C 39 32.238 32.238 32.417 -0.179 25702 3611 1 7 . 1 1 39 39 MET H H 39 7.051 7.051 7.554 -0.503 25702 3612 1 7 . 1 1 40 40 ILE N N 40 117.419 117.419 118.996 -1.577 25702 3613 1 7 . 1 1 40 40 ILE HA H 40 3.675 3.675 2.136 1.539 25702 3614 1 7 . 1 1 40 40 ILE C C 40 177.699 177.699 177.257 0.442 25702 3615 1 7 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.304 -0.635 25702 3616 1 7 . 1 1 40 40 ILE CB C 40 35.771 35.771 37.786 -2.015 25702 3617 1 7 . 1 1 40 40 ILE H H 40 7.825 7.825 7.217 0.608 25702 3618 1 7 . 1 1 41 41 GLU N N 41 119.014 119.014 118.669 0.345 25702 3619 1 7 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.760 -0.174 25702 3620 1 7 . 1 1 41 41 GLU C C 41 180.065 180.065 178.669 1.396 25702 3621 1 7 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.230 0.178 25702 3622 1 7 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.151 -0.677 25702 3623 1 7 . 1 1 41 41 GLU H H 41 7.475 7.475 7.476 -0.001 25702 3624 1 7 . 1 1 42 42 LYS N N 42 120.988 120.988 119.976 1.012 25702 3625 1 7 . 1 1 42 42 LYS HA H 42 3.917 3.917 4.028 -0.111 25702 3626 1 7 . 1 1 42 42 LYS C C 42 179.895 179.895 178.756 1.139 25702 3627 1 7 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.065 0.969 25702 3628 1 7 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.743 -0.898 25702 3629 1 7 . 1 1 42 42 LYS H H 42 7.402 7.402 7.530 -0.128 25702 3630 1 7 . 1 1 43 43 PHE N N 43 118.946 118.946 118.730 0.216 25702 3631 1 7 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.982 -0.818 25702 3632 1 7 . 1 1 43 43 PHE C C 43 177.806 177.806 177.731 0.075 25702 3633 1 7 . 1 1 43 43 PHE CA C 43 60.022 60.022 58.709 1.313 25702 3634 1 7 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.769 -0.349 25702 3635 1 7 . 1 1 43 43 PHE H H 43 8.270 8.270 7.632 0.638 25702 3636 1 7 . 1 1 44 44 SER N N 44 116.035 116.035 113.108 2.927 25702 3637 1 7 . 1 1 44 44 SER HA H 44 2.873 2.873 4.349 -1.476 25702 3638 1 7 . 1 1 44 44 SER C C 44 175.522 175.522 176.121 -0.599 25702 3639 1 7 . 1 1 44 44 SER CA C 44 60.173 60.173 60.218 -0.045 25702 3640 1 7 . 1 1 44 44 SER CB C 44 61.911 61.911 63.077 -1.166 25702 3641 1 7 . 1 1 44 44 SER H H 44 7.763 7.763 7.683 0.080 25702 3642 1 7 . 1 1 45 45 GLU N N 45 120.563 120.563 121.762 -1.199 25702 3643 1 7 . 1 1 45 45 GLU HA H 45 4.059 4.059 4.014 0.045 25702 3644 1 7 . 1 1 45 45 GLU C C 45 177.798 177.798 177.429 0.369 25702 3645 1 7 . 1 1 45 45 GLU CA C 45 57.303 57.303 59.085 -1.782 25702 3646 1 7 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.590 0.047 25702 3647 1 7 . 1 1 45 45 GLU H H 45 6.888 6.888 7.574 -0.686 25702 3648 1 7 . 1 1 46 46 GLN N N 46 118.400 118.400 116.661 1.739 25702 3649 1 7 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.112 -0.185 25702 3650 1 7 . 1 1 46 46 GLN C C 46 175.422 175.422 176.568 -1.146 25702 3651 1 7 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.241 -0.208 25702 3652 1 7 . 1 1 46 46 GLN CB C 46 29.690 29.690 29.893 -0.203 25702 3653 1 7 . 1 1 46 46 GLN H H 46 7.451 7.451 7.524 -0.073 25702 3654 1 7 . 1 1 47 47 TYR N N 47 115.979 115.979 114.744 1.235 25702 3655 1 7 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.112 -0.129 25702 3656 1 7 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.883 2.201 25702 3657 1 7 . 1 1 47 47 TYR CB C 47 38.074 38.074 37.838 0.236 25702 3658 1 7 . 1 1 47 47 TYR H H 47 7.433 7.433 7.462 -0.029 25702 3659 1 7 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.567 0.144 25702 3660 1 7 . 1 1 48 48 PRO C C 48 177.453 177.453 177.929 -0.476 25702 3661 1 7 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.922 0.372 25702 3662 1 7 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.000 -0.130 25702 3663 1 7 . 1 1 49 49 GLN N N 49 119.035 119.035 118.852 0.183 25702 3664 1 7 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.215 0.145 25702 3665 1 7 . 1 1 49 49 GLN C C 49 174.990 174.990 175.217 -0.227 25702 3666 1 7 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.196 -0.736 25702 3667 1 7 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.697 -0.918 25702 3668 1 7 . 1 1 49 49 GLN H H 49 9.617 9.617 8.509 1.108 25702 3669 1 7 . 1 1 50 50 ALA N N 50 127.008 127.008 120.401 6.607 25702 3670 1 7 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.685 0.362 25702 3671 1 7 . 1 1 50 50 ALA C C 50 175.173 175.173 176.361 -1.188 25702 3672 1 7 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.783 -0.734 25702 3673 1 7 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.468 0.698 25702 3674 1 7 . 1 1 50 50 ALA H H 50 8.170 8.170 7.487 0.683 25702 3675 1 7 . 1 1 51 51 ASP N N 51 120.039 120.039 120.580 -0.541 25702 3676 1 7 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.545 0.560 25702 3677 1 7 . 1 1 51 51 ASP C C 51 174.707 174.707 174.724 -0.017 25702 3678 1 7 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.636 -0.632 25702 3679 1 7 . 1 1 51 51 ASP CB C 51 44.273 44.273 44.275 -0.002 25702 3680 1 7 . 1 1 51 51 ASP H H 51 8.411 8.411 8.854 -0.443 25702 3681 1 7 . 1 1 52 52 PHE N N 52 120.670 120.670 117.379 3.291 25702 3682 1 7 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.085 0.094 25702 3683 1 7 . 1 1 52 52 PHE C C 52 174.633 174.633 173.329 1.304 25702 3684 1 7 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.383 1.329 25702 3685 1 7 . 1 1 52 52 PHE CB C 52 41.874 41.874 40.114 1.760 25702 3686 1 7 . 1 1 52 52 PHE H H 52 8.943 8.943 7.052 1.891 25702 3687 1 7 . 1 1 53 53 TYR N N 53 120.949 120.949 121.275 -0.326 25702 3688 1 7 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.364 0.113 25702 3689 1 7 . 1 1 53 53 TYR C C 53 174.507 174.507 174.772 -0.265 25702 3690 1 7 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.514 -0.801 25702 3691 1 7 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.737 3.105 25702 3692 1 7 . 1 1 53 53 TYR H H 53 9.336 9.336 9.070 0.266 25702 3693 1 7 . 1 1 54 54 LYS N N 54 115.771 115.771 119.700 -3.929 25702 3694 1 7 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.444 0.055 25702 3695 1 7 . 1 1 54 54 LYS C C 54 173.200 173.200 174.129 -0.929 25702 3696 1 7 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.639 -1.144 25702 3697 1 7 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.636 -1.680 25702 3698 1 7 . 1 1 54 54 LYS H H 54 8.451 8.451 8.929 -0.478 25702 3699 1 7 . 1 1 55 55 LEU N N 55 123.037 123.037 118.882 4.155 25702 3700 1 7 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.497 -0.026 25702 3701 1 7 . 1 1 55 55 LEU C C 55 172.053 172.053 173.063 -1.010 25702 3702 1 7 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.421 0.965 25702 3703 1 7 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.020 -0.207 25702 3704 1 7 . 1 1 55 55 LEU H H 55 8.783 8.783 8.711 0.072 25702 3705 1 7 . 1 1 56 56 ASP N N 56 126.250 126.250 123.374 2.876 25702 3706 1 7 . 1 1 56 56 ASP HA H 56 4.157 4.157 4.980 -0.823 25702 3707 1 7 . 1 1 56 56 ASP C C 56 178.219 178.219 177.239 0.980 25702 3708 1 7 . 1 1 56 56 ASP CA C 56 52.242 52.242 53.757 -1.515 25702 3709 1 7 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.953 -1.205 25702 3710 1 7 . 1 1 56 56 ASP H H 56 8.580 8.580 8.360 0.220 25702 3711 1 7 . 1 1 57 57 VAL N N 57 123.015 123.015 123.935 -0.920 25702 3712 1 7 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.182 -0.766 25702 3713 1 7 . 1 1 57 57 VAL C C 57 175.672 175.672 176.626 -0.954 25702 3714 1 7 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.082 0.614 25702 3715 1 7 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.066 -1.063 25702 3716 1 7 . 1 1 57 57 VAL H H 57 8.767 8.767 8.627 0.140 25702 3717 1 7 . 1 1 58 58 ASP N N 58 118.536 118.536 118.698 -0.162 25702 3718 1 7 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.587 0.108 25702 3719 1 7 . 1 1 58 58 ASP C C 58 177.541 177.541 177.619 -0.078 25702 3720 1 7 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.016 -0.857 25702 3721 1 7 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.279 -0.809 25702 3722 1 7 . 1 1 58 58 ASP H H 58 8.653 8.653 7.964 0.689 25702 3723 1 7 . 1 1 59 59 GLU N N 59 119.610 119.610 118.337 1.273 25702 3724 1 7 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.326 0.027 25702 3725 1 7 . 1 1 59 59 GLU C C 59 177.106 177.106 177.143 -0.037 25702 3726 1 7 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.777 -0.408 25702 3727 1 7 . 1 1 59 59 GLU CB C 59 31.700 31.700 31.002 0.698 25702 3728 1 7 . 1 1 59 59 GLU H H 59 7.596 7.596 7.638 -0.042 25702 3729 1 7 . 1 1 60 60 LEU N N 60 121.513 121.513 120.994 0.519 25702 3730 1 7 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.768 0.144 25702 3731 1 7 . 1 1 60 60 LEU C C 60 177.050 177.050 176.857 0.193 25702 3732 1 7 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.791 -0.427 25702 3733 1 7 . 1 1 60 60 LEU CB C 60 41.622 41.622 40.049 1.573 25702 3734 1 7 . 1 1 60 60 LEU H H 60 7.689 7.689 8.426 -0.737 25702 3735 1 7 . 1 1 61 61 GLY N N 61 111.170 111.170 110.403 0.767 25702 3736 1 7 . 1 1 61 61 GLY C C 61 176.313 176.313 175.506 0.807 25702 3737 1 7 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.127 1.096 25702 3738 1 7 . 1 1 61 61 GLY H H 61 8.218 8.218 8.643 -0.425 25702 3739 1 7 . 1 1 62 62 ASP N N 62 119.711 119.711 121.061 -1.350 25702 3740 1 7 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.373 -0.055 25702 3741 1 7 . 1 1 62 62 ASP C C 62 178.935 178.935 178.200 0.735 25702 3742 1 7 . 1 1 62 62 ASP CA C 62 56.679 56.679 57.485 -0.806 25702 3743 1 7 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.142 -0.879 25702 3744 1 7 . 1 1 62 62 ASP H H 62 9.141 9.141 8.591 0.550 25702 3745 1 7 . 1 1 63 63 VAL N N 63 120.511 120.511 119.891 0.620 25702 3746 1 7 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.602 -0.279 25702 3747 1 7 . 1 1 63 63 VAL C C 63 179.266 179.266 177.471 1.795 25702 3748 1 7 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.170 -0.776 25702 3749 1 7 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.790 -0.497 25702 3750 1 7 . 1 1 63 63 VAL H H 63 7.275 7.275 7.629 -0.354 25702 3751 1 7 . 1 1 64 64 ALA N N 64 122.711 122.711 120.882 1.829 25702 3752 1 7 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.983 -0.193 25702 3753 1 7 . 1 1 64 64 ALA C C 64 178.540 178.540 179.822 -1.282 25702 3754 1 7 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.480 0.405 25702 3755 1 7 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.326 -0.509 25702 3756 1 7 . 1 1 64 64 ALA H H 64 7.264 7.264 7.785 -0.520 25702 3757 1 7 . 1 1 65 65 GLN N N 65 117.988 117.988 116.997 0.991 25702 3758 1 7 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.106 -0.049 25702 3759 1 7 . 1 1 65 65 GLN C C 65 180.544 180.544 179.105 1.439 25702 3760 1 7 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.612 1.397 25702 3761 1 7 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.391 -0.090 25702 3762 1 7 . 1 1 65 65 GLN H H 65 8.344 8.344 7.954 0.390 25702 3763 1 7 . 1 1 66 66 LYS N N 66 120.050 120.050 120.514 -0.464 25702 3764 1 7 . 1 1 66 66 LYS HA H 66 4.054 4.054 3.997 0.057 25702 3765 1 7 . 1 1 66 66 LYS C C 66 176.954 176.954 176.838 0.116 25702 3766 1 7 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.391 0.427 25702 3767 1 7 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.061 0.118 25702 3768 1 7 . 1 1 66 66 LYS H H 66 7.971 7.971 7.963 0.008 25702 3769 1 7 . 1 1 67 67 ASN N N 67 114.553 114.553 114.268 0.285 25702 3770 1 7 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.600 0.176 25702 3771 1 7 . 1 1 67 67 ASN C C 67 171.614 171.614 173.895 -2.281 25702 3772 1 7 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.755 1.325 25702 3773 1 7 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.504 1.605 25702 3774 1 7 . 1 1 67 67 ASN H H 67 7.064 7.064 7.296 -0.232 25702 3775 1 7 . 1 1 68 68 GLU N N 68 114.491 114.491 113.782 0.709 25702 3776 1 7 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.890 -0.149 25702 3777 1 7 . 1 1 68 68 GLU C C 68 175.660 175.660 174.597 1.063 25702 3778 1 7 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.055 -0.049 25702 3779 1 7 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.075 -1.103 25702 3780 1 7 . 1 1 68 68 GLU H H 68 7.755 7.755 7.525 0.230 25702 3781 1 7 . 1 1 69 69 VAL N N 69 120.375 120.375 119.037 1.338 25702 3782 1 7 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.293 -0.389 25702 3783 1 7 . 1 1 69 69 VAL C C 69 175.415 175.415 174.590 0.825 25702 3784 1 7 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.539 1.331 25702 3785 1 7 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.416 -1.502 25702 3786 1 7 . 1 1 69 69 VAL H H 69 7.787 7.787 8.048 -0.261 25702 3787 1 7 . 1 1 70 70 SER N N 70 121.558 121.558 124.330 -2.772 25702 3788 1 7 . 1 1 70 70 SER HA H 70 4.488 4.488 4.586 -0.098 25702 3789 1 7 . 1 1 70 70 SER C C 70 172.616 172.616 174.683 -2.067 25702 3790 1 7 . 1 1 70 70 SER CA C 70 57.728 57.728 59.064 -1.336 25702 3791 1 7 . 1 1 70 70 SER CB C 70 64.713 64.713 63.954 0.759 25702 3792 1 7 . 1 1 70 70 SER H H 70 8.565 8.565 8.714 -0.149 25702 3793 1 7 . 1 1 71 71 ALA N N 71 125.848 125.848 124.771 1.077 25702 3794 1 7 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.547 0.032 25702 3795 1 7 . 1 1 71 71 ALA C C 71 175.531 175.531 175.920 -0.389 25702 3796 1 7 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.824 -0.332 25702 3797 1 7 . 1 1 71 71 ALA CB C 71 21.362 21.362 19.871 1.491 25702 3798 1 7 . 1 1 71 71 ALA H H 71 7.861 7.861 7.954 -0.093 25702 3799 1 7 . 1 1 72 72 MET N N 72 118.991 118.991 116.683 2.308 25702 3800 1 7 . 1 1 72 72 MET HA H 72 4.879 4.879 4.966 -0.087 25702 3801 1 7 . 1 1 72 72 MET CA C 72 51.907 51.907 52.896 -0.989 25702 3802 1 7 . 1 1 72 72 MET CB C 72 35.595 35.595 34.994 0.601 25702 3803 1 7 . 1 1 72 72 MET H H 72 8.553 8.553 8.254 0.299 25702 3804 1 7 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.840 0.166 25702 3805 1 7 . 1 1 73 73 PRO C C 73 176.015 176.015 175.905 0.110 25702 3806 1 7 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.554 0.475 25702 3807 1 7 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.264 1.101 25702 3808 1 7 . 1 1 74 74 THR N N 74 114.577 114.577 116.760 -2.183 25702 3809 1 7 . 1 1 74 74 THR HA H 74 5.013 5.013 5.016 -0.003 25702 3810 1 7 . 1 1 74 74 THR C C 74 171.538 171.538 173.297 -1.759 25702 3811 1 7 . 1 1 74 74 THR CA C 74 63.556 63.556 61.945 1.611 25702 3812 1 7 . 1 1 74 74 THR CB C 74 73.238 73.238 72.065 1.173 25702 3813 1 7 . 1 1 74 74 THR H H 74 7.772 7.772 9.036 -1.264 25702 3814 1 7 . 1 1 75 75 LEU N N 75 131.086 131.086 126.445 4.641 25702 3815 1 7 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.505 -0.019 25702 3816 1 7 . 1 1 75 75 LEU C C 75 174.827 174.827 175.161 -0.334 25702 3817 1 7 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.137 -0.815 25702 3818 1 7 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.157 -0.008 25702 3819 1 7 . 1 1 75 75 LEU H H 75 9.517 9.517 9.386 0.131 25702 3820 1 7 . 1 1 76 76 LEU N N 76 123.573 123.573 125.161 -1.588 25702 3821 1 7 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.892 0.011 25702 3822 1 7 . 1 1 76 76 LEU C C 76 174.229 174.229 175.032 -0.803 25702 3823 1 7 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.813 -0.326 25702 3824 1 7 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.322 0.748 25702 3825 1 7 . 1 1 76 76 LEU H H 76 9.214 9.214 9.162 0.052 25702 3826 1 7 . 1 1 77 77 LEU N N 77 123.032 123.032 125.669 -2.637 25702 3827 1 7 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.587 -0.339 25702 3828 1 7 . 1 1 77 77 LEU C C 77 174.961 174.961 175.934 -0.973 25702 3829 1 7 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.573 1.156 25702 3830 1 7 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.935 -0.244 25702 3831 1 7 . 1 1 77 77 LEU H H 77 8.189 8.189 9.102 -0.913 25702 3832 1 7 . 1 1 78 78 PHE N N 78 121.929 121.929 122.651 -0.722 25702 3833 1 7 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.928 0.469 25702 3834 1 7 . 1 1 78 78 PHE C C 78 174.427 174.427 174.127 0.300 25702 3835 1 7 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.865 -0.484 25702 3836 1 7 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.175 0.143 25702 3837 1 7 . 1 1 78 78 PHE H H 78 9.748 9.748 9.165 0.583 25702 3838 1 7 . 1 1 79 79 LYS N N 79 117.221 117.221 120.286 -3.065 25702 3839 1 7 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.209 -0.396 25702 3840 1 7 . 1 1 79 79 LYS C C 79 177.709 177.709 176.184 1.525 25702 3841 1 7 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.333 2.089 25702 3842 1 7 . 1 1 79 79 LYS CB C 79 36.270 36.270 36.073 0.197 25702 3843 1 7 . 1 1 79 79 LYS H H 79 8.741 8.741 9.346 -0.605 25702 3844 1 7 . 1 1 80 80 ASN N N 80 125.563 125.563 124.682 0.881 25702 3845 1 7 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.376 -0.071 25702 3846 1 7 . 1 1 80 80 ASN C C 80 175.395 175.395 175.484 -0.089 25702 3847 1 7 . 1 1 80 80 ASN CA C 80 54.469 54.469 54.165 0.304 25702 3848 1 7 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.094 1.577 25702 3849 1 7 . 1 1 80 80 ASN H H 80 8.890 8.890 9.041 -0.151 25702 3850 1 7 . 1 1 81 81 GLY N N 81 102.976 102.976 105.040 -2.064 25702 3851 1 7 . 1 1 81 81 GLY C C 81 173.223 173.223 173.712 -0.489 25702 3852 1 7 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.332 0.313 25702 3853 1 7 . 1 1 81 81 GLY H H 81 8.640 8.640 8.875 -0.235 25702 3854 1 7 . 1 1 82 82 LYS N N 82 119.280 119.280 118.972 0.308 25702 3855 1 7 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.818 -0.095 25702 3856 1 7 . 1 1 82 82 LYS C C 82 174.897 174.897 174.788 0.109 25702 3857 1 7 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.080 0.275 25702 3858 1 7 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.468 -0.141 25702 3859 1 7 . 1 1 82 82 LYS H H 82 7.583 7.583 7.840 -0.257 25702 3860 1 7 . 1 1 83 83 GLU N N 83 125.460 125.460 119.947 5.513 25702 3861 1 7 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.484 0.375 25702 3862 1 7 . 1 1 83 83 GLU C C 83 177.249 177.249 177.198 0.051 25702 3863 1 7 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.538 -0.579 25702 3864 1 7 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.279 0.233 25702 3865 1 7 . 1 1 83 83 GLU H H 83 8.818 8.818 8.695 0.123 25702 3866 1 7 . 1 1 84 84 VAL N N 84 121.989 121.989 112.632 9.357 25702 3867 1 7 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.359 0.063 25702 3868 1 7 . 1 1 84 84 VAL C C 84 175.625 175.625 175.038 0.587 25702 3869 1 7 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.785 -0.702 25702 3870 1 7 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.367 -1.276 25702 3871 1 7 . 1 1 84 84 VAL H H 84 9.281 9.281 8.216 1.065 25702 3872 1 7 . 1 1 85 85 ALA N N 85 121.284 121.284 122.687 -1.403 25702 3873 1 7 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.579 -0.180 25702 3874 1 7 . 1 1 85 85 ALA C C 85 173.805 173.805 174.393 -0.588 25702 3875 1 7 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.032 0.624 25702 3876 1 7 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.886 0.101 25702 3877 1 7 . 1 1 85 85 ALA H H 85 7.564 7.564 7.576 -0.012 25702 3878 1 7 . 1 1 86 86 LYS N N 86 119.558 119.558 122.412 -2.854 25702 3879 1 7 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.374 -0.428 25702 3880 1 7 . 1 1 86 86 LYS C C 86 174.999 174.999 174.957 0.042 25702 3881 1 7 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.243 0.096 25702 3882 1 7 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.818 -0.213 25702 3883 1 7 . 1 1 86 86 LYS H H 86 8.000 8.000 8.293 -0.293 25702 3884 1 7 . 1 1 87 87 VAL N N 87 126.118 126.118 121.100 5.018 25702 3885 1 7 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.657 0.046 25702 3886 1 7 . 1 1 87 87 VAL C C 87 174.516 174.516 174.677 -0.161 25702 3887 1 7 . 1 1 87 87 VAL CA C 87 61.379 61.379 60.132 1.247 25702 3888 1 7 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.217 -1.030 25702 3889 1 7 . 1 1 87 87 VAL H H 87 9.198 9.198 9.272 -0.074 25702 3890 1 7 . 1 1 88 88 VAL N N 88 128.549 128.549 118.043 10.506 25702 3891 1 7 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.727 -0.273 25702 3892 1 7 . 1 1 88 88 VAL C C 88 176.142 176.142 175.226 0.916 25702 3893 1 7 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.052 0.930 25702 3894 1 7 . 1 1 88 88 VAL CB C 88 32.641 32.641 31.478 1.163 25702 3895 1 7 . 1 1 88 88 VAL H H 88 9.031 9.031 8.552 0.479 25702 3896 1 7 . 1 1 89 89 GLY N N 89 114.516 114.516 107.728 6.788 25702 3897 1 7 . 1 1 89 89 GLY C C 89 173.063 173.063 173.419 -0.356 25702 3898 1 7 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.253 -1.747 25702 3899 1 7 . 1 1 89 89 GLY H H 89 8.379 8.379 7.548 0.831 25702 3900 1 7 . 1 1 90 90 ALA N N 90 122.292 122.292 124.637 -2.345 25702 3901 1 7 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.213 -0.018 25702 3902 1 7 . 1 1 90 90 ALA C C 90 174.897 174.897 176.906 -2.009 25702 3903 1 7 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.763 -2.324 25702 3904 1 7 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.603 -0.722 25702 3905 1 7 . 1 1 90 90 ALA H H 90 8.592 8.592 8.461 0.131 25702 3906 1 7 . 1 1 91 91 ASN N N 91 120.220 120.220 124.016 -3.796 25702 3907 1 7 . 1 1 91 91 ASN HA H 91 5.111 5.111 4.995 0.116 25702 3908 1 7 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.715 0.297 25702 3909 1 7 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.603 -0.625 25702 3910 1 7 . 1 1 91 91 ASN H H 91 7.386 7.386 8.563 -1.177 25702 3911 1 7 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.204 -0.176 25702 3912 1 7 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.617 -4.520 25702 3913 1 7 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.264 -0.169 25702 3914 1 7 . 1 1 93 93 ALA C C 93 180.205 180.205 179.725 0.480 25702 3915 1 7 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.733 0.433 25702 3916 1 7 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.052 -0.071 25702 3917 1 7 . 1 1 94 94 ALA N N 94 120.499 120.499 122.021 -1.522 25702 3918 1 7 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.196 -0.135 25702 3919 1 7 . 1 1 94 94 ALA C C 94 180.917 180.917 179.934 0.983 25702 3920 1 7 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.871 -0.611 25702 3921 1 7 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.431 0.367 25702 3922 1 7 . 1 1 94 94 ALA H H 94 7.223 7.223 8.357 -1.134 25702 3923 1 7 . 1 1 95 95 ILE N N 95 119.397 119.397 117.314 2.083 25702 3924 1 7 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.800 -0.448 25702 3925 1 7 . 1 1 95 95 ILE C C 95 176.217 176.217 177.470 -1.253 25702 3926 1 7 . 1 1 95 95 ILE CA C 95 65.953 65.953 62.178 3.775 25702 3927 1 7 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.823 1.557 25702 3928 1 7 . 1 1 95 95 ILE H H 95 7.772 7.772 8.661 -0.889 25702 3929 1 7 . 1 1 96 96 LYS N N 96 118.919 118.919 120.983 -2.064 25702 3930 1 7 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.842 -0.825 25702 3931 1 7 . 1 1 96 96 LYS C C 96 177.824 177.824 179.472 -1.648 25702 3932 1 7 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.373 1.253 25702 3933 1 7 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.141 0.024 25702 3934 1 7 . 1 1 96 96 LYS H H 96 8.112 8.112 7.730 0.382 25702 3935 1 7 . 1 1 97 97 GLN N N 97 115.480 115.480 118.781 -3.301 25702 3936 1 7 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.035 -0.183 25702 3937 1 7 . 1 1 97 97 GLN C C 97 178.014 178.014 177.803 0.211 25702 3938 1 7 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.464 0.119 25702 3939 1 7 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.661 -0.317 25702 3940 1 7 . 1 1 97 97 GLN H H 97 7.686 7.686 8.139 -0.453 25702 3941 1 7 . 1 1 98 98 ALA N N 98 120.911 120.911 123.480 -2.569 25702 3942 1 7 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.974 -0.044 25702 3943 1 7 . 1 1 98 98 ALA C C 98 179.544 179.544 179.621 -0.077 25702 3944 1 7 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.141 -0.392 25702 3945 1 7 . 1 1 98 98 ALA CB C 98 17.915 17.915 17.993 -0.078 25702 3946 1 7 . 1 1 98 98 ALA H H 98 7.446 7.446 7.389 0.057 25702 3947 1 7 . 1 1 99 99 ILE N N 99 117.780 117.780 117.850 -0.070 25702 3948 1 7 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.597 -0.550 25702 3949 1 7 . 1 1 99 99 ILE C C 99 177.087 177.087 178.147 -1.060 25702 3950 1 7 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.671 2.788 25702 3951 1 7 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.951 2.181 25702 3952 1 7 . 1 1 99 99 ILE H H 99 7.735 7.735 8.209 -0.474 25702 3953 1 7 . 1 1 100 100 ALA N N 100 119.516 119.516 120.731 -1.215 25702 3954 1 7 . 1 1 100 100 ALA C C 100 180.431 180.431 178.458 1.973 25702 3955 1 7 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.002 1.243 25702 3956 1 7 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.099 0.194 25702 3957 1 7 . 1 1 100 100 ALA H H 100 8.214 8.214 7.329 0.885 25702 3958 1 7 . 1 1 101 101 ALA N N 101 115.674 115.674 120.240 -4.566 25702 3959 1 7 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.083 -0.013 25702 3960 1 7 . 1 1 101 101 ALA C C 101 178.213 178.213 178.732 -0.519 25702 3961 1 7 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.836 0.048 25702 3962 1 7 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.516 -0.473 25702 3963 1 7 . 1 1 101 101 ALA H H 101 7.619 7.619 7.440 0.179 25702 3964 1 7 . 1 1 102 102 ASN N N 102 115.986 115.986 115.891 0.095 25702 3965 1 7 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.607 0.177 25702 3966 1 7 . 1 1 102 102 ASN C C 102 172.740 172.740 175.109 -2.369 25702 3967 1 7 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.181 0.118 25702 3968 1 7 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.648 3.240 25702 3969 1 7 . 1 1 102 102 ASN H H 102 7.116 7.116 8.253 -1.137 25702 3970 1 8 . 1 1 2 2 VAL N N 2 125.020 125.020 120.269 4.751 25702 3971 1 8 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.243 -0.165 25702 3972 1 8 . 1 1 2 2 VAL C C 2 175.261 175.261 175.247 0.014 25702 3973 1 8 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.339 -0.290 25702 3974 1 8 . 1 1 2 2 VAL CB C 2 32.667 32.667 34.692 -2.025 25702 3975 1 8 . 1 1 2 2 VAL H H 2 8.590 8.590 8.341 0.249 25702 3976 1 8 . 1 1 3 3 THR N N 3 125.759 125.759 124.853 0.906 25702 3977 1 8 . 1 1 3 3 THR HA H 3 4.138 4.138 4.326 -0.188 25702 3978 1 8 . 1 1 3 3 THR C C 3 173.129 173.129 172.974 0.155 25702 3979 1 8 . 1 1 3 3 THR CA C 3 62.804 62.804 62.844 -0.040 25702 3980 1 8 . 1 1 3 3 THR CB C 3 69.547 69.547 69.439 0.108 25702 3981 1 8 . 1 1 3 3 THR H H 3 7.778 7.778 8.632 -0.854 25702 3982 1 8 . 1 1 4 4 GLN N N 4 127.746 127.746 123.183 4.563 25702 3983 1 8 . 1 1 4 4 GLN HA H 4 4.739 4.739 5.021 -0.282 25702 3984 1 8 . 1 1 4 4 GLN C C 4 176.754 176.754 175.562 1.192 25702 3985 1 8 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.051 -0.616 25702 3986 1 8 . 1 1 4 4 GLN CB C 4 29.530 29.530 30.375 -0.845 25702 3987 1 8 . 1 1 4 4 GLN H H 4 8.975 8.975 8.382 0.593 25702 3988 1 8 . 1 1 5 5 PHE N N 5 126.242 126.242 125.226 1.016 25702 3989 1 8 . 1 1 5 5 PHE HA H 5 4.817 4.817 5.010 -0.193 25702 3990 1 8 . 1 1 5 5 PHE C C 5 176.102 176.102 176.018 0.084 25702 3991 1 8 . 1 1 5 5 PHE CA C 5 58.528 58.528 55.538 2.990 25702 3992 1 8 . 1 1 5 5 PHE CB C 5 40.520 40.520 41.289 -0.769 25702 3993 1 8 . 1 1 5 5 PHE H H 5 8.422 8.422 8.404 0.018 25702 3994 1 8 . 1 1 6 6 LYS N N 6 119.482 119.482 117.857 1.625 25702 3995 1 8 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.561 0.060 25702 3996 1 8 . 1 1 6 6 LYS C C 6 176.994 176.994 175.461 1.533 25702 3997 1 8 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.037 -0.022 25702 3998 1 8 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.970 -0.838 25702 3999 1 8 . 1 1 6 6 LYS H H 6 9.822 9.822 9.574 0.248 25702 4000 1 8 . 1 1 7 7 THR N N 7 107.464 107.464 108.883 -1.419 25702 4001 1 8 . 1 1 7 7 THR HA H 7 4.597 4.597 4.576 0.021 25702 4002 1 8 . 1 1 7 7 THR C C 7 173.921 173.921 174.514 -0.593 25702 4003 1 8 . 1 1 7 7 THR CA C 7 59.155 59.155 60.319 -1.164 25702 4004 1 8 . 1 1 7 7 THR CB C 7 72.660 72.660 72.601 0.059 25702 4005 1 8 . 1 1 7 7 THR H H 7 7.484 7.484 7.223 0.261 25702 4006 1 8 . 1 1 8 8 ALA N N 8 123.987 123.987 124.378 -0.391 25702 4007 1 8 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.057 -0.348 25702 4008 1 8 . 1 1 8 8 ALA C C 8 179.409 179.409 178.441 0.968 25702 4009 1 8 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.516 0.486 25702 4010 1 8 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.412 -0.322 25702 4011 1 8 . 1 1 8 8 ALA H H 8 9.031 9.031 8.820 0.211 25702 4012 1 8 . 1 1 9 9 SER N N 9 112.387 112.387 114.467 -2.080 25702 4013 1 8 . 1 1 9 9 SER HA H 9 4.127 4.127 3.973 0.154 25702 4014 1 8 . 1 1 9 9 SER C C 9 177.070 177.070 176.689 0.381 25702 4015 1 8 . 1 1 9 9 SER CA C 9 61.109 61.109 61.592 -0.483 25702 4016 1 8 . 1 1 9 9 SER CB C 9 62.226 62.226 62.774 -0.548 25702 4017 1 8 . 1 1 9 9 SER H H 9 8.161 8.161 8.159 0.002 25702 4018 1 8 . 1 1 10 10 GLU N N 10 121.941 121.941 122.113 -0.172 25702 4019 1 8 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.781 0.070 25702 4020 1 8 . 1 1 10 10 GLU C C 10 178.776 178.776 178.150 0.626 25702 4021 1 8 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.003 -0.320 25702 4022 1 8 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.315 1.689 25702 4023 1 8 . 1 1 10 10 GLU H H 10 7.522 7.522 7.473 0.049 25702 4024 1 8 . 1 1 11 11 PHE N N 11 120.541 120.541 119.314 1.227 25702 4025 1 8 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.847 -0.001 25702 4026 1 8 . 1 1 11 11 PHE C C 11 174.944 174.944 177.001 -2.057 25702 4027 1 8 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.461 0.247 25702 4028 1 8 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.887 -1.149 25702 4029 1 8 . 1 1 11 11 PHE H H 11 6.624 6.624 7.123 -0.499 25702 4030 1 8 . 1 1 12 12 ASP N N 12 117.847 117.847 118.152 -0.305 25702 4031 1 8 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.193 -0.362 25702 4032 1 8 . 1 1 12 12 ASP C C 12 178.767 178.767 178.542 0.225 25702 4033 1 8 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.319 -0.101 25702 4034 1 8 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.783 -0.485 25702 4035 1 8 . 1 1 12 12 ASP H H 12 7.637 7.637 8.334 -0.697 25702 4036 1 8 . 1 1 13 13 SER N N 13 111.904 111.904 115.558 -3.654 25702 4037 1 8 . 1 1 13 13 SER HA H 13 4.034 4.034 4.079 -0.045 25702 4038 1 8 . 1 1 13 13 SER C C 13 176.341 176.341 175.552 0.789 25702 4039 1 8 . 1 1 13 13 SER CA C 13 60.857 60.857 61.567 -0.710 25702 4040 1 8 . 1 1 13 13 SER CB C 13 63.144 63.144 62.918 0.226 25702 4041 1 8 . 1 1 13 13 SER H H 13 7.539 7.539 8.219 -0.680 25702 4042 1 8 . 1 1 14 14 ALA N N 14 123.793 123.793 121.079 2.714 25702 4043 1 8 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.028 -0.001 25702 4044 1 8 . 1 1 14 14 ALA C C 14 180.358 180.358 178.761 1.597 25702 4045 1 8 . 1 1 14 14 ALA CA C 14 54.840 54.840 53.792 1.048 25702 4046 1 8 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.486 0.340 25702 4047 1 8 . 1 1 14 14 ALA H H 14 7.647 7.647 7.242 0.405 25702 4048 1 8 . 1 1 15 15 ILE N N 15 106.782 106.782 118.145 -11.363 25702 4049 1 8 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.842 -0.122 25702 4050 1 8 . 1 1 15 15 ILE C C 15 176.012 176.012 177.338 -1.326 25702 4051 1 8 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.141 2.354 25702 4052 1 8 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.768 1.027 25702 4053 1 8 . 1 1 15 15 ILE H H 15 7.146 7.146 7.199 -0.053 25702 4054 1 8 . 1 1 16 16 ALA N N 16 122.248 122.248 120.237 2.011 25702 4055 1 8 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.205 -0.174 25702 4056 1 8 . 1 1 16 16 ALA C C 16 177.072 177.072 176.287 0.785 25702 4057 1 8 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.352 -0.602 25702 4058 1 8 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.157 0.213 25702 4059 1 8 . 1 1 16 16 ALA H H 16 6.627 6.627 7.455 -0.828 25702 4060 1 8 . 1 1 17 17 GLN N N 17 115.254 115.254 117.076 -1.822 25702 4061 1 8 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.431 -0.212 25702 4062 1 8 . 1 1 17 17 GLN CA C 17 55.898 55.898 54.133 1.765 25702 4063 1 8 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.805 4.159 25702 4064 1 8 . 1 1 17 17 GLN H H 17 7.136 7.136 7.390 -0.254 25702 4065 1 8 . 1 1 18 18 ASP N N 18 122.840 122.840 123.266 -0.426 25702 4066 1 8 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.590 -0.058 25702 4067 1 8 . 1 1 18 18 ASP C C 18 175.348 175.348 175.527 -0.179 25702 4068 1 8 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.085 -0.575 25702 4069 1 8 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.311 -0.261 25702 4070 1 8 . 1 1 18 18 ASP H H 18 8.644 8.644 8.612 0.032 25702 4071 1 8 . 1 1 19 19 LYS N N 19 118.503 118.503 118.414 0.089 25702 4072 1 8 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.548 -0.165 25702 4073 1 8 . 1 1 19 19 LYS C C 19 173.289 173.289 174.624 -1.335 25702 4074 1 8 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.130 0.591 25702 4075 1 8 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.795 -0.579 25702 4076 1 8 . 1 1 19 19 LYS H H 19 7.939 7.939 7.823 0.116 25702 4077 1 8 . 1 1 20 20 LEU N N 20 120.813 120.813 124.095 -3.282 25702 4078 1 8 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.932 -0.223 25702 4079 1 8 . 1 1 20 20 LEU C C 20 174.429 174.429 175.452 -1.023 25702 4080 1 8 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.285 1.502 25702 4081 1 8 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.767 -0.206 25702 4082 1 8 . 1 1 20 20 LEU H H 20 8.625 8.625 8.803 -0.178 25702 4083 1 8 . 1 1 21 21 VAL N N 21 128.813 128.813 127.599 1.214 25702 4084 1 8 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.362 -0.097 25702 4085 1 8 . 1 1 21 21 VAL C C 21 174.618 174.618 174.662 -0.044 25702 4086 1 8 . 1 1 21 21 VAL CA C 21 61.583 61.583 60.861 0.722 25702 4087 1 8 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.662 1.915 25702 4088 1 8 . 1 1 21 21 VAL H H 21 9.251 9.251 8.985 0.266 25702 4089 1 8 . 1 1 22 22 VAL N N 22 130.243 130.243 127.923 2.320 25702 4090 1 8 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.518 -0.255 25702 4091 1 8 . 1 1 22 22 VAL C C 22 174.802 174.802 174.844 -0.042 25702 4092 1 8 . 1 1 22 22 VAL CA C 22 61.642 61.642 60.903 0.739 25702 4093 1 8 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.739 1.085 25702 4094 1 8 . 1 1 22 22 VAL H H 22 8.969 8.969 9.176 -0.207 25702 4095 1 8 . 1 1 23 23 VAL N N 23 125.526 125.526 127.653 -2.127 25702 4096 1 8 . 1 1 23 23 VAL HA H 23 4.652 4.652 5.024 -0.372 25702 4097 1 8 . 1 1 23 23 VAL C C 23 174.086 174.086 174.848 -0.762 25702 4098 1 8 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.404 1.379 25702 4099 1 8 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.994 0.430 25702 4100 1 8 . 1 1 23 23 VAL H H 23 9.555 9.555 9.150 0.405 25702 4101 1 8 . 1 1 24 24 ALA N N 24 130.468 130.468 130.378 0.090 25702 4102 1 8 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.951 0.052 25702 4103 1 8 . 1 1 24 24 ALA C C 24 175.093 175.093 175.923 -0.830 25702 4104 1 8 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.741 0.368 25702 4105 1 8 . 1 1 24 24 ALA CB C 24 19.543 19.543 20.017 -0.474 25702 4106 1 8 . 1 1 24 24 ALA H H 24 9.004 9.004 9.536 -0.532 25702 4107 1 8 . 1 1 25 25 PHE N N 25 124.289 124.289 126.717 -2.428 25702 4108 1 8 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.566 -0.547 25702 4109 1 8 . 1 1 25 25 PHE C C 25 174.794 174.794 174.773 0.021 25702 4110 1 8 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.628 1.992 25702 4111 1 8 . 1 1 25 25 PHE CB C 25 39.765 39.765 40.340 -0.575 25702 4112 1 8 . 1 1 25 25 PHE H H 25 9.455 9.455 9.482 -0.027 25702 4113 1 8 . 1 1 26 26 TYR N N 26 120.967 120.967 121.177 -0.210 25702 4114 1 8 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.934 0.417 25702 4115 1 8 . 1 1 26 26 TYR C C 26 171.352 171.352 172.561 -1.209 25702 4116 1 8 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.090 -0.259 25702 4117 1 8 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.511 2.423 25702 4118 1 8 . 1 1 26 26 TYR H H 26 8.908 8.908 8.583 0.325 25702 4119 1 8 . 1 1 27 27 ALA N N 27 119.133 119.133 119.854 -0.721 25702 4120 1 8 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.636 -0.077 25702 4121 1 8 . 1 1 27 27 ALA C C 27 179.092 179.092 177.300 1.792 25702 4122 1 8 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.612 0.542 25702 4123 1 8 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.872 1.078 25702 4124 1 8 . 1 1 27 27 ALA H H 27 6.962 6.962 7.967 -1.005 25702 4125 1 8 . 1 1 28 28 THR N N 28 116.784 116.784 117.364 -0.580 25702 4126 1 8 . 1 1 28 28 THR HA H 28 3.867 3.867 4.139 -0.272 25702 4127 1 8 . 1 1 28 28 THR C C 28 174.957 174.957 175.190 -0.233 25702 4128 1 8 . 1 1 28 28 THR CA C 28 64.820 64.820 64.696 0.124 25702 4129 1 8 . 1 1 28 28 THR CB C 28 69.197 69.197 68.921 0.276 25702 4130 1 8 . 1 1 28 28 THR H H 28 10.053 10.053 8.679 1.374 25702 4131 1 8 . 1 1 29 29 TRP N N 29 114.763 114.763 119.410 -4.647 25702 4132 1 8 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.723 -0.201 25702 4133 1 8 . 1 1 29 29 TRP C C 29 175.478 175.478 175.663 -0.185 25702 4134 1 8 . 1 1 29 29 TRP CA C 29 53.505 53.505 56.232 -2.727 25702 4135 1 8 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.939 0.405 25702 4136 1 8 . 1 1 29 29 TRP H H 29 6.495 6.495 7.385 -0.890 25702 4137 1 8 . 1 1 30 30 CYS N N 30 122.729 122.729 119.065 3.664 25702 4138 1 8 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.808 -0.317 25702 4139 1 8 . 1 1 30 30 CYS CA C 30 58.502 58.502 57.089 1.413 25702 4140 1 8 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.990 -2.342 25702 4141 1 8 . 1 1 30 30 CYS H H 30 6.484 6.484 6.951 -0.467 25702 4142 1 8 . 1 1 33 33 CYS HA H 33 3.960 3.960 3.999 -0.039 25702 4143 1 8 . 1 1 33 33 CYS C C 33 176.605 176.605 175.731 0.874 25702 4144 1 8 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.622 1.941 25702 4145 1 8 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.414 0.813 25702 4146 1 8 . 1 1 34 34 LYS N N 34 120.638 120.638 119.862 0.776 25702 4147 1 8 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.913 0.009 25702 4148 1 8 . 1 1 34 34 LYS C C 34 178.623 178.623 177.395 1.228 25702 4149 1 8 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.226 0.896 25702 4150 1 8 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.407 0.780 25702 4151 1 8 . 1 1 34 34 LYS H H 34 7.828 7.828 7.335 0.492 25702 4152 1 8 . 1 1 35 35 MET N N 35 115.754 115.754 118.961 -3.207 25702 4153 1 8 . 1 1 35 35 MET HA H 35 4.230 4.230 4.351 -0.121 25702 4154 1 8 . 1 1 35 35 MET C C 35 177.927 177.927 177.257 0.670 25702 4155 1 8 . 1 1 35 35 MET CA C 35 56.931 56.931 56.478 0.453 25702 4156 1 8 . 1 1 35 35 MET CB C 35 32.038 32.038 33.334 -1.296 25702 4157 1 8 . 1 1 35 35 MET H H 35 7.612 7.612 7.598 0.014 25702 4158 1 8 . 1 1 36 36 ILE N N 36 114.905 114.905 119.719 -4.814 25702 4159 1 8 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.860 0.392 25702 4160 1 8 . 1 1 36 36 ILE C C 36 176.681 176.681 177.181 -0.500 25702 4161 1 8 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.938 -1.795 25702 4162 1 8 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.268 1.617 25702 4163 1 8 . 1 1 36 36 ILE H H 36 7.399 7.399 7.435 -0.036 25702 4164 1 8 . 1 1 37 37 ALA N N 37 125.154 125.154 123.406 1.748 25702 4165 1 8 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.959 0.120 25702 4166 1 8 . 1 1 37 37 ALA CA C 37 57.071 57.071 57.189 -0.118 25702 4167 1 8 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.032 -0.574 25702 4168 1 8 . 1 1 37 37 ALA H H 37 7.587 7.587 7.618 -0.031 25702 4169 1 8 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.303 -0.064 25702 4170 1 8 . 1 1 38 38 PRO C C 38 179.456 179.456 178.312 1.144 25702 4171 1 8 . 1 1 38 38 PRO CA C 38 65.187 65.187 65.298 -0.111 25702 4172 1 8 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.476 -0.713 25702 4173 1 8 . 1 1 39 39 MET N N 39 117.231 117.231 118.366 -1.135 25702 4174 1 8 . 1 1 39 39 MET HA H 39 3.854 3.854 4.197 -0.343 25702 4175 1 8 . 1 1 39 39 MET C C 39 177.388 177.388 178.275 -0.887 25702 4176 1 8 . 1 1 39 39 MET CA C 39 57.916 57.916 58.234 -0.318 25702 4177 1 8 . 1 1 39 39 MET CB C 39 32.238 32.238 32.025 0.213 25702 4178 1 8 . 1 1 39 39 MET H H 39 7.051 7.051 7.603 -0.552 25702 4179 1 8 . 1 1 40 40 ILE N N 40 117.419 117.419 118.880 -1.461 25702 4180 1 8 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.991 -0.316 25702 4181 1 8 . 1 1 40 40 ILE C C 40 177.699 177.699 177.338 0.361 25702 4182 1 8 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.397 -0.728 25702 4183 1 8 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.154 -2.383 25702 4184 1 8 . 1 1 40 40 ILE H H 40 7.825 7.825 7.745 0.080 25702 4185 1 8 . 1 1 41 41 GLU N N 41 119.014 119.014 119.823 -0.809 25702 4186 1 8 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.675 -0.089 25702 4187 1 8 . 1 1 41 41 GLU C C 41 180.065 180.065 178.439 1.626 25702 4188 1 8 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.962 0.445 25702 4189 1 8 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.247 -0.773 25702 4190 1 8 . 1 1 41 41 GLU H H 41 7.475 7.475 7.611 -0.136 25702 4191 1 8 . 1 1 42 42 LYS N N 42 120.988 120.988 118.665 2.323 25702 4192 1 8 . 1 1 42 42 LYS HA H 42 3.917 3.917 4.044 -0.127 25702 4193 1 8 . 1 1 42 42 LYS C C 42 179.895 179.895 178.804 1.091 25702 4194 1 8 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.433 0.601 25702 4195 1 8 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.433 -1.588 25702 4196 1 8 . 1 1 42 42 LYS H H 42 7.402 7.402 7.891 -0.489 25702 4197 1 8 . 1 1 43 43 PHE N N 43 118.946 118.946 119.344 -0.398 25702 4198 1 8 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.925 -0.761 25702 4199 1 8 . 1 1 43 43 PHE C C 43 177.806 177.806 176.200 1.606 25702 4200 1 8 . 1 1 43 43 PHE CA C 43 60.022 60.022 60.001 0.021 25702 4201 1 8 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.039 -0.619 25702 4202 1 8 . 1 1 43 43 PHE H H 43 8.270 8.270 7.554 0.716 25702 4203 1 8 . 1 1 44 44 SER N N 44 116.035 116.035 113.579 2.456 25702 4204 1 8 . 1 1 44 44 SER HA H 44 2.873 2.873 4.279 -1.406 25702 4205 1 8 . 1 1 44 44 SER C C 44 175.522 175.522 175.322 0.200 25702 4206 1 8 . 1 1 44 44 SER CA C 44 60.173 60.173 59.511 0.662 25702 4207 1 8 . 1 1 44 44 SER CB C 44 61.911 61.911 62.479 -0.568 25702 4208 1 8 . 1 1 44 44 SER H H 44 7.763 7.763 6.878 0.885 25702 4209 1 8 . 1 1 45 45 GLU N N 45 120.563 120.563 122.036 -1.473 25702 4210 1 8 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.924 0.135 25702 4211 1 8 . 1 1 45 45 GLU C C 45 177.798 177.798 177.763 0.035 25702 4212 1 8 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.561 -1.258 25702 4213 1 8 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.659 -0.022 25702 4214 1 8 . 1 1 45 45 GLU H H 45 6.888 6.888 7.339 -0.451 25702 4215 1 8 . 1 1 46 46 GLN N N 46 118.400 118.400 116.687 1.713 25702 4216 1 8 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.171 -0.244 25702 4217 1 8 . 1 1 46 46 GLN C C 46 175.422 175.422 176.730 -1.308 25702 4218 1 8 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.581 -0.548 25702 4219 1 8 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.738 -1.048 25702 4220 1 8 . 1 1 46 46 GLN H H 46 7.451 7.451 7.370 0.081 25702 4221 1 8 . 1 1 47 47 TYR N N 47 115.979 115.979 113.521 2.458 25702 4222 1 8 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.107 -0.124 25702 4223 1 8 . 1 1 47 47 TYR CA C 47 56.084 56.084 54.327 1.757 25702 4224 1 8 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.382 -0.308 25702 4225 1 8 . 1 1 47 47 TYR H H 47 7.433 7.433 7.636 -0.203 25702 4226 1 8 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.646 0.065 25702 4227 1 8 . 1 1 48 48 PRO C C 48 177.453 177.453 177.123 0.330 25702 4228 1 8 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.023 0.271 25702 4229 1 8 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.067 -0.197 25702 4230 1 8 . 1 1 49 49 GLN N N 49 119.035 119.035 116.665 2.370 25702 4231 1 8 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.271 0.089 25702 4232 1 8 . 1 1 49 49 GLN C C 49 174.990 174.990 175.711 -0.721 25702 4233 1 8 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.721 -0.261 25702 4234 1 8 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.685 0.094 25702 4235 1 8 . 1 1 49 49 GLN H H 49 9.617 9.617 8.445 1.172 25702 4236 1 8 . 1 1 50 50 ALA N N 50 127.008 127.008 121.453 5.555 25702 4237 1 8 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.528 0.519 25702 4238 1 8 . 1 1 50 50 ALA C C 50 175.173 175.173 176.414 -1.241 25702 4239 1 8 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.701 -0.652 25702 4240 1 8 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.337 0.830 25702 4241 1 8 . 1 1 50 50 ALA H H 50 8.170 8.170 7.470 0.700 25702 4242 1 8 . 1 1 51 51 ASP N N 51 120.039 120.039 120.334 -0.295 25702 4243 1 8 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.322 0.783 25702 4244 1 8 . 1 1 51 51 ASP C C 51 174.707 174.707 174.830 -0.123 25702 4245 1 8 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.905 -0.901 25702 4246 1 8 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.896 1.377 25702 4247 1 8 . 1 1 51 51 ASP H H 51 8.411 8.411 8.594 -0.183 25702 4248 1 8 . 1 1 52 52 PHE N N 52 120.670 120.670 119.961 0.709 25702 4249 1 8 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.588 -0.409 25702 4250 1 8 . 1 1 52 52 PHE C C 52 174.633 174.633 174.025 0.608 25702 4251 1 8 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.169 1.543 25702 4252 1 8 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.910 1.964 25702 4253 1 8 . 1 1 52 52 PHE H H 52 8.943 8.943 7.212 1.731 25702 4254 1 8 . 1 1 53 53 TYR N N 53 120.949 120.949 122.108 -1.159 25702 4255 1 8 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.561 -0.084 25702 4256 1 8 . 1 1 53 53 TYR C C 53 174.507 174.507 174.382 0.125 25702 4257 1 8 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.636 -0.923 25702 4258 1 8 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.886 2.956 25702 4259 1 8 . 1 1 53 53 TYR H H 53 9.336 9.336 8.965 0.371 25702 4260 1 8 . 1 1 54 54 LYS N N 54 115.771 115.771 119.382 -3.611 25702 4261 1 8 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.487 0.012 25702 4262 1 8 . 1 1 54 54 LYS C C 54 173.200 173.200 173.786 -0.586 25702 4263 1 8 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.243 -1.748 25702 4264 1 8 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.393 -1.437 25702 4265 1 8 . 1 1 54 54 LYS H H 54 8.451 8.451 9.113 -0.662 25702 4266 1 8 . 1 1 55 55 LEU N N 55 123.037 123.037 121.357 1.680 25702 4267 1 8 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.939 -0.468 25702 4268 1 8 . 1 1 55 55 LEU C C 55 172.053 172.053 173.249 -1.196 25702 4269 1 8 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.725 1.661 25702 4270 1 8 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.080 -0.266 25702 4271 1 8 . 1 1 55 55 LEU H H 55 8.783 8.783 8.845 -0.062 25702 4272 1 8 . 1 1 56 56 ASP N N 56 126.250 126.250 122.077 4.173 25702 4273 1 8 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.128 -0.971 25702 4274 1 8 . 1 1 56 56 ASP C C 56 178.219 178.219 177.406 0.813 25702 4275 1 8 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.190 0.052 25702 4276 1 8 . 1 1 56 56 ASP CB C 56 40.748 40.748 42.190 -1.442 25702 4277 1 8 . 1 1 56 56 ASP H H 56 8.580 8.580 8.453 0.127 25702 4278 1 8 . 1 1 57 57 VAL N N 57 123.015 123.015 117.575 5.440 25702 4279 1 8 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.090 -0.674 25702 4280 1 8 . 1 1 57 57 VAL C C 57 175.672 175.672 175.559 0.113 25702 4281 1 8 . 1 1 57 57 VAL CA C 57 64.696 64.696 63.860 0.836 25702 4282 1 8 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.475 -0.472 25702 4283 1 8 . 1 1 57 57 VAL H H 57 8.767 8.767 8.530 0.237 25702 4284 1 8 . 1 1 58 58 ASP N N 58 118.536 118.536 119.219 -0.683 25702 4285 1 8 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.602 0.093 25702 4286 1 8 . 1 1 58 58 ASP C C 58 177.541 177.541 178.539 -0.998 25702 4287 1 8 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.193 -1.034 25702 4288 1 8 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.307 -0.837 25702 4289 1 8 . 1 1 58 58 ASP H H 58 8.653 8.653 8.180 0.473 25702 4290 1 8 . 1 1 59 59 GLU N N 59 119.610 119.610 118.103 1.507 25702 4291 1 8 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.329 0.024 25702 4292 1 8 . 1 1 59 59 GLU C C 59 177.106 177.106 177.754 -0.648 25702 4293 1 8 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.947 -0.578 25702 4294 1 8 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.807 0.893 25702 4295 1 8 . 1 1 59 59 GLU H H 59 7.596 7.596 8.246 -0.650 25702 4296 1 8 . 1 1 60 60 LEU N N 60 121.513 121.513 120.559 0.954 25702 4297 1 8 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.721 0.191 25702 4298 1 8 . 1 1 60 60 LEU C C 60 177.050 177.050 176.824 0.226 25702 4299 1 8 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.838 -0.474 25702 4300 1 8 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.103 2.519 25702 4301 1 8 . 1 1 60 60 LEU H H 60 7.689 7.689 8.015 -0.326 25702 4302 1 8 . 1 1 61 61 GLY N N 61 111.170 111.170 109.916 1.254 25702 4303 1 8 . 1 1 61 61 GLY C C 61 176.313 176.313 175.450 0.863 25702 4304 1 8 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.079 1.144 25702 4305 1 8 . 1 1 61 61 GLY H H 61 8.218 8.218 8.179 0.039 25702 4306 1 8 . 1 1 62 62 ASP N N 62 119.711 119.711 120.541 -0.830 25702 4307 1 8 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.375 -0.057 25702 4308 1 8 . 1 1 62 62 ASP C C 62 178.935 178.935 178.032 0.903 25702 4309 1 8 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.406 0.274 25702 4310 1 8 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.365 -1.102 25702 4311 1 8 . 1 1 62 62 ASP H H 62 9.141 9.141 8.646 0.495 25702 4312 1 8 . 1 1 63 63 VAL N N 63 120.511 120.511 119.381 1.130 25702 4313 1 8 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.628 -0.305 25702 4314 1 8 . 1 1 63 63 VAL C C 63 179.266 179.266 177.497 1.769 25702 4315 1 8 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.853 -0.459 25702 4316 1 8 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.871 -0.579 25702 4317 1 8 . 1 1 63 63 VAL H H 63 7.275 7.275 7.653 -0.378 25702 4318 1 8 . 1 1 64 64 ALA N N 64 122.711 122.711 121.221 1.490 25702 4319 1 8 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.923 -0.133 25702 4320 1 8 . 1 1 64 64 ALA C C 64 178.540 178.540 179.757 -1.217 25702 4321 1 8 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.335 0.550 25702 4322 1 8 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.359 -0.542 25702 4323 1 8 . 1 1 64 64 ALA H H 64 7.264 7.264 7.757 -0.493 25702 4324 1 8 . 1 1 65 65 GLN N N 65 117.988 117.988 115.686 2.302 25702 4325 1 8 . 1 1 65 65 GLN HA H 65 4.057 4.057 3.994 0.063 25702 4326 1 8 . 1 1 65 65 GLN C C 65 180.544 180.544 178.215 2.329 25702 4327 1 8 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.882 1.127 25702 4328 1 8 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.796 -0.495 25702 4329 1 8 . 1 1 65 65 GLN H H 65 8.344 8.344 8.229 0.115 25702 4330 1 8 . 1 1 66 66 LYS N N 66 120.050 120.050 118.116 1.934 25702 4331 1 8 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.029 0.025 25702 4332 1 8 . 1 1 66 66 LYS C C 66 176.954 176.954 177.131 -0.177 25702 4333 1 8 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.269 0.548 25702 4334 1 8 . 1 1 66 66 LYS CB C 66 32.179 32.179 31.681 0.498 25702 4335 1 8 . 1 1 66 66 LYS H H 66 7.971 7.971 7.400 0.571 25702 4336 1 8 . 1 1 67 67 ASN N N 67 114.553 114.553 114.437 0.116 25702 4337 1 8 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.500 0.276 25702 4338 1 8 . 1 1 67 67 ASN C C 67 171.614 171.614 174.696 -3.082 25702 4339 1 8 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.940 1.140 25702 4340 1 8 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.292 0.817 25702 4341 1 8 . 1 1 67 67 ASN H H 67 7.064 7.064 7.383 -0.319 25702 4342 1 8 . 1 1 68 68 GLU N N 68 114.491 114.491 115.958 -1.467 25702 4343 1 8 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.902 -0.161 25702 4344 1 8 . 1 1 68 68 GLU C C 68 175.660 175.660 174.383 1.277 25702 4345 1 8 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.356 -0.350 25702 4346 1 8 . 1 1 68 68 GLU CB C 68 26.972 26.972 29.009 -2.037 25702 4347 1 8 . 1 1 68 68 GLU H H 68 7.755 7.755 7.728 0.027 25702 4348 1 8 . 1 1 69 69 VAL N N 69 120.375 120.375 119.312 1.063 25702 4349 1 8 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.246 -0.342 25702 4350 1 8 . 1 1 69 69 VAL C C 69 175.415 175.415 174.628 0.787 25702 4351 1 8 . 1 1 69 69 VAL CA C 69 62.870 62.870 62.162 0.708 25702 4352 1 8 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.404 -1.490 25702 4353 1 8 . 1 1 69 69 VAL H H 69 7.787 7.787 7.941 -0.154 25702 4354 1 8 . 1 1 70 70 SER N N 70 121.558 121.558 124.434 -2.876 25702 4355 1 8 . 1 1 70 70 SER HA H 70 4.488 4.488 4.606 -0.118 25702 4356 1 8 . 1 1 70 70 SER C C 70 172.616 172.616 174.932 -2.316 25702 4357 1 8 . 1 1 70 70 SER CA C 70 57.728 57.728 58.627 -0.899 25702 4358 1 8 . 1 1 70 70 SER CB C 70 64.713 64.713 63.930 0.783 25702 4359 1 8 . 1 1 70 70 SER H H 70 8.565 8.565 8.691 -0.126 25702 4360 1 8 . 1 1 71 71 ALA N N 71 125.848 125.848 125.016 0.832 25702 4361 1 8 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.638 -0.059 25702 4362 1 8 . 1 1 71 71 ALA C C 71 175.531 175.531 175.801 -0.270 25702 4363 1 8 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.557 -0.065 25702 4364 1 8 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.164 1.198 25702 4365 1 8 . 1 1 71 71 ALA H H 71 7.861 7.861 8.124 -0.263 25702 4366 1 8 . 1 1 72 72 MET N N 72 118.991 118.991 118.012 0.979 25702 4367 1 8 . 1 1 72 72 MET HA H 72 4.879 4.879 5.246 -0.367 25702 4368 1 8 . 1 1 72 72 MET CA C 72 51.907 51.907 51.560 0.346 25702 4369 1 8 . 1 1 72 72 MET CB C 72 35.595 35.595 34.360 1.235 25702 4370 1 8 . 1 1 72 72 MET H H 72 8.553 8.553 8.180 0.373 25702 4371 1 8 . 1 1 73 73 PRO HA H 73 5.006 5.006 5.149 -0.143 25702 4372 1 8 . 1 1 73 73 PRO C C 73 176.015 176.015 175.669 0.346 25702 4373 1 8 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.422 0.607 25702 4374 1 8 . 1 1 73 73 PRO CB C 73 34.365 34.365 34.022 0.343 25702 4375 1 8 . 1 1 74 74 THR N N 74 114.577 114.577 117.216 -2.639 25702 4376 1 8 . 1 1 74 74 THR HA H 74 5.013 5.013 5.067 -0.054 25702 4377 1 8 . 1 1 74 74 THR C C 74 171.538 171.538 173.337 -1.799 25702 4378 1 8 . 1 1 74 74 THR CA C 74 63.556 63.556 62.022 1.534 25702 4379 1 8 . 1 1 74 74 THR CB C 74 73.238 73.238 72.196 1.042 25702 4380 1 8 . 1 1 74 74 THR H H 74 7.772 7.772 9.113 -1.341 25702 4381 1 8 . 1 1 75 75 LEU N N 75 131.086 131.086 127.215 3.871 25702 4382 1 8 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.434 0.052 25702 4383 1 8 . 1 1 75 75 LEU C C 75 174.827 174.827 175.387 -0.560 25702 4384 1 8 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.128 -0.806 25702 4385 1 8 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.833 0.316 25702 4386 1 8 . 1 1 75 75 LEU H H 75 9.517 9.517 9.350 0.168 25702 4387 1 8 . 1 1 76 76 LEU N N 76 123.573 123.573 125.011 -1.438 25702 4388 1 8 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.780 0.123 25702 4389 1 8 . 1 1 76 76 LEU C C 76 174.229 174.229 175.024 -0.795 25702 4390 1 8 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.856 -0.369 25702 4391 1 8 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.178 0.892 25702 4392 1 8 . 1 1 76 76 LEU H H 76 9.214 9.214 9.162 0.052 25702 4393 1 8 . 1 1 77 77 LEU N N 77 123.032 123.032 125.631 -2.599 25702 4394 1 8 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.600 -0.352 25702 4395 1 8 . 1 1 77 77 LEU C C 77 174.961 174.961 175.830 -0.869 25702 4396 1 8 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.423 1.306 25702 4397 1 8 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.956 -0.265 25702 4398 1 8 . 1 1 77 77 LEU H H 77 8.189 8.189 9.081 -0.892 25702 4399 1 8 . 1 1 78 78 PHE N N 78 121.929 121.929 122.494 -0.565 25702 4400 1 8 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.842 0.555 25702 4401 1 8 . 1 1 78 78 PHE C C 78 174.427 174.427 174.263 0.164 25702 4402 1 8 . 1 1 78 78 PHE CA C 78 56.381 56.381 57.018 -0.637 25702 4403 1 8 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.212 0.106 25702 4404 1 8 . 1 1 78 78 PHE H H 78 9.748 9.748 9.082 0.666 25702 4405 1 8 . 1 1 79 79 LYS N N 79 117.221 117.221 120.980 -3.759 25702 4406 1 8 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.235 -0.422 25702 4407 1 8 . 1 1 79 79 LYS C C 79 177.709 177.709 176.338 1.371 25702 4408 1 8 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.243 3.179 25702 4409 1 8 . 1 1 79 79 LYS CB C 79 36.270 36.270 34.747 1.523 25702 4410 1 8 . 1 1 79 79 LYS H H 79 8.741 8.741 9.342 -0.601 25702 4411 1 8 . 1 1 80 80 ASN N N 80 125.563 125.563 125.247 0.316 25702 4412 1 8 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.454 -0.149 25702 4413 1 8 . 1 1 80 80 ASN C C 80 175.395 175.395 175.463 -0.068 25702 4414 1 8 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.813 0.656 25702 4415 1 8 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.113 1.558 25702 4416 1 8 . 1 1 80 80 ASN H H 80 8.890 8.890 8.954 -0.064 25702 4417 1 8 . 1 1 81 81 GLY N N 81 102.976 102.976 104.695 -1.719 25702 4418 1 8 . 1 1 81 81 GLY C C 81 173.223 173.223 173.870 -0.647 25702 4419 1 8 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.591 0.054 25702 4420 1 8 . 1 1 81 81 GLY H H 81 8.640 8.640 8.760 -0.120 25702 4421 1 8 . 1 1 82 82 LYS N N 82 119.280 119.280 120.496 -1.216 25702 4422 1 8 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.750 -0.027 25702 4423 1 8 . 1 1 82 82 LYS C C 82 174.897 174.897 175.647 -0.750 25702 4424 1 8 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.126 0.229 25702 4425 1 8 . 1 1 82 82 LYS CB C 82 35.327 35.327 34.323 1.004 25702 4426 1 8 . 1 1 82 82 LYS H H 82 7.583 7.583 7.783 -0.200 25702 4427 1 8 . 1 1 83 83 GLU N N 83 125.460 125.460 119.589 5.871 25702 4428 1 8 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.809 0.050 25702 4429 1 8 . 1 1 83 83 GLU C C 83 177.249 177.249 177.161 0.088 25702 4430 1 8 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.633 -0.674 25702 4431 1 8 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.192 0.320 25702 4432 1 8 . 1 1 83 83 GLU H H 83 8.818 8.818 8.627 0.191 25702 4433 1 8 . 1 1 84 84 VAL N N 84 121.989 121.989 114.188 7.801 25702 4434 1 8 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.386 0.036 25702 4435 1 8 . 1 1 84 84 VAL C C 84 175.625 175.625 174.904 0.721 25702 4436 1 8 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.944 -0.861 25702 4437 1 8 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.440 -1.349 25702 4438 1 8 . 1 1 84 84 VAL H H 84 9.281 9.281 8.020 1.261 25702 4439 1 8 . 1 1 85 85 ALA N N 85 121.284 121.284 122.355 -1.071 25702 4440 1 8 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.605 -0.206 25702 4441 1 8 . 1 1 85 85 ALA C C 85 173.805 173.805 174.557 -0.752 25702 4442 1 8 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.055 0.601 25702 4443 1 8 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.294 0.693 25702 4444 1 8 . 1 1 85 85 ALA H H 85 7.564 7.564 7.467 0.097 25702 4445 1 8 . 1 1 86 86 LYS N N 86 119.558 119.558 120.047 -0.489 25702 4446 1 8 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.363 -0.417 25702 4447 1 8 . 1 1 86 86 LYS C C 86 174.999 174.999 174.594 0.405 25702 4448 1 8 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.087 0.252 25702 4449 1 8 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.596 0.009 25702 4450 1 8 . 1 1 86 86 LYS H H 86 8.000 8.000 8.203 -0.203 25702 4451 1 8 . 1 1 87 87 VAL N N 87 126.118 126.118 123.210 2.908 25702 4452 1 8 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.445 0.258 25702 4453 1 8 . 1 1 87 87 VAL C C 87 174.516 174.516 175.290 -0.774 25702 4454 1 8 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.305 0.074 25702 4455 1 8 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.283 -1.096 25702 4456 1 8 . 1 1 87 87 VAL H H 87 9.198 9.198 9.049 0.149 25702 4457 1 8 . 1 1 88 88 VAL N N 88 128.549 128.549 122.532 6.017 25702 4458 1 8 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.552 -0.098 25702 4459 1 8 . 1 1 88 88 VAL C C 88 176.142 176.142 175.258 0.884 25702 4460 1 8 . 1 1 88 88 VAL CA C 88 61.982 61.982 60.169 1.813 25702 4461 1 8 . 1 1 88 88 VAL CB C 88 32.641 32.641 29.732 2.909 25702 4462 1 8 . 1 1 88 88 VAL H H 88 9.031 9.031 8.585 0.446 25702 4463 1 8 . 1 1 89 89 GLY N N 89 114.516 114.516 108.242 6.274 25702 4464 1 8 . 1 1 89 89 GLY C C 89 173.063 173.063 173.239 -0.176 25702 4465 1 8 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.016 -1.510 25702 4466 1 8 . 1 1 89 89 GLY H H 89 8.379 8.379 7.460 0.919 25702 4467 1 8 . 1 1 90 90 ALA N N 90 122.292 122.292 123.951 -1.659 25702 4468 1 8 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.146 0.049 25702 4469 1 8 . 1 1 90 90 ALA C C 90 174.897 174.897 176.529 -1.632 25702 4470 1 8 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.770 -2.332 25702 4471 1 8 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.934 -1.053 25702 4472 1 8 . 1 1 90 90 ALA H H 90 8.592 8.592 8.455 0.137 25702 4473 1 8 . 1 1 91 91 ASN N N 91 120.220 120.220 124.040 -3.820 25702 4474 1 8 . 1 1 91 91 ASN HA H 91 5.111 5.111 4.996 0.115 25702 4475 1 8 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.497 0.515 25702 4476 1 8 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.234 -0.256 25702 4477 1 8 . 1 1 91 91 ASN H H 91 7.386 7.386 8.571 -1.185 25702 4478 1 8 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.080 -0.052 25702 4479 1 8 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.586 -4.489 25702 4480 1 8 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.290 -0.195 25702 4481 1 8 . 1 1 93 93 ALA C C 93 180.205 180.205 179.605 0.600 25702 4482 1 8 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.457 0.709 25702 4483 1 8 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.175 -0.194 25702 4484 1 8 . 1 1 94 94 ALA N N 94 120.499 120.499 122.202 -1.703 25702 4485 1 8 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.199 -0.138 25702 4486 1 8 . 1 1 94 94 ALA C C 94 180.917 180.917 180.050 0.867 25702 4487 1 8 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.806 -0.546 25702 4488 1 8 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.316 0.482 25702 4489 1 8 . 1 1 94 94 ALA H H 94 7.223 7.223 8.306 -1.083 25702 4490 1 8 . 1 1 95 95 ILE N N 95 119.397 119.397 118.251 1.146 25702 4491 1 8 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.771 -0.419 25702 4492 1 8 . 1 1 95 95 ILE C C 95 176.217 176.217 177.847 -1.630 25702 4493 1 8 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.459 2.494 25702 4494 1 8 . 1 1 95 95 ILE CB C 95 38.380 38.380 37.008 1.373 25702 4495 1 8 . 1 1 95 95 ILE H H 95 7.772 7.772 8.763 -0.991 25702 4496 1 8 . 1 1 96 96 LYS N N 96 118.919 118.919 119.710 -0.791 25702 4497 1 8 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.493 -1.476 25702 4498 1 8 . 1 1 96 96 LYS C C 96 177.824 177.824 179.821 -1.997 25702 4499 1 8 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.258 1.368 25702 4500 1 8 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.228 -0.063 25702 4501 1 8 . 1 1 96 96 LYS H H 96 8.112 8.112 7.551 0.561 25702 4502 1 8 . 1 1 97 97 GLN N N 97 115.480 115.480 118.727 -3.247 25702 4503 1 8 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.220 -0.368 25702 4504 1 8 . 1 1 97 97 GLN C C 97 178.014 178.014 177.489 0.525 25702 4505 1 8 . 1 1 97 97 GLN CA C 97 58.583 58.583 57.593 0.990 25702 4506 1 8 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.336 0.008 25702 4507 1 8 . 1 1 97 97 GLN H H 97 7.686 7.686 8.065 -0.379 25702 4508 1 8 . 1 1 98 98 ALA N N 98 120.911 120.911 123.941 -3.030 25702 4509 1 8 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.034 -0.104 25702 4510 1 8 . 1 1 98 98 ALA C C 98 179.544 179.544 179.616 -0.072 25702 4511 1 8 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.220 -0.471 25702 4512 1 8 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.080 -0.165 25702 4513 1 8 . 1 1 98 98 ALA H H 98 7.446 7.446 7.661 -0.215 25702 4514 1 8 . 1 1 99 99 ILE N N 99 117.780 117.780 117.287 0.493 25702 4515 1 8 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.552 -0.505 25702 4516 1 8 . 1 1 99 99 ILE C C 99 177.087 177.087 177.878 -0.791 25702 4517 1 8 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.656 2.803 25702 4518 1 8 . 1 1 99 99 ILE CB C 99 38.132 38.132 36.038 2.094 25702 4519 1 8 . 1 1 99 99 ILE H H 99 7.735 7.735 8.144 -0.409 25702 4520 1 8 . 1 1 100 100 ALA N N 100 119.516 119.516 120.818 -1.302 25702 4521 1 8 . 1 1 100 100 ALA C C 100 180.431 180.431 178.518 1.913 25702 4522 1 8 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.201 1.044 25702 4523 1 8 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.086 0.207 25702 4524 1 8 . 1 1 100 100 ALA H H 100 8.214 8.214 7.663 0.551 25702 4525 1 8 . 1 1 101 101 ALA N N 101 115.674 115.674 120.080 -4.406 25702 4526 1 8 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.046 0.024 25702 4527 1 8 . 1 1 101 101 ALA C C 101 178.213 178.213 178.923 -0.710 25702 4528 1 8 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.627 0.257 25702 4529 1 8 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.432 -0.389 25702 4530 1 8 . 1 1 101 101 ALA H H 101 7.619 7.619 7.714 -0.095 25702 4531 1 8 . 1 1 102 102 ASN N N 102 115.986 115.986 114.570 1.416 25702 4532 1 8 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.692 0.092 25702 4533 1 8 . 1 1 102 102 ASN C C 102 172.740 172.740 175.352 -2.612 25702 4534 1 8 . 1 1 102 102 ASN CA C 102 54.300 54.300 53.792 0.508 25702 4535 1 8 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.879 3.010 25702 4536 1 8 . 1 1 102 102 ASN H H 102 7.116 7.116 7.982 -0.866 25702 4537 1 9 . 1 1 2 2 VAL N N 2 125.020 125.020 120.122 4.898 25702 4538 1 9 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.218 -0.140 25702 4539 1 9 . 1 1 2 2 VAL C C 2 175.261 175.261 175.343 -0.082 25702 4540 1 9 . 1 1 2 2 VAL CA C 2 61.049 61.049 60.687 0.362 25702 4541 1 9 . 1 1 2 2 VAL CB C 2 32.667 32.667 34.845 -2.178 25702 4542 1 9 . 1 1 2 2 VAL H H 2 8.590 8.590 8.214 0.376 25702 4543 1 9 . 1 1 3 3 THR N N 3 125.759 125.759 123.168 2.591 25702 4544 1 9 . 1 1 3 3 THR HA H 3 4.138 4.138 4.487 -0.349 25702 4545 1 9 . 1 1 3 3 THR C C 3 173.129 173.129 173.613 -0.484 25702 4546 1 9 . 1 1 3 3 THR CA C 3 62.804 62.804 62.171 0.633 25702 4547 1 9 . 1 1 3 3 THR CB C 3 69.547 69.547 69.757 -0.210 25702 4548 1 9 . 1 1 3 3 THR H H 3 7.778 7.778 8.492 -0.714 25702 4549 1 9 . 1 1 4 4 GLN N N 4 127.746 127.746 124.659 3.087 25702 4550 1 9 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.601 0.138 25702 4551 1 9 . 1 1 4 4 GLN C C 4 176.754 176.754 176.016 0.738 25702 4552 1 9 . 1 1 4 4 GLN CA C 4 54.435 54.435 56.193 -1.758 25702 4553 1 9 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.273 0.257 25702 4554 1 9 . 1 1 4 4 GLN H H 4 8.975 8.975 8.673 0.302 25702 4555 1 9 . 1 1 5 5 PHE N N 5 126.242 126.242 124.977 1.265 25702 4556 1 9 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.532 0.285 25702 4557 1 9 . 1 1 5 5 PHE C C 5 176.102 176.102 175.487 0.615 25702 4558 1 9 . 1 1 5 5 PHE CA C 5 58.528 58.528 57.132 1.396 25702 4559 1 9 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.134 0.386 25702 4560 1 9 . 1 1 5 5 PHE H H 5 8.422 8.422 8.729 -0.307 25702 4561 1 9 . 1 1 6 6 LYS N N 6 119.482 119.482 118.403 1.079 25702 4562 1 9 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.507 0.114 25702 4563 1 9 . 1 1 6 6 LYS C C 6 176.994 176.994 175.756 1.238 25702 4564 1 9 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.685 -0.670 25702 4565 1 9 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.123 0.009 25702 4566 1 9 . 1 1 6 6 LYS H H 6 9.822 9.822 8.680 1.142 25702 4567 1 9 . 1 1 7 7 THR N N 7 107.464 107.464 109.399 -1.935 25702 4568 1 9 . 1 1 7 7 THR HA H 7 4.597 4.597 4.669 -0.072 25702 4569 1 9 . 1 1 7 7 THR C C 7 173.921 173.921 173.947 -0.026 25702 4570 1 9 . 1 1 7 7 THR CA C 7 59.155 59.155 59.591 -0.436 25702 4571 1 9 . 1 1 7 7 THR CB C 7 72.660 72.660 71.856 0.804 25702 4572 1 9 . 1 1 7 7 THR H H 7 7.484 7.484 7.430 0.054 25702 4573 1 9 . 1 1 8 8 ALA N N 8 123.987 123.987 121.913 2.074 25702 4574 1 9 . 1 1 8 8 ALA HA H 8 3.709 3.709 3.978 -0.269 25702 4575 1 9 . 1 1 8 8 ALA C C 8 179.409 179.409 178.942 0.467 25702 4576 1 9 . 1 1 8 8 ALA CA C 8 55.002 55.002 55.201 -0.199 25702 4577 1 9 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.133 -0.043 25702 4578 1 9 . 1 1 8 8 ALA H H 8 9.031 9.031 8.891 0.140 25702 4579 1 9 . 1 1 9 9 SER N N 9 112.387 112.387 114.185 -1.798 25702 4580 1 9 . 1 1 9 9 SER HA H 9 4.127 4.127 4.089 0.038 25702 4581 1 9 . 1 1 9 9 SER C C 9 177.070 177.070 176.880 0.190 25702 4582 1 9 . 1 1 9 9 SER CA C 9 61.109 61.109 61.263 -0.154 25702 4583 1 9 . 1 1 9 9 SER CB C 9 62.226 62.226 62.566 -0.340 25702 4584 1 9 . 1 1 9 9 SER H H 9 8.161 8.161 7.832 0.329 25702 4585 1 9 . 1 1 10 10 GLU N N 10 121.941 121.941 121.882 0.059 25702 4586 1 9 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.839 0.012 25702 4587 1 9 . 1 1 10 10 GLU C C 10 178.776 178.776 178.236 0.540 25702 4588 1 9 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.328 -0.645 25702 4589 1 9 . 1 1 10 10 GLU CB C 10 31.004 31.004 28.967 2.037 25702 4590 1 9 . 1 1 10 10 GLU H H 10 7.522 7.522 7.464 0.058 25702 4591 1 9 . 1 1 11 11 PHE N N 11 120.541 120.541 119.716 0.825 25702 4592 1 9 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.844 0.002 25702 4593 1 9 . 1 1 11 11 PHE C C 11 174.944 174.944 176.781 -1.837 25702 4594 1 9 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.794 -0.087 25702 4595 1 9 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.750 -1.012 25702 4596 1 9 . 1 1 11 11 PHE H H 11 6.624 6.624 7.151 -0.527 25702 4597 1 9 . 1 1 12 12 ASP N N 12 117.847 117.847 118.834 -0.987 25702 4598 1 9 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.188 -0.357 25702 4599 1 9 . 1 1 12 12 ASP C C 12 178.767 178.767 178.938 -0.171 25702 4600 1 9 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.709 -0.491 25702 4601 1 9 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.103 0.195 25702 4602 1 9 . 1 1 12 12 ASP H H 12 7.637 7.637 8.507 -0.870 25702 4603 1 9 . 1 1 13 13 SER N N 13 111.904 111.904 115.715 -3.811 25702 4604 1 9 . 1 1 13 13 SER HA H 13 4.034 4.034 4.180 -0.146 25702 4605 1 9 . 1 1 13 13 SER C C 13 176.341 176.341 176.376 -0.035 25702 4606 1 9 . 1 1 13 13 SER CA C 13 60.857 60.857 61.307 -0.450 25702 4607 1 9 . 1 1 13 13 SER CB C 13 63.144 63.144 62.913 0.232 25702 4608 1 9 . 1 1 13 13 SER H H 13 7.539 7.539 8.167 -0.628 25702 4609 1 9 . 1 1 14 14 ALA N N 14 123.793 123.793 122.987 0.806 25702 4610 1 9 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.019 0.008 25702 4611 1 9 . 1 1 14 14 ALA C C 14 180.358 180.358 179.404 0.954 25702 4612 1 9 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.373 0.467 25702 4613 1 9 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.465 0.361 25702 4614 1 9 . 1 1 14 14 ALA H H 14 7.647 7.647 7.469 0.178 25702 4615 1 9 . 1 1 15 15 ILE N N 15 106.782 106.782 118.984 -12.202 25702 4616 1 9 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.703 0.017 25702 4617 1 9 . 1 1 15 15 ILE C C 15 176.012 176.012 177.843 -1.831 25702 4618 1 9 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.962 1.532 25702 4619 1 9 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.222 1.573 25702 4620 1 9 . 1 1 15 15 ILE H H 15 7.146 7.146 7.903 -0.757 25702 4621 1 9 . 1 1 16 16 ALA N N 16 122.248 122.248 119.321 2.927 25702 4622 1 9 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.281 -0.250 25702 4623 1 9 . 1 1 16 16 ALA C C 16 177.072 177.072 177.370 -0.298 25702 4624 1 9 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.444 -0.694 25702 4625 1 9 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.248 0.121 25702 4626 1 9 . 1 1 16 16 ALA H H 16 6.627 6.627 7.341 -0.714 25702 4627 1 9 . 1 1 17 17 GLN N N 17 115.254 115.254 118.777 -3.523 25702 4628 1 9 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.370 -0.151 25702 4629 1 9 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.133 0.764 25702 4630 1 9 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.955 4.009 25702 4631 1 9 . 1 1 17 17 GLN H H 17 7.136 7.136 7.412 -0.276 25702 4632 1 9 . 1 1 18 18 ASP N N 18 122.840 122.840 122.112 0.728 25702 4633 1 9 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.549 -0.017 25702 4634 1 9 . 1 1 18 18 ASP C C 18 175.348 175.348 175.193 0.155 25702 4635 1 9 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.859 -1.349 25702 4636 1 9 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.991 -0.941 25702 4637 1 9 . 1 1 18 18 ASP H H 18 8.644 8.644 8.651 -0.007 25702 4638 1 9 . 1 1 19 19 LYS N N 19 118.503 118.503 114.512 3.991 25702 4639 1 9 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.497 -0.114 25702 4640 1 9 . 1 1 19 19 LYS C C 19 173.289 173.289 174.671 -1.382 25702 4641 1 9 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.592 1.129 25702 4642 1 9 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.617 -0.401 25702 4643 1 9 . 1 1 19 19 LYS H H 19 7.939 7.939 7.212 0.727 25702 4644 1 9 . 1 1 20 20 LEU N N 20 120.813 120.813 123.171 -2.358 25702 4645 1 9 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.777 -0.068 25702 4646 1 9 . 1 1 20 20 LEU C C 20 174.429 174.429 175.786 -1.357 25702 4647 1 9 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.748 1.039 25702 4648 1 9 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.663 -0.102 25702 4649 1 9 . 1 1 20 20 LEU H H 20 8.625 8.625 8.862 -0.237 25702 4650 1 9 . 1 1 21 21 VAL N N 21 128.813 128.813 127.651 1.162 25702 4651 1 9 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.473 -0.208 25702 4652 1 9 . 1 1 21 21 VAL C C 21 174.618 174.618 175.624 -1.006 25702 4653 1 9 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.351 0.232 25702 4654 1 9 . 1 1 21 21 VAL CB C 21 34.577 34.577 31.747 2.830 25702 4655 1 9 . 1 1 21 21 VAL H H 21 9.251 9.251 9.195 0.056 25702 4656 1 9 . 1 1 22 22 VAL N N 22 130.243 130.243 125.299 4.944 25702 4657 1 9 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.444 -0.181 25702 4658 1 9 . 1 1 22 22 VAL C C 22 174.802 174.802 174.912 -0.110 25702 4659 1 9 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.249 0.393 25702 4660 1 9 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.294 1.530 25702 4661 1 9 . 1 1 22 22 VAL H H 22 8.969 8.969 8.630 0.339 25702 4662 1 9 . 1 1 23 23 VAL N N 23 125.526 125.526 128.247 -2.721 25702 4663 1 9 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.951 -0.299 25702 4664 1 9 . 1 1 23 23 VAL C C 23 174.086 174.086 175.159 -1.073 25702 4665 1 9 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.403 1.380 25702 4666 1 9 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.248 1.176 25702 4667 1 9 . 1 1 23 23 VAL H H 23 9.555 9.555 8.753 0.802 25702 4668 1 9 . 1 1 24 24 ALA N N 24 130.468 130.468 131.716 -1.248 25702 4669 1 9 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.814 0.189 25702 4670 1 9 . 1 1 24 24 ALA C C 24 175.093 175.093 175.625 -0.532 25702 4671 1 9 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.800 0.310 25702 4672 1 9 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.275 0.268 25702 4673 1 9 . 1 1 24 24 ALA H H 24 9.004 9.004 9.312 -0.308 25702 4674 1 9 . 1 1 25 25 PHE N N 25 124.289 124.289 127.304 -3.015 25702 4675 1 9 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.620 -0.601 25702 4676 1 9 . 1 1 25 25 PHE C C 25 174.794 174.794 174.638 0.156 25702 4677 1 9 . 1 1 25 25 PHE CA C 25 57.620 57.620 57.263 0.357 25702 4678 1 9 . 1 1 25 25 PHE CB C 25 39.765 39.765 42.084 -2.319 25702 4679 1 9 . 1 1 25 25 PHE H H 25 9.455 9.455 9.100 0.355 25702 4680 1 9 . 1 1 26 26 TYR N N 26 120.967 120.967 121.693 -0.726 25702 4681 1 9 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.889 0.462 25702 4682 1 9 . 1 1 26 26 TYR C C 26 171.352 171.352 172.580 -1.228 25702 4683 1 9 . 1 1 26 26 TYR CA C 26 54.831 54.831 56.291 -1.460 25702 4684 1 9 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.211 2.723 25702 4685 1 9 . 1 1 26 26 TYR H H 26 8.908 8.908 8.531 0.377 25702 4686 1 9 . 1 1 27 27 ALA N N 27 119.133 119.133 120.456 -1.323 25702 4687 1 9 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.710 -0.151 25702 4688 1 9 . 1 1 27 27 ALA C C 27 179.092 179.092 177.497 1.595 25702 4689 1 9 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.647 -0.492 25702 4690 1 9 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.911 1.039 25702 4691 1 9 . 1 1 27 27 ALA H H 27 6.962 6.962 8.367 -1.405 25702 4692 1 9 . 1 1 28 28 THR N N 28 116.784 116.784 116.637 0.147 25702 4693 1 9 . 1 1 28 28 THR HA H 28 3.867 3.867 4.143 -0.276 25702 4694 1 9 . 1 1 28 28 THR C C 28 174.957 174.957 175.376 -0.419 25702 4695 1 9 . 1 1 28 28 THR CA C 28 64.820 64.820 64.091 0.729 25702 4696 1 9 . 1 1 28 28 THR CB C 28 69.197 69.197 68.939 0.258 25702 4697 1 9 . 1 1 28 28 THR H H 28 10.053 10.053 8.765 1.288 25702 4698 1 9 . 1 1 29 29 TRP N N 29 114.763 114.763 118.363 -3.600 25702 4699 1 9 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.783 -0.261 25702 4700 1 9 . 1 1 29 29 TRP C C 29 175.478 175.478 175.921 -0.443 25702 4701 1 9 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.382 -1.877 25702 4702 1 9 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.922 0.422 25702 4703 1 9 . 1 1 29 29 TRP H H 29 6.495 6.495 7.189 -0.694 25702 4704 1 9 . 1 1 30 30 CYS N N 30 122.729 122.729 121.035 1.694 25702 4705 1 9 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.414 0.077 25702 4706 1 9 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.408 0.094 25702 4707 1 9 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.583 -1.935 25702 4708 1 9 . 1 1 30 30 CYS H H 30 6.484 6.484 7.282 -0.798 25702 4709 1 9 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.094 -0.134 25702 4710 1 9 . 1 1 33 33 CYS C C 33 176.605 176.605 175.664 0.941 25702 4711 1 9 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.574 2.989 25702 4712 1 9 . 1 1 33 33 CYS CB C 33 28.227 28.227 26.361 1.866 25702 4713 1 9 . 1 1 34 34 LYS N N 34 120.638 120.638 119.413 1.225 25702 4714 1 9 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.912 0.010 25702 4715 1 9 . 1 1 34 34 LYS C C 34 178.623 178.623 177.554 1.069 25702 4716 1 9 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.133 0.990 25702 4717 1 9 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.632 0.555 25702 4718 1 9 . 1 1 34 34 LYS H H 34 7.828 7.828 7.218 0.610 25702 4719 1 9 . 1 1 35 35 MET N N 35 115.754 115.754 118.001 -2.247 25702 4720 1 9 . 1 1 35 35 MET HA H 35 4.230 4.230 4.322 -0.092 25702 4721 1 9 . 1 1 35 35 MET C C 35 177.927 177.927 177.316 0.611 25702 4722 1 9 . 1 1 35 35 MET CA C 35 56.931 56.931 55.748 1.183 25702 4723 1 9 . 1 1 35 35 MET CB C 35 32.038 32.038 33.060 -1.022 25702 4724 1 9 . 1 1 35 35 MET H H 35 7.612 7.612 7.520 0.092 25702 4725 1 9 . 1 1 36 36 ILE N N 36 114.905 114.905 119.227 -4.322 25702 4726 1 9 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.844 0.408 25702 4727 1 9 . 1 1 36 36 ILE C C 36 176.681 176.681 177.308 -0.627 25702 4728 1 9 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.111 -1.968 25702 4729 1 9 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.111 1.774 25702 4730 1 9 . 1 1 36 36 ILE H H 36 7.399 7.399 7.573 -0.174 25702 4731 1 9 . 1 1 37 37 ALA N N 37 125.154 125.154 123.548 1.606 25702 4732 1 9 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.870 0.209 25702 4733 1 9 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.722 0.349 25702 4734 1 9 . 1 1 37 37 ALA CB C 37 15.458 15.458 15.827 -0.369 25702 4735 1 9 . 1 1 37 37 ALA H H 37 7.587 7.587 7.462 0.125 25702 4736 1 9 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.273 -0.034 25702 4737 1 9 . 1 1 38 38 PRO C C 38 179.456 179.456 178.144 1.312 25702 4738 1 9 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.764 0.423 25702 4739 1 9 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.679 -0.916 25702 4740 1 9 . 1 1 39 39 MET N N 39 117.231 117.231 118.022 -0.791 25702 4741 1 9 . 1 1 39 39 MET HA H 39 3.854 3.854 3.893 -0.039 25702 4742 1 9 . 1 1 39 39 MET C C 39 177.388 177.388 177.351 0.037 25702 4743 1 9 . 1 1 39 39 MET CA C 39 57.916 57.916 58.941 -1.025 25702 4744 1 9 . 1 1 39 39 MET CB C 39 32.238 32.238 32.333 -0.095 25702 4745 1 9 . 1 1 39 39 MET H H 39 7.051 7.051 7.570 -0.519 25702 4746 1 9 . 1 1 40 40 ILE N N 40 117.419 117.419 119.087 -1.668 25702 4747 1 9 . 1 1 40 40 ILE HA H 40 3.675 3.675 2.918 0.757 25702 4748 1 9 . 1 1 40 40 ILE C C 40 177.699 177.699 177.245 0.454 25702 4749 1 9 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.487 -0.818 25702 4750 1 9 . 1 1 40 40 ILE CB C 40 35.771 35.771 37.999 -2.228 25702 4751 1 9 . 1 1 40 40 ILE H H 40 7.825 7.825 7.242 0.583 25702 4752 1 9 . 1 1 41 41 GLU N N 41 119.014 119.014 119.555 -0.541 25702 4753 1 9 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.829 -0.243 25702 4754 1 9 . 1 1 41 41 GLU C C 41 180.065 180.065 178.856 1.209 25702 4755 1 9 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.960 0.447 25702 4756 1 9 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.212 -0.738 25702 4757 1 9 . 1 1 41 41 GLU H H 41 7.475 7.475 7.479 -0.004 25702 4758 1 9 . 1 1 42 42 LYS N N 42 120.988 120.988 119.364 1.624 25702 4759 1 9 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.971 -0.054 25702 4760 1 9 . 1 1 42 42 LYS C C 42 179.895 179.895 178.932 0.963 25702 4761 1 9 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.168 0.866 25702 4762 1 9 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.685 -0.840 25702 4763 1 9 . 1 1 42 42 LYS H H 42 7.402 7.402 7.823 -0.421 25702 4764 1 9 . 1 1 43 43 PHE N N 43 118.946 118.946 118.478 0.468 25702 4765 1 9 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.925 -0.761 25702 4766 1 9 . 1 1 43 43 PHE C C 43 177.806 177.806 177.558 0.248 25702 4767 1 9 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.372 0.650 25702 4768 1 9 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.865 -0.445 25702 4769 1 9 . 1 1 43 43 PHE H H 43 8.270 8.270 7.375 0.895 25702 4770 1 9 . 1 1 44 44 SER N N 44 116.035 116.035 111.903 4.132 25702 4771 1 9 . 1 1 44 44 SER HA H 44 2.873 2.873 4.285 -1.412 25702 4772 1 9 . 1 1 44 44 SER C C 44 175.522 175.522 175.911 -0.389 25702 4773 1 9 . 1 1 44 44 SER CA C 44 60.173 60.173 60.144 0.029 25702 4774 1 9 . 1 1 44 44 SER CB C 44 61.911 61.911 63.142 -1.231 25702 4775 1 9 . 1 1 44 44 SER H H 44 7.763 7.763 7.636 0.127 25702 4776 1 9 . 1 1 45 45 GLU N N 45 120.563 120.563 121.521 -0.958 25702 4777 1 9 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.927 0.132 25702 4778 1 9 . 1 1 45 45 GLU C C 45 177.798 177.798 178.012 -0.214 25702 4779 1 9 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.745 -1.442 25702 4780 1 9 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.583 0.054 25702 4781 1 9 . 1 1 45 45 GLU H H 45 6.888 6.888 7.402 -0.514 25702 4782 1 9 . 1 1 46 46 GLN N N 46 118.400 118.400 116.673 1.727 25702 4783 1 9 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.153 -0.226 25702 4784 1 9 . 1 1 46 46 GLN C C 46 175.422 175.422 176.581 -1.159 25702 4785 1 9 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.093 -0.060 25702 4786 1 9 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.022 -0.332 25702 4787 1 9 . 1 1 46 46 GLN H H 46 7.451 7.451 7.482 -0.031 25702 4788 1 9 . 1 1 47 47 TYR N N 47 115.979 115.979 115.380 0.599 25702 4789 1 9 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.098 -0.115 25702 4790 1 9 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.804 2.280 25702 4791 1 9 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.124 -0.050 25702 4792 1 9 . 1 1 47 47 TYR H H 47 7.433 7.433 7.454 -0.021 25702 4793 1 9 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.666 0.045 25702 4794 1 9 . 1 1 48 48 PRO C C 48 177.453 177.453 177.265 0.188 25702 4795 1 9 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.894 0.400 25702 4796 1 9 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.208 -0.338 25702 4797 1 9 . 1 1 49 49 GLN N N 49 119.035 119.035 116.762 2.273 25702 4798 1 9 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.214 0.146 25702 4799 1 9 . 1 1 49 49 GLN C C 49 174.990 174.990 175.647 -0.657 25702 4800 1 9 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.654 -0.194 25702 4801 1 9 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.497 0.282 25702 4802 1 9 . 1 1 49 49 GLN H H 49 9.617 9.617 8.398 1.219 25702 4803 1 9 . 1 1 50 50 ALA N N 50 127.008 127.008 121.307 5.701 25702 4804 1 9 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.710 0.337 25702 4805 1 9 . 1 1 50 50 ALA C C 50 175.173 175.173 176.302 -1.129 25702 4806 1 9 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.332 -0.283 25702 4807 1 9 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.266 0.900 25702 4808 1 9 . 1 1 50 50 ALA H H 50 8.170 8.170 7.395 0.775 25702 4809 1 9 . 1 1 51 51 ASP N N 51 120.039 120.039 122.765 -2.726 25702 4810 1 9 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.435 0.670 25702 4811 1 9 . 1 1 51 51 ASP C C 51 174.707 174.707 174.914 -0.207 25702 4812 1 9 . 1 1 51 51 ASP CA C 51 53.004 53.004 54.094 -1.090 25702 4813 1 9 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.531 1.742 25702 4814 1 9 . 1 1 51 51 ASP H H 51 8.411 8.411 8.613 -0.202 25702 4815 1 9 . 1 1 52 52 PHE N N 52 120.670 120.670 120.921 -0.251 25702 4816 1 9 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.014 0.165 25702 4817 1 9 . 1 1 52 52 PHE C C 52 174.633 174.633 174.100 0.533 25702 4818 1 9 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.357 1.355 25702 4819 1 9 . 1 1 52 52 PHE CB C 52 41.874 41.874 38.787 3.087 25702 4820 1 9 . 1 1 52 52 PHE H H 52 8.943 8.943 7.315 1.628 25702 4821 1 9 . 1 1 53 53 TYR N N 53 120.949 120.949 123.036 -2.087 25702 4822 1 9 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.486 -0.008 25702 4823 1 9 . 1 1 53 53 TYR C C 53 174.507 174.507 174.333 0.174 25702 4824 1 9 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.383 -0.670 25702 4825 1 9 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.761 3.081 25702 4826 1 9 . 1 1 53 53 TYR H H 53 9.336 9.336 8.956 0.380 25702 4827 1 9 . 1 1 54 54 LYS N N 54 115.771 115.771 118.520 -2.749 25702 4828 1 9 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.232 0.267 25702 4829 1 9 . 1 1 54 54 LYS C C 54 173.200 173.200 173.584 -0.384 25702 4830 1 9 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.148 -1.653 25702 4831 1 9 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.243 -1.287 25702 4832 1 9 . 1 1 54 54 LYS H H 54 8.451 8.451 8.939 -0.488 25702 4833 1 9 . 1 1 55 55 LEU N N 55 123.037 123.037 120.564 2.473 25702 4834 1 9 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.436 0.035 25702 4835 1 9 . 1 1 55 55 LEU C C 55 172.053 172.053 172.842 -0.789 25702 4836 1 9 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.410 0.976 25702 4837 1 9 . 1 1 55 55 LEU CB C 55 45.813 45.813 45.625 0.188 25702 4838 1 9 . 1 1 55 55 LEU H H 55 8.783 8.783 8.719 0.064 25702 4839 1 9 . 1 1 56 56 ASP N N 56 126.250 126.250 122.963 3.287 25702 4840 1 9 . 1 1 56 56 ASP HA H 56 4.157 4.157 4.728 -0.571 25702 4841 1 9 . 1 1 56 56 ASP C C 56 178.219 178.219 176.515 1.704 25702 4842 1 9 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.614 -0.372 25702 4843 1 9 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.550 -0.802 25702 4844 1 9 . 1 1 56 56 ASP H H 56 8.580 8.580 8.044 0.536 25702 4845 1 9 . 1 1 57 57 VAL N N 57 123.015 123.015 122.893 0.122 25702 4846 1 9 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.134 -0.718 25702 4847 1 9 . 1 1 57 57 VAL C C 57 175.672 175.672 176.206 -0.534 25702 4848 1 9 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.225 0.471 25702 4849 1 9 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.236 -1.233 25702 4850 1 9 . 1 1 57 57 VAL H H 57 8.767 8.767 8.895 -0.128 25702 4851 1 9 . 1 1 58 58 ASP N N 58 118.536 118.536 119.301 -0.765 25702 4852 1 9 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.630 0.065 25702 4853 1 9 . 1 1 58 58 ASP C C 58 177.541 177.541 177.901 -0.360 25702 4854 1 9 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.191 -1.032 25702 4855 1 9 . 1 1 58 58 ASP CB C 58 40.470 40.470 40.858 -0.388 25702 4856 1 9 . 1 1 58 58 ASP H H 58 8.653 8.653 8.370 0.283 25702 4857 1 9 . 1 1 59 59 GLU N N 59 119.610 119.610 117.515 2.095 25702 4858 1 9 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.401 -0.048 25702 4859 1 9 . 1 1 59 59 GLU C C 59 177.106 177.106 177.777 -0.671 25702 4860 1 9 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.348 0.021 25702 4861 1 9 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.952 0.748 25702 4862 1 9 . 1 1 59 59 GLU H H 59 7.596 7.596 7.977 -0.381 25702 4863 1 9 . 1 1 60 60 LEU N N 60 121.513 121.513 121.428 0.085 25702 4864 1 9 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.747 0.165 25702 4865 1 9 . 1 1 60 60 LEU C C 60 177.050 177.050 177.118 -0.068 25702 4866 1 9 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.792 -0.428 25702 4867 1 9 . 1 1 60 60 LEU CB C 60 41.622 41.622 38.897 2.725 25702 4868 1 9 . 1 1 60 60 LEU H H 60 7.689 7.689 8.158 -0.469 25702 4869 1 9 . 1 1 61 61 GLY N N 61 111.170 111.170 109.852 1.318 25702 4870 1 9 . 1 1 61 61 GLY C C 61 176.313 176.313 175.294 1.019 25702 4871 1 9 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.357 0.866 25702 4872 1 9 . 1 1 61 61 GLY H H 61 8.218 8.218 7.924 0.294 25702 4873 1 9 . 1 1 62 62 ASP N N 62 119.711 119.711 120.310 -0.599 25702 4874 1 9 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.375 -0.057 25702 4875 1 9 . 1 1 62 62 ASP C C 62 178.935 178.935 178.353 0.582 25702 4876 1 9 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.005 0.674 25702 4877 1 9 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.304 -1.041 25702 4878 1 9 . 1 1 62 62 ASP H H 62 9.141 9.141 8.570 0.571 25702 4879 1 9 . 1 1 63 63 VAL N N 63 120.511 120.511 119.803 0.708 25702 4880 1 9 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.583 -0.260 25702 4881 1 9 . 1 1 63 63 VAL C C 63 179.266 179.266 177.546 1.720 25702 4882 1 9 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.315 0.079 25702 4883 1 9 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.738 -0.446 25702 4884 1 9 . 1 1 63 63 VAL H H 63 7.275 7.275 7.642 -0.367 25702 4885 1 9 . 1 1 64 64 ALA N N 64 122.711 122.711 120.830 1.881 25702 4886 1 9 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.159 0.631 25702 4887 1 9 . 1 1 64 64 ALA C C 64 178.540 178.540 179.206 -0.666 25702 4888 1 9 . 1 1 64 64 ALA CA C 64 55.885 55.885 54.990 0.895 25702 4889 1 9 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.111 -0.294 25702 4890 1 9 . 1 1 64 64 ALA H H 64 7.264 7.264 7.659 -0.395 25702 4891 1 9 . 1 1 65 65 GLN N N 65 117.988 117.988 117.511 0.477 25702 4892 1 9 . 1 1 65 65 GLN HA H 65 4.057 4.057 3.973 0.084 25702 4893 1 9 . 1 1 65 65 GLN C C 65 180.544 180.544 177.761 2.783 25702 4894 1 9 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.939 1.070 25702 4895 1 9 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.542 -0.241 25702 4896 1 9 . 1 1 65 65 GLN H H 65 8.344 8.344 7.849 0.495 25702 4897 1 9 . 1 1 66 66 LYS N N 66 120.050 120.050 119.273 0.777 25702 4898 1 9 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.006 0.048 25702 4899 1 9 . 1 1 66 66 LYS C C 66 176.954 176.954 177.406 -0.452 25702 4900 1 9 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.245 0.572 25702 4901 1 9 . 1 1 66 66 LYS CB C 66 32.179 32.179 31.952 0.227 25702 4902 1 9 . 1 1 66 66 LYS H H 66 7.971 7.971 7.599 0.372 25702 4903 1 9 . 1 1 67 67 ASN N N 67 114.553 114.553 114.316 0.237 25702 4904 1 9 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.471 0.305 25702 4905 1 9 . 1 1 67 67 ASN C C 67 171.614 171.614 174.542 -2.928 25702 4906 1 9 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.976 1.104 25702 4907 1 9 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.165 0.944 25702 4908 1 9 . 1 1 67 67 ASN H H 67 7.064 7.064 7.360 -0.296 25702 4909 1 9 . 1 1 68 68 GLU N N 68 114.491 114.491 115.904 -1.413 25702 4910 1 9 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.914 -0.173 25702 4911 1 9 . 1 1 68 68 GLU C C 68 175.660 175.660 174.543 1.117 25702 4912 1 9 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.268 -0.262 25702 4913 1 9 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.210 -1.238 25702 4914 1 9 . 1 1 68 68 GLU H H 68 7.755 7.755 7.664 0.091 25702 4915 1 9 . 1 1 69 69 VAL N N 69 120.375 120.375 118.448 1.927 25702 4916 1 9 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.153 -0.249 25702 4917 1 9 . 1 1 69 69 VAL C C 69 175.415 175.415 174.555 0.860 25702 4918 1 9 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.861 1.009 25702 4919 1 9 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.756 -0.842 25702 4920 1 9 . 1 1 69 69 VAL H H 69 7.787 7.787 7.692 0.095 25702 4921 1 9 . 1 1 70 70 SER N N 70 121.558 121.558 123.305 -1.747 25702 4922 1 9 . 1 1 70 70 SER HA H 70 4.488 4.488 4.694 -0.206 25702 4923 1 9 . 1 1 70 70 SER C C 70 172.616 172.616 174.286 -1.670 25702 4924 1 9 . 1 1 70 70 SER CA C 70 57.728 57.728 57.952 -0.224 25702 4925 1 9 . 1 1 70 70 SER CB C 70 64.713 64.713 64.035 0.677 25702 4926 1 9 . 1 1 70 70 SER H H 70 8.565 8.565 8.622 -0.057 25702 4927 1 9 . 1 1 71 71 ALA N N 71 125.848 125.848 123.766 2.082 25702 4928 1 9 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.739 -0.160 25702 4929 1 9 . 1 1 71 71 ALA C C 71 175.531 175.531 175.676 -0.145 25702 4930 1 9 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.440 0.052 25702 4931 1 9 . 1 1 71 71 ALA CB C 71 21.362 21.362 21.401 -0.038 25702 4932 1 9 . 1 1 71 71 ALA H H 71 7.861 7.861 7.621 0.240 25702 4933 1 9 . 1 1 72 72 MET N N 72 118.991 118.991 120.603 -1.612 25702 4934 1 9 . 1 1 72 72 MET HA H 72 4.879 4.879 4.942 -0.063 25702 4935 1 9 . 1 1 72 72 MET CA C 72 51.907 51.907 52.208 -0.301 25702 4936 1 9 . 1 1 72 72 MET CB C 72 35.595 35.595 35.115 0.480 25702 4937 1 9 . 1 1 72 72 MET H H 72 8.553 8.553 8.361 0.192 25702 4938 1 9 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.824 0.182 25702 4939 1 9 . 1 1 73 73 PRO C C 73 176.015 176.015 176.013 0.002 25702 4940 1 9 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.146 0.883 25702 4941 1 9 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.455 0.910 25702 4942 1 9 . 1 1 74 74 THR N N 74 114.577 114.577 115.791 -1.214 25702 4943 1 9 . 1 1 74 74 THR HA H 74 5.013 5.013 5.031 -0.018 25702 4944 1 9 . 1 1 74 74 THR C C 74 171.538 171.538 173.401 -1.863 25702 4945 1 9 . 1 1 74 74 THR CA C 74 63.556 63.556 62.517 1.039 25702 4946 1 9 . 1 1 74 74 THR CB C 74 73.238 73.238 72.044 1.194 25702 4947 1 9 . 1 1 74 74 THR H H 74 7.772 7.772 9.228 -1.456 25702 4948 1 9 . 1 1 75 75 LEU N N 75 131.086 131.086 127.648 3.438 25702 4949 1 9 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.309 0.177 25702 4950 1 9 . 1 1 75 75 LEU C C 75 174.827 174.827 175.479 -0.652 25702 4951 1 9 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.580 -1.258 25702 4952 1 9 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.245 0.904 25702 4953 1 9 . 1 1 75 75 LEU H H 75 9.517 9.517 9.473 0.044 25702 4954 1 9 . 1 1 76 76 LEU N N 76 123.573 123.573 125.788 -2.215 25702 4955 1 9 . 1 1 76 76 LEU HA H 76 4.903 4.903 5.012 -0.109 25702 4956 1 9 . 1 1 76 76 LEU C C 76 174.229 174.229 175.264 -1.035 25702 4957 1 9 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.952 -0.465 25702 4958 1 9 . 1 1 76 76 LEU CB C 76 46.070 46.070 44.916 1.154 25702 4959 1 9 . 1 1 76 76 LEU H H 76 9.214 9.214 9.293 -0.079 25702 4960 1 9 . 1 1 77 77 LEU N N 77 123.032 123.032 125.634 -2.602 25702 4961 1 9 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.529 -0.281 25702 4962 1 9 . 1 1 77 77 LEU C C 77 174.961 174.961 175.917 -0.956 25702 4963 1 9 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.666 1.063 25702 4964 1 9 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.739 -0.048 25702 4965 1 9 . 1 1 77 77 LEU H H 77 8.189 8.189 9.109 -0.920 25702 4966 1 9 . 1 1 78 78 PHE N N 78 121.929 121.929 123.375 -1.446 25702 4967 1 9 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.969 0.428 25702 4968 1 9 . 1 1 78 78 PHE C C 78 174.427 174.427 174.197 0.230 25702 4969 1 9 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.881 -0.500 25702 4970 1 9 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.153 0.166 25702 4971 1 9 . 1 1 78 78 PHE H H 78 9.748 9.748 9.100 0.648 25702 4972 1 9 . 1 1 79 79 LYS N N 79 117.221 117.221 120.100 -2.879 25702 4973 1 9 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.196 -0.383 25702 4974 1 9 . 1 1 79 79 LYS C C 79 177.709 177.709 176.244 1.465 25702 4975 1 9 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.312 2.110 25702 4976 1 9 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.977 0.293 25702 4977 1 9 . 1 1 79 79 LYS H H 79 8.741 8.741 9.304 -0.563 25702 4978 1 9 . 1 1 80 80 ASN N N 80 125.563 125.563 122.394 3.169 25702 4979 1 9 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.369 -0.064 25702 4980 1 9 . 1 1 80 80 ASN C C 80 175.395 175.395 175.592 -0.197 25702 4981 1 9 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.853 0.616 25702 4982 1 9 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.700 0.971 25702 4983 1 9 . 1 1 80 80 ASN H H 80 8.890 8.890 9.233 -0.343 25702 4984 1 9 . 1 1 81 81 GLY N N 81 102.976 102.976 103.212 -0.236 25702 4985 1 9 . 1 1 81 81 GLY C C 81 173.223 173.223 174.224 -1.001 25702 4986 1 9 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.545 0.100 25702 4987 1 9 . 1 1 81 81 GLY H H 81 8.640 8.640 8.713 -0.073 25702 4988 1 9 . 1 1 82 82 LYS N N 82 119.280 119.280 119.869 -0.589 25702 4989 1 9 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.851 -0.128 25702 4990 1 9 . 1 1 82 82 LYS C C 82 174.897 174.897 175.317 -0.420 25702 4991 1 9 . 1 1 82 82 LYS CA C 82 54.355 54.355 53.720 0.635 25702 4992 1 9 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.355 -0.028 25702 4993 1 9 . 1 1 82 82 LYS H H 82 7.583 7.583 7.988 -0.405 25702 4994 1 9 . 1 1 83 83 GLU N N 83 125.460 125.460 119.990 5.470 25702 4995 1 9 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.437 0.422 25702 4996 1 9 . 1 1 83 83 GLU C C 83 177.249 177.249 177.176 0.073 25702 4997 1 9 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.589 -0.630 25702 4998 1 9 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.072 0.440 25702 4999 1 9 . 1 1 83 83 GLU H H 83 8.818 8.818 8.665 0.153 25702 5000 1 9 . 1 1 84 84 VAL N N 84 121.989 121.989 113.540 8.449 25702 5001 1 9 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.419 0.003 25702 5002 1 9 . 1 1 84 84 VAL C C 84 175.625 175.625 175.018 0.607 25702 5003 1 9 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.952 -0.869 25702 5004 1 9 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.482 -1.391 25702 5005 1 9 . 1 1 84 84 VAL H H 84 9.281 9.281 8.463 0.818 25702 5006 1 9 . 1 1 85 85 ALA N N 85 121.284 121.284 121.830 -0.546 25702 5007 1 9 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.473 -0.074 25702 5008 1 9 . 1 1 85 85 ALA C C 85 173.805 173.805 174.158 -0.353 25702 5009 1 9 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.002 0.654 25702 5010 1 9 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.644 0.343 25702 5011 1 9 . 1 1 85 85 ALA H H 85 7.564 7.564 7.652 -0.088 25702 5012 1 9 . 1 1 86 86 LYS N N 86 119.558 119.558 122.896 -3.338 25702 5013 1 9 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.350 -0.404 25702 5014 1 9 . 1 1 86 86 LYS C C 86 174.999 174.999 175.005 -0.006 25702 5015 1 9 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.559 -0.221 25702 5016 1 9 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.418 0.187 25702 5017 1 9 . 1 1 86 86 LYS H H 86 8.000 8.000 8.297 -0.297 25702 5018 1 9 . 1 1 87 87 VAL N N 87 126.118 126.118 126.525 -0.407 25702 5019 1 9 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.452 0.251 25702 5020 1 9 . 1 1 87 87 VAL C C 87 174.516 174.516 175.100 -0.584 25702 5021 1 9 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.295 0.084 25702 5022 1 9 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.353 -1.166 25702 5023 1 9 . 1 1 87 87 VAL H H 87 9.198 9.198 9.220 -0.022 25702 5024 1 9 . 1 1 88 88 VAL N N 88 128.549 128.549 122.128 6.421 25702 5025 1 9 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.874 -0.420 25702 5026 1 9 . 1 1 88 88 VAL C C 88 176.142 176.142 175.555 0.587 25702 5027 1 9 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.049 0.933 25702 5028 1 9 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.625 2.016 25702 5029 1 9 . 1 1 88 88 VAL H H 88 9.031 9.031 8.631 0.400 25702 5030 1 9 . 1 1 89 89 GLY N N 89 114.516 114.516 109.627 4.889 25702 5031 1 9 . 1 1 89 89 GLY C C 89 173.063 173.063 172.855 0.208 25702 5032 1 9 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.568 -2.062 25702 5033 1 9 . 1 1 89 89 GLY H H 89 8.379 8.379 7.432 0.947 25702 5034 1 9 . 1 1 90 90 ALA N N 90 122.292 122.292 124.883 -2.591 25702 5035 1 9 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.289 -0.094 25702 5036 1 9 . 1 1 90 90 ALA C C 90 174.897 174.897 176.869 -1.972 25702 5037 1 9 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.534 -2.095 25702 5038 1 9 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.497 -0.616 25702 5039 1 9 . 1 1 90 90 ALA H H 90 8.592 8.592 8.572 0.020 25702 5040 1 9 . 1 1 91 91 ASN N N 91 120.220 120.220 124.222 -4.002 25702 5041 1 9 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.071 0.040 25702 5042 1 9 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.593 0.419 25702 5043 1 9 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.508 -0.529 25702 5044 1 9 . 1 1 91 91 ASN H H 91 7.386 7.386 8.271 -0.885 25702 5045 1 9 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.256 -0.228 25702 5046 1 9 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.733 -4.636 25702 5047 1 9 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.290 -0.195 25702 5048 1 9 . 1 1 93 93 ALA C C 93 180.205 180.205 179.682 0.523 25702 5049 1 9 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.834 0.332 25702 5050 1 9 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.091 -0.110 25702 5051 1 9 . 1 1 94 94 ALA N N 94 120.499 120.499 121.093 -0.594 25702 5052 1 9 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.150 -0.089 25702 5053 1 9 . 1 1 94 94 ALA C C 94 180.917 180.917 179.606 1.311 25702 5054 1 9 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.581 -0.321 25702 5055 1 9 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.729 0.069 25702 5056 1 9 . 1 1 94 94 ALA H H 94 7.223 7.223 8.387 -1.164 25702 5057 1 9 . 1 1 95 95 ILE N N 95 119.397 119.397 118.108 1.289 25702 5058 1 9 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.872 -0.520 25702 5059 1 9 . 1 1 95 95 ILE C C 95 176.217 176.217 177.166 -0.949 25702 5060 1 9 . 1 1 95 95 ILE CA C 95 65.953 65.953 62.223 3.730 25702 5061 1 9 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.731 1.649 25702 5062 1 9 . 1 1 95 95 ILE H H 95 7.772 7.772 8.713 -0.941 25702 5063 1 9 . 1 1 96 96 LYS N N 96 118.919 118.919 121.941 -3.022 25702 5064 1 9 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.791 -0.774 25702 5065 1 9 . 1 1 96 96 LYS C C 96 177.824 177.824 179.071 -1.247 25702 5066 1 9 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.425 1.201 25702 5067 1 9 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.133 0.032 25702 5068 1 9 . 1 1 96 96 LYS H H 96 8.112 8.112 7.790 0.322 25702 5069 1 9 . 1 1 97 97 GLN N N 97 115.480 115.480 118.353 -2.873 25702 5070 1 9 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.073 -0.221 25702 5071 1 9 . 1 1 97 97 GLN C C 97 178.014 178.014 177.756 0.258 25702 5072 1 9 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.502 0.081 25702 5073 1 9 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.633 -0.289 25702 5074 1 9 . 1 1 97 97 GLN H H 97 7.686 7.686 8.161 -0.475 25702 5075 1 9 . 1 1 98 98 ALA N N 98 120.911 120.911 123.732 -2.821 25702 5076 1 9 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.984 -0.054 25702 5077 1 9 . 1 1 98 98 ALA C C 98 179.544 179.544 179.608 -0.064 25702 5078 1 9 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.142 -0.393 25702 5079 1 9 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.011 -0.096 25702 5080 1 9 . 1 1 98 98 ALA H H 98 7.446 7.446 7.376 0.070 25702 5081 1 9 . 1 1 99 99 ILE N N 99 117.780 117.780 117.777 0.003 25702 5082 1 9 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.603 -0.556 25702 5083 1 9 . 1 1 99 99 ILE C C 99 177.087 177.087 178.192 -1.105 25702 5084 1 9 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.764 2.695 25702 5085 1 9 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.928 2.204 25702 5086 1 9 . 1 1 99 99 ILE H H 99 7.735 7.735 8.395 -0.660 25702 5087 1 9 . 1 1 100 100 ALA N N 100 119.516 119.516 121.329 -1.813 25702 5088 1 9 . 1 1 100 100 ALA C C 100 180.431 180.431 178.690 1.741 25702 5089 1 9 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.362 0.883 25702 5090 1 9 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.035 0.258 25702 5091 1 9 . 1 1 100 100 ALA H H 100 8.214 8.214 7.386 0.828 25702 5092 1 9 . 1 1 101 101 ALA N N 101 115.674 115.674 120.673 -4.999 25702 5093 1 9 . 1 1 101 101 ALA HA H 101 4.070 4.070 3.991 0.079 25702 5094 1 9 . 1 1 101 101 ALA C C 101 178.213 178.213 179.124 -0.911 25702 5095 1 9 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.931 -0.047 25702 5096 1 9 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.129 -0.086 25702 5097 1 9 . 1 1 101 101 ALA H H 101 7.619 7.619 7.370 0.249 25702 5098 1 9 . 1 1 102 102 ASN N N 102 115.986 115.986 114.248 1.738 25702 5099 1 9 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.624 0.160 25702 5100 1 9 . 1 1 102 102 ASN C C 102 172.740 172.740 175.792 -3.052 25702 5101 1 9 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.061 0.239 25702 5102 1 9 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.545 3.344 25702 5103 1 9 . 1 1 102 102 ASN H H 102 7.116 7.116 8.406 -1.290 25702 5104 1 10 . 1 1 2 2 VAL N N 2 125.020 125.020 119.882 5.138 25702 5105 1 10 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.272 -0.194 25702 5106 1 10 . 1 1 2 2 VAL C C 2 175.261 175.261 175.742 -0.481 25702 5107 1 10 . 1 1 2 2 VAL CA C 2 61.049 61.049 60.618 0.431 25702 5108 1 10 . 1 1 2 2 VAL CB C 2 32.667 32.667 34.309 -1.642 25702 5109 1 10 . 1 1 2 2 VAL H H 2 8.590 8.590 8.305 0.285 25702 5110 1 10 . 1 1 3 3 THR N N 3 125.759 125.759 122.871 2.888 25702 5111 1 10 . 1 1 3 3 THR HA H 3 4.138 4.138 4.292 -0.154 25702 5112 1 10 . 1 1 3 3 THR C C 3 173.129 173.129 173.335 -0.206 25702 5113 1 10 . 1 1 3 3 THR CA C 3 62.804 62.804 62.542 0.262 25702 5114 1 10 . 1 1 3 3 THR CB C 3 69.547 69.547 69.775 -0.228 25702 5115 1 10 . 1 1 3 3 THR H H 3 7.778 7.778 8.339 -0.561 25702 5116 1 10 . 1 1 4 4 GLN N N 4 127.746 127.746 123.566 4.180 25702 5117 1 10 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.603 0.136 25702 5118 1 10 . 1 1 4 4 GLN C C 4 176.754 176.754 175.398 1.356 25702 5119 1 10 . 1 1 4 4 GLN CA C 4 54.435 54.435 54.880 -0.445 25702 5120 1 10 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.826 -0.296 25702 5121 1 10 . 1 1 4 4 GLN H H 4 8.975 8.975 8.520 0.455 25702 5122 1 10 . 1 1 5 5 PHE N N 5 126.242 126.242 126.078 0.164 25702 5123 1 10 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.883 -0.066 25702 5124 1 10 . 1 1 5 5 PHE C C 5 176.102 176.102 176.658 -0.556 25702 5125 1 10 . 1 1 5 5 PHE CA C 5 58.528 58.528 55.875 2.653 25702 5126 1 10 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.417 0.103 25702 5127 1 10 . 1 1 5 5 PHE H H 5 8.422 8.422 8.911 -0.489 25702 5128 1 10 . 1 1 6 6 LYS N N 6 119.482 119.482 117.344 2.138 25702 5129 1 10 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.604 0.017 25702 5130 1 10 . 1 1 6 6 LYS C C 6 176.994 176.994 175.897 1.097 25702 5131 1 10 . 1 1 6 6 LYS CA C 6 56.015 56.015 55.802 0.213 25702 5132 1 10 . 1 1 6 6 LYS CB C 6 34.132 34.132 35.407 -1.275 25702 5133 1 10 . 1 1 6 6 LYS H H 6 9.822 9.822 9.629 0.193 25702 5134 1 10 . 1 1 7 7 THR N N 7 107.464 107.464 109.724 -2.260 25702 5135 1 10 . 1 1 7 7 THR HA H 7 4.597 4.597 4.647 -0.050 25702 5136 1 10 . 1 1 7 7 THR C C 7 173.921 173.921 174.519 -0.598 25702 5137 1 10 . 1 1 7 7 THR CA C 7 59.155 59.155 59.447 -0.292 25702 5138 1 10 . 1 1 7 7 THR CB C 7 72.660 72.660 72.470 0.190 25702 5139 1 10 . 1 1 7 7 THR H H 7 7.484 7.484 7.638 -0.154 25702 5140 1 10 . 1 1 8 8 ALA N N 8 123.987 123.987 123.882 0.105 25702 5141 1 10 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.115 -0.406 25702 5142 1 10 . 1 1 8 8 ALA C C 8 179.409 179.409 179.118 0.291 25702 5143 1 10 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.706 0.295 25702 5144 1 10 . 1 1 8 8 ALA CB C 8 18.090 18.090 17.923 0.167 25702 5145 1 10 . 1 1 8 8 ALA H H 8 9.031 9.031 8.923 0.108 25702 5146 1 10 . 1 1 9 9 SER N N 9 112.387 112.387 114.450 -2.063 25702 5147 1 10 . 1 1 9 9 SER HA H 9 4.127 4.127 4.056 0.071 25702 5148 1 10 . 1 1 9 9 SER C C 9 177.070 177.070 176.803 0.267 25702 5149 1 10 . 1 1 9 9 SER CA C 9 61.109 61.109 61.932 -0.823 25702 5150 1 10 . 1 1 9 9 SER CB C 9 62.226 62.226 62.207 0.019 25702 5151 1 10 . 1 1 9 9 SER H H 9 8.161 8.161 8.482 -0.321 25702 5152 1 10 . 1 1 10 10 GLU N N 10 121.941 121.941 121.951 -0.010 25702 5153 1 10 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.754 0.097 25702 5154 1 10 . 1 1 10 10 GLU C C 10 178.776 178.776 178.124 0.652 25702 5155 1 10 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.744 -0.061 25702 5156 1 10 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.024 1.980 25702 5157 1 10 . 1 1 10 10 GLU H H 10 7.522 7.522 7.353 0.169 25702 5158 1 10 . 1 1 11 11 PHE N N 11 120.541 120.541 119.863 0.678 25702 5159 1 10 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.356 -0.510 25702 5160 1 10 . 1 1 11 11 PHE C C 11 174.944 174.944 176.869 -1.925 25702 5161 1 10 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.946 -0.239 25702 5162 1 10 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.855 -1.117 25702 5163 1 10 . 1 1 11 11 PHE H H 11 6.624 6.624 7.155 -0.531 25702 5164 1 10 . 1 1 12 12 ASP N N 12 117.847 117.847 118.794 -0.947 25702 5165 1 10 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.125 -0.294 25702 5166 1 10 . 1 1 12 12 ASP C C 12 178.767 178.767 178.766 0.001 25702 5167 1 10 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.742 -0.524 25702 5168 1 10 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.220 0.079 25702 5169 1 10 . 1 1 12 12 ASP H H 12 7.637 7.637 8.249 -0.612 25702 5170 1 10 . 1 1 13 13 SER N N 13 111.904 111.904 115.423 -3.519 25702 5171 1 10 . 1 1 13 13 SER HA H 13 4.034 4.034 4.130 -0.096 25702 5172 1 10 . 1 1 13 13 SER C C 13 176.341 176.341 176.459 -0.118 25702 5173 1 10 . 1 1 13 13 SER CA C 13 60.857 60.857 61.013 -0.156 25702 5174 1 10 . 1 1 13 13 SER CB C 13 63.144 63.144 63.086 0.058 25702 5175 1 10 . 1 1 13 13 SER H H 13 7.539 7.539 8.095 -0.556 25702 5176 1 10 . 1 1 14 14 ALA N N 14 123.793 123.793 122.851 0.942 25702 5177 1 10 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.979 0.048 25702 5178 1 10 . 1 1 14 14 ALA C C 14 180.358 180.358 179.561 0.797 25702 5179 1 10 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.304 0.536 25702 5180 1 10 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.300 0.526 25702 5181 1 10 . 1 1 14 14 ALA H H 14 7.647 7.647 7.447 0.200 25702 5182 1 10 . 1 1 15 15 ILE N N 15 106.782 106.782 118.724 -11.942 25702 5183 1 10 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.673 0.047 25702 5184 1 10 . 1 1 15 15 ILE C C 15 176.012 176.012 177.796 -1.784 25702 5185 1 10 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.666 1.829 25702 5186 1 10 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.198 1.597 25702 5187 1 10 . 1 1 15 15 ILE H H 15 7.146 7.146 7.607 -0.461 25702 5188 1 10 . 1 1 16 16 ALA N N 16 122.248 122.248 119.058 3.190 25702 5189 1 10 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.259 -0.228 25702 5190 1 10 . 1 1 16 16 ALA C C 16 177.072 177.072 176.875 0.197 25702 5191 1 10 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.750 -0.000 25702 5192 1 10 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.344 0.026 25702 5193 1 10 . 1 1 16 16 ALA H H 16 6.627 6.627 7.323 -0.696 25702 5194 1 10 . 1 1 17 17 GLN N N 17 115.254 115.254 118.461 -3.207 25702 5195 1 10 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.276 -0.057 25702 5196 1 10 . 1 1 17 17 GLN CA C 17 55.898 55.898 54.984 0.914 25702 5197 1 10 . 1 1 17 17 GLN CB C 17 33.964 33.964 30.366 3.598 25702 5198 1 10 . 1 1 17 17 GLN H H 17 7.136 7.136 7.326 -0.190 25702 5199 1 10 . 1 1 18 18 ASP N N 18 122.840 122.840 121.336 1.504 25702 5200 1 10 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.583 -0.051 25702 5201 1 10 . 1 1 18 18 ASP C C 18 175.348 175.348 175.550 -0.202 25702 5202 1 10 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.308 -0.798 25702 5203 1 10 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.455 -0.404 25702 5204 1 10 . 1 1 18 18 ASP H H 18 8.644 8.644 8.610 0.034 25702 5205 1 10 . 1 1 19 19 LYS N N 19 118.503 118.503 115.151 3.352 25702 5206 1 10 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.561 -0.178 25702 5207 1 10 . 1 1 19 19 LYS C C 19 173.289 173.289 174.772 -1.483 25702 5208 1 10 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.706 1.015 25702 5209 1 10 . 1 1 19 19 LYS CB C 19 34.216 34.216 35.276 -1.060 25702 5210 1 10 . 1 1 19 19 LYS H H 19 7.939 7.939 7.525 0.414 25702 5211 1 10 . 1 1 20 20 LEU N N 20 120.813 120.813 123.823 -3.010 25702 5212 1 10 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.966 -0.257 25702 5213 1 10 . 1 1 20 20 LEU C C 20 174.429 174.429 175.585 -1.156 25702 5214 1 10 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.445 1.342 25702 5215 1 10 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.677 -0.116 25702 5216 1 10 . 1 1 20 20 LEU H H 20 8.625 8.625 8.814 -0.189 25702 5217 1 10 . 1 1 21 21 VAL N N 21 128.813 128.813 128.495 0.318 25702 5218 1 10 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.324 -0.059 25702 5219 1 10 . 1 1 21 21 VAL C C 21 174.618 174.618 175.096 -0.478 25702 5220 1 10 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.671 -0.088 25702 5221 1 10 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.414 2.163 25702 5222 1 10 . 1 1 21 21 VAL H H 21 9.251 9.251 9.183 0.068 25702 5223 1 10 . 1 1 22 22 VAL N N 22 130.243 130.243 129.843 0.400 25702 5224 1 10 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.254 0.009 25702 5225 1 10 . 1 1 22 22 VAL C C 22 174.802 174.802 174.727 0.075 25702 5226 1 10 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.735 -0.093 25702 5227 1 10 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.984 0.840 25702 5228 1 10 . 1 1 22 22 VAL H H 22 8.969 8.969 9.026 -0.057 25702 5229 1 10 . 1 1 23 23 VAL N N 23 125.526 125.526 128.582 -3.056 25702 5230 1 10 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.740 -0.088 25702 5231 1 10 . 1 1 23 23 VAL C C 23 174.086 174.086 174.943 -0.857 25702 5232 1 10 . 1 1 23 23 VAL CA C 23 61.783 61.783 61.090 0.693 25702 5233 1 10 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.135 1.289 25702 5234 1 10 . 1 1 23 23 VAL H H 23 9.555 9.555 9.006 0.549 25702 5235 1 10 . 1 1 24 24 ALA N N 24 130.468 130.468 131.067 -0.599 25702 5236 1 10 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.920 0.083 25702 5237 1 10 . 1 1 24 24 ALA C C 24 175.093 175.093 176.044 -0.951 25702 5238 1 10 . 1 1 24 24 ALA CA C 24 51.109 51.109 51.012 0.097 25702 5239 1 10 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.454 0.089 25702 5240 1 10 . 1 1 24 24 ALA H H 24 9.004 9.004 9.441 -0.437 25702 5241 1 10 . 1 1 25 25 PHE N N 25 124.289 124.289 126.317 -2.028 25702 5242 1 10 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.645 -0.626 25702 5243 1 10 . 1 1 25 25 PHE C C 25 174.794 174.794 174.854 -0.060 25702 5244 1 10 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.985 1.635 25702 5245 1 10 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.266 -1.501 25702 5246 1 10 . 1 1 25 25 PHE H H 25 9.455 9.455 9.253 0.202 25702 5247 1 10 . 1 1 26 26 TYR N N 26 120.967 120.967 120.839 0.128 25702 5248 1 10 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.866 0.485 25702 5249 1 10 . 1 1 26 26 TYR C C 26 171.352 171.352 172.277 -0.925 25702 5250 1 10 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.948 -1.117 25702 5251 1 10 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.409 2.525 25702 5252 1 10 . 1 1 26 26 TYR H H 26 8.908 8.908 8.488 0.420 25702 5253 1 10 . 1 1 27 27 ALA N N 27 119.133 119.133 120.938 -1.805 25702 5254 1 10 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.530 0.029 25702 5255 1 10 . 1 1 27 27 ALA C C 27 179.092 179.092 177.448 1.644 25702 5256 1 10 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.167 -0.013 25702 5257 1 10 . 1 1 27 27 ALA CB C 27 21.950 21.950 19.721 2.229 25702 5258 1 10 . 1 1 27 27 ALA H H 27 6.962 6.962 8.410 -1.448 25702 5259 1 10 . 1 1 28 28 THR N N 28 116.784 116.784 120.146 -3.362 25702 5260 1 10 . 1 1 28 28 THR HA H 28 3.867 3.867 4.062 -0.195 25702 5261 1 10 . 1 1 28 28 THR C C 28 174.957 174.957 174.991 -0.034 25702 5262 1 10 . 1 1 28 28 THR CA C 28 64.820 64.820 64.855 -0.035 25702 5263 1 10 . 1 1 28 28 THR CB C 28 69.197 69.197 68.866 0.331 25702 5264 1 10 . 1 1 28 28 THR H H 28 10.053 10.053 8.663 1.390 25702 5265 1 10 . 1 1 29 29 TRP N N 29 114.763 114.763 117.579 -2.816 25702 5266 1 10 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.684 -0.162 25702 5267 1 10 . 1 1 29 29 TRP C C 29 175.478 175.478 175.574 -0.096 25702 5268 1 10 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.705 -2.200 25702 5269 1 10 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.765 0.579 25702 5270 1 10 . 1 1 29 29 TRP H H 29 6.495 6.495 7.224 -0.729 25702 5271 1 10 . 1 1 30 30 CYS N N 30 122.729 122.729 121.446 1.283 25702 5272 1 10 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.730 -0.239 25702 5273 1 10 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.584 -0.082 25702 5274 1 10 . 1 1 30 30 CYS CB C 30 27.648 27.648 30.076 -2.428 25702 5275 1 10 . 1 1 30 30 CYS H H 30 6.484 6.484 7.395 -0.911 25702 5276 1 10 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.278 -0.318 25702 5277 1 10 . 1 1 33 33 CYS C C 33 176.605 176.605 175.772 0.833 25702 5278 1 10 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.231 2.332 25702 5279 1 10 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.509 0.718 25702 5280 1 10 . 1 1 34 34 LYS N N 34 120.638 120.638 120.832 -0.194 25702 5281 1 10 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.983 -0.061 25702 5282 1 10 . 1 1 34 34 LYS C C 34 178.623 178.623 177.009 1.614 25702 5283 1 10 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.074 1.048 25702 5284 1 10 . 1 1 34 34 LYS CB C 34 32.187 32.187 30.966 1.221 25702 5285 1 10 . 1 1 34 34 LYS H H 34 7.828 7.828 7.584 0.244 25702 5286 1 10 . 1 1 35 35 MET N N 35 115.754 115.754 118.988 -3.234 25702 5287 1 10 . 1 1 35 35 MET HA H 35 4.230 4.230 4.325 -0.095 25702 5288 1 10 . 1 1 35 35 MET C C 35 177.927 177.927 177.542 0.385 25702 5289 1 10 . 1 1 35 35 MET CA C 35 56.931 56.931 56.765 0.166 25702 5290 1 10 . 1 1 35 35 MET CB C 35 32.038 32.038 33.102 -1.064 25702 5291 1 10 . 1 1 35 35 MET H H 35 7.612 7.612 7.374 0.238 25702 5292 1 10 . 1 1 36 36 ILE N N 36 114.905 114.905 119.384 -4.479 25702 5293 1 10 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.823 0.429 25702 5294 1 10 . 1 1 36 36 ILE C C 36 176.681 176.681 177.131 -0.450 25702 5295 1 10 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.849 -1.706 25702 5296 1 10 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.152 1.733 25702 5297 1 10 . 1 1 36 36 ILE H H 36 7.399 7.399 7.447 -0.048 25702 5298 1 10 . 1 1 37 37 ALA N N 37 125.154 125.154 123.644 1.510 25702 5299 1 10 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.893 0.186 25702 5300 1 10 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.768 0.303 25702 5301 1 10 . 1 1 37 37 ALA CB C 37 15.458 15.458 15.944 -0.486 25702 5302 1 10 . 1 1 37 37 ALA H H 37 7.587 7.587 7.474 0.113 25702 5303 1 10 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.329 -0.090 25702 5304 1 10 . 1 1 38 38 PRO C C 38 179.456 179.456 178.232 1.224 25702 5305 1 10 . 1 1 38 38 PRO CA C 38 65.187 65.187 65.197 -0.010 25702 5306 1 10 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.502 -0.739 25702 5307 1 10 . 1 1 39 39 MET N N 39 117.231 117.231 118.638 -1.407 25702 5308 1 10 . 1 1 39 39 MET HA H 39 3.854 3.854 4.209 -0.355 25702 5309 1 10 . 1 1 39 39 MET C C 39 177.388 177.388 178.162 -0.774 25702 5310 1 10 . 1 1 39 39 MET CA C 39 57.916 57.916 58.167 -0.251 25702 5311 1 10 . 1 1 39 39 MET CB C 39 32.238 32.238 31.991 0.247 25702 5312 1 10 . 1 1 39 39 MET H H 39 7.051 7.051 7.613 -0.562 25702 5313 1 10 . 1 1 40 40 ILE N N 40 117.419 117.419 119.228 -1.809 25702 5314 1 10 . 1 1 40 40 ILE HA H 40 3.675 3.675 4.014 -0.339 25702 5315 1 10 . 1 1 40 40 ILE C C 40 177.699 177.699 177.103 0.596 25702 5316 1 10 . 1 1 40 40 ILE CA C 40 63.669 63.669 65.140 -1.471 25702 5317 1 10 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.189 -2.418 25702 5318 1 10 . 1 1 40 40 ILE H H 40 7.825 7.825 7.698 0.127 25702 5319 1 10 . 1 1 41 41 GLU N N 41 119.014 119.014 120.289 -1.275 25702 5320 1 10 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.661 -0.075 25702 5321 1 10 . 1 1 41 41 GLU C C 41 180.065 180.065 178.138 1.927 25702 5322 1 10 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.933 0.474 25702 5323 1 10 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.281 -0.807 25702 5324 1 10 . 1 1 41 41 GLU H H 41 7.475 7.475 7.610 -0.135 25702 5325 1 10 . 1 1 42 42 LYS N N 42 120.988 120.988 118.232 2.756 25702 5326 1 10 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.951 -0.034 25702 5327 1 10 . 1 1 42 42 LYS C C 42 179.895 179.895 178.788 1.107 25702 5328 1 10 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.719 0.314 25702 5329 1 10 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.418 -1.573 25702 5330 1 10 . 1 1 42 42 LYS H H 42 7.402 7.402 7.755 -0.353 25702 5331 1 10 . 1 1 43 43 PHE N N 43 118.946 118.946 118.857 0.089 25702 5332 1 10 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.877 -0.713 25702 5333 1 10 . 1 1 43 43 PHE C C 43 177.806 177.806 176.450 1.356 25702 5334 1 10 . 1 1 43 43 PHE CA C 43 60.022 60.022 60.041 -0.019 25702 5335 1 10 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.076 -0.656 25702 5336 1 10 . 1 1 43 43 PHE H H 43 8.270 8.270 7.687 0.583 25702 5337 1 10 . 1 1 44 44 SER N N 44 116.035 116.035 113.682 2.353 25702 5338 1 10 . 1 1 44 44 SER HA H 44 2.873 2.873 4.271 -1.398 25702 5339 1 10 . 1 1 44 44 SER C C 44 175.522 175.522 175.781 -0.259 25702 5340 1 10 . 1 1 44 44 SER CA C 44 60.173 60.173 59.163 1.010 25702 5341 1 10 . 1 1 44 44 SER CB C 44 61.911 61.911 62.821 -0.910 25702 5342 1 10 . 1 1 44 44 SER H H 44 7.763 7.763 6.761 1.002 25702 5343 1 10 . 1 1 45 45 GLU N N 45 120.563 120.563 121.892 -1.329 25702 5344 1 10 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.919 0.140 25702 5345 1 10 . 1 1 45 45 GLU C C 45 177.798 177.798 178.090 -0.292 25702 5346 1 10 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.722 -1.419 25702 5347 1 10 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.515 0.122 25702 5348 1 10 . 1 1 45 45 GLU H H 45 6.888 6.888 7.413 -0.525 25702 5349 1 10 . 1 1 46 46 GLN N N 46 118.400 118.400 116.669 1.731 25702 5350 1 10 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.217 -0.290 25702 5351 1 10 . 1 1 46 46 GLN C C 46 175.422 175.422 176.241 -0.819 25702 5352 1 10 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.644 -0.611 25702 5353 1 10 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.455 -0.765 25702 5354 1 10 . 1 1 46 46 GLN H H 46 7.451 7.451 7.495 -0.044 25702 5355 1 10 . 1 1 47 47 TYR N N 47 115.979 115.979 115.048 0.931 25702 5356 1 10 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.112 -0.129 25702 5357 1 10 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.630 2.454 25702 5358 1 10 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.236 -0.162 25702 5359 1 10 . 1 1 47 47 TYR H H 47 7.433 7.433 7.444 -0.011 25702 5360 1 10 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.592 0.119 25702 5361 1 10 . 1 1 48 48 PRO C C 48 177.453 177.453 177.285 0.168 25702 5362 1 10 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.059 0.235 25702 5363 1 10 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.083 -0.213 25702 5364 1 10 . 1 1 49 49 GLN N N 49 119.035 119.035 116.711 2.324 25702 5365 1 10 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.256 0.104 25702 5366 1 10 . 1 1 49 49 GLN C C 49 174.990 174.990 175.738 -0.748 25702 5367 1 10 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.846 -0.386 25702 5368 1 10 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.840 -0.061 25702 5369 1 10 . 1 1 49 49 GLN H H 49 9.617 9.617 8.440 1.177 25702 5370 1 10 . 1 1 50 50 ALA N N 50 127.008 127.008 121.078 5.930 25702 5371 1 10 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.630 0.417 25702 5372 1 10 . 1 1 50 50 ALA C C 50 175.173 175.173 176.252 -1.079 25702 5373 1 10 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.536 -0.487 25702 5374 1 10 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.491 0.675 25702 5375 1 10 . 1 1 50 50 ALA H H 50 8.170 8.170 7.480 0.690 25702 5376 1 10 . 1 1 51 51 ASP N N 51 120.039 120.039 121.107 -1.068 25702 5377 1 10 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.417 0.688 25702 5378 1 10 . 1 1 51 51 ASP C C 51 174.707 174.707 174.958 -0.251 25702 5379 1 10 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.690 -0.686 25702 5380 1 10 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.072 1.201 25702 5381 1 10 . 1 1 51 51 ASP H H 51 8.411 8.411 8.448 -0.037 25702 5382 1 10 . 1 1 52 52 PHE N N 52 120.670 120.670 120.810 -0.140 25702 5383 1 10 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.197 -0.018 25702 5384 1 10 . 1 1 52 52 PHE C C 52 174.633 174.633 174.027 0.606 25702 5385 1 10 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.427 1.285 25702 5386 1 10 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.046 2.828 25702 5387 1 10 . 1 1 52 52 PHE H H 52 8.943 8.943 7.176 1.767 25702 5388 1 10 . 1 1 53 53 TYR N N 53 120.949 120.949 122.652 -1.703 25702 5389 1 10 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.315 0.162 25702 5390 1 10 . 1 1 53 53 TYR C C 53 174.507 174.507 174.952 -0.445 25702 5391 1 10 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.649 -0.936 25702 5392 1 10 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.855 2.987 25702 5393 1 10 . 1 1 53 53 TYR H H 53 9.336 9.336 8.837 0.499 25702 5394 1 10 . 1 1 54 54 LYS N N 54 115.771 115.771 119.815 -4.044 25702 5395 1 10 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.537 -0.038 25702 5396 1 10 . 1 1 54 54 LYS C C 54 173.200 173.200 174.100 -0.900 25702 5397 1 10 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.862 -1.367 25702 5398 1 10 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.752 -1.796 25702 5399 1 10 . 1 1 54 54 LYS H H 54 8.451 8.451 8.969 -0.518 25702 5400 1 10 . 1 1 55 55 LEU N N 55 123.037 123.037 120.143 2.894 25702 5401 1 10 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.500 -0.029 25702 5402 1 10 . 1 1 55 55 LEU C C 55 172.053 172.053 172.941 -0.888 25702 5403 1 10 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.464 0.922 25702 5404 1 10 . 1 1 55 55 LEU CB C 55 45.813 45.813 45.965 -0.152 25702 5405 1 10 . 1 1 55 55 LEU H H 55 8.783 8.783 8.854 -0.071 25702 5406 1 10 . 1 1 56 56 ASP N N 56 126.250 126.250 124.819 1.431 25702 5407 1 10 . 1 1 56 56 ASP HA H 56 4.157 4.157 4.822 -0.665 25702 5408 1 10 . 1 1 56 56 ASP C C 56 178.219 178.219 177.700 0.519 25702 5409 1 10 . 1 1 56 56 ASP CA C 56 52.242 52.242 54.430 -2.188 25702 5410 1 10 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.439 -0.691 25702 5411 1 10 . 1 1 56 56 ASP H H 56 8.580 8.580 8.486 0.094 25702 5412 1 10 . 1 1 57 57 VAL N N 57 123.015 123.015 120.348 2.667 25702 5413 1 10 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.979 -0.563 25702 5414 1 10 . 1 1 57 57 VAL C C 57 175.672 175.672 176.488 -0.816 25702 5415 1 10 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.705 -0.009 25702 5416 1 10 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.930 -0.927 25702 5417 1 10 . 1 1 57 57 VAL H H 57 8.767 8.767 8.551 0.216 25702 5418 1 10 . 1 1 58 58 ASP N N 58 118.536 118.536 118.537 -0.001 25702 5419 1 10 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.692 0.003 25702 5420 1 10 . 1 1 58 58 ASP C C 58 177.541 177.541 177.256 0.285 25702 5421 1 10 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.056 -0.897 25702 5422 1 10 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.033 -0.563 25702 5423 1 10 . 1 1 58 58 ASP H H 58 8.653 8.653 8.243 0.410 25702 5424 1 10 . 1 1 59 59 GLU N N 59 119.610 119.610 117.889 1.721 25702 5425 1 10 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.374 -0.021 25702 5426 1 10 . 1 1 59 59 GLU C C 59 177.106 177.106 177.142 -0.036 25702 5427 1 10 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.365 0.004 25702 5428 1 10 . 1 1 59 59 GLU CB C 59 31.700 31.700 31.366 0.335 25702 5429 1 10 . 1 1 59 59 GLU H H 59 7.596 7.596 7.698 -0.102 25702 5430 1 10 . 1 1 60 60 LEU N N 60 121.513 121.513 121.565 -0.052 25702 5431 1 10 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.753 0.159 25702 5432 1 10 . 1 1 60 60 LEU C C 60 177.050 177.050 176.703 0.347 25702 5433 1 10 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.992 -0.628 25702 5434 1 10 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.818 1.804 25702 5435 1 10 . 1 1 60 60 LEU H H 60 7.689 7.689 8.413 -0.724 25702 5436 1 10 . 1 1 61 61 GLY N N 61 111.170 111.170 110.055 1.115 25702 5437 1 10 . 1 1 61 61 GLY C C 61 176.313 176.313 175.640 0.673 25702 5438 1 10 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.230 0.993 25702 5439 1 10 . 1 1 61 61 GLY H H 61 8.218 8.218 8.484 -0.266 25702 5440 1 10 . 1 1 62 62 ASP N N 62 119.711 119.711 120.256 -0.545 25702 5441 1 10 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.394 -0.076 25702 5442 1 10 . 1 1 62 62 ASP C C 62 178.935 178.935 177.941 0.994 25702 5443 1 10 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.635 0.044 25702 5444 1 10 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.573 -1.310 25702 5445 1 10 . 1 1 62 62 ASP H H 62 9.141 9.141 8.569 0.572 25702 5446 1 10 . 1 1 63 63 VAL N N 63 120.511 120.511 119.713 0.798 25702 5447 1 10 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.639 -0.316 25702 5448 1 10 . 1 1 63 63 VAL C C 63 179.266 179.266 177.590 1.676 25702 5449 1 10 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.341 -0.947 25702 5450 1 10 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.624 -0.332 25702 5451 1 10 . 1 1 63 63 VAL H H 63 7.275 7.275 7.715 -0.440 25702 5452 1 10 . 1 1 64 64 ALA N N 64 122.711 122.711 120.749 1.962 25702 5453 1 10 . 1 1 64 64 ALA HA H 64 3.790 3.790 4.012 -0.222 25702 5454 1 10 . 1 1 64 64 ALA C C 64 178.540 178.540 179.877 -1.337 25702 5455 1 10 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.468 0.417 25702 5456 1 10 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.397 -0.580 25702 5457 1 10 . 1 1 64 64 ALA H H 64 7.264 7.264 7.798 -0.534 25702 5458 1 10 . 1 1 65 65 GLN N N 65 117.988 117.988 116.197 1.791 25702 5459 1 10 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.149 -0.092 25702 5460 1 10 . 1 1 65 65 GLN C C 65 180.544 180.544 178.354 2.190 25702 5461 1 10 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.215 1.794 25702 5462 1 10 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.646 -0.345 25702 5463 1 10 . 1 1 65 65 GLN H H 65 8.344 8.344 7.813 0.531 25702 5464 1 10 . 1 1 66 66 LYS N N 66 120.050 120.050 119.264 0.786 25702 5465 1 10 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.031 0.023 25702 5466 1 10 . 1 1 66 66 LYS C C 66 176.954 176.954 177.310 -0.356 25702 5467 1 10 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.236 0.581 25702 5468 1 10 . 1 1 66 66 LYS CB C 66 32.179 32.179 31.877 0.302 25702 5469 1 10 . 1 1 66 66 LYS H H 66 7.971 7.971 7.873 0.098 25702 5470 1 10 . 1 1 67 67 ASN N N 67 114.553 114.553 113.949 0.604 25702 5471 1 10 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.520 0.256 25702 5472 1 10 . 1 1 67 67 ASN C C 67 171.614 171.614 174.372 -2.758 25702 5473 1 10 . 1 1 67 67 ASN CA C 67 54.080 54.080 53.083 0.997 25702 5474 1 10 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.250 0.859 25702 5475 1 10 . 1 1 67 67 ASN H H 67 7.064 7.064 7.340 -0.276 25702 5476 1 10 . 1 1 68 68 GLU N N 68 114.491 114.491 114.127 0.364 25702 5477 1 10 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.923 -0.182 25702 5478 1 10 . 1 1 68 68 GLU C C 68 175.660 175.660 174.002 1.658 25702 5479 1 10 . 1 1 68 68 GLU CA C 68 57.006 57.006 56.978 0.028 25702 5480 1 10 . 1 1 68 68 GLU CB C 68 26.972 26.972 27.964 -0.992 25702 5481 1 10 . 1 1 68 68 GLU H H 68 7.755 7.755 7.663 0.092 25702 5482 1 10 . 1 1 69 69 VAL N N 69 120.375 120.375 118.656 1.719 25702 5483 1 10 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.379 -0.475 25702 5484 1 10 . 1 1 69 69 VAL C C 69 175.415 175.415 174.292 1.123 25702 5485 1 10 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.038 1.832 25702 5486 1 10 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.752 -0.838 25702 5487 1 10 . 1 1 69 69 VAL H H 69 7.787 7.787 7.887 -0.100 25702 5488 1 10 . 1 1 70 70 SER N N 70 121.558 121.558 123.783 -2.225 25702 5489 1 10 . 1 1 70 70 SER HA H 70 4.488 4.488 4.592 -0.104 25702 5490 1 10 . 1 1 70 70 SER C C 70 172.616 172.616 173.826 -1.210 25702 5491 1 10 . 1 1 70 70 SER CA C 70 57.728 57.728 58.763 -1.035 25702 5492 1 10 . 1 1 70 70 SER CB C 70 64.713 64.713 64.456 0.257 25702 5493 1 10 . 1 1 70 70 SER H H 70 8.565 8.565 8.578 -0.013 25702 5494 1 10 . 1 1 71 71 ALA N N 71 125.848 125.848 124.937 0.911 25702 5495 1 10 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.688 -0.109 25702 5496 1 10 . 1 1 71 71 ALA C C 71 175.531 175.531 175.795 -0.264 25702 5497 1 10 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.514 -0.022 25702 5498 1 10 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.685 0.677 25702 5499 1 10 . 1 1 71 71 ALA H H 71 7.861 7.861 7.934 -0.073 25702 5500 1 10 . 1 1 72 72 MET N N 72 118.991 118.991 121.531 -2.540 25702 5501 1 10 . 1 1 72 72 MET HA H 72 4.879 4.879 4.926 -0.047 25702 5502 1 10 . 1 1 72 72 MET CA C 72 51.907 51.907 52.593 -0.686 25702 5503 1 10 . 1 1 72 72 MET CB C 72 35.595 35.595 35.050 0.545 25702 5504 1 10 . 1 1 72 72 MET H H 72 8.553 8.553 8.551 0.002 25702 5505 1 10 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.860 0.146 25702 5506 1 10 . 1 1 73 73 PRO C C 73 176.015 176.015 175.983 0.032 25702 5507 1 10 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.227 0.802 25702 5508 1 10 . 1 1 73 73 PRO CB C 73 34.365 34.365 32.955 1.410 25702 5509 1 10 . 1 1 74 74 THR N N 74 114.577 114.577 115.042 -0.465 25702 5510 1 10 . 1 1 74 74 THR HA H 74 5.013 5.013 5.033 -0.020 25702 5511 1 10 . 1 1 74 74 THR C C 74 171.538 171.538 173.195 -1.657 25702 5512 1 10 . 1 1 74 74 THR CA C 74 63.556 63.556 62.422 1.134 25702 5513 1 10 . 1 1 74 74 THR CB C 74 73.238 73.238 72.627 0.611 25702 5514 1 10 . 1 1 74 74 THR H H 74 7.772 7.772 9.220 -1.448 25702 5515 1 10 . 1 1 75 75 LEU N N 75 131.086 131.086 126.229 4.857 25702 5516 1 10 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.393 0.093 25702 5517 1 10 . 1 1 75 75 LEU C C 75 174.827 174.827 175.371 -0.544 25702 5518 1 10 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.238 -0.916 25702 5519 1 10 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.920 0.229 25702 5520 1 10 . 1 1 75 75 LEU H H 75 9.517 9.517 9.264 0.253 25702 5521 1 10 . 1 1 76 76 LEU N N 76 123.573 123.573 124.989 -1.416 25702 5522 1 10 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.814 0.089 25702 5523 1 10 . 1 1 76 76 LEU C C 76 174.229 174.229 175.040 -0.811 25702 5524 1 10 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.832 -0.345 25702 5525 1 10 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.137 0.933 25702 5526 1 10 . 1 1 76 76 LEU H H 76 9.214 9.214 9.182 0.032 25702 5527 1 10 . 1 1 77 77 LEU N N 77 123.032 123.032 125.912 -2.880 25702 5528 1 10 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.592 -0.344 25702 5529 1 10 . 1 1 77 77 LEU C C 77 174.961 174.961 175.879 -0.918 25702 5530 1 10 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.376 1.353 25702 5531 1 10 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.724 -0.033 25702 5532 1 10 . 1 1 77 77 LEU H H 77 8.189 8.189 9.129 -0.940 25702 5533 1 10 . 1 1 78 78 PHE N N 78 121.929 121.929 122.535 -0.606 25702 5534 1 10 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.808 0.589 25702 5535 1 10 . 1 1 78 78 PHE C C 78 174.427 174.427 174.311 0.116 25702 5536 1 10 . 1 1 78 78 PHE CA C 78 56.381 56.381 57.004 -0.623 25702 5537 1 10 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.082 0.236 25702 5538 1 10 . 1 1 78 78 PHE H H 78 9.748 9.748 9.260 0.488 25702 5539 1 10 . 1 1 79 79 LYS N N 79 117.221 117.221 121.304 -4.083 25702 5540 1 10 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.206 -0.393 25702 5541 1 10 . 1 1 79 79 LYS C C 79 177.709 177.709 176.196 1.513 25702 5542 1 10 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.447 2.975 25702 5543 1 10 . 1 1 79 79 LYS CB C 79 36.270 36.270 34.392 1.878 25702 5544 1 10 . 1 1 79 79 LYS H H 79 8.741 8.741 9.232 -0.491 25702 5545 1 10 . 1 1 80 80 ASN N N 80 125.563 125.563 126.447 -0.884 25702 5546 1 10 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.500 -0.195 25702 5547 1 10 . 1 1 80 80 ASN C C 80 175.395 175.395 175.394 0.001 25702 5548 1 10 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.827 0.642 25702 5549 1 10 . 1 1 80 80 ASN CB C 80 37.671 37.671 37.194 0.478 25702 5550 1 10 . 1 1 80 80 ASN H H 80 8.890 8.890 8.845 0.045 25702 5551 1 10 . 1 1 81 81 GLY N N 81 102.976 102.976 103.348 -0.372 25702 5552 1 10 . 1 1 81 81 GLY C C 81 173.223 173.223 174.092 -0.869 25702 5553 1 10 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.614 0.031 25702 5554 1 10 . 1 1 81 81 GLY H H 81 8.640 8.640 8.541 0.099 25702 5555 1 10 . 1 1 82 82 LYS N N 82 119.280 119.280 119.098 0.182 25702 5556 1 10 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.671 0.052 25702 5557 1 10 . 1 1 82 82 LYS C C 82 174.897 174.897 175.043 -0.146 25702 5558 1 10 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.150 0.205 25702 5559 1 10 . 1 1 82 82 LYS CB C 82 35.327 35.327 36.006 -0.679 25702 5560 1 10 . 1 1 82 82 LYS H H 82 7.583 7.583 7.612 -0.029 25702 5561 1 10 . 1 1 83 83 GLU N N 83 125.460 125.460 119.933 5.527 25702 5562 1 10 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.663 0.196 25702 5563 1 10 . 1 1 83 83 GLU C C 83 177.249 177.249 177.165 0.084 25702 5564 1 10 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.462 -0.502 25702 5565 1 10 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.154 0.358 25702 5566 1 10 . 1 1 83 83 GLU H H 83 8.818 8.818 8.643 0.175 25702 5567 1 10 . 1 1 84 84 VAL N N 84 121.989 121.989 114.530 7.459 25702 5568 1 10 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.373 0.049 25702 5569 1 10 . 1 1 84 84 VAL C C 84 175.625 175.625 174.978 0.647 25702 5570 1 10 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.890 -0.807 25702 5571 1 10 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.310 -1.220 25702 5572 1 10 . 1 1 84 84 VAL H H 84 9.281 9.281 8.077 1.204 25702 5573 1 10 . 1 1 85 85 ALA N N 85 121.284 121.284 122.537 -1.253 25702 5574 1 10 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.610 -0.211 25702 5575 1 10 . 1 1 85 85 ALA C C 85 173.805 173.805 174.532 -0.727 25702 5576 1 10 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.127 0.529 25702 5577 1 10 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.207 0.780 25702 5578 1 10 . 1 1 85 85 ALA H H 85 7.564 7.564 7.439 0.125 25702 5579 1 10 . 1 1 86 86 LYS N N 86 119.558 119.558 120.101 -0.543 25702 5580 1 10 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.370 -0.424 25702 5581 1 10 . 1 1 86 86 LYS C C 86 174.999 174.999 174.656 0.343 25702 5582 1 10 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.084 0.255 25702 5583 1 10 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.814 -0.209 25702 5584 1 10 . 1 1 86 86 LYS H H 86 8.000 8.000 8.170 -0.170 25702 5585 1 10 . 1 1 87 87 VAL N N 87 126.118 126.118 123.687 2.431 25702 5586 1 10 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.380 0.323 25702 5587 1 10 . 1 1 87 87 VAL C C 87 174.516 174.516 175.267 -0.751 25702 5588 1 10 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.354 0.025 25702 5589 1 10 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.046 -0.859 25702 5590 1 10 . 1 1 87 87 VAL H H 87 9.198 9.198 9.143 0.055 25702 5591 1 10 . 1 1 88 88 VAL N N 88 128.549 128.549 123.037 5.512 25702 5592 1 10 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.428 0.026 25702 5593 1 10 . 1 1 88 88 VAL C C 88 176.142 176.142 175.922 0.220 25702 5594 1 10 . 1 1 88 88 VAL CA C 88 61.982 61.982 60.242 1.740 25702 5595 1 10 . 1 1 88 88 VAL CB C 88 32.641 32.641 29.576 3.065 25702 5596 1 10 . 1 1 88 88 VAL H H 88 9.031 9.031 8.659 0.372 25702 5597 1 10 . 1 1 89 89 GLY N N 89 114.516 114.516 109.990 4.526 25702 5598 1 10 . 1 1 89 89 GLY C C 89 173.063 173.063 172.691 0.372 25702 5599 1 10 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.412 -1.906 25702 5600 1 10 . 1 1 89 89 GLY H H 89 8.379 8.379 7.648 0.731 25702 5601 1 10 . 1 1 90 90 ALA N N 90 122.292 122.292 123.471 -1.179 25702 5602 1 10 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.159 0.036 25702 5603 1 10 . 1 1 90 90 ALA C C 90 174.897 174.897 176.386 -1.489 25702 5604 1 10 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.616 -2.177 25702 5605 1 10 . 1 1 90 90 ALA CB C 90 17.881 17.881 19.034 -1.153 25702 5606 1 10 . 1 1 90 90 ALA H H 90 8.592 8.592 8.507 0.085 25702 5607 1 10 . 1 1 91 91 ASN N N 91 120.220 120.220 123.842 -3.622 25702 5608 1 10 . 1 1 91 91 ASN HA H 91 5.111 5.111 4.961 0.150 25702 5609 1 10 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.581 0.431 25702 5610 1 10 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.389 -0.410 25702 5611 1 10 . 1 1 91 91 ASN H H 91 7.386 7.386 8.621 -1.235 25702 5612 1 10 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.082 -0.054 25702 5613 1 10 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.549 -4.452 25702 5614 1 10 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.156 -0.061 25702 5615 1 10 . 1 1 93 93 ALA C C 93 180.205 180.205 179.386 0.819 25702 5616 1 10 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.619 0.547 25702 5617 1 10 . 1 1 93 93 ALA CB C 93 17.981 17.981 17.872 0.109 25702 5618 1 10 . 1 1 94 94 ALA N N 94 120.499 120.499 122.315 -1.816 25702 5619 1 10 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.122 -0.061 25702 5620 1 10 . 1 1 94 94 ALA C C 94 180.917 180.917 179.860 1.057 25702 5621 1 10 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.664 -0.404 25702 5622 1 10 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.533 0.265 25702 5623 1 10 . 1 1 94 94 ALA H H 94 7.223 7.223 8.378 -1.155 25702 5624 1 10 . 1 1 95 95 ILE N N 95 119.397 119.397 118.324 1.073 25702 5625 1 10 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.769 -0.417 25702 5626 1 10 . 1 1 95 95 ILE C C 95 176.217 176.217 177.945 -1.728 25702 5627 1 10 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.574 2.379 25702 5628 1 10 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.800 1.580 25702 5629 1 10 . 1 1 95 95 ILE H H 95 7.772 7.772 8.807 -1.035 25702 5630 1 10 . 1 1 96 96 LYS N N 96 118.919 118.919 119.966 -1.047 25702 5631 1 10 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.447 -1.430 25702 5632 1 10 . 1 1 96 96 LYS C C 96 177.824 177.824 179.827 -2.003 25702 5633 1 10 . 1 1 96 96 LYS CA C 96 60.626 60.626 58.710 1.916 25702 5634 1 10 . 1 1 96 96 LYS CB C 96 32.165 32.165 31.973 0.192 25702 5635 1 10 . 1 1 96 96 LYS H H 96 8.112 8.112 7.509 0.603 25702 5636 1 10 . 1 1 97 97 GLN N N 97 115.480 115.480 119.031 -3.551 25702 5637 1 10 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.090 -0.238 25702 5638 1 10 . 1 1 97 97 GLN C C 97 178.014 178.014 177.934 0.080 25702 5639 1 10 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.498 0.085 25702 5640 1 10 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.777 -0.433 25702 5641 1 10 . 1 1 97 97 GLN H H 97 7.686 7.686 8.355 -0.669 25702 5642 1 10 . 1 1 98 98 ALA N N 98 120.911 120.911 123.310 -2.399 25702 5643 1 10 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.011 -0.081 25702 5644 1 10 . 1 1 98 98 ALA C C 98 179.544 179.544 180.099 -0.555 25702 5645 1 10 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.123 -0.374 25702 5646 1 10 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.082 -0.167 25702 5647 1 10 . 1 1 98 98 ALA H H 98 7.446 7.446 7.667 -0.221 25702 5648 1 10 . 1 1 99 99 ILE N N 99 117.780 117.780 118.736 -0.956 25702 5649 1 10 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.940 -0.893 25702 5650 1 10 . 1 1 99 99 ILE C C 99 177.087 177.087 178.275 -1.188 25702 5651 1 10 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.563 2.896 25702 5652 1 10 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.746 2.386 25702 5653 1 10 . 1 1 99 99 ILE H H 99 7.735 7.735 8.343 -0.608 25702 5654 1 10 . 1 1 100 100 ALA N N 100 119.516 119.516 121.178 -1.662 25702 5655 1 10 . 1 1 100 100 ALA C C 100 180.431 180.431 178.295 2.136 25702 5656 1 10 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.858 1.387 25702 5657 1 10 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.296 -0.003 25702 5658 1 10 . 1 1 100 100 ALA H H 100 8.214 8.214 7.342 0.872 25702 5659 1 10 . 1 1 101 101 ALA N N 101 115.674 115.674 121.739 -6.065 25702 5660 1 10 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.120 -0.050 25702 5661 1 10 . 1 1 101 101 ALA C C 101 178.213 178.213 178.853 -0.640 25702 5662 1 10 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.473 0.411 25702 5663 1 10 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.585 -0.542 25702 5664 1 10 . 1 1 101 101 ALA H H 101 7.619 7.619 8.242 -0.623 25702 5665 1 10 . 1 1 102 102 ASN N N 102 115.986 115.986 115.089 0.897 25702 5666 1 10 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.654 0.130 25702 5667 1 10 . 1 1 102 102 ASN C C 102 172.740 172.740 175.902 -3.162 25702 5668 1 10 . 1 1 102 102 ASN CA C 102 54.300 54.300 53.587 0.714 25702 5669 1 10 . 1 1 102 102 ASN CB C 102 42.889 42.889 38.756 4.133 25702 5670 1 10 . 1 1 102 102 ASN H H 102 7.116 7.116 8.201 -1.085 25702 5671 1 11 . 1 1 2 2 VAL N N 2 125.020 125.020 124.698 0.322 25702 5672 1 11 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.361 -0.283 25702 5673 1 11 . 1 1 2 2 VAL C C 2 175.261 175.261 175.533 -0.272 25702 5674 1 11 . 1 1 2 2 VAL CA C 2 61.049 61.049 60.460 0.589 25702 5675 1 11 . 1 1 2 2 VAL CB C 2 32.667 32.667 33.356 -0.689 25702 5676 1 11 . 1 1 2 2 VAL H H 2 8.590 8.590 8.542 0.048 25702 5677 1 11 . 1 1 3 3 THR N N 3 125.759 125.759 124.289 1.470 25702 5678 1 11 . 1 1 3 3 THR HA H 3 4.138 4.138 4.284 -0.146 25702 5679 1 11 . 1 1 3 3 THR C C 3 173.129 173.129 173.642 -0.513 25702 5680 1 11 . 1 1 3 3 THR CA C 3 62.804 62.804 63.295 -0.491 25702 5681 1 11 . 1 1 3 3 THR CB C 3 69.547 69.547 69.433 0.114 25702 5682 1 11 . 1 1 3 3 THR H H 3 7.778 7.778 8.649 -0.871 25702 5683 1 11 . 1 1 4 4 GLN N N 4 127.746 127.746 121.683 6.063 25702 5684 1 11 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.883 -0.144 25702 5685 1 11 . 1 1 4 4 GLN C C 4 176.754 176.754 176.051 0.703 25702 5686 1 11 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.542 -1.107 25702 5687 1 11 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.950 -0.420 25702 5688 1 11 . 1 1 4 4 GLN H H 4 8.975 8.975 8.402 0.573 25702 5689 1 11 . 1 1 5 5 PHE N N 5 126.242 126.242 123.919 2.323 25702 5690 1 11 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.867 -0.050 25702 5691 1 11 . 1 1 5 5 PHE C C 5 176.102 176.102 175.824 0.278 25702 5692 1 11 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.007 2.521 25702 5693 1 11 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.802 -0.282 25702 5694 1 11 . 1 1 5 5 PHE H H 5 8.422 8.422 8.187 0.235 25702 5695 1 11 . 1 1 6 6 LYS N N 6 119.482 119.482 120.167 -0.685 25702 5696 1 11 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.637 -0.016 25702 5697 1 11 . 1 1 6 6 LYS C C 6 176.994 176.994 175.889 1.105 25702 5698 1 11 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.002 0.013 25702 5699 1 11 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.540 -0.408 25702 5700 1 11 . 1 1 6 6 LYS H H 6 9.822 9.822 9.728 0.094 25702 5701 1 11 . 1 1 7 7 THR N N 7 107.464 107.464 110.708 -3.244 25702 5702 1 11 . 1 1 7 7 THR HA H 7 4.597 4.597 4.596 0.001 25702 5703 1 11 . 1 1 7 7 THR C C 7 173.921 173.921 174.145 -0.224 25702 5704 1 11 . 1 1 7 7 THR CA C 7 59.155 59.155 60.006 -0.851 25702 5705 1 11 . 1 1 7 7 THR CB C 7 72.660 72.660 72.462 0.198 25702 5706 1 11 . 1 1 7 7 THR H H 7 7.484 7.484 7.750 -0.266 25702 5707 1 11 . 1 1 8 8 ALA N N 8 123.987 123.987 124.424 -0.437 25702 5708 1 11 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.060 -0.351 25702 5709 1 11 . 1 1 8 8 ALA C C 8 179.409 179.409 179.140 0.269 25702 5710 1 11 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.887 0.115 25702 5711 1 11 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.114 -0.024 25702 5712 1 11 . 1 1 8 8 ALA H H 8 9.031 9.031 8.897 0.134 25702 5713 1 11 . 1 1 9 9 SER N N 9 112.387 112.387 114.411 -2.024 25702 5714 1 11 . 1 1 9 9 SER HA H 9 4.127 4.127 4.068 0.059 25702 5715 1 11 . 1 1 9 9 SER C C 9 177.070 177.070 176.907 0.163 25702 5716 1 11 . 1 1 9 9 SER CA C 9 61.109 61.109 61.630 -0.521 25702 5717 1 11 . 1 1 9 9 SER CB C 9 62.226 62.226 62.153 0.073 25702 5718 1 11 . 1 1 9 9 SER H H 9 8.161 8.161 8.477 -0.316 25702 5719 1 11 . 1 1 10 10 GLU N N 10 121.941 121.941 122.031 -0.090 25702 5720 1 11 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.814 0.036 25702 5721 1 11 . 1 1 10 10 GLU C C 10 178.776 178.776 178.014 0.762 25702 5722 1 11 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.882 -0.199 25702 5723 1 11 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.226 1.778 25702 5724 1 11 . 1 1 10 10 GLU H H 10 7.522 7.522 7.332 0.190 25702 5725 1 11 . 1 1 11 11 PHE N N 11 120.541 120.541 119.320 1.221 25702 5726 1 11 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.891 -0.045 25702 5727 1 11 . 1 1 11 11 PHE C C 11 174.944 174.944 176.984 -2.040 25702 5728 1 11 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.729 -0.022 25702 5729 1 11 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.812 -1.074 25702 5730 1 11 . 1 1 11 11 PHE H H 11 6.624 6.624 7.107 -0.483 25702 5731 1 11 . 1 1 12 12 ASP N N 12 117.847 117.847 118.070 -0.223 25702 5732 1 11 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.135 -0.304 25702 5733 1 11 . 1 1 12 12 ASP C C 12 178.767 178.767 178.612 0.155 25702 5734 1 11 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.392 -0.174 25702 5735 1 11 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.673 -0.374 25702 5736 1 11 . 1 1 12 12 ASP H H 12 7.637 7.637 8.290 -0.653 25702 5737 1 11 . 1 1 13 13 SER N N 13 111.904 111.904 115.599 -3.695 25702 5738 1 11 . 1 1 13 13 SER HA H 13 4.034 4.034 4.144 -0.110 25702 5739 1 11 . 1 1 13 13 SER C C 13 176.341 176.341 176.372 -0.031 25702 5740 1 11 . 1 1 13 13 SER CA C 13 60.857 60.857 61.043 -0.186 25702 5741 1 11 . 1 1 13 13 SER CB C 13 63.144 63.144 63.085 0.059 25702 5742 1 11 . 1 1 13 13 SER H H 13 7.539 7.539 7.767 -0.228 25702 5743 1 11 . 1 1 14 14 ALA N N 14 123.793 123.793 122.876 0.917 25702 5744 1 11 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.958 0.069 25702 5745 1 11 . 1 1 14 14 ALA C C 14 180.358 180.358 179.771 0.587 25702 5746 1 11 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.382 0.459 25702 5747 1 11 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.375 0.451 25702 5748 1 11 . 1 1 14 14 ALA H H 14 7.647 7.647 7.663 -0.016 25702 5749 1 11 . 1 1 15 15 ILE N N 15 106.782 106.782 118.811 -12.029 25702 5750 1 11 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.646 0.074 25702 5751 1 11 . 1 1 15 15 ILE C C 15 176.012 176.012 177.782 -1.770 25702 5752 1 11 . 1 1 15 15 ILE CA C 15 63.495 63.495 62.100 1.395 25702 5753 1 11 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.180 1.615 25702 5754 1 11 . 1 1 15 15 ILE H H 15 7.146 7.146 7.833 -0.687 25702 5755 1 11 . 1 1 16 16 ALA N N 16 122.248 122.248 118.870 3.378 25702 5756 1 11 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.329 -0.298 25702 5757 1 11 . 1 1 16 16 ALA C C 16 177.072 177.072 176.774 0.298 25702 5758 1 11 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.651 0.099 25702 5759 1 11 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.014 0.356 25702 5760 1 11 . 1 1 16 16 ALA H H 16 6.627 6.627 7.339 -0.712 25702 5761 1 11 . 1 1 17 17 GLN N N 17 115.254 115.254 119.142 -3.888 25702 5762 1 11 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.327 -0.108 25702 5763 1 11 . 1 1 17 17 GLN CA C 17 55.898 55.898 54.857 1.041 25702 5764 1 11 . 1 1 17 17 GLN CB C 17 33.964 33.964 30.349 3.615 25702 5765 1 11 . 1 1 17 17 GLN H H 17 7.136 7.136 7.227 -0.091 25702 5766 1 11 . 1 1 18 18 ASP N N 18 122.840 122.840 122.885 -0.045 25702 5767 1 11 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.626 -0.094 25702 5768 1 11 . 1 1 18 18 ASP C C 18 175.348 175.348 175.371 -0.023 25702 5769 1 11 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.645 -0.135 25702 5770 1 11 . 1 1 18 18 ASP CB C 18 39.050 39.050 38.290 0.760 25702 5771 1 11 . 1 1 18 18 ASP H H 18 8.644 8.644 8.609 0.035 25702 5772 1 11 . 1 1 19 19 LYS N N 19 118.503 118.503 116.278 2.225 25702 5773 1 11 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.490 -0.107 25702 5774 1 11 . 1 1 19 19 LYS C C 19 173.289 173.289 174.346 -1.057 25702 5775 1 11 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.615 0.106 25702 5776 1 11 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.122 0.094 25702 5777 1 11 . 1 1 19 19 LYS H H 19 7.939 7.939 7.801 0.138 25702 5778 1 11 . 1 1 20 20 LEU N N 20 120.813 120.813 123.851 -3.038 25702 5779 1 11 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.789 -0.080 25702 5780 1 11 . 1 1 20 20 LEU C C 20 174.429 174.429 175.755 -1.326 25702 5781 1 11 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.922 0.865 25702 5782 1 11 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.445 0.116 25702 5783 1 11 . 1 1 20 20 LEU H H 20 8.625 8.625 8.726 -0.101 25702 5784 1 11 . 1 1 21 21 VAL N N 21 128.813 128.813 127.388 1.425 25702 5785 1 11 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.394 -0.129 25702 5786 1 11 . 1 1 21 21 VAL C C 21 174.618 174.618 174.859 -0.241 25702 5787 1 11 . 1 1 21 21 VAL CA C 21 61.583 61.583 60.693 0.890 25702 5788 1 11 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.346 2.231 25702 5789 1 11 . 1 1 21 21 VAL H H 21 9.251 9.251 9.201 0.050 25702 5790 1 11 . 1 1 22 22 VAL N N 22 130.243 130.243 128.704 1.539 25702 5791 1 11 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.522 -0.259 25702 5792 1 11 . 1 1 22 22 VAL C C 22 174.802 174.802 174.831 -0.029 25702 5793 1 11 . 1 1 22 22 VAL CA C 22 61.642 61.642 60.616 1.026 25702 5794 1 11 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.723 1.101 25702 5795 1 11 . 1 1 22 22 VAL H H 22 8.969 8.969 8.845 0.124 25702 5796 1 11 . 1 1 23 23 VAL N N 23 125.526 125.526 128.247 -2.721 25702 5797 1 11 . 1 1 23 23 VAL HA H 23 4.652 4.652 5.102 -0.450 25702 5798 1 11 . 1 1 23 23 VAL C C 23 174.086 174.086 174.886 -0.800 25702 5799 1 11 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.645 1.138 25702 5800 1 11 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.827 0.597 25702 5801 1 11 . 1 1 23 23 VAL H H 23 9.555 9.555 9.177 0.378 25702 5802 1 11 . 1 1 24 24 ALA N N 24 130.468 130.468 130.419 0.049 25702 5803 1 11 . 1 1 24 24 ALA HA H 24 5.003 5.003 5.011 -0.008 25702 5804 1 11 . 1 1 24 24 ALA C C 24 175.093 175.093 175.979 -0.886 25702 5805 1 11 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.885 0.224 25702 5806 1 11 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.837 -0.294 25702 5807 1 11 . 1 1 24 24 ALA H H 24 9.004 9.004 9.569 -0.565 25702 5808 1 11 . 1 1 25 25 PHE N N 25 124.289 124.289 126.692 -2.403 25702 5809 1 11 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.699 -0.680 25702 5810 1 11 . 1 1 25 25 PHE C C 25 174.794 174.794 174.732 0.062 25702 5811 1 11 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.583 2.037 25702 5812 1 11 . 1 1 25 25 PHE CB C 25 39.765 39.765 40.958 -1.193 25702 5813 1 11 . 1 1 25 25 PHE H H 25 9.455 9.455 9.447 0.008 25702 5814 1 11 . 1 1 26 26 TYR N N 26 120.967 120.967 121.300 -0.333 25702 5815 1 11 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.924 0.427 25702 5816 1 11 . 1 1 26 26 TYR C C 26 171.352 171.352 172.743 -1.391 25702 5817 1 11 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.410 -0.579 25702 5818 1 11 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.728 2.206 25702 5819 1 11 . 1 1 26 26 TYR H H 26 8.908 8.908 8.379 0.529 25702 5820 1 11 . 1 1 27 27 ALA N N 27 119.133 119.133 120.803 -1.670 25702 5821 1 11 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.603 -0.044 25702 5822 1 11 . 1 1 27 27 ALA C C 27 179.092 179.092 177.543 1.549 25702 5823 1 11 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.099 0.055 25702 5824 1 11 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.111 1.839 25702 5825 1 11 . 1 1 27 27 ALA H H 27 6.962 6.962 8.390 -1.428 25702 5826 1 11 . 1 1 28 28 THR N N 28 116.784 116.784 119.817 -3.033 25702 5827 1 11 . 1 1 28 28 THR HA H 28 3.867 3.867 4.076 -0.209 25702 5828 1 11 . 1 1 28 28 THR C C 28 174.957 174.957 175.059 -0.102 25702 5829 1 11 . 1 1 28 28 THR CA C 28 64.820 64.820 65.423 -0.603 25702 5830 1 11 . 1 1 28 28 THR CB C 28 69.197 69.197 68.884 0.313 25702 5831 1 11 . 1 1 28 28 THR H H 28 10.053 10.053 8.689 1.364 25702 5832 1 11 . 1 1 29 29 TRP N N 29 114.763 114.763 117.961 -3.198 25702 5833 1 11 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.782 -0.260 25702 5834 1 11 . 1 1 29 29 TRP C C 29 175.478 175.478 175.992 -0.514 25702 5835 1 11 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.578 -2.073 25702 5836 1 11 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.756 0.588 25702 5837 1 11 . 1 1 29 29 TRP H H 29 6.495 6.495 7.642 -1.147 25702 5838 1 11 . 1 1 30 30 CYS N N 30 122.729 122.729 120.121 2.608 25702 5839 1 11 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.669 -0.178 25702 5840 1 11 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.628 -0.126 25702 5841 1 11 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.950 -2.302 25702 5842 1 11 . 1 1 30 30 CYS H H 30 6.484 6.484 7.291 -0.807 25702 5843 1 11 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.059 -0.099 25702 5844 1 11 . 1 1 33 33 CYS C C 33 176.605 176.605 175.697 0.908 25702 5845 1 11 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.803 2.760 25702 5846 1 11 . 1 1 33 33 CYS CB C 33 28.227 28.227 26.529 1.698 25702 5847 1 11 . 1 1 34 34 LYS N N 34 120.638 120.638 119.312 1.326 25702 5848 1 11 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.899 0.023 25702 5849 1 11 . 1 1 34 34 LYS C C 34 178.623 178.623 177.350 1.273 25702 5850 1 11 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.057 1.065 25702 5851 1 11 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.326 0.861 25702 5852 1 11 . 1 1 34 34 LYS H H 34 7.828 7.828 7.362 0.466 25702 5853 1 11 . 1 1 35 35 MET N N 35 115.754 115.754 118.719 -2.965 25702 5854 1 11 . 1 1 35 35 MET HA H 35 4.230 4.230 4.328 -0.098 25702 5855 1 11 . 1 1 35 35 MET C C 35 177.927 177.927 177.176 0.751 25702 5856 1 11 . 1 1 35 35 MET CA C 35 56.931 56.931 57.553 -0.622 25702 5857 1 11 . 1 1 35 35 MET CB C 35 32.038 32.038 33.633 -1.595 25702 5858 1 11 . 1 1 35 35 MET H H 35 7.612 7.612 7.592 0.020 25702 5859 1 11 . 1 1 36 36 ILE N N 36 114.905 114.905 119.826 -4.921 25702 5860 1 11 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.857 0.395 25702 5861 1 11 . 1 1 36 36 ILE C C 36 176.681 176.681 177.132 -0.451 25702 5862 1 11 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.207 -2.064 25702 5863 1 11 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.244 1.641 25702 5864 1 11 . 1 1 36 36 ILE H H 36 7.399 7.399 7.520 -0.121 25702 5865 1 11 . 1 1 37 37 ALA N N 37 125.154 125.154 123.629 1.525 25702 5866 1 11 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.957 0.122 25702 5867 1 11 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.828 0.243 25702 5868 1 11 . 1 1 37 37 ALA CB C 37 15.458 15.458 15.971 -0.513 25702 5869 1 11 . 1 1 37 37 ALA H H 37 7.587 7.587 7.469 0.118 25702 5870 1 11 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.360 -0.121 25702 5871 1 11 . 1 1 38 38 PRO C C 38 179.456 179.456 177.966 1.490 25702 5872 1 11 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.646 0.541 25702 5873 1 11 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.732 -0.969 25702 5874 1 11 . 1 1 39 39 MET N N 39 117.231 117.231 118.558 -1.327 25702 5875 1 11 . 1 1 39 39 MET HA H 39 3.854 3.854 4.249 -0.395 25702 5876 1 11 . 1 1 39 39 MET C C 39 177.388 177.388 177.905 -0.517 25702 5877 1 11 . 1 1 39 39 MET CA C 39 57.916 57.916 57.997 -0.081 25702 5878 1 11 . 1 1 39 39 MET CB C 39 32.238 32.238 32.065 0.173 25702 5879 1 11 . 1 1 39 39 MET H H 39 7.051 7.051 7.706 -0.655 25702 5880 1 11 . 1 1 40 40 ILE N N 40 117.419 117.419 119.760 -2.341 25702 5881 1 11 . 1 1 40 40 ILE HA H 40 3.675 3.675 4.088 -0.413 25702 5882 1 11 . 1 1 40 40 ILE C C 40 177.699 177.699 177.315 0.384 25702 5883 1 11 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.342 -0.673 25702 5884 1 11 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.215 -2.444 25702 5885 1 11 . 1 1 40 40 ILE H H 40 7.825 7.825 7.624 0.201 25702 5886 1 11 . 1 1 41 41 GLU N N 41 119.014 119.014 119.207 -0.193 25702 5887 1 11 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.714 -0.128 25702 5888 1 11 . 1 1 41 41 GLU C C 41 180.065 180.065 178.092 1.973 25702 5889 1 11 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.752 0.655 25702 5890 1 11 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.163 -0.689 25702 5891 1 11 . 1 1 41 41 GLU H H 41 7.475 7.475 7.684 -0.209 25702 5892 1 11 . 1 1 42 42 LYS N N 42 120.988 120.988 119.762 1.226 25702 5893 1 11 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.994 -0.077 25702 5894 1 11 . 1 1 42 42 LYS C C 42 179.895 179.895 178.691 1.204 25702 5895 1 11 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.867 0.167 25702 5896 1 11 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.358 -1.513 25702 5897 1 11 . 1 1 42 42 LYS H H 42 7.402 7.402 7.597 -0.195 25702 5898 1 11 . 1 1 43 43 PHE N N 43 118.946 118.946 118.226 0.720 25702 5899 1 11 . 1 1 43 43 PHE HA H 43 3.164 3.164 4.065 -0.901 25702 5900 1 11 . 1 1 43 43 PHE C C 43 177.806 177.806 177.061 0.745 25702 5901 1 11 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.478 0.543 25702 5902 1 11 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.260 -0.840 25702 5903 1 11 . 1 1 43 43 PHE H H 43 8.270 8.270 7.722 0.548 25702 5904 1 11 . 1 1 44 44 SER N N 44 116.035 116.035 113.083 2.952 25702 5905 1 11 . 1 1 44 44 SER HA H 44 2.873 2.873 4.263 -1.390 25702 5906 1 11 . 1 1 44 44 SER C C 44 175.522 175.522 175.356 0.166 25702 5907 1 11 . 1 1 44 44 SER CA C 44 60.173 60.173 59.108 1.065 25702 5908 1 11 . 1 1 44 44 SER CB C 44 61.911 61.911 63.011 -1.100 25702 5909 1 11 . 1 1 44 44 SER H H 44 7.763 7.763 6.763 1.000 25702 5910 1 11 . 1 1 45 45 GLU N N 45 120.563 120.563 120.897 -0.334 25702 5911 1 11 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.974 0.085 25702 5912 1 11 . 1 1 45 45 GLU C C 45 177.798 177.798 177.897 -0.099 25702 5913 1 11 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.322 -1.019 25702 5914 1 11 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.491 0.146 25702 5915 1 11 . 1 1 45 45 GLU H H 45 6.888 6.888 7.333 -0.445 25702 5916 1 11 . 1 1 46 46 GLN N N 46 118.400 118.400 116.887 1.513 25702 5917 1 11 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.131 -0.204 25702 5918 1 11 . 1 1 46 46 GLN C C 46 175.422 175.422 176.505 -1.083 25702 5919 1 11 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.668 -0.635 25702 5920 1 11 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.352 -0.662 25702 5921 1 11 . 1 1 46 46 GLN H H 46 7.451 7.451 7.357 0.094 25702 5922 1 11 . 1 1 47 47 TYR N N 47 115.979 115.979 113.598 2.381 25702 5923 1 11 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.086 -0.103 25702 5924 1 11 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.937 2.147 25702 5925 1 11 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.061 0.013 25702 5926 1 11 . 1 1 47 47 TYR H H 47 7.433 7.433 7.436 -0.003 25702 5927 1 11 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.626 0.085 25702 5928 1 11 . 1 1 48 48 PRO C C 48 177.453 177.453 177.551 -0.098 25702 5929 1 11 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.116 0.178 25702 5930 1 11 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.093 -0.223 25702 5931 1 11 . 1 1 49 49 GLN N N 49 119.035 119.035 116.974 2.061 25702 5932 1 11 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.277 0.083 25702 5933 1 11 . 1 1 49 49 GLN C C 49 174.990 174.990 175.802 -0.812 25702 5934 1 11 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.755 -0.295 25702 5935 1 11 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.783 -0.004 25702 5936 1 11 . 1 1 49 49 GLN H H 49 9.617 9.617 8.491 1.126 25702 5937 1 11 . 1 1 50 50 ALA N N 50 127.008 127.008 121.714 5.294 25702 5938 1 11 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.553 0.494 25702 5939 1 11 . 1 1 50 50 ALA C C 50 175.173 175.173 175.741 -0.568 25702 5940 1 11 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.842 -0.793 25702 5941 1 11 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.648 0.518 25702 5942 1 11 . 1 1 50 50 ALA H H 50 8.170 8.170 7.592 0.578 25702 5943 1 11 . 1 1 51 51 ASP N N 51 120.039 120.039 120.105 -0.066 25702 5944 1 11 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.470 0.635 25702 5945 1 11 . 1 1 51 51 ASP C C 51 174.707 174.707 174.955 -0.248 25702 5946 1 11 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.874 -0.870 25702 5947 1 11 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.991 0.282 25702 5948 1 11 . 1 1 51 51 ASP H H 51 8.411 8.411 8.303 0.108 25702 5949 1 11 . 1 1 52 52 PHE N N 52 120.670 120.670 118.935 1.735 25702 5950 1 11 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.378 -0.199 25702 5951 1 11 . 1 1 52 52 PHE C C 52 174.633 174.633 173.901 0.732 25702 5952 1 11 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.181 1.531 25702 5953 1 11 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.849 2.025 25702 5954 1 11 . 1 1 52 52 PHE H H 52 8.943 8.943 7.132 1.811 25702 5955 1 11 . 1 1 53 53 TYR N N 53 120.949 120.949 122.565 -1.616 25702 5956 1 11 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.504 -0.027 25702 5957 1 11 . 1 1 53 53 TYR C C 53 174.507 174.507 174.352 0.155 25702 5958 1 11 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.706 -0.993 25702 5959 1 11 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.775 3.067 25702 5960 1 11 . 1 1 53 53 TYR H H 53 9.336 9.336 8.800 0.536 25702 5961 1 11 . 1 1 54 54 LYS N N 54 115.771 115.771 119.960 -4.189 25702 5962 1 11 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.534 -0.035 25702 5963 1 11 . 1 1 54 54 LYS C C 54 173.200 173.200 173.800 -0.600 25702 5964 1 11 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.073 -1.578 25702 5965 1 11 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.477 -1.522 25702 5966 1 11 . 1 1 54 54 LYS H H 54 8.451 8.451 9.253 -0.802 25702 5967 1 11 . 1 1 55 55 LEU N N 55 123.037 123.037 121.611 1.426 25702 5968 1 11 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.527 -0.056 25702 5969 1 11 . 1 1 55 55 LEU C C 55 172.053 172.053 173.169 -1.116 25702 5970 1 11 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.597 0.789 25702 5971 1 11 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.016 -0.203 25702 5972 1 11 . 1 1 55 55 LEU H H 55 8.783 8.783 8.785 -0.002 25702 5973 1 11 . 1 1 56 56 ASP N N 56 126.250 126.250 123.498 2.752 25702 5974 1 11 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.115 -0.958 25702 5975 1 11 . 1 1 56 56 ASP C C 56 178.219 178.219 177.667 0.552 25702 5976 1 11 . 1 1 56 56 ASP CA C 56 52.242 52.242 53.905 -1.663 25702 5977 1 11 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.264 -0.516 25702 5978 1 11 . 1 1 56 56 ASP H H 56 8.580 8.580 8.359 0.221 25702 5979 1 11 . 1 1 57 57 VAL N N 57 123.015 123.015 121.539 1.476 25702 5980 1 11 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.036 -0.620 25702 5981 1 11 . 1 1 57 57 VAL C C 57 175.672 175.672 176.192 -0.520 25702 5982 1 11 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.636 0.060 25702 5983 1 11 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.070 -1.067 25702 5984 1 11 . 1 1 57 57 VAL H H 57 8.767 8.767 8.525 0.242 25702 5985 1 11 . 1 1 58 58 ASP N N 58 118.536 118.536 119.063 -0.527 25702 5986 1 11 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.565 0.130 25702 5987 1 11 . 1 1 58 58 ASP C C 58 177.541 177.541 177.945 -0.404 25702 5988 1 11 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.103 -0.944 25702 5989 1 11 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.206 -0.736 25702 5990 1 11 . 1 1 58 58 ASP H H 58 8.653 8.653 8.310 0.343 25702 5991 1 11 . 1 1 59 59 GLU N N 59 119.610 119.610 119.004 0.606 25702 5992 1 11 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.290 0.063 25702 5993 1 11 . 1 1 59 59 GLU C C 59 177.106 177.106 177.074 0.032 25702 5994 1 11 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.873 -0.505 25702 5995 1 11 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.569 1.131 25702 5996 1 11 . 1 1 59 59 GLU H H 59 7.596 7.596 7.706 -0.110 25702 5997 1 11 . 1 1 60 60 LEU N N 60 121.513 121.513 120.915 0.598 25702 5998 1 11 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.700 0.212 25702 5999 1 11 . 1 1 60 60 LEU C C 60 177.050 177.050 176.689 0.361 25702 6000 1 11 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.724 -1.360 25702 6001 1 11 . 1 1 60 60 LEU CB C 60 41.622 41.622 41.956 -0.334 25702 6002 1 11 . 1 1 60 60 LEU H H 60 7.689 7.689 8.011 -0.322 25702 6003 1 11 . 1 1 61 61 GLY N N 61 111.170 111.170 110.325 0.845 25702 6004 1 11 . 1 1 61 61 GLY C C 61 176.313 176.313 175.461 0.852 25702 6005 1 11 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.029 1.194 25702 6006 1 11 . 1 1 61 61 GLY H H 61 8.218 8.218 8.766 -0.548 25702 6007 1 11 . 1 1 62 62 ASP N N 62 119.711 119.711 119.551 0.160 25702 6008 1 11 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.533 -0.215 25702 6009 1 11 . 1 1 62 62 ASP C C 62 178.935 178.935 177.593 1.342 25702 6010 1 11 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.501 0.178 25702 6011 1 11 . 1 1 62 62 ASP CB C 62 39.263 39.263 39.930 -0.667 25702 6012 1 11 . 1 1 62 62 ASP H H 62 9.141 9.141 8.595 0.546 25702 6013 1 11 . 1 1 63 63 VAL N N 63 120.511 120.511 121.538 -1.027 25702 6014 1 11 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.664 -0.341 25702 6015 1 11 . 1 1 63 63 VAL C C 63 179.266 179.266 177.659 1.607 25702 6016 1 11 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.001 -0.607 25702 6017 1 11 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.589 -0.297 25702 6018 1 11 . 1 1 63 63 VAL H H 63 7.275 7.275 7.558 -0.283 25702 6019 1 11 . 1 1 64 64 ALA N N 64 122.711 122.711 120.760 1.951 25702 6020 1 11 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.847 -0.057 25702 6021 1 11 . 1 1 64 64 ALA C C 64 178.540 178.540 179.912 -1.372 25702 6022 1 11 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.312 0.573 25702 6023 1 11 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.405 -0.588 25702 6024 1 11 . 1 1 64 64 ALA H H 64 7.264 7.264 7.709 -0.445 25702 6025 1 11 . 1 1 65 65 GLN N N 65 117.988 117.988 115.692 2.296 25702 6026 1 11 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.004 0.053 25702 6027 1 11 . 1 1 65 65 GLN C C 65 180.544 180.544 178.218 2.326 25702 6028 1 11 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.979 1.030 25702 6029 1 11 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.757 -0.456 25702 6030 1 11 . 1 1 65 65 GLN H H 65 8.344 8.344 8.237 0.107 25702 6031 1 11 . 1 1 66 66 LYS N N 66 120.050 120.050 118.912 1.138 25702 6032 1 11 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.017 0.037 25702 6033 1 11 . 1 1 66 66 LYS C C 66 176.954 176.954 177.028 -0.074 25702 6034 1 11 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.290 0.527 25702 6035 1 11 . 1 1 66 66 LYS CB C 66 32.179 32.179 31.950 0.229 25702 6036 1 11 . 1 1 66 66 LYS H H 66 7.971 7.971 7.647 0.324 25702 6037 1 11 . 1 1 67 67 ASN N N 67 114.553 114.553 115.771 -1.218 25702 6038 1 11 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.389 0.387 25702 6039 1 11 . 1 1 67 67 ASN C C 67 171.614 171.614 174.888 -3.274 25702 6040 1 11 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.801 1.279 25702 6041 1 11 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.324 1.785 25702 6042 1 11 . 1 1 67 67 ASN H H 67 7.064 7.064 7.349 -0.285 25702 6043 1 11 . 1 1 68 68 GLU N N 68 114.491 114.491 117.252 -2.761 25702 6044 1 11 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.930 -0.189 25702 6045 1 11 . 1 1 68 68 GLU C C 68 175.660 175.660 174.547 1.113 25702 6046 1 11 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.345 -0.339 25702 6047 1 11 . 1 1 68 68 GLU CB C 68 26.972 26.972 27.724 -0.752 25702 6048 1 11 . 1 1 68 68 GLU H H 68 7.755 7.755 7.809 -0.054 25702 6049 1 11 . 1 1 69 69 VAL N N 69 120.375 120.375 118.010 2.365 25702 6050 1 11 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.350 -0.446 25702 6051 1 11 . 1 1 69 69 VAL C C 69 175.415 175.415 174.525 0.890 25702 6052 1 11 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.151 1.719 25702 6053 1 11 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.156 -1.242 25702 6054 1 11 . 1 1 69 69 VAL H H 69 7.787 7.787 7.919 -0.132 25702 6055 1 11 . 1 1 70 70 SER N N 70 121.558 121.558 124.271 -2.713 25702 6056 1 11 . 1 1 70 70 SER HA H 70 4.488 4.488 4.522 -0.034 25702 6057 1 11 . 1 1 70 70 SER C C 70 172.616 172.616 175.144 -2.528 25702 6058 1 11 . 1 1 70 70 SER CA C 70 57.728 57.728 57.988 -0.260 25702 6059 1 11 . 1 1 70 70 SER CB C 70 64.713 64.713 63.593 1.120 25702 6060 1 11 . 1 1 70 70 SER H H 70 8.565 8.565 8.694 -0.129 25702 6061 1 11 . 1 1 71 71 ALA N N 71 125.848 125.848 124.676 1.172 25702 6062 1 11 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.612 -0.033 25702 6063 1 11 . 1 1 71 71 ALA C C 71 175.531 175.531 175.906 -0.375 25702 6064 1 11 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.750 -0.258 25702 6065 1 11 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.306 1.056 25702 6066 1 11 . 1 1 71 71 ALA H H 71 7.861 7.861 8.158 -0.297 25702 6067 1 11 . 1 1 72 72 MET N N 72 118.991 118.991 116.459 2.532 25702 6068 1 11 . 1 1 72 72 MET HA H 72 4.879 4.879 5.021 -0.142 25702 6069 1 11 . 1 1 72 72 MET CA C 72 51.907 51.907 52.408 -0.501 25702 6070 1 11 . 1 1 72 72 MET CB C 72 35.595 35.595 34.130 1.465 25702 6071 1 11 . 1 1 72 72 MET H H 72 8.553 8.553 8.235 0.318 25702 6072 1 11 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.915 0.091 25702 6073 1 11 . 1 1 73 73 PRO C C 73 176.015 176.015 175.989 0.026 25702 6074 1 11 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.401 0.628 25702 6075 1 11 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.421 0.944 25702 6076 1 11 . 1 1 74 74 THR N N 74 114.577 114.577 117.545 -2.968 25702 6077 1 11 . 1 1 74 74 THR HA H 74 5.013 5.013 5.064 -0.051 25702 6078 1 11 . 1 1 74 74 THR C C 74 171.538 171.538 173.301 -1.763 25702 6079 1 11 . 1 1 74 74 THR CA C 74 63.556 63.556 61.992 1.565 25702 6080 1 11 . 1 1 74 74 THR CB C 74 73.238 73.238 72.267 0.971 25702 6081 1 11 . 1 1 74 74 THR H H 74 7.772 7.772 9.156 -1.384 25702 6082 1 11 . 1 1 75 75 LEU N N 75 131.086 131.086 126.646 4.440 25702 6083 1 11 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.407 0.079 25702 6084 1 11 . 1 1 75 75 LEU C C 75 174.827 174.827 175.321 -0.494 25702 6085 1 11 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.082 -0.760 25702 6086 1 11 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.037 0.112 25702 6087 1 11 . 1 1 75 75 LEU H H 75 9.517 9.517 9.360 0.157 25702 6088 1 11 . 1 1 76 76 LEU N N 76 123.573 123.573 124.716 -1.143 25702 6089 1 11 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.773 0.130 25702 6090 1 11 . 1 1 76 76 LEU C C 76 174.229 174.229 175.069 -0.840 25702 6091 1 11 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.892 -0.405 25702 6092 1 11 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.150 0.920 25702 6093 1 11 . 1 1 76 76 LEU H H 76 9.214 9.214 9.162 0.052 25702 6094 1 11 . 1 1 77 77 LEU N N 77 123.032 123.032 125.512 -2.480 25702 6095 1 11 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.504 -0.256 25702 6096 1 11 . 1 1 77 77 LEU C C 77 174.961 174.961 175.701 -0.740 25702 6097 1 11 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.698 1.031 25702 6098 1 11 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.776 -0.085 25702 6099 1 11 . 1 1 77 77 LEU H H 77 8.189 8.189 9.020 -0.831 25702 6100 1 11 . 1 1 78 78 PHE N N 78 121.929 121.929 122.909 -0.980 25702 6101 1 11 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.883 0.514 25702 6102 1 11 . 1 1 78 78 PHE C C 78 174.427 174.427 174.129 0.298 25702 6103 1 11 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.852 -0.471 25702 6104 1 11 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.285 0.033 25702 6105 1 11 . 1 1 78 78 PHE H H 78 9.748 9.748 9.284 0.464 25702 6106 1 11 . 1 1 79 79 LYS N N 79 117.221 117.221 120.954 -3.733 25702 6107 1 11 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.277 -0.464 25702 6108 1 11 . 1 1 79 79 LYS C C 79 177.709 177.709 176.416 1.293 25702 6109 1 11 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.931 2.491 25702 6110 1 11 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.713 0.557 25702 6111 1 11 . 1 1 79 79 LYS H H 79 8.741 8.741 9.334 -0.593 25702 6112 1 11 . 1 1 80 80 ASN N N 80 125.563 125.563 123.935 1.628 25702 6113 1 11 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.367 -0.062 25702 6114 1 11 . 1 1 80 80 ASN C C 80 175.395 175.395 174.889 0.506 25702 6115 1 11 . 1 1 80 80 ASN CA C 80 54.469 54.469 54.099 0.370 25702 6116 1 11 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.121 1.550 25702 6117 1 11 . 1 1 80 80 ASN H H 80 8.890 8.890 8.852 0.038 25702 6118 1 11 . 1 1 81 81 GLY N N 81 102.976 102.976 104.131 -1.155 25702 6119 1 11 . 1 1 81 81 GLY C C 81 173.223 173.223 174.089 -0.866 25702 6120 1 11 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.429 0.216 25702 6121 1 11 . 1 1 81 81 GLY H H 81 8.640 8.640 8.831 -0.191 25702 6122 1 11 . 1 1 82 82 LYS N N 82 119.280 119.280 119.991 -0.711 25702 6123 1 11 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.703 0.020 25702 6124 1 11 . 1 1 82 82 LYS C C 82 174.897 174.897 175.258 -0.361 25702 6125 1 11 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.217 0.138 25702 6126 1 11 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.660 -0.333 25702 6127 1 11 . 1 1 82 82 LYS H H 82 7.583 7.583 7.836 -0.253 25702 6128 1 11 . 1 1 83 83 GLU N N 83 125.460 125.460 120.364 5.096 25702 6129 1 11 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.753 0.106 25702 6130 1 11 . 1 1 83 83 GLU C C 83 177.249 177.249 177.173 0.076 25702 6131 1 11 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.574 -0.615 25702 6132 1 11 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.345 0.167 25702 6133 1 11 . 1 1 83 83 GLU H H 83 8.818 8.818 8.729 0.089 25702 6134 1 11 . 1 1 84 84 VAL N N 84 121.989 121.989 113.924 8.065 25702 6135 1 11 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.409 0.013 25702 6136 1 11 . 1 1 84 84 VAL C C 84 175.625 175.625 174.996 0.629 25702 6137 1 11 . 1 1 84 84 VAL CA C 84 61.083 61.083 62.001 -0.917 25702 6138 1 11 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.514 -1.423 25702 6139 1 11 . 1 1 84 84 VAL H H 84 9.281 9.281 8.128 1.153 25702 6140 1 11 . 1 1 85 85 ALA N N 85 121.284 121.284 122.533 -1.249 25702 6141 1 11 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.483 -0.084 25702 6142 1 11 . 1 1 85 85 ALA C C 85 173.805 173.805 174.934 -1.129 25702 6143 1 11 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.252 0.404 25702 6144 1 11 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.225 0.762 25702 6145 1 11 . 1 1 85 85 ALA H H 85 7.564 7.564 7.591 -0.027 25702 6146 1 11 . 1 1 86 86 LYS N N 86 119.558 119.558 120.964 -1.406 25702 6147 1 11 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.286 -0.340 25702 6148 1 11 . 1 1 86 86 LYS C C 86 174.999 174.999 174.268 0.731 25702 6149 1 11 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.039 0.300 25702 6150 1 11 . 1 1 86 86 LYS CB C 86 35.605 35.605 34.697 0.908 25702 6151 1 11 . 1 1 86 86 LYS H H 86 8.000 8.000 8.160 -0.160 25702 6152 1 11 . 1 1 87 87 VAL N N 87 126.118 126.118 122.370 3.748 25702 6153 1 11 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.481 0.222 25702 6154 1 11 . 1 1 87 87 VAL C C 87 174.516 174.516 175.236 -0.720 25702 6155 1 11 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.308 0.071 25702 6156 1 11 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.522 -1.335 25702 6157 1 11 . 1 1 87 87 VAL H H 87 9.198 9.198 9.018 0.180 25702 6158 1 11 . 1 1 88 88 VAL N N 88 128.549 128.549 121.274 7.275 25702 6159 1 11 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.668 -0.214 25702 6160 1 11 . 1 1 88 88 VAL C C 88 176.142 176.142 175.157 0.985 25702 6161 1 11 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.191 0.791 25702 6162 1 11 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.666 1.975 25702 6163 1 11 . 1 1 88 88 VAL H H 88 9.031 9.031 8.546 0.485 25702 6164 1 11 . 1 1 89 89 GLY N N 89 114.516 114.516 108.192 6.324 25702 6165 1 11 . 1 1 89 89 GLY C C 89 173.063 173.063 173.121 -0.058 25702 6166 1 11 . 1 1 89 89 GLY CA C 89 43.506 43.506 44.966 -1.460 25702 6167 1 11 . 1 1 89 89 GLY H H 89 8.379 8.379 7.349 1.030 25702 6168 1 11 . 1 1 90 90 ALA N N 90 122.292 122.292 123.858 -1.566 25702 6169 1 11 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.122 0.073 25702 6170 1 11 . 1 1 90 90 ALA C C 90 174.897 174.897 176.492 -1.595 25702 6171 1 11 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.691 -2.252 25702 6172 1 11 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.571 -0.690 25702 6173 1 11 . 1 1 90 90 ALA H H 90 8.592 8.592 8.545 0.047 25702 6174 1 11 . 1 1 91 91 ASN N N 91 120.220 120.220 125.205 -4.985 25702 6175 1 11 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.079 0.032 25702 6176 1 11 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.815 0.197 25702 6177 1 11 . 1 1 91 91 ASN CB C 91 38.978 38.978 40.420 -1.442 25702 6178 1 11 . 1 1 91 91 ASN H H 91 7.386 7.386 8.523 -1.137 25702 6179 1 11 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.085 -0.057 25702 6180 1 11 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.655 -4.558 25702 6181 1 11 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.173 -0.078 25702 6182 1 11 . 1 1 93 93 ALA C C 93 180.205 180.205 179.565 0.640 25702 6183 1 11 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.657 0.509 25702 6184 1 11 . 1 1 93 93 ALA CB C 93 17.981 17.981 17.943 0.038 25702 6185 1 11 . 1 1 94 94 ALA N N 94 120.499 120.499 121.920 -1.421 25702 6186 1 11 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.189 -0.128 25702 6187 1 11 . 1 1 94 94 ALA C C 94 180.917 180.917 180.083 0.834 25702 6188 1 11 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.818 -0.558 25702 6189 1 11 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.326 0.472 25702 6190 1 11 . 1 1 94 94 ALA H H 94 7.223 7.223 8.302 -1.079 25702 6191 1 11 . 1 1 95 95 ILE N N 95 119.397 119.397 118.367 1.030 25702 6192 1 11 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.767 -0.415 25702 6193 1 11 . 1 1 95 95 ILE C C 95 176.217 176.217 177.818 -1.601 25702 6194 1 11 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.572 2.381 25702 6195 1 11 . 1 1 95 95 ILE CB C 95 38.380 38.380 37.070 1.310 25702 6196 1 11 . 1 1 95 95 ILE H H 95 7.772 7.772 8.768 -0.996 25702 6197 1 11 . 1 1 96 96 LYS N N 96 118.919 118.919 119.648 -0.729 25702 6198 1 11 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.232 -1.215 25702 6199 1 11 . 1 1 96 96 LYS C C 96 177.824 177.824 179.846 -2.022 25702 6200 1 11 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.447 1.179 25702 6201 1 11 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.146 0.019 25702 6202 1 11 . 1 1 96 96 LYS H H 96 8.112 8.112 7.549 0.563 25702 6203 1 11 . 1 1 97 97 GLN N N 97 115.480 115.480 118.711 -3.231 25702 6204 1 11 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.257 -0.405 25702 6205 1 11 . 1 1 97 97 GLN C C 97 178.014 178.014 177.269 0.745 25702 6206 1 11 . 1 1 97 97 GLN CA C 97 58.583 58.583 57.687 0.896 25702 6207 1 11 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.166 0.178 25702 6208 1 11 . 1 1 97 97 GLN H H 97 7.686 7.686 8.394 -0.708 25702 6209 1 11 . 1 1 98 98 ALA N N 98 120.911 120.911 123.522 -2.611 25702 6210 1 11 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.079 -0.149 25702 6211 1 11 . 1 1 98 98 ALA C C 98 179.544 179.544 179.478 0.066 25702 6212 1 11 . 1 1 98 98 ALA CA C 98 54.749 54.749 54.942 -0.193 25702 6213 1 11 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.164 -0.249 25702 6214 1 11 . 1 1 98 98 ALA H H 98 7.446 7.446 7.582 -0.136 25702 6215 1 11 . 1 1 99 99 ILE N N 99 117.780 117.780 118.523 -0.743 25702 6216 1 11 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.453 -0.406 25702 6217 1 11 . 1 1 99 99 ILE C C 99 177.087 177.087 177.726 -0.639 25702 6218 1 11 . 1 1 99 99 ILE CA C 99 65.459 65.459 65.653 -0.194 25702 6219 1 11 . 1 1 99 99 ILE CB C 99 38.132 38.132 37.691 0.442 25702 6220 1 11 . 1 1 99 99 ILE H H 99 7.735 7.735 8.283 -0.548 25702 6221 1 11 . 1 1 100 100 ALA N N 100 119.516 119.516 120.651 -1.135 25702 6222 1 11 . 1 1 100 100 ALA C C 100 180.431 180.431 178.567 1.864 25702 6223 1 11 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.602 0.643 25702 6224 1 11 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.106 0.187 25702 6225 1 11 . 1 1 100 100 ALA H H 100 8.214 8.214 7.671 0.543 25702 6226 1 11 . 1 1 101 101 ALA N N 101 115.674 115.674 121.463 -5.789 25702 6227 1 11 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.178 -0.107 25702 6228 1 11 . 1 1 101 101 ALA C C 101 178.213 178.213 179.179 -0.966 25702 6229 1 11 . 1 1 101 101 ALA CA C 101 53.884 53.884 54.093 -0.209 25702 6230 1 11 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.099 -0.056 25702 6231 1 11 . 1 1 101 101 ALA H H 101 7.619 7.619 7.585 0.034 25702 6232 1 11 . 1 1 102 102 ASN N N 102 115.986 115.986 115.479 0.507 25702 6233 1 11 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.617 0.167 25702 6234 1 11 . 1 1 102 102 ASN C C 102 172.740 172.740 175.459 -2.719 25702 6235 1 11 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.446 -0.146 25702 6236 1 11 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.495 3.394 25702 6237 1 11 . 1 1 102 102 ASN H H 102 7.116 7.116 8.075 -0.959 25702 6238 1 12 . 1 1 2 2 VAL N N 2 125.020 125.020 124.556 0.464 25702 6239 1 12 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.280 -0.202 25702 6240 1 12 . 1 1 2 2 VAL C C 2 175.261 175.261 176.276 -1.015 25702 6241 1 12 . 1 1 2 2 VAL CA C 2 61.049 61.049 62.166 -1.117 25702 6242 1 12 . 1 1 2 2 VAL CB C 2 32.667 32.667 32.424 0.243 25702 6243 1 12 . 1 1 2 2 VAL H H 2 8.590 8.590 8.304 0.286 25702 6244 1 12 . 1 1 3 3 THR N N 3 125.759 125.759 124.598 1.161 25702 6245 1 12 . 1 1 3 3 THR HA H 3 4.138 4.138 4.335 -0.197 25702 6246 1 12 . 1 1 3 3 THR C C 3 173.129 173.129 173.071 0.058 25702 6247 1 12 . 1 1 3 3 THR CA C 3 62.804 62.804 62.648 0.156 25702 6248 1 12 . 1 1 3 3 THR CB C 3 69.547 69.547 69.692 -0.145 25702 6249 1 12 . 1 1 3 3 THR H H 3 7.778 7.778 8.501 -0.723 25702 6250 1 12 . 1 1 4 4 GLN N N 4 127.746 127.746 123.444 4.302 25702 6251 1 12 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.892 -0.153 25702 6252 1 12 . 1 1 4 4 GLN C C 4 176.754 176.754 175.651 1.103 25702 6253 1 12 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.280 -0.845 25702 6254 1 12 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.928 -0.398 25702 6255 1 12 . 1 1 4 4 GLN H H 4 8.975 8.975 8.496 0.479 25702 6256 1 12 . 1 1 5 5 PHE N N 5 126.242 126.242 125.998 0.244 25702 6257 1 12 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.870 -0.053 25702 6258 1 12 . 1 1 5 5 PHE C C 5 176.102 176.102 176.453 -0.351 25702 6259 1 12 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.182 2.346 25702 6260 1 12 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.095 0.425 25702 6261 1 12 . 1 1 5 5 PHE H H 5 8.422 8.422 8.417 0.005 25702 6262 1 12 . 1 1 6 6 LYS N N 6 119.482 119.482 117.908 1.574 25702 6263 1 12 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.563 0.058 25702 6264 1 12 . 1 1 6 6 LYS C C 6 176.994 176.994 175.915 1.079 25702 6265 1 12 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.436 -0.421 25702 6266 1 12 . 1 1 6 6 LYS CB C 6 34.132 34.132 33.996 0.136 25702 6267 1 12 . 1 1 6 6 LYS H H 6 9.822 9.822 8.594 1.228 25702 6268 1 12 . 1 1 7 7 THR N N 7 107.464 107.464 108.144 -0.680 25702 6269 1 12 . 1 1 7 7 THR HA H 7 4.597 4.597 4.637 -0.040 25702 6270 1 12 . 1 1 7 7 THR C C 7 173.921 173.921 173.897 0.024 25702 6271 1 12 . 1 1 7 7 THR CA C 7 59.155 59.155 59.291 -0.136 25702 6272 1 12 . 1 1 7 7 THR CB C 7 72.660 72.660 71.676 0.984 25702 6273 1 12 . 1 1 7 7 THR H H 7 7.484 7.484 7.381 0.103 25702 6274 1 12 . 1 1 8 8 ALA N N 8 123.987 123.987 122.487 1.500 25702 6275 1 12 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.169 -0.460 25702 6276 1 12 . 1 1 8 8 ALA C C 8 179.409 179.409 179.347 0.062 25702 6277 1 12 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.823 0.179 25702 6278 1 12 . 1 1 8 8 ALA CB C 8 18.090 18.090 17.970 0.120 25702 6279 1 12 . 1 1 8 8 ALA H H 8 9.031 9.031 8.903 0.128 25702 6280 1 12 . 1 1 9 9 SER N N 9 112.387 112.387 115.060 -2.673 25702 6281 1 12 . 1 1 9 9 SER HA H 9 4.127 4.127 4.070 0.057 25702 6282 1 12 . 1 1 9 9 SER C C 9 177.070 177.070 177.012 0.058 25702 6283 1 12 . 1 1 9 9 SER CA C 9 61.109 61.109 61.813 -0.704 25702 6284 1 12 . 1 1 9 9 SER CB C 9 62.226 62.226 62.257 -0.031 25702 6285 1 12 . 1 1 9 9 SER H H 9 8.161 8.161 8.356 -0.195 25702 6286 1 12 . 1 1 10 10 GLU N N 10 121.941 121.941 121.403 0.538 25702 6287 1 12 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.837 0.014 25702 6288 1 12 . 1 1 10 10 GLU C C 10 178.776 178.776 178.185 0.591 25702 6289 1 12 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.135 -0.452 25702 6290 1 12 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.133 1.871 25702 6291 1 12 . 1 1 10 10 GLU H H 10 7.522 7.522 7.541 -0.019 25702 6292 1 12 . 1 1 11 11 PHE N N 11 120.541 120.541 119.327 1.214 25702 6293 1 12 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.874 -0.028 25702 6294 1 12 . 1 1 11 11 PHE C C 11 174.944 174.944 177.112 -2.168 25702 6295 1 12 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.836 -0.129 25702 6296 1 12 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.790 -1.052 25702 6297 1 12 . 1 1 11 11 PHE H H 11 6.624 6.624 7.120 -0.496 25702 6298 1 12 . 1 1 12 12 ASP N N 12 117.847 117.847 118.351 -0.504 25702 6299 1 12 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.115 -0.284 25702 6300 1 12 . 1 1 12 12 ASP C C 12 178.767 178.767 178.606 0.161 25702 6301 1 12 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.363 -0.145 25702 6302 1 12 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.688 -0.390 25702 6303 1 12 . 1 1 12 12 ASP H H 12 7.637 7.637 8.333 -0.696 25702 6304 1 12 . 1 1 13 13 SER N N 13 111.904 111.904 115.401 -3.497 25702 6305 1 12 . 1 1 13 13 SER HA H 13 4.034 4.034 4.097 -0.063 25702 6306 1 12 . 1 1 13 13 SER C C 13 176.341 176.341 175.904 0.437 25702 6307 1 12 . 1 1 13 13 SER CA C 13 60.857 60.857 61.063 -0.206 25702 6308 1 12 . 1 1 13 13 SER CB C 13 63.144 63.144 63.072 0.072 25702 6309 1 12 . 1 1 13 13 SER H H 13 7.539 7.539 8.134 -0.595 25702 6310 1 12 . 1 1 14 14 ALA N N 14 123.793 123.793 121.918 1.875 25702 6311 1 12 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.958 0.069 25702 6312 1 12 . 1 1 14 14 ALA C C 14 180.358 180.358 179.993 0.365 25702 6313 1 12 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.216 0.624 25702 6314 1 12 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.430 0.396 25702 6315 1 12 . 1 1 14 14 ALA H H 14 7.647 7.647 7.285 0.362 25702 6316 1 12 . 1 1 15 15 ILE N N 15 106.782 106.782 119.075 -12.293 25702 6317 1 12 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.678 0.042 25702 6318 1 12 . 1 1 15 15 ILE C C 15 176.012 176.012 177.834 -1.822 25702 6319 1 12 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.752 1.743 25702 6320 1 12 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.000 1.795 25702 6321 1 12 . 1 1 15 15 ILE H H 15 7.146 7.146 7.889 -0.743 25702 6322 1 12 . 1 1 16 16 ALA N N 16 122.248 122.248 119.232 3.016 25702 6323 1 12 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.145 -0.114 25702 6324 1 12 . 1 1 16 16 ALA C C 16 177.072 177.072 176.950 0.122 25702 6325 1 12 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.239 -0.489 25702 6326 1 12 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.375 -0.005 25702 6327 1 12 . 1 1 16 16 ALA H H 16 6.627 6.627 7.467 -0.840 25702 6328 1 12 . 1 1 17 17 GLN N N 17 115.254 115.254 118.508 -3.254 25702 6329 1 12 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.216 0.003 25702 6330 1 12 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.584 0.314 25702 6331 1 12 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.511 4.453 25702 6332 1 12 . 1 1 17 17 GLN H H 17 7.136 7.136 7.355 -0.219 25702 6333 1 12 . 1 1 18 18 ASP N N 18 122.840 122.840 122.633 0.207 25702 6334 1 12 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.565 -0.033 25702 6335 1 12 . 1 1 18 18 ASP C C 18 175.348 175.348 175.106 0.242 25702 6336 1 12 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.467 0.043 25702 6337 1 12 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.476 -0.426 25702 6338 1 12 . 1 1 18 18 ASP H H 18 8.644 8.644 8.640 0.004 25702 6339 1 12 . 1 1 19 19 LYS N N 19 118.503 118.503 115.787 2.716 25702 6340 1 12 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.529 -0.146 25702 6341 1 12 . 1 1 19 19 LYS C C 19 173.289 173.289 174.947 -1.658 25702 6342 1 12 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.033 0.688 25702 6343 1 12 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.905 -0.689 25702 6344 1 12 . 1 1 19 19 LYS H H 19 7.939 7.939 7.669 0.270 25702 6345 1 12 . 1 1 20 20 LEU N N 20 120.813 120.813 123.726 -2.913 25702 6346 1 12 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.850 -0.141 25702 6347 1 12 . 1 1 20 20 LEU C C 20 174.429 174.429 175.576 -1.147 25702 6348 1 12 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.618 1.169 25702 6349 1 12 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.329 0.232 25702 6350 1 12 . 1 1 20 20 LEU H H 20 8.625 8.625 8.727 -0.102 25702 6351 1 12 . 1 1 21 21 VAL N N 21 128.813 128.813 128.037 0.776 25702 6352 1 12 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.580 -0.315 25702 6353 1 12 . 1 1 21 21 VAL C C 21 174.618 174.618 175.016 -0.398 25702 6354 1 12 . 1 1 21 21 VAL CA C 21 61.583 61.583 60.943 0.640 25702 6355 1 12 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.269 2.308 25702 6356 1 12 . 1 1 21 21 VAL H H 21 9.251 9.251 9.257 -0.006 25702 6357 1 12 . 1 1 22 22 VAL N N 22 130.243 130.243 128.754 1.489 25702 6358 1 12 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.436 -0.173 25702 6359 1 12 . 1 1 22 22 VAL C C 22 174.802 174.802 174.791 0.011 25702 6360 1 12 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.414 0.228 25702 6361 1 12 . 1 1 22 22 VAL CB C 22 32.824 32.824 32.567 0.257 25702 6362 1 12 . 1 1 22 22 VAL H H 22 8.969 8.969 9.132 -0.163 25702 6363 1 12 . 1 1 23 23 VAL N N 23 125.526 125.526 127.956 -2.430 25702 6364 1 12 . 1 1 23 23 VAL HA H 23 4.652 4.652 5.194 -0.542 25702 6365 1 12 . 1 1 23 23 VAL C C 23 174.086 174.086 175.088 -1.002 25702 6366 1 12 . 1 1 23 23 VAL CA C 23 61.783 61.783 59.847 1.935 25702 6367 1 12 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.557 0.867 25702 6368 1 12 . 1 1 23 23 VAL H H 23 9.555 9.555 9.031 0.524 25702 6369 1 12 . 1 1 24 24 ALA N N 24 130.468 130.468 131.098 -0.630 25702 6370 1 12 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.885 0.118 25702 6371 1 12 . 1 1 24 24 ALA C C 24 175.093 175.093 175.874 -0.781 25702 6372 1 12 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.850 0.259 25702 6373 1 12 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.884 -0.341 25702 6374 1 12 . 1 1 24 24 ALA H H 24 9.004 9.004 9.456 -0.452 25702 6375 1 12 . 1 1 25 25 PHE N N 25 124.289 124.289 126.817 -2.528 25702 6376 1 12 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.594 -0.575 25702 6377 1 12 . 1 1 25 25 PHE C C 25 174.794 174.794 174.638 0.156 25702 6378 1 12 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.895 1.725 25702 6379 1 12 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.184 -1.419 25702 6380 1 12 . 1 1 25 25 PHE H H 25 9.455 9.455 9.367 0.088 25702 6381 1 12 . 1 1 26 26 TYR N N 26 120.967 120.967 120.659 0.308 25702 6382 1 12 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.902 0.449 25702 6383 1 12 . 1 1 26 26 TYR C C 26 171.352 171.352 172.878 -1.526 25702 6384 1 12 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.849 -1.018 25702 6385 1 12 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.796 2.138 25702 6386 1 12 . 1 1 26 26 TYR H H 26 8.908 8.908 8.370 0.538 25702 6387 1 12 . 1 1 27 27 ALA N N 27 119.133 119.133 122.792 -3.659 25702 6388 1 12 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.461 -0.902 25702 6389 1 12 . 1 1 27 27 ALA C C 27 179.092 179.092 178.658 0.434 25702 6390 1 12 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.083 1.071 25702 6391 1 12 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.420 1.530 25702 6392 1 12 . 1 1 27 27 ALA H H 27 6.962 6.962 8.472 -1.510 25702 6393 1 12 . 1 1 28 28 THR N N 28 116.784 116.784 116.435 0.349 25702 6394 1 12 . 1 1 28 28 THR HA H 28 3.867 3.867 4.161 -0.294 25702 6395 1 12 . 1 1 28 28 THR C C 28 174.957 174.957 175.156 -0.199 25702 6396 1 12 . 1 1 28 28 THR CA C 28 64.820 64.820 64.357 0.463 25702 6397 1 12 . 1 1 28 28 THR CB C 28 69.197 69.197 69.207 -0.010 25702 6398 1 12 . 1 1 28 28 THR H H 28 10.053 10.053 9.255 0.798 25702 6399 1 12 . 1 1 29 29 TRP N N 29 114.763 114.763 117.673 -2.910 25702 6400 1 12 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.690 -0.168 25702 6401 1 12 . 1 1 29 29 TRP C C 29 175.478 175.478 176.093 -0.615 25702 6402 1 12 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.278 -1.773 25702 6403 1 12 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.879 0.465 25702 6404 1 12 . 1 1 29 29 TRP H H 29 6.495 6.495 7.457 -0.962 25702 6405 1 12 . 1 1 30 30 CYS N N 30 122.729 122.729 121.101 1.628 25702 6406 1 12 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.455 0.036 25702 6407 1 12 . 1 1 30 30 CYS CA C 30 58.502 58.502 59.135 -0.633 25702 6408 1 12 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.724 -2.076 25702 6409 1 12 . 1 1 30 30 CYS H H 30 6.484 6.484 7.142 -0.658 25702 6410 1 12 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.139 -0.179 25702 6411 1 12 . 1 1 33 33 CYS C C 33 176.605 176.605 175.952 0.653 25702 6412 1 12 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.522 3.041 25702 6413 1 12 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.108 1.119 25702 6414 1 12 . 1 1 34 34 LYS N N 34 120.638 120.638 120.413 0.225 25702 6415 1 12 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.876 0.046 25702 6416 1 12 . 1 1 34 34 LYS C C 34 178.623 178.623 177.852 0.771 25702 6417 1 12 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.583 0.539 25702 6418 1 12 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.710 0.477 25702 6419 1 12 . 1 1 34 34 LYS H H 34 7.828 7.828 7.228 0.600 25702 6420 1 12 . 1 1 35 35 MET N N 35 115.754 115.754 117.777 -2.023 25702 6421 1 12 . 1 1 35 35 MET HA H 35 4.230 4.230 4.270 -0.040 25702 6422 1 12 . 1 1 35 35 MET C C 35 177.927 177.927 177.654 0.273 25702 6423 1 12 . 1 1 35 35 MET CA C 35 56.931 56.931 56.086 0.846 25702 6424 1 12 . 1 1 35 35 MET CB C 35 32.038 32.038 32.670 -0.632 25702 6425 1 12 . 1 1 35 35 MET H H 35 7.612 7.612 7.451 0.161 25702 6426 1 12 . 1 1 36 36 ILE N N 36 114.905 114.905 118.756 -3.851 25702 6427 1 12 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.815 0.437 25702 6428 1 12 . 1 1 36 36 ILE C C 36 176.681 176.681 177.159 -0.478 25702 6429 1 12 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.950 -1.807 25702 6430 1 12 . 1 1 36 36 ILE CB C 36 38.885 38.885 36.975 1.910 25702 6431 1 12 . 1 1 36 36 ILE H H 36 7.399 7.399 7.450 -0.051 25702 6432 1 12 . 1 1 37 37 ALA N N 37 125.154 125.154 123.514 1.640 25702 6433 1 12 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.925 0.154 25702 6434 1 12 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.705 0.366 25702 6435 1 12 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.006 -0.548 25702 6436 1 12 . 1 1 37 37 ALA H H 37 7.587 7.587 7.421 0.166 25702 6437 1 12 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.276 -0.037 25702 6438 1 12 . 1 1 38 38 PRO C C 38 179.456 179.456 177.997 1.459 25702 6439 1 12 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.934 0.253 25702 6440 1 12 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.681 -0.918 25702 6441 1 12 . 1 1 39 39 MET N N 39 117.231 117.231 118.638 -1.407 25702 6442 1 12 . 1 1 39 39 MET HA H 39 3.854 3.854 4.226 -0.372 25702 6443 1 12 . 1 1 39 39 MET C C 39 177.388 177.388 177.986 -0.598 25702 6444 1 12 . 1 1 39 39 MET CA C 39 57.916 57.916 58.110 -0.194 25702 6445 1 12 . 1 1 39 39 MET CB C 39 32.238 32.238 32.032 0.206 25702 6446 1 12 . 1 1 39 39 MET H H 39 7.051 7.051 7.646 -0.595 25702 6447 1 12 . 1 1 40 40 ILE N N 40 117.419 117.419 119.434 -2.015 25702 6448 1 12 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.976 -0.301 25702 6449 1 12 . 1 1 40 40 ILE C C 40 177.699 177.699 177.556 0.143 25702 6450 1 12 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.480 -0.811 25702 6451 1 12 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.222 -2.451 25702 6452 1 12 . 1 1 40 40 ILE H H 40 7.825 7.825 7.591 0.234 25702 6453 1 12 . 1 1 41 41 GLU N N 41 119.014 119.014 119.117 -0.103 25702 6454 1 12 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.667 -0.081 25702 6455 1 12 . 1 1 41 41 GLU C C 41 180.065 180.065 178.346 1.719 25702 6456 1 12 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.903 0.504 25702 6457 1 12 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.180 -0.706 25702 6458 1 12 . 1 1 41 41 GLU H H 41 7.475 7.475 7.639 -0.164 25702 6459 1 12 . 1 1 42 42 LYS N N 42 120.988 120.988 120.058 0.930 25702 6460 1 12 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.992 -0.075 25702 6461 1 12 . 1 1 42 42 LYS C C 42 179.895 179.895 178.479 1.416 25702 6462 1 12 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.163 0.871 25702 6463 1 12 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.971 -1.126 25702 6464 1 12 . 1 1 42 42 LYS H H 42 7.402 7.402 7.731 -0.329 25702 6465 1 12 . 1 1 43 43 PHE N N 43 118.946 118.946 118.086 0.860 25702 6466 1 12 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.954 -0.790 25702 6467 1 12 . 1 1 43 43 PHE C C 43 177.806 177.806 176.839 0.967 25702 6468 1 12 . 1 1 43 43 PHE CA C 43 60.022 60.022 60.119 -0.097 25702 6469 1 12 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.076 -0.656 25702 6470 1 12 . 1 1 43 43 PHE H H 43 8.270 8.270 7.621 0.649 25702 6471 1 12 . 1 1 44 44 SER N N 44 116.035 116.035 113.762 2.273 25702 6472 1 12 . 1 1 44 44 SER HA H 44 2.873 2.873 4.309 -1.436 25702 6473 1 12 . 1 1 44 44 SER C C 44 175.522 175.522 175.174 0.348 25702 6474 1 12 . 1 1 44 44 SER CA C 44 60.173 60.173 59.742 0.431 25702 6475 1 12 . 1 1 44 44 SER CB C 44 61.911 61.911 62.413 -0.502 25702 6476 1 12 . 1 1 44 44 SER H H 44 7.763 7.763 6.817 0.946 25702 6477 1 12 . 1 1 45 45 GLU N N 45 120.563 120.563 120.829 -0.266 25702 6478 1 12 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.943 0.116 25702 6479 1 12 . 1 1 45 45 GLU C C 45 177.798 177.798 177.807 -0.009 25702 6480 1 12 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.508 -1.205 25702 6481 1 12 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.622 0.015 25702 6482 1 12 . 1 1 45 45 GLU H H 45 6.888 6.888 7.189 -0.301 25702 6483 1 12 . 1 1 46 46 GLN N N 46 118.400 118.400 116.845 1.555 25702 6484 1 12 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.191 -0.264 25702 6485 1 12 . 1 1 46 46 GLN C C 46 175.422 175.422 176.537 -1.115 25702 6486 1 12 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.094 -0.061 25702 6487 1 12 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.296 -0.606 25702 6488 1 12 . 1 1 46 46 GLN H H 46 7.451 7.451 7.476 -0.025 25702 6489 1 12 . 1 1 47 47 TYR N N 47 115.979 115.979 114.395 1.584 25702 6490 1 12 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.092 -0.109 25702 6491 1 12 . 1 1 47 47 TYR CA C 47 56.084 56.084 54.120 1.964 25702 6492 1 12 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.405 -0.331 25702 6493 1 12 . 1 1 47 47 TYR H H 47 7.433 7.433 7.740 -0.307 25702 6494 1 12 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.564 0.147 25702 6495 1 12 . 1 1 48 48 PRO C C 48 177.453 177.453 177.539 -0.086 25702 6496 1 12 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.834 0.459 25702 6497 1 12 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.924 -0.054 25702 6498 1 12 . 1 1 49 49 GLN N N 49 119.035 119.035 118.664 0.371 25702 6499 1 12 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.231 0.129 25702 6500 1 12 . 1 1 49 49 GLN C C 49 174.990 174.990 175.360 -0.370 25702 6501 1 12 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.307 -0.847 25702 6502 1 12 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.831 -1.052 25702 6503 1 12 . 1 1 49 49 GLN H H 49 9.617 9.617 8.517 1.100 25702 6504 1 12 . 1 1 50 50 ALA N N 50 127.008 127.008 120.395 6.613 25702 6505 1 12 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.623 0.424 25702 6506 1 12 . 1 1 50 50 ALA C C 50 175.173 175.173 176.283 -1.110 25702 6507 1 12 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.712 -0.663 25702 6508 1 12 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.248 0.917 25702 6509 1 12 . 1 1 50 50 ALA H H 50 8.170 8.170 7.513 0.657 25702 6510 1 12 . 1 1 51 51 ASP N N 51 120.039 120.039 121.399 -1.360 25702 6511 1 12 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.594 0.511 25702 6512 1 12 . 1 1 51 51 ASP C C 51 174.707 174.707 175.096 -0.389 25702 6513 1 12 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.752 -0.748 25702 6514 1 12 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.788 1.485 25702 6515 1 12 . 1 1 51 51 ASP H H 51 8.411 8.411 8.416 -0.005 25702 6516 1 12 . 1 1 52 52 PHE N N 52 120.670 120.670 121.264 -0.594 25702 6517 1 12 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.365 -0.186 25702 6518 1 12 . 1 1 52 52 PHE C C 52 174.633 174.633 174.181 0.452 25702 6519 1 12 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.627 1.085 25702 6520 1 12 . 1 1 52 52 PHE CB C 52 41.874 41.874 38.940 2.934 25702 6521 1 12 . 1 1 52 52 PHE H H 52 8.943 8.943 7.381 1.562 25702 6522 1 12 . 1 1 53 53 TYR N N 53 120.949 120.949 123.150 -2.201 25702 6523 1 12 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.500 -0.023 25702 6524 1 12 . 1 1 53 53 TYR C C 53 174.507 174.507 174.315 0.192 25702 6525 1 12 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.693 -0.980 25702 6526 1 12 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.858 2.984 25702 6527 1 12 . 1 1 53 53 TYR H H 53 9.336 9.336 8.892 0.444 25702 6528 1 12 . 1 1 54 54 LYS N N 54 115.771 115.771 119.032 -3.261 25702 6529 1 12 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.451 0.048 25702 6530 1 12 . 1 1 54 54 LYS C C 54 173.200 173.200 173.560 -0.360 25702 6531 1 12 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.982 -1.487 25702 6532 1 12 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.526 -1.570 25702 6533 1 12 . 1 1 54 54 LYS H H 54 8.451 8.451 9.062 -0.611 25702 6534 1 12 . 1 1 55 55 LEU N N 55 123.037 123.037 120.164 2.873 25702 6535 1 12 . 1 1 55 55 LEU HA H 55 4.471 4.471 5.076 -0.605 25702 6536 1 12 . 1 1 55 55 LEU C C 55 172.053 172.053 173.335 -1.282 25702 6537 1 12 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.926 1.460 25702 6538 1 12 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.408 -0.595 25702 6539 1 12 . 1 1 55 55 LEU H H 55 8.783 8.783 8.597 0.186 25702 6540 1 12 . 1 1 56 56 ASP N N 56 126.250 126.250 123.491 2.759 25702 6541 1 12 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.131 -0.974 25702 6542 1 12 . 1 1 56 56 ASP C C 56 178.219 178.219 177.463 0.756 25702 6543 1 12 . 1 1 56 56 ASP CA C 56 52.242 52.242 51.359 0.883 25702 6544 1 12 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.157 -0.409 25702 6545 1 12 . 1 1 56 56 ASP H H 56 8.580 8.580 8.125 0.455 25702 6546 1 12 . 1 1 57 57 VAL N N 57 123.015 123.015 126.917 -3.902 25702 6547 1 12 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.790 -0.374 25702 6548 1 12 . 1 1 57 57 VAL C C 57 175.672 175.672 177.042 -1.370 25702 6549 1 12 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.990 -0.295 25702 6550 1 12 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.534 -0.531 25702 6551 1 12 . 1 1 57 57 VAL H H 57 8.767 8.767 8.392 0.375 25702 6552 1 12 . 1 1 58 58 ASP N N 58 118.536 118.536 117.921 0.615 25702 6553 1 12 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.616 0.079 25702 6554 1 12 . 1 1 58 58 ASP C C 58 177.541 177.541 177.772 -0.231 25702 6555 1 12 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.686 -0.527 25702 6556 1 12 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.325 -0.855 25702 6557 1 12 . 1 1 58 58 ASP H H 58 8.653 8.653 8.165 0.488 25702 6558 1 12 . 1 1 59 59 GLU N N 59 119.610 119.610 118.266 1.344 25702 6559 1 12 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.264 0.089 25702 6560 1 12 . 1 1 59 59 GLU C C 59 177.106 177.106 177.566 -0.460 25702 6561 1 12 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.799 -0.430 25702 6562 1 12 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.725 0.975 25702 6563 1 12 . 1 1 59 59 GLU H H 59 7.596 7.596 7.787 -0.191 25702 6564 1 12 . 1 1 60 60 LEU N N 60 121.513 121.513 120.944 0.569 25702 6565 1 12 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.710 0.202 25702 6566 1 12 . 1 1 60 60 LEU C C 60 177.050 177.050 177.024 0.026 25702 6567 1 12 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.701 -1.337 25702 6568 1 12 . 1 1 60 60 LEU CB C 60 41.622 41.622 42.150 -0.528 25702 6569 1 12 . 1 1 60 60 LEU H H 60 7.689 7.689 8.070 -0.381 25702 6570 1 12 . 1 1 61 61 GLY N N 61 111.170 111.170 110.156 1.014 25702 6571 1 12 . 1 1 61 61 GLY C C 61 176.313 176.313 175.612 0.701 25702 6572 1 12 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.129 1.095 25702 6573 1 12 . 1 1 61 61 GLY H H 61 8.218 8.218 8.632 -0.414 25702 6574 1 12 . 1 1 62 62 ASP N N 62 119.711 119.711 120.160 -0.449 25702 6575 1 12 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.383 -0.065 25702 6576 1 12 . 1 1 62 62 ASP C C 62 178.935 178.935 177.845 1.090 25702 6577 1 12 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.605 0.074 25702 6578 1 12 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.495 -1.232 25702 6579 1 12 . 1 1 62 62 ASP H H 62 9.141 9.141 8.514 0.627 25702 6580 1 12 . 1 1 63 63 VAL N N 63 120.511 120.511 119.822 0.689 25702 6581 1 12 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.637 -0.314 25702 6582 1 12 . 1 1 63 63 VAL C C 63 179.266 179.266 177.612 1.654 25702 6583 1 12 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.397 -1.003 25702 6584 1 12 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.627 -0.335 25702 6585 1 12 . 1 1 63 63 VAL H H 63 7.275 7.275 7.711 -0.436 25702 6586 1 12 . 1 1 64 64 ALA N N 64 122.711 122.711 120.737 1.974 25702 6587 1 12 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.918 -0.128 25702 6588 1 12 . 1 1 64 64 ALA C C 64 178.540 178.540 179.872 -1.332 25702 6589 1 12 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.346 0.539 25702 6590 1 12 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.375 -0.558 25702 6591 1 12 . 1 1 64 64 ALA H H 64 7.264 7.264 7.796 -0.532 25702 6592 1 12 . 1 1 65 65 GLN N N 65 117.988 117.988 117.368 0.620 25702 6593 1 12 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.025 0.032 25702 6594 1 12 . 1 1 65 65 GLN C C 65 180.544 180.544 178.435 2.109 25702 6595 1 12 . 1 1 65 65 GLN CA C 65 59.009 59.009 58.246 0.763 25702 6596 1 12 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.781 -0.480 25702 6597 1 12 . 1 1 65 65 GLN H H 65 8.344 8.344 7.859 0.485 25702 6598 1 12 . 1 1 66 66 LYS N N 66 120.050 120.050 118.453 1.597 25702 6599 1 12 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.028 0.026 25702 6600 1 12 . 1 1 66 66 LYS C C 66 176.954 176.954 177.311 -0.357 25702 6601 1 12 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.193 0.624 25702 6602 1 12 . 1 1 66 66 LYS CB C 66 32.179 32.179 31.971 0.208 25702 6603 1 12 . 1 1 66 66 LYS H H 66 7.971 7.971 7.801 0.170 25702 6604 1 12 . 1 1 67 67 ASN N N 67 114.553 114.553 115.516 -0.963 25702 6605 1 12 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.451 0.325 25702 6606 1 12 . 1 1 67 67 ASN C C 67 171.614 171.614 174.816 -3.202 25702 6607 1 12 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.823 1.257 25702 6608 1 12 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.575 1.534 25702 6609 1 12 . 1 1 67 67 ASN H H 67 7.064 7.064 7.305 -0.241 25702 6610 1 12 . 1 1 68 68 GLU N N 68 114.491 114.491 117.523 -3.032 25702 6611 1 12 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.939 -0.198 25702 6612 1 12 . 1 1 68 68 GLU C C 68 175.660 175.660 174.586 1.074 25702 6613 1 12 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.325 -0.319 25702 6614 1 12 . 1 1 68 68 GLU CB C 68 26.972 26.972 27.776 -0.803 25702 6615 1 12 . 1 1 68 68 GLU H H 68 7.755 7.755 7.915 -0.160 25702 6616 1 12 . 1 1 69 69 VAL N N 69 120.375 120.375 118.463 1.912 25702 6617 1 12 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.346 -0.442 25702 6618 1 12 . 1 1 69 69 VAL C C 69 175.415 175.415 174.378 1.037 25702 6619 1 12 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.250 1.620 25702 6620 1 12 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.837 -0.923 25702 6621 1 12 . 1 1 69 69 VAL H H 69 7.787 7.787 8.032 -0.245 25702 6622 1 12 . 1 1 70 70 SER N N 70 121.558 121.558 123.711 -2.153 25702 6623 1 12 . 1 1 70 70 SER HA H 70 4.488 4.488 4.647 -0.159 25702 6624 1 12 . 1 1 70 70 SER C C 70 172.616 172.616 174.648 -2.032 25702 6625 1 12 . 1 1 70 70 SER CA C 70 57.728 57.728 58.033 -0.305 25702 6626 1 12 . 1 1 70 70 SER CB C 70 64.713 64.713 64.328 0.385 25702 6627 1 12 . 1 1 70 70 SER H H 70 8.565 8.565 8.725 -0.160 25702 6628 1 12 . 1 1 71 71 ALA N N 71 125.848 125.848 124.352 1.496 25702 6629 1 12 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.652 -0.073 25702 6630 1 12 . 1 1 71 71 ALA C C 71 175.531 175.531 175.961 -0.430 25702 6631 1 12 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.562 -0.070 25702 6632 1 12 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.473 0.889 25702 6633 1 12 . 1 1 71 71 ALA H H 71 7.861 7.861 7.885 -0.024 25702 6634 1 12 . 1 1 72 72 MET N N 72 118.991 118.991 120.654 -1.663 25702 6635 1 12 . 1 1 72 72 MET HA H 72 4.879 4.879 4.965 -0.086 25702 6636 1 12 . 1 1 72 72 MET CA C 72 51.907 51.907 52.241 -0.334 25702 6637 1 12 . 1 1 72 72 MET CB C 72 35.595 35.595 34.821 0.774 25702 6638 1 12 . 1 1 72 72 MET H H 72 8.553 8.553 8.456 0.097 25702 6639 1 12 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.932 0.074 25702 6640 1 12 . 1 1 73 73 PRO C C 73 176.015 176.015 175.841 0.174 25702 6641 1 12 . 1 1 73 73 PRO CA C 73 63.029 63.029 61.912 1.117 25702 6642 1 12 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.461 0.904 25702 6643 1 12 . 1 1 74 74 THR N N 74 114.577 114.577 115.939 -1.362 25702 6644 1 12 . 1 1 74 74 THR HA H 74 5.013 5.013 5.059 -0.046 25702 6645 1 12 . 1 1 74 74 THR C C 74 171.538 171.538 173.399 -1.861 25702 6646 1 12 . 1 1 74 74 THR CA C 74 63.556 63.556 62.335 1.221 25702 6647 1 12 . 1 1 74 74 THR CB C 74 73.238 73.238 72.071 1.167 25702 6648 1 12 . 1 1 74 74 THR H H 74 7.772 7.772 9.107 -1.335 25702 6649 1 12 . 1 1 75 75 LEU N N 75 131.086 131.086 126.995 4.091 25702 6650 1 12 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.457 0.029 25702 6651 1 12 . 1 1 75 75 LEU C C 75 174.827 174.827 175.540 -0.713 25702 6652 1 12 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.218 -0.896 25702 6653 1 12 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.009 0.140 25702 6654 1 12 . 1 1 75 75 LEU H H 75 9.517 9.517 9.350 0.167 25702 6655 1 12 . 1 1 76 76 LEU N N 76 123.573 123.573 124.471 -0.898 25702 6656 1 12 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.761 0.142 25702 6657 1 12 . 1 1 76 76 LEU C C 76 174.229 174.229 175.019 -0.790 25702 6658 1 12 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.894 -0.407 25702 6659 1 12 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.303 0.767 25702 6660 1 12 . 1 1 76 76 LEU H H 76 9.214 9.214 9.113 0.101 25702 6661 1 12 . 1 1 77 77 LEU N N 77 123.032 123.032 125.837 -2.805 25702 6662 1 12 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.399 -0.151 25702 6663 1 12 . 1 1 77 77 LEU C C 77 174.961 174.961 175.751 -0.790 25702 6664 1 12 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.932 0.797 25702 6665 1 12 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.560 0.131 25702 6666 1 12 . 1 1 77 77 LEU H H 77 8.189 8.189 9.173 -0.984 25702 6667 1 12 . 1 1 78 78 PHE N N 78 121.929 121.929 123.113 -1.184 25702 6668 1 12 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.942 0.455 25702 6669 1 12 . 1 1 78 78 PHE C C 78 174.427 174.427 174.186 0.241 25702 6670 1 12 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.873 -0.492 25702 6671 1 12 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.279 0.039 25702 6672 1 12 . 1 1 78 78 PHE H H 78 9.748 9.748 9.372 0.376 25702 6673 1 12 . 1 1 79 79 LYS N N 79 117.221 117.221 121.157 -3.936 25702 6674 1 12 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.385 -0.572 25702 6675 1 12 . 1 1 79 79 LYS C C 79 177.709 177.709 176.564 1.145 25702 6676 1 12 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.857 2.565 25702 6677 1 12 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.657 0.612 25702 6678 1 12 . 1 1 79 79 LYS H H 79 8.741 8.741 9.350 -0.609 25702 6679 1 12 . 1 1 80 80 ASN N N 80 125.563 125.563 125.320 0.243 25702 6680 1 12 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.317 -0.012 25702 6681 1 12 . 1 1 80 80 ASN C C 80 175.395 175.395 175.602 -0.207 25702 6682 1 12 . 1 1 80 80 ASN CA C 80 54.469 54.469 54.147 0.322 25702 6683 1 12 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.286 1.385 25702 6684 1 12 . 1 1 80 80 ASN H H 80 8.890 8.890 9.210 -0.320 25702 6685 1 12 . 1 1 81 81 GLY N N 81 102.976 102.976 104.563 -1.587 25702 6686 1 12 . 1 1 81 81 GLY C C 81 173.223 173.223 173.919 -0.696 25702 6687 1 12 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.270 0.374 25702 6688 1 12 . 1 1 81 81 GLY H H 81 8.640 8.640 8.767 -0.127 25702 6689 1 12 . 1 1 82 82 LYS N N 82 119.280 119.280 120.181 -0.901 25702 6690 1 12 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.726 -0.003 25702 6691 1 12 . 1 1 82 82 LYS C C 82 174.897 174.897 175.330 -0.433 25702 6692 1 12 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.305 0.050 25702 6693 1 12 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.471 -0.144 25702 6694 1 12 . 1 1 82 82 LYS H H 82 7.583 7.583 7.973 -0.390 25702 6695 1 12 . 1 1 83 83 GLU N N 83 125.460 125.460 119.749 5.711 25702 6696 1 12 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.790 0.069 25702 6697 1 12 . 1 1 83 83 GLU C C 83 177.249 177.249 177.324 -0.075 25702 6698 1 12 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.713 -0.754 25702 6699 1 12 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.197 0.315 25702 6700 1 12 . 1 1 83 83 GLU H H 83 8.818 8.818 8.675 0.143 25702 6701 1 12 . 1 1 84 84 VAL N N 84 121.989 121.989 113.975 8.014 25702 6702 1 12 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.376 0.046 25702 6703 1 12 . 1 1 84 84 VAL C C 84 175.625 175.625 174.896 0.729 25702 6704 1 12 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.967 -0.884 25702 6705 1 12 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.457 -1.366 25702 6706 1 12 . 1 1 84 84 VAL H H 84 9.281 9.281 7.993 1.288 25702 6707 1 12 . 1 1 85 85 ALA N N 85 121.284 121.284 122.501 -1.217 25702 6708 1 12 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.571 -0.172 25702 6709 1 12 . 1 1 85 85 ALA C C 85 173.805 173.805 174.429 -0.624 25702 6710 1 12 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.302 0.354 25702 6711 1 12 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.136 0.852 25702 6712 1 12 . 1 1 85 85 ALA H H 85 7.564 7.564 7.443 0.121 25702 6713 1 12 . 1 1 86 86 LYS N N 86 119.558 119.558 121.725 -2.167 25702 6714 1 12 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.273 -0.327 25702 6715 1 12 . 1 1 86 86 LYS C C 86 174.999 174.999 174.711 0.288 25702 6716 1 12 . 1 1 86 86 LYS CA C 86 55.339 55.339 54.886 0.453 25702 6717 1 12 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.505 0.099 25702 6718 1 12 . 1 1 86 86 LYS H H 86 8.000 8.000 8.331 -0.331 25702 6719 1 12 . 1 1 87 87 VAL N N 87 126.118 126.118 123.082 3.036 25702 6720 1 12 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.405 0.298 25702 6721 1 12 . 1 1 87 87 VAL C C 87 174.516 174.516 175.237 -0.721 25702 6722 1 12 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.418 -0.039 25702 6723 1 12 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.318 -1.131 25702 6724 1 12 . 1 1 87 87 VAL H H 87 9.198 9.198 9.004 0.194 25702 6725 1 12 . 1 1 88 88 VAL N N 88 128.549 128.549 122.092 6.457 25702 6726 1 12 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.622 -0.168 25702 6727 1 12 . 1 1 88 88 VAL C C 88 176.142 176.142 175.479 0.663 25702 6728 1 12 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.622 0.360 25702 6729 1 12 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.101 2.540 25702 6730 1 12 . 1 1 88 88 VAL H H 88 9.031 9.031 8.496 0.535 25702 6731 1 12 . 1 1 89 89 GLY N N 89 114.516 114.516 108.970 5.546 25702 6732 1 12 . 1 1 89 89 GLY C C 89 173.063 173.063 173.021 0.042 25702 6733 1 12 . 1 1 89 89 GLY CA C 89 43.506 43.506 44.870 -1.364 25702 6734 1 12 . 1 1 89 89 GLY H H 89 8.379 8.379 7.520 0.859 25702 6735 1 12 . 1 1 90 90 ALA N N 90 122.292 122.292 123.358 -1.066 25702 6736 1 12 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.138 0.057 25702 6737 1 12 . 1 1 90 90 ALA C C 90 174.897 174.897 176.385 -1.488 25702 6738 1 12 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.536 -2.097 25702 6739 1 12 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.860 -0.979 25702 6740 1 12 . 1 1 90 90 ALA H H 90 8.592 8.592 8.535 0.057 25702 6741 1 12 . 1 1 91 91 ASN N N 91 120.220 120.220 124.254 -4.034 25702 6742 1 12 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.018 0.093 25702 6743 1 12 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.453 0.559 25702 6744 1 12 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.301 -0.323 25702 6745 1 12 . 1 1 91 91 ASN H H 91 7.386 7.386 8.572 -1.186 25702 6746 1 12 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.098 -0.070 25702 6747 1 12 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.426 -4.329 25702 6748 1 12 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.278 -0.183 25702 6749 1 12 . 1 1 93 93 ALA C C 93 180.205 180.205 179.673 0.532 25702 6750 1 12 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.382 0.784 25702 6751 1 12 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.126 -0.145 25702 6752 1 12 . 1 1 94 94 ALA N N 94 120.499 120.499 122.519 -2.020 25702 6753 1 12 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.191 -0.130 25702 6754 1 12 . 1 1 94 94 ALA C C 94 180.917 180.917 179.980 0.937 25702 6755 1 12 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.824 -0.564 25702 6756 1 12 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.386 0.412 25702 6757 1 12 . 1 1 94 94 ALA H H 94 7.223 7.223 8.251 -1.028 25702 6758 1 12 . 1 1 95 95 ILE N N 95 119.397 119.397 118.322 1.075 25702 6759 1 12 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.742 -0.390 25702 6760 1 12 . 1 1 95 95 ILE C C 95 176.217 176.217 177.888 -1.671 25702 6761 1 12 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.416 2.537 25702 6762 1 12 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.998 1.382 25702 6763 1 12 . 1 1 95 95 ILE H H 95 7.772 7.772 8.766 -0.994 25702 6764 1 12 . 1 1 96 96 LYS N N 96 118.919 118.919 119.414 -0.495 25702 6765 1 12 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.231 -1.214 25702 6766 1 12 . 1 1 96 96 LYS C C 96 177.824 177.824 179.916 -2.092 25702 6767 1 12 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.362 1.264 25702 6768 1 12 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.082 0.083 25702 6769 1 12 . 1 1 96 96 LYS H H 96 8.112 8.112 7.608 0.504 25702 6770 1 12 . 1 1 97 97 GLN N N 97 115.480 115.480 119.388 -3.908 25702 6771 1 12 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.189 -0.337 25702 6772 1 12 . 1 1 97 97 GLN C C 97 178.014 178.014 177.415 0.599 25702 6773 1 12 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.785 -0.202 25702 6774 1 12 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.746 -0.402 25702 6775 1 12 . 1 1 97 97 GLN H H 97 7.686 7.686 8.179 -0.493 25702 6776 1 12 . 1 1 98 98 ALA N N 98 120.911 120.911 123.342 -2.431 25702 6777 1 12 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.053 -0.123 25702 6778 1 12 . 1 1 98 98 ALA C C 98 179.544 179.544 179.600 -0.056 25702 6779 1 12 . 1 1 98 98 ALA CA C 98 54.749 54.749 54.898 -0.149 25702 6780 1 12 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.085 -0.170 25702 6781 1 12 . 1 1 98 98 ALA H H 98 7.446 7.446 7.219 0.227 25702 6782 1 12 . 1 1 99 99 ILE N N 99 117.780 117.780 118.305 -0.525 25702 6783 1 12 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.497 -0.450 25702 6784 1 12 . 1 1 99 99 ILE C C 99 177.087 177.087 177.844 -0.757 25702 6785 1 12 . 1 1 99 99 ILE CA C 99 65.459 65.459 65.550 -0.091 25702 6786 1 12 . 1 1 99 99 ILE CB C 99 38.132 38.132 37.527 0.605 25702 6787 1 12 . 1 1 99 99 ILE H H 99 7.735 7.735 8.413 -0.678 25702 6788 1 12 . 1 1 100 100 ALA N N 100 119.516 119.516 120.440 -0.924 25702 6789 1 12 . 1 1 100 100 ALA C C 100 180.431 180.431 178.373 2.058 25702 6790 1 12 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.356 0.889 25702 6791 1 12 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.081 0.211 25702 6792 1 12 . 1 1 100 100 ALA H H 100 8.214 8.214 7.735 0.479 25702 6793 1 12 . 1 1 101 101 ALA N N 101 115.674 115.674 121.387 -5.713 25702 6794 1 12 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.107 -0.037 25702 6795 1 12 . 1 1 101 101 ALA C C 101 178.213 178.213 179.213 -1.000 25702 6796 1 12 . 1 1 101 101 ALA CA C 101 53.884 53.884 54.074 -0.190 25702 6797 1 12 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.358 -0.315 25702 6798 1 12 . 1 1 101 101 ALA H H 101 7.619 7.619 7.727 -0.108 25702 6799 1 12 . 1 1 102 102 ASN N N 102 115.986 115.986 114.649 1.337 25702 6800 1 12 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.599 0.185 25702 6801 1 12 . 1 1 102 102 ASN C C 102 172.740 172.740 176.025 -3.285 25702 6802 1 12 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.084 0.216 25702 6803 1 12 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.458 3.432 25702 6804 1 12 . 1 1 102 102 ASN H H 102 7.116 7.116 8.353 -1.237 25702 6805 1 13 . 1 1 2 2 VAL N N 2 125.020 125.020 127.616 -2.596 25702 6806 1 13 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.247 -0.169 25702 6807 1 13 . 1 1 2 2 VAL C C 2 175.261 175.261 176.088 -0.827 25702 6808 1 13 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.943 -0.894 25702 6809 1 13 . 1 1 2 2 VAL CB C 2 32.667 32.667 33.289 -0.622 25702 6810 1 13 . 1 1 2 2 VAL H H 2 8.590 8.590 8.487 0.103 25702 6811 1 13 . 1 1 3 3 THR N N 3 125.759 125.759 124.822 0.937 25702 6812 1 13 . 1 1 3 3 THR HA H 3 4.138 4.138 4.440 -0.302 25702 6813 1 13 . 1 1 3 3 THR C C 3 173.129 173.129 172.838 0.291 25702 6814 1 13 . 1 1 3 3 THR CA C 3 62.804 62.804 62.642 0.162 25702 6815 1 13 . 1 1 3 3 THR CB C 3 69.547 69.547 69.667 -0.120 25702 6816 1 13 . 1 1 3 3 THR H H 3 7.778 7.778 8.448 -0.670 25702 6817 1 13 . 1 1 4 4 GLN N N 4 127.746 127.746 124.216 3.530 25702 6818 1 13 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.980 -0.241 25702 6819 1 13 . 1 1 4 4 GLN C C 4 176.754 176.754 175.491 1.263 25702 6820 1 13 . 1 1 4 4 GLN CA C 4 54.435 54.435 54.853 -0.418 25702 6821 1 13 . 1 1 4 4 GLN CB C 4 29.530 29.530 30.031 -0.501 25702 6822 1 13 . 1 1 4 4 GLN H H 4 8.975 8.975 8.471 0.504 25702 6823 1 13 . 1 1 5 5 PHE N N 5 126.242 126.242 126.678 -0.436 25702 6824 1 13 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.631 0.186 25702 6825 1 13 . 1 1 5 5 PHE C C 5 176.102 176.102 175.498 0.604 25702 6826 1 13 . 1 1 5 5 PHE CA C 5 58.528 58.528 57.090 1.438 25702 6827 1 13 . 1 1 5 5 PHE CB C 5 40.520 40.520 41.056 -0.536 25702 6828 1 13 . 1 1 5 5 PHE H H 5 8.422 8.422 8.645 -0.223 25702 6829 1 13 . 1 1 6 6 LYS N N 6 119.482 119.482 118.058 1.424 25702 6830 1 13 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.542 0.079 25702 6831 1 13 . 1 1 6 6 LYS C C 6 176.994 176.994 176.110 0.884 25702 6832 1 13 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.578 -0.563 25702 6833 1 13 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.101 0.031 25702 6834 1 13 . 1 1 6 6 LYS H H 6 9.822 9.822 8.626 1.196 25702 6835 1 13 . 1 1 7 7 THR N N 7 107.464 107.464 110.032 -2.568 25702 6836 1 13 . 1 1 7 7 THR HA H 7 4.597 4.597 4.585 0.013 25702 6837 1 13 . 1 1 7 7 THR C C 7 173.921 173.921 173.980 -0.059 25702 6838 1 13 . 1 1 7 7 THR CA C 7 59.155 59.155 59.676 -0.521 25702 6839 1 13 . 1 1 7 7 THR CB C 7 72.660 72.660 71.512 1.148 25702 6840 1 13 . 1 1 7 7 THR H H 7 7.484 7.484 7.739 -0.255 25702 6841 1 13 . 1 1 8 8 ALA N N 8 123.987 123.987 121.717 2.270 25702 6842 1 13 . 1 1 8 8 ALA HA H 8 3.709 3.709 3.939 -0.230 25702 6843 1 13 . 1 1 8 8 ALA C C 8 179.409 179.409 178.901 0.508 25702 6844 1 13 . 1 1 8 8 ALA CA C 8 55.002 55.002 55.184 -0.182 25702 6845 1 13 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.111 -0.021 25702 6846 1 13 . 1 1 8 8 ALA H H 8 9.031 9.031 8.928 0.103 25702 6847 1 13 . 1 1 9 9 SER N N 9 112.387 112.387 114.009 -1.622 25702 6848 1 13 . 1 1 9 9 SER HA H 9 4.127 4.127 4.056 0.071 25702 6849 1 13 . 1 1 9 9 SER C C 9 177.070 177.070 176.700 0.370 25702 6850 1 13 . 1 1 9 9 SER CA C 9 61.109 61.109 61.644 -0.534 25702 6851 1 13 . 1 1 9 9 SER CB C 9 62.226 62.226 62.822 -0.596 25702 6852 1 13 . 1 1 9 9 SER H H 9 8.161 8.161 7.844 0.317 25702 6853 1 13 . 1 1 10 10 GLU N N 10 121.941 121.941 121.455 0.486 25702 6854 1 13 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.873 -0.022 25702 6855 1 13 . 1 1 10 10 GLU C C 10 178.776 178.776 178.320 0.456 25702 6856 1 13 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.320 -0.637 25702 6857 1 13 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.121 1.883 25702 6858 1 13 . 1 1 10 10 GLU H H 10 7.522 7.522 7.483 0.039 25702 6859 1 13 . 1 1 11 11 PHE N N 11 120.541 120.541 119.594 0.947 25702 6860 1 13 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.698 0.148 25702 6861 1 13 . 1 1 11 11 PHE C C 11 174.944 174.944 176.844 -1.900 25702 6862 1 13 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.601 0.106 25702 6863 1 13 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.828 -1.090 25702 6864 1 13 . 1 1 11 11 PHE H H 11 6.624 6.624 7.175 -0.551 25702 6865 1 13 . 1 1 12 12 ASP N N 12 117.847 117.847 118.518 -0.671 25702 6866 1 13 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.123 -0.292 25702 6867 1 13 . 1 1 12 12 ASP C C 12 178.767 178.767 178.573 0.194 25702 6868 1 13 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.366 -0.148 25702 6869 1 13 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.706 -0.407 25702 6870 1 13 . 1 1 12 12 ASP H H 12 7.637 7.637 8.506 -0.869 25702 6871 1 13 . 1 1 13 13 SER N N 13 111.904 111.904 115.350 -3.446 25702 6872 1 13 . 1 1 13 13 SER HA H 13 4.034 4.034 4.114 -0.080 25702 6873 1 13 . 1 1 13 13 SER C C 13 176.341 176.341 176.185 0.156 25702 6874 1 13 . 1 1 13 13 SER CA C 13 60.857 60.857 61.174 -0.317 25702 6875 1 13 . 1 1 13 13 SER CB C 13 63.144 63.144 63.171 -0.027 25702 6876 1 13 . 1 1 13 13 SER H H 13 7.539 7.539 8.054 -0.515 25702 6877 1 13 . 1 1 14 14 ALA N N 14 123.793 123.793 122.565 1.228 25702 6878 1 13 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.971 0.056 25702 6879 1 13 . 1 1 14 14 ALA C C 14 180.358 180.358 179.534 0.824 25702 6880 1 13 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.221 0.619 25702 6881 1 13 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.412 0.414 25702 6882 1 13 . 1 1 14 14 ALA H H 14 7.647 7.647 7.408 0.239 25702 6883 1 13 . 1 1 15 15 ILE N N 15 106.782 106.782 119.179 -12.397 25702 6884 1 13 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.577 0.143 25702 6885 1 13 . 1 1 15 15 ILE C C 15 176.012 176.012 177.727 -1.715 25702 6886 1 13 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.786 1.709 25702 6887 1 13 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.064 1.731 25702 6888 1 13 . 1 1 15 15 ILE H H 15 7.146 7.146 7.648 -0.502 25702 6889 1 13 . 1 1 16 16 ALA N N 16 122.248 122.248 119.077 3.171 25702 6890 1 13 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.161 -0.130 25702 6891 1 13 . 1 1 16 16 ALA C C 16 177.072 177.072 176.927 0.145 25702 6892 1 13 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.045 -0.295 25702 6893 1 13 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.234 0.136 25702 6894 1 13 . 1 1 16 16 ALA H H 16 6.627 6.627 7.359 -0.732 25702 6895 1 13 . 1 1 17 17 GLN N N 17 115.254 115.254 118.841 -3.587 25702 6896 1 13 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.249 -0.030 25702 6897 1 13 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.306 0.592 25702 6898 1 13 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.671 4.293 25702 6899 1 13 . 1 1 17 17 GLN H H 17 7.136 7.136 7.314 -0.178 25702 6900 1 13 . 1 1 18 18 ASP N N 18 122.840 122.840 119.806 3.034 25702 6901 1 13 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.489 0.043 25702 6902 1 13 . 1 1 18 18 ASP C C 18 175.348 175.348 175.213 0.135 25702 6903 1 13 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.518 -0.008 25702 6904 1 13 . 1 1 18 18 ASP CB C 18 39.050 39.050 38.988 0.062 25702 6905 1 13 . 1 1 18 18 ASP H H 18 8.644 8.644 8.678 -0.034 25702 6906 1 13 . 1 1 19 19 LYS N N 19 118.503 118.503 114.981 3.522 25702 6907 1 13 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.553 -0.170 25702 6908 1 13 . 1 1 19 19 LYS C C 19 173.289 173.289 175.074 -1.785 25702 6909 1 13 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.150 0.571 25702 6910 1 13 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.484 -0.268 25702 6911 1 13 . 1 1 19 19 LYS H H 19 7.939 7.939 7.450 0.489 25702 6912 1 13 . 1 1 20 20 LEU N N 20 120.813 120.813 123.801 -2.988 25702 6913 1 13 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.910 -0.201 25702 6914 1 13 . 1 1 20 20 LEU C C 20 174.429 174.429 175.886 -1.457 25702 6915 1 13 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.971 0.816 25702 6916 1 13 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.775 -0.214 25702 6917 1 13 . 1 1 20 20 LEU H H 20 8.625 8.625 8.810 -0.185 25702 6918 1 13 . 1 1 21 21 VAL N N 21 128.813 128.813 128.602 0.211 25702 6919 1 13 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.282 -0.017 25702 6920 1 13 . 1 1 21 21 VAL C C 21 174.618 174.618 175.044 -0.426 25702 6921 1 13 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.759 -0.176 25702 6922 1 13 . 1 1 21 21 VAL CB C 21 34.577 34.577 31.896 2.681 25702 6923 1 13 . 1 1 21 21 VAL H H 21 9.251 9.251 9.136 0.115 25702 6924 1 13 . 1 1 22 22 VAL N N 22 130.243 130.243 129.761 0.482 25702 6925 1 13 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.260 0.003 25702 6926 1 13 . 1 1 22 22 VAL C C 22 174.802 174.802 174.688 0.114 25702 6927 1 13 . 1 1 22 22 VAL CA C 22 61.642 61.642 62.480 -0.838 25702 6928 1 13 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.649 1.175 25702 6929 1 13 . 1 1 22 22 VAL H H 22 8.969 8.969 9.292 -0.323 25702 6930 1 13 . 1 1 23 23 VAL N N 23 125.526 125.526 128.849 -3.323 25702 6931 1 13 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.920 -0.268 25702 6932 1 13 . 1 1 23 23 VAL C C 23 174.086 174.086 174.801 -0.715 25702 6933 1 13 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.691 1.092 25702 6934 1 13 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.078 1.346 25702 6935 1 13 . 1 1 23 23 VAL H H 23 9.555 9.555 8.770 0.785 25702 6936 1 13 . 1 1 24 24 ALA N N 24 130.468 130.468 131.782 -1.314 25702 6937 1 13 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.906 0.097 25702 6938 1 13 . 1 1 24 24 ALA C C 24 175.093 175.093 175.900 -0.807 25702 6939 1 13 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.697 0.412 25702 6940 1 13 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.751 -0.208 25702 6941 1 13 . 1 1 24 24 ALA H H 24 9.004 9.004 9.434 -0.430 25702 6942 1 13 . 1 1 25 25 PHE N N 25 124.289 124.289 126.780 -2.491 25702 6943 1 13 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.396 -0.377 25702 6944 1 13 . 1 1 25 25 PHE C C 25 174.794 174.794 174.626 0.168 25702 6945 1 13 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.859 1.761 25702 6946 1 13 . 1 1 25 25 PHE CB C 25 39.765 39.765 40.514 -0.749 25702 6947 1 13 . 1 1 25 25 PHE H H 25 9.455 9.455 9.135 0.320 25702 6948 1 13 . 1 1 26 26 TYR N N 26 120.967 120.967 121.387 -0.420 25702 6949 1 13 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.916 0.435 25702 6950 1 13 . 1 1 26 26 TYR C C 26 171.352 171.352 172.834 -1.482 25702 6951 1 13 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.422 -0.591 25702 6952 1 13 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.935 1.998 25702 6953 1 13 . 1 1 26 26 TYR H H 26 8.908 8.908 8.330 0.578 25702 6954 1 13 . 1 1 27 27 ALA N N 27 119.133 119.133 122.833 -3.700 25702 6955 1 13 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.466 -0.907 25702 6956 1 13 . 1 1 27 27 ALA C C 27 179.092 179.092 178.785 0.307 25702 6957 1 13 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.050 1.104 25702 6958 1 13 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.771 1.179 25702 6959 1 13 . 1 1 27 27 ALA H H 27 6.962 6.962 8.463 -1.501 25702 6960 1 13 . 1 1 28 28 THR N N 28 116.784 116.784 118.159 -1.375 25702 6961 1 13 . 1 1 28 28 THR HA H 28 3.867 3.867 4.152 -0.285 25702 6962 1 13 . 1 1 28 28 THR C C 28 174.957 174.957 175.726 -0.769 25702 6963 1 13 . 1 1 28 28 THR CA C 28 64.820 64.820 64.808 0.011 25702 6964 1 13 . 1 1 28 28 THR CB C 28 69.197 69.197 68.936 0.261 25702 6965 1 13 . 1 1 28 28 THR H H 28 10.053 10.053 9.383 0.670 25702 6966 1 13 . 1 1 29 29 TRP N N 29 114.763 114.763 118.550 -3.787 25702 6967 1 13 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.695 -0.173 25702 6968 1 13 . 1 1 29 29 TRP C C 29 175.478 175.478 176.091 -0.613 25702 6969 1 13 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.599 -2.094 25702 6970 1 13 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.551 0.793 25702 6971 1 13 . 1 1 29 29 TRP H H 29 6.495 6.495 7.599 -1.104 25702 6972 1 13 . 1 1 30 30 CYS N N 30 122.729 122.729 121.067 1.662 25702 6973 1 13 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.314 0.177 25702 6974 1 13 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.676 -0.174 25702 6975 1 13 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.552 -1.904 25702 6976 1 13 . 1 1 30 30 CYS H H 30 6.484 6.484 7.363 -0.879 25702 6977 1 13 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.145 -0.185 25702 6978 1 13 . 1 1 33 33 CYS C C 33 176.605 176.605 175.691 0.914 25702 6979 1 13 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.791 2.772 25702 6980 1 13 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.273 0.954 25702 6981 1 13 . 1 1 34 34 LYS N N 34 120.638 120.638 119.442 1.196 25702 6982 1 13 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.911 0.011 25702 6983 1 13 . 1 1 34 34 LYS C C 34 178.623 178.623 177.371 1.252 25702 6984 1 13 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.188 0.934 25702 6985 1 13 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.302 0.885 25702 6986 1 13 . 1 1 34 34 LYS H H 34 7.828 7.828 7.249 0.579 25702 6987 1 13 . 1 1 35 35 MET N N 35 115.754 115.754 118.694 -2.940 25702 6988 1 13 . 1 1 35 35 MET HA H 35 4.230 4.230 4.347 -0.117 25702 6989 1 13 . 1 1 35 35 MET C C 35 177.927 177.927 177.236 0.691 25702 6990 1 13 . 1 1 35 35 MET CA C 35 56.931 56.931 55.703 1.228 25702 6991 1 13 . 1 1 35 35 MET CB C 35 32.038 32.038 33.157 -1.119 25702 6992 1 13 . 1 1 35 35 MET H H 35 7.612 7.612 7.535 0.077 25702 6993 1 13 . 1 1 36 36 ILE N N 36 114.905 114.905 119.274 -4.369 25702 6994 1 13 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.772 0.480 25702 6995 1 13 . 1 1 36 36 ILE C C 36 176.681 176.681 177.229 -0.548 25702 6996 1 13 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.344 -2.201 25702 6997 1 13 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.104 1.781 25702 6998 1 13 . 1 1 36 36 ILE H H 36 7.399 7.399 7.449 -0.050 25702 6999 1 13 . 1 1 37 37 ALA N N 37 125.154 125.154 123.296 1.858 25702 7000 1 13 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.896 0.183 25702 7001 1 13 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.851 0.220 25702 7002 1 13 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.015 -0.556 25702 7003 1 13 . 1 1 37 37 ALA H H 37 7.587 7.587 7.397 0.190 25702 7004 1 13 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.271 -0.032 25702 7005 1 13 . 1 1 38 38 PRO C C 38 179.456 179.456 178.165 1.291 25702 7006 1 13 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.993 0.194 25702 7007 1 13 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.498 -0.736 25702 7008 1 13 . 1 1 39 39 MET N N 39 117.231 117.231 118.799 -1.568 25702 7009 1 13 . 1 1 39 39 MET HA H 39 3.854 3.854 4.002 -0.148 25702 7010 1 13 . 1 1 39 39 MET C C 39 177.388 177.388 177.497 -0.109 25702 7011 1 13 . 1 1 39 39 MET CA C 39 57.916 57.916 59.162 -1.246 25702 7012 1 13 . 1 1 39 39 MET CB C 39 32.238 32.238 32.441 -0.203 25702 7013 1 13 . 1 1 39 39 MET H H 39 7.051 7.051 7.604 -0.553 25702 7014 1 13 . 1 1 40 40 ILE N N 40 117.419 117.419 118.698 -1.279 25702 7015 1 13 . 1 1 40 40 ILE HA H 40 3.675 3.675 2.007 1.667 25702 7016 1 13 . 1 1 40 40 ILE C C 40 177.699 177.699 177.103 0.596 25702 7017 1 13 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.415 -0.746 25702 7018 1 13 . 1 1 40 40 ILE CB C 40 35.771 35.771 37.775 -2.004 25702 7019 1 13 . 1 1 40 40 ILE H H 40 7.825 7.825 7.226 0.599 25702 7020 1 13 . 1 1 41 41 GLU N N 41 119.014 119.014 119.366 -0.352 25702 7021 1 13 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.831 -0.245 25702 7022 1 13 . 1 1 41 41 GLU C C 41 180.065 180.065 178.260 1.805 25702 7023 1 13 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.783 0.624 25702 7024 1 13 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.477 -1.003 25702 7025 1 13 . 1 1 41 41 GLU H H 41 7.475 7.475 7.451 0.024 25702 7026 1 13 . 1 1 42 42 LYS N N 42 120.988 120.988 120.018 0.970 25702 7027 1 13 . 1 1 42 42 LYS HA H 42 3.917 3.917 4.018 -0.101 25702 7028 1 13 . 1 1 42 42 LYS C C 42 179.895 179.895 178.813 1.082 25702 7029 1 13 . 1 1 42 42 LYS CA C 42 59.034 59.034 57.787 1.247 25702 7030 1 13 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.621 -0.776 25702 7031 1 13 . 1 1 42 42 LYS H H 42 7.402 7.402 7.443 -0.041 25702 7032 1 13 . 1 1 43 43 PHE N N 43 118.946 118.946 118.963 -0.017 25702 7033 1 13 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.965 -0.801 25702 7034 1 13 . 1 1 43 43 PHE C C 43 177.806 177.806 177.579 0.227 25702 7035 1 13 . 1 1 43 43 PHE CA C 43 60.022 60.022 58.671 1.351 25702 7036 1 13 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.846 -0.426 25702 7037 1 13 . 1 1 43 43 PHE H H 43 8.270 8.270 7.695 0.575 25702 7038 1 13 . 1 1 44 44 SER N N 44 116.035 116.035 111.965 4.070 25702 7039 1 13 . 1 1 44 44 SER HA H 44 2.873 2.873 4.325 -1.452 25702 7040 1 13 . 1 1 44 44 SER C C 44 175.522 175.522 176.177 -0.655 25702 7041 1 13 . 1 1 44 44 SER CA C 44 60.173 60.173 60.128 0.045 25702 7042 1 13 . 1 1 44 44 SER CB C 44 61.911 61.911 63.206 -1.295 25702 7043 1 13 . 1 1 44 44 SER H H 44 7.763 7.763 7.666 0.097 25702 7044 1 13 . 1 1 45 45 GLU N N 45 120.563 120.563 121.934 -1.371 25702 7045 1 13 . 1 1 45 45 GLU HA H 45 4.059 4.059 4.018 0.041 25702 7046 1 13 . 1 1 45 45 GLU C C 45 177.798 177.798 177.441 0.357 25702 7047 1 13 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.823 -1.520 25702 7048 1 13 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.621 0.016 25702 7049 1 13 . 1 1 45 45 GLU H H 45 6.888 6.888 7.591 -0.703 25702 7050 1 13 . 1 1 46 46 GLN N N 46 118.400 118.400 116.853 1.547 25702 7051 1 13 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.112 -0.185 25702 7052 1 13 . 1 1 46 46 GLN C C 46 175.422 175.422 176.405 -0.983 25702 7053 1 13 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.402 -0.369 25702 7054 1 13 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.273 -0.583 25702 7055 1 13 . 1 1 46 46 GLN H H 46 7.451 7.451 7.433 0.018 25702 7056 1 13 . 1 1 47 47 TYR N N 47 115.979 115.979 114.580 1.399 25702 7057 1 13 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.088 -0.105 25702 7058 1 13 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.643 2.441 25702 7059 1 13 . 1 1 47 47 TYR CB C 47 38.074 38.074 37.998 0.076 25702 7060 1 13 . 1 1 47 47 TYR H H 47 7.433 7.433 7.449 -0.016 25702 7061 1 13 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.588 0.123 25702 7062 1 13 . 1 1 48 48 PRO C C 48 177.453 177.453 177.453 0.000 25702 7063 1 13 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.749 0.545 25702 7064 1 13 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.992 -0.122 25702 7065 1 13 . 1 1 49 49 GLN N N 49 119.035 119.035 118.589 0.446 25702 7066 1 13 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.236 0.124 25702 7067 1 13 . 1 1 49 49 GLN C C 49 174.990 174.990 175.354 -0.364 25702 7068 1 13 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.071 -0.611 25702 7069 1 13 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.833 -1.054 25702 7070 1 13 . 1 1 49 49 GLN H H 49 9.617 9.617 8.385 1.232 25702 7071 1 13 . 1 1 50 50 ALA N N 50 127.008 127.008 120.877 6.131 25702 7072 1 13 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.585 0.462 25702 7073 1 13 . 1 1 50 50 ALA C C 50 175.173 175.173 175.624 -0.451 25702 7074 1 13 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.917 -0.869 25702 7075 1 13 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.727 0.439 25702 7076 1 13 . 1 1 50 50 ALA H H 50 8.170 8.170 7.438 0.732 25702 7077 1 13 . 1 1 51 51 ASP N N 51 120.039 120.039 119.869 0.170 25702 7078 1 13 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.515 0.590 25702 7079 1 13 . 1 1 51 51 ASP C C 51 174.707 174.707 174.804 -0.097 25702 7080 1 13 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.860 -0.856 25702 7081 1 13 . 1 1 51 51 ASP CB C 51 44.273 44.273 44.059 0.214 25702 7082 1 13 . 1 1 51 51 ASP H H 51 8.411 8.411 8.683 -0.272 25702 7083 1 13 . 1 1 52 52 PHE N N 52 120.670 120.670 118.668 2.002 25702 7084 1 13 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.073 0.106 25702 7085 1 13 . 1 1 52 52 PHE C C 52 174.633 174.633 173.884 0.749 25702 7086 1 13 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.283 1.429 25702 7087 1 13 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.786 2.088 25702 7088 1 13 . 1 1 52 52 PHE H H 52 8.943 8.943 7.110 1.833 25702 7089 1 13 . 1 1 53 53 TYR N N 53 120.949 120.949 122.610 -1.661 25702 7090 1 13 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.580 -0.103 25702 7091 1 13 . 1 1 53 53 TYR C C 53 174.507 174.507 174.317 0.190 25702 7092 1 13 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.563 -0.850 25702 7093 1 13 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.869 2.973 25702 7094 1 13 . 1 1 53 53 TYR H H 53 9.336 9.336 9.209 0.127 25702 7095 1 13 . 1 1 54 54 LYS N N 54 115.771 115.771 118.851 -3.080 25702 7096 1 13 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.428 0.071 25702 7097 1 13 . 1 1 54 54 LYS C C 54 173.200 173.200 173.561 -0.361 25702 7098 1 13 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.073 -1.578 25702 7099 1 13 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.462 -1.506 25702 7100 1 13 . 1 1 54 54 LYS H H 54 8.451 8.451 9.098 -0.647 25702 7101 1 13 . 1 1 55 55 LEU N N 55 123.037 123.037 120.112 2.925 25702 7102 1 13 . 1 1 55 55 LEU HA H 55 4.471 4.471 5.114 -0.643 25702 7103 1 13 . 1 1 55 55 LEU C C 55 172.053 172.053 173.285 -1.232 25702 7104 1 13 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.833 1.553 25702 7105 1 13 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.527 -0.714 25702 7106 1 13 . 1 1 55 55 LEU H H 55 8.783 8.783 8.603 0.180 25702 7107 1 13 . 1 1 56 56 ASP N N 56 126.250 126.250 122.793 3.457 25702 7108 1 13 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.094 -0.937 25702 7109 1 13 . 1 1 56 56 ASP C C 56 178.219 178.219 177.312 0.907 25702 7110 1 13 . 1 1 56 56 ASP CA C 56 52.242 52.242 51.537 0.705 25702 7111 1 13 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.418 -0.670 25702 7112 1 13 . 1 1 56 56 ASP H H 56 8.580 8.580 8.158 0.422 25702 7113 1 13 . 1 1 57 57 VAL N N 57 123.015 123.015 127.658 -4.643 25702 7114 1 13 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.758 -0.342 25702 7115 1 13 . 1 1 57 57 VAL C C 57 175.672 175.672 176.703 -1.031 25702 7116 1 13 . 1 1 57 57 VAL CA C 57 64.696 64.696 65.276 -0.580 25702 7117 1 13 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.889 -0.886 25702 7118 1 13 . 1 1 57 57 VAL H H 57 8.767 8.767 8.539 0.228 25702 7119 1 13 . 1 1 58 58 ASP N N 58 118.536 118.536 117.709 0.827 25702 7120 1 13 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.569 0.126 25702 7121 1 13 . 1 1 58 58 ASP C C 58 177.541 177.541 177.615 -0.074 25702 7122 1 13 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.833 -0.674 25702 7123 1 13 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.304 -0.834 25702 7124 1 13 . 1 1 58 58 ASP H H 58 8.653 8.653 8.203 0.450 25702 7125 1 13 . 1 1 59 59 GLU N N 59 119.610 119.610 118.051 1.559 25702 7126 1 13 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.294 0.059 25702 7127 1 13 . 1 1 59 59 GLU C C 59 177.106 177.106 177.346 -0.240 25702 7128 1 13 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.818 -0.449 25702 7129 1 13 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.753 0.947 25702 7130 1 13 . 1 1 59 59 GLU H H 59 7.596 7.596 7.747 -0.151 25702 7131 1 13 . 1 1 60 60 LEU N N 60 121.513 121.513 121.253 0.260 25702 7132 1 13 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.710 0.202 25702 7133 1 13 . 1 1 60 60 LEU C C 60 177.050 177.050 176.716 0.334 25702 7134 1 13 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.311 -0.947 25702 7135 1 13 . 1 1 60 60 LEU CB C 60 41.622 41.622 40.370 1.252 25702 7136 1 13 . 1 1 60 60 LEU H H 60 7.689 7.689 8.266 -0.577 25702 7137 1 13 . 1 1 61 61 GLY N N 61 111.170 111.170 109.543 1.627 25702 7138 1 13 . 1 1 61 61 GLY C C 61 176.313 176.313 175.460 0.853 25702 7139 1 13 . 1 1 61 61 GLY CA C 61 48.223 48.223 46.925 1.298 25702 7140 1 13 . 1 1 61 61 GLY H H 61 8.218 8.218 8.458 -0.240 25702 7141 1 13 . 1 1 62 62 ASP N N 62 119.711 119.711 120.077 -0.366 25702 7142 1 13 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.588 -0.270 25702 7143 1 13 . 1 1 62 62 ASP C C 62 178.935 178.935 177.957 0.978 25702 7144 1 13 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.513 0.166 25702 7145 1 13 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.816 -1.553 25702 7146 1 13 . 1 1 62 62 ASP H H 62 9.141 9.141 8.428 0.713 25702 7147 1 13 . 1 1 63 63 VAL N N 63 120.511 120.511 119.953 0.558 25702 7148 1 13 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.673 -0.350 25702 7149 1 13 . 1 1 63 63 VAL C C 63 179.266 179.266 177.465 1.801 25702 7150 1 13 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.613 -0.219 25702 7151 1 13 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.784 -0.492 25702 7152 1 13 . 1 1 63 63 VAL H H 63 7.275 7.275 7.187 0.088 25702 7153 1 13 . 1 1 64 64 ALA N N 64 122.711 122.711 120.619 2.092 25702 7154 1 13 . 1 1 64 64 ALA HA H 64 3.790 3.790 4.242 -0.452 25702 7155 1 13 . 1 1 64 64 ALA C C 64 178.540 178.540 179.119 -0.579 25702 7156 1 13 . 1 1 64 64 ALA CA C 64 55.885 55.885 54.751 1.134 25702 7157 1 13 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.659 -0.842 25702 7158 1 13 . 1 1 64 64 ALA H H 64 7.264 7.264 7.806 -0.542 25702 7159 1 13 . 1 1 65 65 GLN N N 65 117.988 117.988 116.355 1.633 25702 7160 1 13 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.114 -0.057 25702 7161 1 13 . 1 1 65 65 GLN C C 65 180.544 180.544 177.399 3.145 25702 7162 1 13 . 1 1 65 65 GLN CA C 65 59.009 59.009 58.057 0.952 25702 7163 1 13 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.640 -0.338 25702 7164 1 13 . 1 1 65 65 GLN H H 65 8.344 8.344 7.938 0.406 25702 7165 1 13 . 1 1 66 66 LYS N N 66 120.050 120.050 119.997 0.053 25702 7166 1 13 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.065 -0.011 25702 7167 1 13 . 1 1 66 66 LYS C C 66 176.954 176.954 177.628 -0.674 25702 7168 1 13 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.368 0.449 25702 7169 1 13 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.218 -0.039 25702 7170 1 13 . 1 1 66 66 LYS H H 66 7.971 7.971 7.553 0.418 25702 7171 1 13 . 1 1 67 67 ASN N N 67 114.553 114.553 114.190 0.363 25702 7172 1 13 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.572 0.204 25702 7173 1 13 . 1 1 67 67 ASN C C 67 171.614 171.614 174.629 -3.015 25702 7174 1 13 . 1 1 67 67 ASN CA C 67 54.080 54.080 51.996 2.084 25702 7175 1 13 . 1 1 67 67 ASN CB C 67 40.109 40.109 37.669 2.440 25702 7176 1 13 . 1 1 67 67 ASN H H 67 7.064 7.064 7.541 -0.477 25702 7177 1 13 . 1 1 68 68 GLU N N 68 114.491 114.491 115.911 -1.420 25702 7178 1 13 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.963 -0.222 25702 7179 1 13 . 1 1 68 68 GLU C C 68 175.660 175.660 174.490 1.170 25702 7180 1 13 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.175 -0.169 25702 7181 1 13 . 1 1 68 68 GLU CB C 68 26.972 26.972 29.383 -2.411 25702 7182 1 13 . 1 1 68 68 GLU H H 68 7.755 7.755 7.705 0.050 25702 7183 1 13 . 1 1 69 69 VAL N N 69 120.375 120.375 119.274 1.101 25702 7184 1 13 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.266 -0.362 25702 7185 1 13 . 1 1 69 69 VAL C C 69 175.415 175.415 174.357 1.058 25702 7186 1 13 . 1 1 69 69 VAL CA C 69 62.870 62.870 62.241 0.629 25702 7187 1 13 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.263 -0.349 25702 7188 1 13 . 1 1 69 69 VAL H H 69 7.787 7.787 7.890 -0.103 25702 7189 1 13 . 1 1 70 70 SER N N 70 121.558 121.558 123.854 -2.296 25702 7190 1 13 . 1 1 70 70 SER HA H 70 4.488 4.488 4.517 -0.029 25702 7191 1 13 . 1 1 70 70 SER C C 70 172.616 172.616 174.987 -2.371 25702 7192 1 13 . 1 1 70 70 SER CA C 70 57.728 57.728 58.542 -0.814 25702 7193 1 13 . 1 1 70 70 SER CB C 70 64.713 64.713 63.867 0.846 25702 7194 1 13 . 1 1 70 70 SER H H 70 8.565 8.565 8.639 -0.074 25702 7195 1 13 . 1 1 71 71 ALA N N 71 125.848 125.848 124.375 1.473 25702 7196 1 13 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.653 -0.074 25702 7197 1 13 . 1 1 71 71 ALA C C 71 175.531 175.531 176.027 -0.496 25702 7198 1 13 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.662 -0.170 25702 7199 1 13 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.114 1.248 25702 7200 1 13 . 1 1 71 71 ALA H H 71 7.861 7.861 8.158 -0.297 25702 7201 1 13 . 1 1 72 72 MET N N 72 118.991 118.991 116.313 2.678 25702 7202 1 13 . 1 1 72 72 MET HA H 72 4.879 4.879 4.948 -0.069 25702 7203 1 13 . 1 1 72 72 MET CA C 72 51.907 51.907 52.409 -0.502 25702 7204 1 13 . 1 1 72 72 MET CB C 72 35.595 35.595 34.181 1.414 25702 7205 1 13 . 1 1 72 72 MET H H 72 8.553 8.553 8.188 0.365 25702 7206 1 13 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.882 0.124 25702 7207 1 13 . 1 1 73 73 PRO C C 73 176.015 176.015 175.947 0.068 25702 7208 1 13 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.427 0.602 25702 7209 1 13 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.522 0.843 25702 7210 1 13 . 1 1 74 74 THR N N 74 114.577 114.577 116.623 -2.046 25702 7211 1 13 . 1 1 74 74 THR HA H 74 5.013 5.013 5.068 -0.055 25702 7212 1 13 . 1 1 74 74 THR C C 74 171.538 171.538 173.116 -1.578 25702 7213 1 13 . 1 1 74 74 THR CA C 74 63.556 63.556 61.675 1.881 25702 7214 1 13 . 1 1 74 74 THR CB C 74 73.238 73.238 72.895 0.343 25702 7215 1 13 . 1 1 74 74 THR H H 74 7.772 7.772 9.034 -1.262 25702 7216 1 13 . 1 1 75 75 LEU N N 75 131.086 131.086 125.951 5.135 25702 7217 1 13 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.376 0.110 25702 7218 1 13 . 1 1 75 75 LEU C C 75 174.827 174.827 175.438 -0.611 25702 7219 1 13 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.267 -0.945 25702 7220 1 13 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.989 0.160 25702 7221 1 13 . 1 1 75 75 LEU H H 75 9.517 9.517 9.336 0.181 25702 7222 1 13 . 1 1 76 76 LEU N N 76 123.573 123.573 125.357 -1.784 25702 7223 1 13 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.816 0.087 25702 7224 1 13 . 1 1 76 76 LEU C C 76 174.229 174.229 175.094 -0.865 25702 7225 1 13 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.879 -0.392 25702 7226 1 13 . 1 1 76 76 LEU CB C 76 46.070 46.070 44.949 1.121 25702 7227 1 13 . 1 1 76 76 LEU H H 76 9.214 9.214 9.229 -0.015 25702 7228 1 13 . 1 1 77 77 LEU N N 77 123.032 123.032 125.728 -2.696 25702 7229 1 13 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.537 -0.289 25702 7230 1 13 . 1 1 77 77 LEU C C 77 174.961 174.961 175.886 -0.925 25702 7231 1 13 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.469 1.260 25702 7232 1 13 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.938 -0.247 25702 7233 1 13 . 1 1 77 77 LEU H H 77 8.189 8.189 9.146 -0.957 25702 7234 1 13 . 1 1 78 78 PHE N N 78 121.929 121.929 122.303 -0.374 25702 7235 1 13 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.862 0.535 25702 7236 1 13 . 1 1 78 78 PHE C C 78 174.427 174.427 174.433 -0.006 25702 7237 1 13 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.971 -0.590 25702 7238 1 13 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.038 0.280 25702 7239 1 13 . 1 1 78 78 PHE H H 78 9.748 9.748 9.017 0.731 25702 7240 1 13 . 1 1 79 79 LYS N N 79 117.221 117.221 121.216 -3.995 25702 7241 1 13 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.131 -0.318 25702 7242 1 13 . 1 1 79 79 LYS C C 79 177.709 177.709 176.424 1.285 25702 7243 1 13 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.441 2.981 25702 7244 1 13 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.111 1.159 25702 7245 1 13 . 1 1 79 79 LYS H H 79 8.741 8.741 9.288 -0.547 25702 7246 1 13 . 1 1 80 80 ASN N N 80 125.563 125.563 124.969 0.594 25702 7247 1 13 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.389 -0.084 25702 7248 1 13 . 1 1 80 80 ASN C C 80 175.395 175.395 175.425 -0.030 25702 7249 1 13 . 1 1 80 80 ASN CA C 80 54.469 54.469 54.079 0.390 25702 7250 1 13 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.094 1.577 25702 7251 1 13 . 1 1 80 80 ASN H H 80 8.890 8.890 9.010 -0.120 25702 7252 1 13 . 1 1 81 81 GLY N N 81 102.976 102.976 104.633 -1.657 25702 7253 1 13 . 1 1 81 81 GLY C C 81 173.223 173.223 173.762 -0.539 25702 7254 1 13 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.346 0.299 25702 7255 1 13 . 1 1 81 81 GLY H H 81 8.640 8.640 8.857 -0.217 25702 7256 1 13 . 1 1 82 82 LYS N N 82 119.280 119.280 119.561 -0.281 25702 7257 1 13 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.697 0.026 25702 7258 1 13 . 1 1 82 82 LYS C C 82 174.897 174.897 175.136 -0.239 25702 7259 1 13 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.141 0.214 25702 7260 1 13 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.850 -0.523 25702 7261 1 13 . 1 1 82 82 LYS H H 82 7.583 7.583 7.709 -0.126 25702 7262 1 13 . 1 1 83 83 GLU N N 83 125.460 125.460 120.253 5.207 25702 7263 1 13 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.679 0.180 25702 7264 1 13 . 1 1 83 83 GLU C C 83 177.249 177.249 177.169 0.080 25702 7265 1 13 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.422 -0.463 25702 7266 1 13 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.247 0.265 25702 7267 1 13 . 1 1 83 83 GLU H H 83 8.818 8.818 8.673 0.145 25702 7268 1 13 . 1 1 84 84 VAL N N 84 121.989 121.989 114.017 7.972 25702 7269 1 13 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.418 0.004 25702 7270 1 13 . 1 1 84 84 VAL C C 84 175.625 175.625 175.102 0.523 25702 7271 1 13 . 1 1 84 84 VAL CA C 84 61.083 61.083 62.040 -0.957 25702 7272 1 13 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.494 -1.403 25702 7273 1 13 . 1 1 84 84 VAL H H 84 9.281 9.281 8.114 1.167 25702 7274 1 13 . 1 1 85 85 ALA N N 85 121.284 121.284 122.960 -1.676 25702 7275 1 13 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.558 -0.159 25702 7276 1 13 . 1 1 85 85 ALA C C 85 173.805 173.805 174.667 -0.862 25702 7277 1 13 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.310 0.346 25702 7278 1 13 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.276 0.712 25702 7279 1 13 . 1 1 85 85 ALA H H 85 7.564 7.564 7.415 0.149 25702 7280 1 13 . 1 1 86 86 LYS N N 86 119.558 119.558 119.908 -0.350 25702 7281 1 13 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.465 -0.519 25702 7282 1 13 . 1 1 86 86 LYS C C 86 174.999 174.999 174.890 0.109 25702 7283 1 13 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.241 0.098 25702 7284 1 13 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.313 0.292 25702 7285 1 13 . 1 1 86 86 LYS H H 86 8.000 8.000 8.192 -0.192 25702 7286 1 13 . 1 1 87 87 VAL N N 87 126.118 126.118 123.336 2.782 25702 7287 1 13 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.498 0.205 25702 7288 1 13 . 1 1 87 87 VAL C C 87 174.516 174.516 175.376 -0.860 25702 7289 1 13 . 1 1 87 87 VAL CA C 87 61.379 61.379 60.917 0.462 25702 7290 1 13 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.727 -1.540 25702 7291 1 13 . 1 1 87 87 VAL H H 87 9.198 9.198 9.120 0.078 25702 7292 1 13 . 1 1 88 88 VAL N N 88 128.549 128.549 120.692 7.857 25702 7293 1 13 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.578 -0.124 25702 7294 1 13 . 1 1 88 88 VAL C C 88 176.142 176.142 175.214 0.928 25702 7295 1 13 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.097 0.884 25702 7296 1 13 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.568 2.073 25702 7297 1 13 . 1 1 88 88 VAL H H 88 9.031 9.031 8.564 0.467 25702 7298 1 13 . 1 1 89 89 GLY N N 89 114.516 114.516 108.138 6.378 25702 7299 1 13 . 1 1 89 89 GLY C C 89 173.063 173.063 173.183 -0.120 25702 7300 1 13 . 1 1 89 89 GLY CA C 89 43.506 43.506 44.996 -1.490 25702 7301 1 13 . 1 1 89 89 GLY H H 89 8.379 8.379 7.377 1.002 25702 7302 1 13 . 1 1 90 90 ALA N N 90 122.292 122.292 124.295 -2.003 25702 7303 1 13 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.252 -0.057 25702 7304 1 13 . 1 1 90 90 ALA C C 90 174.897 174.897 176.856 -1.959 25702 7305 1 13 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.571 -2.132 25702 7306 1 13 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.822 -0.941 25702 7307 1 13 . 1 1 90 90 ALA H H 90 8.592 8.592 8.533 0.059 25702 7308 1 13 . 1 1 91 91 ASN N N 91 120.220 120.220 124.508 -4.288 25702 7309 1 13 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.046 0.065 25702 7310 1 13 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.558 0.454 25702 7311 1 13 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.372 -0.394 25702 7312 1 13 . 1 1 91 91 ASN H H 91 7.386 7.386 8.561 -1.175 25702 7313 1 13 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.181 -0.153 25702 7314 1 13 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.534 -4.437 25702 7315 1 13 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.319 -0.224 25702 7316 1 13 . 1 1 93 93 ALA C C 93 180.205 180.205 179.672 0.533 25702 7317 1 13 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.556 0.610 25702 7318 1 13 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.084 -0.103 25702 7319 1 13 . 1 1 94 94 ALA N N 94 120.499 120.499 122.066 -1.567 25702 7320 1 13 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.095 -0.034 25702 7321 1 13 . 1 1 94 94 ALA C C 94 180.917 180.917 179.639 1.278 25702 7322 1 13 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.819 -0.559 25702 7323 1 13 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.568 0.230 25702 7324 1 13 . 1 1 94 94 ALA H H 94 7.223 7.223 8.345 -1.122 25702 7325 1 13 . 1 1 95 95 ILE N N 95 119.397 119.397 117.389 2.008 25702 7326 1 13 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.765 -0.413 25702 7327 1 13 . 1 1 95 95 ILE C C 95 176.217 176.217 177.307 -1.090 25702 7328 1 13 . 1 1 95 95 ILE CA C 95 65.953 65.953 62.002 3.951 25702 7329 1 13 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.784 1.596 25702 7330 1 13 . 1 1 95 95 ILE H H 95 7.772 7.772 8.618 -0.846 25702 7331 1 13 . 1 1 96 96 LYS N N 96 118.919 118.919 121.447 -2.528 25702 7332 1 13 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.532 -0.515 25702 7333 1 13 . 1 1 96 96 LYS C C 96 177.824 177.824 179.178 -1.354 25702 7334 1 13 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.420 1.206 25702 7335 1 13 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.071 0.094 25702 7336 1 13 . 1 1 96 96 LYS H H 96 8.112 8.112 7.498 0.614 25702 7337 1 13 . 1 1 97 97 GLN N N 97 115.480 115.480 118.466 -2.986 25702 7338 1 13 . 1 1 97 97 GLN HA H 97 3.852 3.852 3.989 -0.137 25702 7339 1 13 . 1 1 97 97 GLN C C 97 178.014 178.014 177.943 0.071 25702 7340 1 13 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.541 0.042 25702 7341 1 13 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.442 -0.098 25702 7342 1 13 . 1 1 97 97 GLN H H 97 7.686 7.686 8.159 -0.473 25702 7343 1 13 . 1 1 98 98 ALA N N 98 120.911 120.911 123.014 -2.103 25702 7344 1 13 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.967 -0.037 25702 7345 1 13 . 1 1 98 98 ALA C C 98 179.544 179.544 179.625 -0.081 25702 7346 1 13 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.052 -0.303 25702 7347 1 13 . 1 1 98 98 ALA CB C 98 17.915 17.915 17.974 -0.059 25702 7348 1 13 . 1 1 98 98 ALA H H 98 7.446 7.446 7.357 0.089 25702 7349 1 13 . 1 1 99 99 ILE N N 99 117.780 117.780 118.424 -0.644 25702 7350 1 13 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.585 -0.538 25702 7351 1 13 . 1 1 99 99 ILE C C 99 177.087 177.087 178.191 -1.104 25702 7352 1 13 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.609 2.849 25702 7353 1 13 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.978 2.154 25702 7354 1 13 . 1 1 99 99 ILE H H 99 7.735 7.735 7.985 -0.250 25702 7355 1 13 . 1 1 100 100 ALA N N 100 119.516 119.516 120.660 -1.144 25702 7356 1 13 . 1 1 100 100 ALA C C 100 180.431 180.431 178.516 1.915 25702 7357 1 13 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.243 1.002 25702 7358 1 13 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.076 0.217 25702 7359 1 13 . 1 1 100 100 ALA H H 100 8.214 8.214 7.495 0.719 25702 7360 1 13 . 1 1 101 101 ALA N N 101 115.674 115.674 121.550 -5.876 25702 7361 1 13 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.097 -0.027 25702 7362 1 13 . 1 1 101 101 ALA C C 101 178.213 178.213 179.230 -1.017 25702 7363 1 13 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.968 -0.083 25702 7364 1 13 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.419 -0.376 25702 7365 1 13 . 1 1 101 101 ALA H H 101 7.619 7.619 7.637 -0.018 25702 7366 1 13 . 1 1 102 102 ASN N N 102 115.986 115.986 114.774 1.212 25702 7367 1 13 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.565 0.219 25702 7368 1 13 . 1 1 102 102 ASN C C 102 172.740 172.740 175.861 -3.121 25702 7369 1 13 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.209 0.091 25702 7370 1 13 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.286 3.603 25702 7371 1 13 . 1 1 102 102 ASN H H 102 7.116 7.116 8.423 -1.307 25702 7372 1 14 . 1 1 2 2 VAL N N 2 125.020 125.020 126.658 -1.638 25702 7373 1 14 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.144 -0.066 25702 7374 1 14 . 1 1 2 2 VAL C C 2 175.261 175.261 175.774 -0.513 25702 7375 1 14 . 1 1 2 2 VAL CA C 2 61.049 61.049 62.329 -1.280 25702 7376 1 14 . 1 1 2 2 VAL CB C 2 32.667 32.667 32.513 0.154 25702 7377 1 14 . 1 1 2 2 VAL H H 2 8.590 8.590 9.259 -0.669 25702 7378 1 14 . 1 1 3 3 THR N N 3 125.759 125.759 123.442 2.317 25702 7379 1 14 . 1 1 3 3 THR HA H 3 4.138 4.138 4.410 -0.272 25702 7380 1 14 . 1 1 3 3 THR C C 3 173.129 173.129 173.135 -0.006 25702 7381 1 14 . 1 1 3 3 THR CA C 3 62.804 62.804 62.523 0.281 25702 7382 1 14 . 1 1 3 3 THR CB C 3 69.547 69.547 69.957 -0.410 25702 7383 1 14 . 1 1 3 3 THR H H 3 7.778 7.778 8.502 -0.724 25702 7384 1 14 . 1 1 4 4 GLN N N 4 127.746 127.746 124.488 3.258 25702 7385 1 14 . 1 1 4 4 GLN HA H 4 4.739 4.739 5.173 -0.434 25702 7386 1 14 . 1 1 4 4 GLN C C 4 176.754 176.754 175.529 1.225 25702 7387 1 14 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.168 -0.733 25702 7388 1 14 . 1 1 4 4 GLN CB C 4 29.530 29.530 30.034 -0.504 25702 7389 1 14 . 1 1 4 4 GLN H H 4 8.975 8.975 8.509 0.466 25702 7390 1 14 . 1 1 5 5 PHE N N 5 126.242 126.242 125.006 1.236 25702 7391 1 14 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.870 -0.053 25702 7392 1 14 . 1 1 5 5 PHE C C 5 176.102 176.102 176.348 -0.246 25702 7393 1 14 . 1 1 5 5 PHE CA C 5 58.528 58.528 55.490 3.038 25702 7394 1 14 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.796 -0.276 25702 7395 1 14 . 1 1 5 5 PHE H H 5 8.422 8.422 8.625 -0.203 25702 7396 1 14 . 1 1 6 6 LYS N N 6 119.482 119.482 117.583 1.899 25702 7397 1 14 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.562 0.059 25702 7398 1 14 . 1 1 6 6 LYS C C 6 176.994 176.994 175.941 1.053 25702 7399 1 14 . 1 1 6 6 LYS CA C 6 56.015 56.015 55.963 0.052 25702 7400 1 14 . 1 1 6 6 LYS CB C 6 34.132 34.132 35.469 -1.337 25702 7401 1 14 . 1 1 6 6 LYS H H 6 9.822 9.822 9.798 0.024 25702 7402 1 14 . 1 1 7 7 THR N N 7 107.464 107.464 109.922 -2.458 25702 7403 1 14 . 1 1 7 7 THR HA H 7 4.597 4.597 4.668 -0.071 25702 7404 1 14 . 1 1 7 7 THR C C 7 173.921 173.921 174.419 -0.498 25702 7405 1 14 . 1 1 7 7 THR CA C 7 59.155 59.155 59.656 -0.501 25702 7406 1 14 . 1 1 7 7 THR CB C 7 72.660 72.660 72.609 0.051 25702 7407 1 14 . 1 1 7 7 THR H H 7 7.484 7.484 7.795 -0.311 25702 7408 1 14 . 1 1 8 8 ALA N N 8 123.987 123.987 124.144 -0.157 25702 7409 1 14 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.092 -0.383 25702 7410 1 14 . 1 1 8 8 ALA C C 8 179.409 179.409 179.200 0.209 25702 7411 1 14 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.734 0.267 25702 7412 1 14 . 1 1 8 8 ALA CB C 8 18.090 18.090 17.910 0.180 25702 7413 1 14 . 1 1 8 8 ALA H H 8 9.031 9.031 8.969 0.062 25702 7414 1 14 . 1 1 9 9 SER N N 9 112.387 112.387 114.439 -2.052 25702 7415 1 14 . 1 1 9 9 SER HA H 9 4.127 4.127 4.082 0.045 25702 7416 1 14 . 1 1 9 9 SER C C 9 177.070 177.070 176.796 0.274 25702 7417 1 14 . 1 1 9 9 SER CA C 9 61.109 61.109 62.051 -0.942 25702 7418 1 14 . 1 1 9 9 SER CB C 9 62.226 62.226 62.558 -0.332 25702 7419 1 14 . 1 1 9 9 SER H H 9 8.161 8.161 8.450 -0.289 25702 7420 1 14 . 1 1 10 10 GLU N N 10 121.941 121.941 122.108 -0.167 25702 7421 1 14 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.761 0.090 25702 7422 1 14 . 1 1 10 10 GLU C C 10 178.776 178.776 178.109 0.667 25702 7423 1 14 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.783 -0.100 25702 7424 1 14 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.018 1.986 25702 7425 1 14 . 1 1 10 10 GLU H H 10 7.522 7.522 7.311 0.211 25702 7426 1 14 . 1 1 11 11 PHE N N 11 120.541 120.541 119.640 0.901 25702 7427 1 14 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.260 -0.414 25702 7428 1 14 . 1 1 11 11 PHE C C 11 174.944 174.944 176.840 -1.896 25702 7429 1 14 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.913 -0.206 25702 7430 1 14 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.802 -1.064 25702 7431 1 14 . 1 1 11 11 PHE H H 11 6.624 6.624 7.125 -0.501 25702 7432 1 14 . 1 1 12 12 ASP N N 12 117.847 117.847 118.973 -1.126 25702 7433 1 14 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.125 -0.294 25702 7434 1 14 . 1 1 12 12 ASP C C 12 178.767 178.767 178.776 -0.009 25702 7435 1 14 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.813 -0.595 25702 7436 1 14 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.171 0.128 25702 7437 1 14 . 1 1 12 12 ASP H H 12 7.637 7.637 8.130 -0.493 25702 7438 1 14 . 1 1 13 13 SER N N 13 111.904 111.904 115.656 -3.752 25702 7439 1 14 . 1 1 13 13 SER HA H 13 4.034 4.034 4.126 -0.092 25702 7440 1 14 . 1 1 13 13 SER C C 13 176.341 176.341 175.924 0.417 25702 7441 1 14 . 1 1 13 13 SER CA C 13 60.857 60.857 61.037 -0.180 25702 7442 1 14 . 1 1 13 13 SER CB C 13 63.144 63.144 63.002 0.142 25702 7443 1 14 . 1 1 13 13 SER H H 13 7.539 7.539 8.289 -0.750 25702 7444 1 14 . 1 1 14 14 ALA N N 14 123.793 123.793 122.357 1.436 25702 7445 1 14 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.056 -0.029 25702 7446 1 14 . 1 1 14 14 ALA C C 14 180.358 180.358 179.660 0.698 25702 7447 1 14 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.069 0.771 25702 7448 1 14 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.835 -0.009 25702 7449 1 14 . 1 1 14 14 ALA H H 14 7.647 7.647 7.365 0.282 25702 7450 1 14 . 1 1 15 15 ILE N N 15 106.782 106.782 119.522 -12.740 25702 7451 1 14 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.657 0.063 25702 7452 1 14 . 1 1 15 15 ILE C C 15 176.012 176.012 177.695 -1.683 25702 7453 1 14 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.887 1.608 25702 7454 1 14 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.339 1.456 25702 7455 1 14 . 1 1 15 15 ILE H H 15 7.146 7.146 7.736 -0.590 25702 7456 1 14 . 1 1 16 16 ALA N N 16 122.248 122.248 119.483 2.765 25702 7457 1 14 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.284 -0.253 25702 7458 1 14 . 1 1 16 16 ALA C C 16 177.072 177.072 176.950 0.122 25702 7459 1 14 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.728 0.022 25702 7460 1 14 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.126 0.244 25702 7461 1 14 . 1 1 16 16 ALA H H 16 6.627 6.627 7.782 -1.155 25702 7462 1 14 . 1 1 17 17 GLN N N 17 115.254 115.254 118.158 -2.904 25702 7463 1 14 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.279 -0.060 25702 7464 1 14 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.251 0.647 25702 7465 1 14 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.507 4.457 25702 7466 1 14 . 1 1 17 17 GLN H H 17 7.136 7.136 7.355 -0.219 25702 7467 1 14 . 1 1 18 18 ASP N N 18 122.840 122.840 124.575 -1.735 25702 7468 1 14 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.747 -0.215 25702 7469 1 14 . 1 1 18 18 ASP C C 18 175.348 175.348 175.369 -0.021 25702 7470 1 14 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.065 -0.555 25702 7471 1 14 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.726 -0.676 25702 7472 1 14 . 1 1 18 18 ASP H H 18 8.644 8.644 8.600 0.044 25702 7473 1 14 . 1 1 19 19 LYS N N 19 118.503 118.503 115.072 3.431 25702 7474 1 14 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.430 -0.047 25702 7475 1 14 . 1 1 19 19 LYS C C 19 173.289 173.289 174.794 -1.505 25702 7476 1 14 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.253 0.468 25702 7477 1 14 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.530 -0.314 25702 7478 1 14 . 1 1 19 19 LYS H H 19 7.939 7.939 7.716 0.223 25702 7479 1 14 . 1 1 20 20 LEU N N 20 120.813 120.813 123.684 -2.871 25702 7480 1 14 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.788 -0.079 25702 7481 1 14 . 1 1 20 20 LEU C C 20 174.429 174.429 175.704 -1.275 25702 7482 1 14 . 1 1 20 20 LEU CA C 20 55.787 55.787 55.001 0.786 25702 7483 1 14 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.639 -0.078 25702 7484 1 14 . 1 1 20 20 LEU H H 20 8.625 8.625 8.696 -0.071 25702 7485 1 14 . 1 1 21 21 VAL N N 21 128.813 128.813 127.853 0.960 25702 7486 1 14 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.341 -0.076 25702 7487 1 14 . 1 1 21 21 VAL C C 21 174.618 174.618 175.031 -0.413 25702 7488 1 14 . 1 1 21 21 VAL CA C 21 61.583 61.583 60.501 1.082 25702 7489 1 14 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.143 2.434 25702 7490 1 14 . 1 1 21 21 VAL H H 21 9.251 9.251 9.253 -0.002 25702 7491 1 14 . 1 1 22 22 VAL N N 22 130.243 130.243 130.067 0.176 25702 7492 1 14 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.242 0.021 25702 7493 1 14 . 1 1 22 22 VAL C C 22 174.802 174.802 174.632 0.170 25702 7494 1 14 . 1 1 22 22 VAL CA C 22 61.642 61.642 62.093 -0.451 25702 7495 1 14 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.544 1.280 25702 7496 1 14 . 1 1 22 22 VAL H H 22 8.969 8.969 9.204 -0.235 25702 7497 1 14 . 1 1 23 23 VAL N N 23 125.526 125.526 129.149 -3.623 25702 7498 1 14 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.912 -0.260 25702 7499 1 14 . 1 1 23 23 VAL C C 23 174.086 174.086 174.867 -0.781 25702 7500 1 14 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.962 0.821 25702 7501 1 14 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.406 1.018 25702 7502 1 14 . 1 1 23 23 VAL H H 23 9.555 9.555 8.689 0.866 25702 7503 1 14 . 1 1 24 24 ALA N N 24 130.468 130.468 130.918 -0.450 25702 7504 1 14 . 1 1 24 24 ALA HA H 24 5.003 5.003 5.005 -0.002 25702 7505 1 14 . 1 1 24 24 ALA C C 24 175.093 175.093 175.801 -0.708 25702 7506 1 14 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.699 0.410 25702 7507 1 14 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.960 -0.417 25702 7508 1 14 . 1 1 24 24 ALA H H 24 9.004 9.004 9.454 -0.450 25702 7509 1 14 . 1 1 25 25 PHE N N 25 124.289 124.289 126.364 -2.075 25702 7510 1 14 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.496 -0.477 25702 7511 1 14 . 1 1 25 25 PHE C C 25 174.794 174.794 174.620 0.174 25702 7512 1 14 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.521 2.099 25702 7513 1 14 . 1 1 25 25 PHE CB C 25 39.765 39.765 40.802 -1.037 25702 7514 1 14 . 1 1 25 25 PHE H H 25 9.455 9.455 9.195 0.260 25702 7515 1 14 . 1 1 26 26 TYR N N 26 120.967 120.967 122.114 -1.147 25702 7516 1 14 . 1 1 26 26 TYR HA H 26 5.351 5.351 5.061 0.290 25702 7517 1 14 . 1 1 26 26 TYR C C 26 171.352 171.352 173.103 -1.751 25702 7518 1 14 . 1 1 26 26 TYR CA C 26 54.831 54.831 54.898 -0.066 25702 7519 1 14 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.546 2.388 25702 7520 1 14 . 1 1 26 26 TYR H H 26 8.908 8.908 8.412 0.496 25702 7521 1 14 . 1 1 27 27 ALA N N 27 119.133 119.133 121.114 -1.981 25702 7522 1 14 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.737 -0.178 25702 7523 1 14 . 1 1 27 27 ALA C C 27 179.092 179.092 177.678 1.414 25702 7524 1 14 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.161 -0.007 25702 7525 1 14 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.264 1.686 25702 7526 1 14 . 1 1 27 27 ALA H H 27 6.962 6.962 8.402 -1.440 25702 7527 1 14 . 1 1 28 28 THR N N 28 116.784 116.784 118.218 -1.434 25702 7528 1 14 . 1 1 28 28 THR HA H 28 3.867 3.867 4.062 -0.195 25702 7529 1 14 . 1 1 28 28 THR C C 28 174.957 174.957 175.034 -0.077 25702 7530 1 14 . 1 1 28 28 THR CA C 28 64.820 64.820 64.658 0.162 25702 7531 1 14 . 1 1 28 28 THR CB C 28 69.197 69.197 68.894 0.303 25702 7532 1 14 . 1 1 28 28 THR H H 28 10.053 10.053 8.757 1.296 25702 7533 1 14 . 1 1 29 29 TRP N N 29 114.763 114.763 117.334 -2.571 25702 7534 1 14 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.740 -0.218 25702 7535 1 14 . 1 1 29 29 TRP C C 29 175.478 175.478 175.729 -0.251 25702 7536 1 14 . 1 1 29 29 TRP CA C 29 53.505 53.505 56.038 -2.533 25702 7537 1 14 . 1 1 29 29 TRP CB C 29 29.344 29.344 29.003 0.341 25702 7538 1 14 . 1 1 29 29 TRP H H 29 6.495 6.495 7.309 -0.814 25702 7539 1 14 . 1 1 30 30 CYS N N 30 122.729 122.729 120.758 1.971 25702 7540 1 14 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.281 0.210 25702 7541 1 14 . 1 1 30 30 CYS CA C 30 58.502 58.502 59.782 -1.280 25702 7542 1 14 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.085 -1.437 25702 7543 1 14 . 1 1 30 30 CYS H H 30 6.484 6.484 7.282 -0.798 25702 7544 1 14 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.151 -0.191 25702 7545 1 14 . 1 1 33 33 CYS C C 33 176.605 176.605 175.959 0.646 25702 7546 1 14 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.488 2.075 25702 7547 1 14 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.029 1.198 25702 7548 1 14 . 1 1 34 34 LYS N N 34 120.638 120.638 120.208 0.430 25702 7549 1 14 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.914 0.008 25702 7550 1 14 . 1 1 34 34 LYS C C 34 178.623 178.623 177.421 1.202 25702 7551 1 14 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.288 0.834 25702 7552 1 14 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.938 0.249 25702 7553 1 14 . 1 1 34 34 LYS H H 34 7.828 7.828 7.625 0.203 25702 7554 1 14 . 1 1 35 35 MET N N 35 115.754 115.754 118.087 -2.333 25702 7555 1 14 . 1 1 35 35 MET HA H 35 4.230 4.230 4.266 -0.036 25702 7556 1 14 . 1 1 35 35 MET C C 35 177.927 177.927 177.748 0.179 25702 7557 1 14 . 1 1 35 35 MET CA C 35 56.931 56.931 56.517 0.414 25702 7558 1 14 . 1 1 35 35 MET CB C 35 32.038 32.038 32.648 -0.610 25702 7559 1 14 . 1 1 35 35 MET H H 35 7.612 7.612 7.475 0.137 25702 7560 1 14 . 1 1 36 36 ILE N N 36 114.905 114.905 118.821 -3.916 25702 7561 1 14 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.852 0.400 25702 7562 1 14 . 1 1 36 36 ILE C C 36 176.681 176.681 177.319 -0.638 25702 7563 1 14 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.258 -2.115 25702 7564 1 14 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.042 1.843 25702 7565 1 14 . 1 1 36 36 ILE H H 36 7.399 7.399 7.483 -0.084 25702 7566 1 14 . 1 1 37 37 ALA N N 37 125.154 125.154 123.727 1.427 25702 7567 1 14 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.975 0.104 25702 7568 1 14 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.576 0.495 25702 7569 1 14 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.147 -0.689 25702 7570 1 14 . 1 1 37 37 ALA H H 37 7.587 7.587 7.422 0.165 25702 7571 1 14 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.258 -0.019 25702 7572 1 14 . 1 1 38 38 PRO C C 38 179.456 179.456 177.774 1.682 25702 7573 1 14 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.712 0.475 25702 7574 1 14 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.594 -0.831 25702 7575 1 14 . 1 1 39 39 MET N N 39 117.231 117.231 118.558 -1.327 25702 7576 1 14 . 1 1 39 39 MET HA H 39 3.854 3.854 3.921 -0.067 25702 7577 1 14 . 1 1 39 39 MET C C 39 177.388 177.388 177.181 0.207 25702 7578 1 14 . 1 1 39 39 MET CA C 39 57.916 57.916 58.894 -0.978 25702 7579 1 14 . 1 1 39 39 MET CB C 39 32.238 32.238 32.492 -0.254 25702 7580 1 14 . 1 1 39 39 MET H H 39 7.051 7.051 7.605 -0.554 25702 7581 1 14 . 1 1 40 40 ILE N N 40 117.419 117.419 119.160 -1.741 25702 7582 1 14 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.092 0.583 25702 7583 1 14 . 1 1 40 40 ILE C C 40 177.699 177.699 177.271 0.428 25702 7584 1 14 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.491 -0.822 25702 7585 1 14 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.114 -2.343 25702 7586 1 14 . 1 1 40 40 ILE H H 40 7.825 7.825 7.471 0.354 25702 7587 1 14 . 1 1 41 41 GLU N N 41 119.014 119.014 119.666 -0.652 25702 7588 1 14 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.910 -0.324 25702 7589 1 14 . 1 1 41 41 GLU C C 41 180.065 180.065 178.252 1.813 25702 7590 1 14 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.115 0.291 25702 7591 1 14 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.280 -0.806 25702 7592 1 14 . 1 1 41 41 GLU H H 41 7.475 7.475 7.587 -0.112 25702 7593 1 14 . 1 1 42 42 LYS N N 42 120.988 120.988 119.817 1.171 25702 7594 1 14 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.997 -0.080 25702 7595 1 14 . 1 1 42 42 LYS C C 42 179.895 179.895 178.746 1.149 25702 7596 1 14 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.059 0.974 25702 7597 1 14 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.596 -0.751 25702 7598 1 14 . 1 1 42 42 LYS H H 42 7.402 7.402 7.323 0.079 25702 7599 1 14 . 1 1 43 43 PHE N N 43 118.946 118.946 118.568 0.378 25702 7600 1 14 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.802 -0.638 25702 7601 1 14 . 1 1 43 43 PHE C C 43 177.806 177.806 177.398 0.408 25702 7602 1 14 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.973 0.049 25702 7603 1 14 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.032 -0.612 25702 7604 1 14 . 1 1 43 43 PHE H H 43 8.270 8.270 7.301 0.969 25702 7605 1 14 . 1 1 44 44 SER N N 44 116.035 116.035 112.374 3.661 25702 7606 1 14 . 1 1 44 44 SER HA H 44 2.873 2.873 4.486 -1.613 25702 7607 1 14 . 1 1 44 44 SER C C 44 175.522 175.522 176.115 -0.593 25702 7608 1 14 . 1 1 44 44 SER CA C 44 60.173 60.173 60.180 -0.007 25702 7609 1 14 . 1 1 44 44 SER CB C 44 61.911 61.911 63.082 -1.171 25702 7610 1 14 . 1 1 44 44 SER H H 44 7.763 7.763 7.700 0.062 25702 7611 1 14 . 1 1 45 45 GLU N N 45 120.563 120.563 122.008 -1.445 25702 7612 1 14 . 1 1 45 45 GLU HA H 45 4.059 4.059 4.004 0.055 25702 7613 1 14 . 1 1 45 45 GLU C C 45 177.798 177.798 177.649 0.149 25702 7614 1 14 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.807 -1.504 25702 7615 1 14 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.659 -0.022 25702 7616 1 14 . 1 1 45 45 GLU H H 45 6.888 6.888 7.689 -0.801 25702 7617 1 14 . 1 1 46 46 GLN N N 46 118.400 118.400 116.991 1.409 25702 7618 1 14 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.125 -0.198 25702 7619 1 14 . 1 1 46 46 GLN C C 46 175.422 175.422 176.568 -1.146 25702 7620 1 14 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.368 -0.335 25702 7621 1 14 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.536 -0.846 25702 7622 1 14 . 1 1 46 46 GLN H H 46 7.451 7.451 7.380 0.071 25702 7623 1 14 . 1 1 47 47 TYR N N 47 115.979 115.979 113.808 2.171 25702 7624 1 14 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.175 -0.192 25702 7625 1 14 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.810 2.274 25702 7626 1 14 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.521 -0.447 25702 7627 1 14 . 1 1 47 47 TYR H H 47 7.433 7.433 7.721 -0.288 25702 7628 1 14 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.643 0.068 25702 7629 1 14 . 1 1 48 48 PRO C C 48 177.453 177.453 177.129 0.324 25702 7630 1 14 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.895 0.399 25702 7631 1 14 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.127 -0.256 25702 7632 1 14 . 1 1 49 49 GLN N N 49 119.035 119.035 117.020 2.015 25702 7633 1 14 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.341 0.019 25702 7634 1 14 . 1 1 49 49 GLN C C 49 174.990 174.990 174.893 0.097 25702 7635 1 14 . 1 1 49 49 GLN CA C 49 56.460 56.460 55.607 0.853 25702 7636 1 14 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.826 -0.047 25702 7637 1 14 . 1 1 49 49 GLN H H 49 9.617 9.617 8.475 1.142 25702 7638 1 14 . 1 1 50 50 ALA N N 50 127.008 127.008 122.678 4.330 25702 7639 1 14 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.405 0.642 25702 7640 1 14 . 1 1 50 50 ALA C C 50 175.173 175.173 176.524 -1.351 25702 7641 1 14 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.870 -0.821 25702 7642 1 14 . 1 1 50 50 ALA CB C 50 22.166 22.166 20.884 1.282 25702 7643 1 14 . 1 1 50 50 ALA H H 50 8.170 8.170 7.463 0.707 25702 7644 1 14 . 1 1 51 51 ASP N N 51 120.039 120.039 119.599 0.440 25702 7645 1 14 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.342 0.763 25702 7646 1 14 . 1 1 51 51 ASP C C 51 174.707 174.707 174.876 -0.169 25702 7647 1 14 . 1 1 51 51 ASP CA C 51 53.004 53.004 54.199 -1.195 25702 7648 1 14 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.052 1.221 25702 7649 1 14 . 1 1 51 51 ASP H H 51 8.411 8.411 8.580 -0.169 25702 7650 1 14 . 1 1 52 52 PHE N N 52 120.670 120.670 118.625 2.045 25702 7651 1 14 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.276 -0.097 25702 7652 1 14 . 1 1 52 52 PHE C C 52 174.633 174.633 173.673 0.960 25702 7653 1 14 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.229 1.483 25702 7654 1 14 . 1 1 52 52 PHE CB C 52 41.874 41.874 40.292 1.581 25702 7655 1 14 . 1 1 52 52 PHE H H 52 8.943 8.943 7.092 1.851 25702 7656 1 14 . 1 1 53 53 TYR N N 53 120.949 120.949 122.399 -1.450 25702 7657 1 14 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.550 -0.073 25702 7658 1 14 . 1 1 53 53 TYR C C 53 174.507 174.507 174.260 0.247 25702 7659 1 14 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.627 -0.914 25702 7660 1 14 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.802 3.040 25702 7661 1 14 . 1 1 53 53 TYR H H 53 9.336 9.336 9.174 0.162 25702 7662 1 14 . 1 1 54 54 LYS N N 54 115.771 115.771 119.593 -3.822 25702 7663 1 14 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.391 0.108 25702 7664 1 14 . 1 1 54 54 LYS C C 54 173.200 173.200 173.652 -0.452 25702 7665 1 14 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.026 -1.531 25702 7666 1 14 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.500 -1.544 25702 7667 1 14 . 1 1 54 54 LYS H H 54 8.451 8.451 9.095 -0.644 25702 7668 1 14 . 1 1 55 55 LEU N N 55 123.037 123.037 121.334 1.703 25702 7669 1 14 . 1 1 55 55 LEU HA H 55 4.471 4.471 5.078 -0.607 25702 7670 1 14 . 1 1 55 55 LEU C C 55 172.053 172.053 173.142 -1.089 25702 7671 1 14 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.660 1.726 25702 7672 1 14 . 1 1 55 55 LEU CB C 55 45.813 45.813 45.872 -0.059 25702 7673 1 14 . 1 1 55 55 LEU H H 55 8.783 8.783 8.707 0.076 25702 7674 1 14 . 1 1 56 56 ASP N N 56 126.250 126.250 121.800 4.450 25702 7675 1 14 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.112 -0.955 25702 7676 1 14 . 1 1 56 56 ASP C C 56 178.219 178.219 177.347 0.872 25702 7677 1 14 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.214 0.028 25702 7678 1 14 . 1 1 56 56 ASP CB C 56 40.748 40.748 42.545 -1.797 25702 7679 1 14 . 1 1 56 56 ASP H H 56 8.580 8.580 8.084 0.496 25702 7680 1 14 . 1 1 57 57 VAL N N 57 123.015 123.015 117.484 5.531 25702 7681 1 14 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.096 -0.680 25702 7682 1 14 . 1 1 57 57 VAL C C 57 175.672 175.672 175.772 -0.100 25702 7683 1 14 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.023 0.673 25702 7684 1 14 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.870 -0.867 25702 7685 1 14 . 1 1 57 57 VAL H H 57 8.767 8.767 8.557 0.210 25702 7686 1 14 . 1 1 58 58 ASP N N 58 118.536 118.536 118.062 0.474 25702 7687 1 14 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.564 0.131 25702 7688 1 14 . 1 1 58 58 ASP C C 58 177.541 177.541 177.955 -0.414 25702 7689 1 14 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.102 -0.943 25702 7690 1 14 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.149 -0.679 25702 7691 1 14 . 1 1 58 58 ASP H H 58 8.653 8.653 8.192 0.461 25702 7692 1 14 . 1 1 59 59 GLU N N 59 119.610 119.610 118.105 1.505 25702 7693 1 14 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.325 0.028 25702 7694 1 14 . 1 1 59 59 GLU C C 59 177.106 177.106 177.512 -0.406 25702 7695 1 14 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.783 -0.414 25702 7696 1 14 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.890 0.810 25702 7697 1 14 . 1 1 59 59 GLU H H 59 7.596 7.596 8.725 -1.129 25702 7698 1 14 . 1 1 60 60 LEU N N 60 121.513 121.513 120.887 0.626 25702 7699 1 14 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.755 0.157 25702 7700 1 14 . 1 1 60 60 LEU C C 60 177.050 177.050 176.826 0.224 25702 7701 1 14 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.992 -0.628 25702 7702 1 14 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.700 1.922 25702 7703 1 14 . 1 1 60 60 LEU H H 60 7.689 7.689 8.273 -0.584 25702 7704 1 14 . 1 1 61 61 GLY N N 61 111.170 111.170 109.921 1.249 25702 7705 1 14 . 1 1 61 61 GLY C C 61 176.313 176.313 175.430 0.883 25702 7706 1 14 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.019 1.204 25702 7707 1 14 . 1 1 61 61 GLY H H 61 8.218 8.218 8.579 -0.361 25702 7708 1 14 . 1 1 62 62 ASP N N 62 119.711 119.711 119.689 0.022 25702 7709 1 14 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.416 -0.098 25702 7710 1 14 . 1 1 62 62 ASP C C 62 178.935 178.935 177.842 1.093 25702 7711 1 14 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.754 -0.075 25702 7712 1 14 . 1 1 62 62 ASP CB C 62 39.263 39.263 39.942 -0.679 25702 7713 1 14 . 1 1 62 62 ASP H H 62 9.141 9.141 8.601 0.540 25702 7714 1 14 . 1 1 63 63 VAL N N 63 120.511 120.511 120.953 -0.442 25702 7715 1 14 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.738 -0.415 25702 7716 1 14 . 1 1 63 63 VAL C C 63 179.266 179.266 177.806 1.460 25702 7717 1 14 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.387 0.007 25702 7718 1 14 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.149 0.142 25702 7719 1 14 . 1 1 63 63 VAL H H 63 7.275 7.275 7.664 -0.389 25702 7720 1 14 . 1 1 64 64 ALA N N 64 122.711 122.711 121.326 1.385 25702 7721 1 14 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.983 -0.193 25702 7722 1 14 . 1 1 64 64 ALA C C 64 178.540 178.540 179.753 -1.213 25702 7723 1 14 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.367 0.518 25702 7724 1 14 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.429 -0.612 25702 7725 1 14 . 1 1 64 64 ALA H H 64 7.264 7.264 7.752 -0.488 25702 7726 1 14 . 1 1 65 65 GLN N N 65 117.988 117.988 116.199 1.789 25702 7727 1 14 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.026 0.031 25702 7728 1 14 . 1 1 65 65 GLN C C 65 180.544 180.544 178.132 2.412 25702 7729 1 14 . 1 1 65 65 GLN CA C 65 59.009 59.009 58.102 0.907 25702 7730 1 14 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.725 -0.424 25702 7731 1 14 . 1 1 65 65 GLN H H 65 8.344 8.344 7.965 0.379 25702 7732 1 14 . 1 1 66 66 LYS N N 66 120.050 120.050 118.588 1.462 25702 7733 1 14 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.014 0.040 25702 7734 1 14 . 1 1 66 66 LYS C C 66 176.954 176.954 176.765 0.189 25702 7735 1 14 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.260 0.558 25702 7736 1 14 . 1 1 66 66 LYS CB C 66 32.179 32.179 31.909 0.270 25702 7737 1 14 . 1 1 66 66 LYS H H 66 7.971 7.971 7.469 0.502 25702 7738 1 14 . 1 1 67 67 ASN N N 67 114.553 114.553 115.551 -0.998 25702 7739 1 14 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.391 0.385 25702 7740 1 14 . 1 1 67 67 ASN C C 67 171.614 171.614 174.772 -3.158 25702 7741 1 14 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.799 1.281 25702 7742 1 14 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.531 1.578 25702 7743 1 14 . 1 1 67 67 ASN H H 67 7.064 7.064 7.334 -0.270 25702 7744 1 14 . 1 1 68 68 GLU N N 68 114.491 114.491 116.173 -1.682 25702 7745 1 14 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.879 -0.138 25702 7746 1 14 . 1 1 68 68 GLU C C 68 175.660 175.660 174.447 1.213 25702 7747 1 14 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.520 -0.514 25702 7748 1 14 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.469 -1.497 25702 7749 1 14 . 1 1 68 68 GLU H H 68 7.755 7.755 7.839 -0.084 25702 7750 1 14 . 1 1 69 69 VAL N N 69 120.375 120.375 119.070 1.305 25702 7751 1 14 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.251 -0.347 25702 7752 1 14 . 1 1 69 69 VAL C C 69 175.415 175.415 174.850 0.565 25702 7753 1 14 . 1 1 69 69 VAL CA C 69 62.870 62.870 62.005 0.864 25702 7754 1 14 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.671 -0.757 25702 7755 1 14 . 1 1 69 69 VAL H H 69 7.787 7.787 7.857 -0.070 25702 7756 1 14 . 1 1 70 70 SER N N 70 121.558 121.558 122.842 -1.284 25702 7757 1 14 . 1 1 70 70 SER HA H 70 4.488 4.488 4.588 -0.100 25702 7758 1 14 . 1 1 70 70 SER C C 70 172.616 172.616 174.350 -1.734 25702 7759 1 14 . 1 1 70 70 SER CA C 70 57.728 57.728 58.345 -0.617 25702 7760 1 14 . 1 1 70 70 SER CB C 70 64.713 64.713 64.284 0.429 25702 7761 1 14 . 1 1 70 70 SER H H 70 8.565 8.565 8.263 0.302 25702 7762 1 14 . 1 1 71 71 ALA N N 71 125.848 125.848 125.700 0.148 25702 7763 1 14 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.648 -0.069 25702 7764 1 14 . 1 1 71 71 ALA C C 71 175.531 175.531 175.658 -0.127 25702 7765 1 14 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.631 -0.139 25702 7766 1 14 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.912 0.450 25702 7767 1 14 . 1 1 71 71 ALA H H 71 7.861 7.861 8.120 -0.259 25702 7768 1 14 . 1 1 72 72 MET N N 72 118.991 118.991 120.525 -1.534 25702 7769 1 14 . 1 1 72 72 MET HA H 72 4.879 4.879 5.027 -0.148 25702 7770 1 14 . 1 1 72 72 MET CA C 72 51.907 51.907 52.255 -0.348 25702 7771 1 14 . 1 1 72 72 MET CB C 72 35.595 35.595 35.624 -0.029 25702 7772 1 14 . 1 1 72 72 MET H H 72 8.553 8.553 8.419 0.134 25702 7773 1 14 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.836 0.170 25702 7774 1 14 . 1 1 73 73 PRO C C 73 176.015 176.015 176.210 -0.195 25702 7775 1 14 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.196 0.833 25702 7776 1 14 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.220 1.145 25702 7777 1 14 . 1 1 74 74 THR N N 74 114.577 114.577 116.908 -2.331 25702 7778 1 14 . 1 1 74 74 THR HA H 74 5.013 5.013 5.044 -0.031 25702 7779 1 14 . 1 1 74 74 THR C C 74 171.538 171.538 172.996 -1.458 25702 7780 1 14 . 1 1 74 74 THR CA C 74 63.556 63.556 61.822 1.734 25702 7781 1 14 . 1 1 74 74 THR CB C 74 73.238 73.238 72.798 0.440 25702 7782 1 14 . 1 1 74 74 THR H H 74 7.772 7.772 9.139 -1.367 25702 7783 1 14 . 1 1 75 75 LEU N N 75 131.086 131.086 125.841 5.245 25702 7784 1 14 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.472 0.014 25702 7785 1 14 . 1 1 75 75 LEU C C 75 174.827 174.827 175.298 -0.471 25702 7786 1 14 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.183 -0.861 25702 7787 1 14 . 1 1 75 75 LEU CB C 75 44.149 44.149 44.324 -0.175 25702 7788 1 14 . 1 1 75 75 LEU H H 75 9.517 9.517 9.414 0.103 25702 7789 1 14 . 1 1 76 76 LEU N N 76 123.573 123.573 124.782 -1.209 25702 7790 1 14 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.837 0.066 25702 7791 1 14 . 1 1 76 76 LEU C C 76 174.229 174.229 175.212 -0.983 25702 7792 1 14 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.903 -0.416 25702 7793 1 14 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.167 0.903 25702 7794 1 14 . 1 1 76 76 LEU H H 76 9.214 9.214 9.062 0.152 25702 7795 1 14 . 1 1 77 77 LEU N N 77 123.032 123.032 125.591 -2.559 25702 7796 1 14 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.419 -0.171 25702 7797 1 14 . 1 1 77 77 LEU C C 77 174.961 174.961 175.797 -0.836 25702 7798 1 14 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.976 0.753 25702 7799 1 14 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.664 0.027 25702 7800 1 14 . 1 1 77 77 LEU H H 77 8.189 8.189 8.759 -0.570 25702 7801 1 14 . 1 1 78 78 PHE N N 78 121.929 121.929 123.494 -1.565 25702 7802 1 14 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.856 0.541 25702 7803 1 14 . 1 1 78 78 PHE C C 78 174.427 174.427 174.287 0.140 25702 7804 1 14 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.886 -0.505 25702 7805 1 14 . 1 1 78 78 PHE CB C 78 44.318 44.318 43.997 0.321 25702 7806 1 14 . 1 1 78 78 PHE H H 78 9.748 9.748 9.089 0.659 25702 7807 1 14 . 1 1 79 79 LYS N N 79 117.221 117.221 121.101 -3.880 25702 7808 1 14 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.155 -0.342 25702 7809 1 14 . 1 1 79 79 LYS C C 79 177.709 177.709 175.981 1.728 25702 7810 1 14 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.549 1.873 25702 7811 1 14 . 1 1 79 79 LYS CB C 79 36.270 36.270 34.901 1.369 25702 7812 1 14 . 1 1 79 79 LYS H H 79 8.741 8.741 9.150 -0.409 25702 7813 1 14 . 1 1 80 80 ASN N N 80 125.563 125.563 123.433 2.130 25702 7814 1 14 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.423 -0.118 25702 7815 1 14 . 1 1 80 80 ASN C C 80 175.395 175.395 174.883 0.512 25702 7816 1 14 . 1 1 80 80 ASN CA C 80 54.469 54.469 54.040 0.429 25702 7817 1 14 . 1 1 80 80 ASN CB C 80 37.671 37.671 35.873 1.798 25702 7818 1 14 . 1 1 80 80 ASN H H 80 8.890 8.890 8.986 -0.096 25702 7819 1 14 . 1 1 81 81 GLY N N 81 102.976 102.976 102.696 0.280 25702 7820 1 14 . 1 1 81 81 GLY C C 81 173.223 173.223 173.789 -0.566 25702 7821 1 14 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.774 -0.129 25702 7822 1 14 . 1 1 81 81 GLY H H 81 8.640 8.640 8.774 -0.134 25702 7823 1 14 . 1 1 82 82 LYS N N 82 119.280 119.280 119.079 0.201 25702 7824 1 14 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.657 0.066 25702 7825 1 14 . 1 1 82 82 LYS C C 82 174.897 174.897 175.179 -0.282 25702 7826 1 14 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.130 0.225 25702 7827 1 14 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.796 -0.469 25702 7828 1 14 . 1 1 82 82 LYS H H 82 7.583 7.583 7.359 0.224 25702 7829 1 14 . 1 1 83 83 GLU N N 83 125.460 125.460 120.189 5.271 25702 7830 1 14 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.613 0.246 25702 7831 1 14 . 1 1 83 83 GLU C C 83 177.249 177.249 177.202 0.047 25702 7832 1 14 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.269 -0.310 25702 7833 1 14 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.245 0.267 25702 7834 1 14 . 1 1 83 83 GLU H H 83 8.818 8.818 8.638 0.180 25702 7835 1 14 . 1 1 84 84 VAL N N 84 121.989 121.989 114.787 7.202 25702 7836 1 14 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.308 0.114 25702 7837 1 14 . 1 1 84 84 VAL C C 84 175.625 175.625 174.441 1.184 25702 7838 1 14 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.795 -0.712 25702 7839 1 14 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.163 -1.072 25702 7840 1 14 . 1 1 84 84 VAL H H 84 9.281 9.281 8.211 1.070 25702 7841 1 14 . 1 1 85 85 ALA N N 85 121.284 121.284 121.958 -0.674 25702 7842 1 14 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.501 -0.102 25702 7843 1 14 . 1 1 85 85 ALA C C 85 173.805 173.805 174.128 -0.323 25702 7844 1 14 . 1 1 85 85 ALA CA C 85 52.656 52.656 51.879 0.777 25702 7845 1 14 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.782 0.205 25702 7846 1 14 . 1 1 85 85 ALA H H 85 7.564 7.564 7.608 -0.044 25702 7847 1 14 . 1 1 86 86 LYS N N 86 119.558 119.558 122.233 -2.675 25702 7848 1 14 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.043 -0.097 25702 7849 1 14 . 1 1 86 86 LYS C C 86 174.999 174.999 174.788 0.211 25702 7850 1 14 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.733 -0.394 25702 7851 1 14 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.766 -0.161 25702 7852 1 14 . 1 1 86 86 LYS H H 86 8.000 8.000 8.323 -0.323 25702 7853 1 14 . 1 1 87 87 VAL N N 87 126.118 126.118 125.997 0.121 25702 7854 1 14 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.534 0.169 25702 7855 1 14 . 1 1 87 87 VAL C C 87 174.516 174.516 175.017 -0.501 25702 7856 1 14 . 1 1 87 87 VAL CA C 87 61.379 61.379 60.524 0.855 25702 7857 1 14 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.407 -1.220 25702 7858 1 14 . 1 1 87 87 VAL H H 87 9.198 9.198 9.277 -0.079 25702 7859 1 14 . 1 1 88 88 VAL N N 88 128.549 128.549 119.399 9.150 25702 7860 1 14 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.685 -0.231 25702 7861 1 14 . 1 1 88 88 VAL C C 88 176.142 176.142 175.448 0.694 25702 7862 1 14 . 1 1 88 88 VAL CA C 88 61.982 61.982 60.965 1.017 25702 7863 1 14 . 1 1 88 88 VAL CB C 88 32.641 32.641 31.822 0.819 25702 7864 1 14 . 1 1 88 88 VAL H H 88 9.031 9.031 8.693 0.338 25702 7865 1 14 . 1 1 89 89 GLY N N 89 114.516 114.516 108.929 5.587 25702 7866 1 14 . 1 1 89 89 GLY C C 89 173.063 173.063 172.949 0.114 25702 7867 1 14 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.631 -2.125 25702 7868 1 14 . 1 1 89 89 GLY H H 89 8.379 8.379 7.819 0.560 25702 7869 1 14 . 1 1 90 90 ALA N N 90 122.292 122.292 124.609 -2.317 25702 7870 1 14 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.219 -0.024 25702 7871 1 14 . 1 1 90 90 ALA C C 90 174.897 174.897 177.008 -2.111 25702 7872 1 14 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.842 -2.403 25702 7873 1 14 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.481 -0.600 25702 7874 1 14 . 1 1 90 90 ALA H H 90 8.592 8.592 8.478 0.114 25702 7875 1 14 . 1 1 91 91 ASN N N 91 120.220 120.220 123.965 -3.745 25702 7876 1 14 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.059 0.052 25702 7877 1 14 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.578 0.434 25702 7878 1 14 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.497 -0.519 25702 7879 1 14 . 1 1 91 91 ASN H H 91 7.386 7.386 8.401 -1.015 25702 7880 1 14 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.251 -0.223 25702 7881 1 14 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.662 -4.565 25702 7882 1 14 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.327 -0.232 25702 7883 1 14 . 1 1 93 93 ALA C C 93 180.205 180.205 179.572 0.633 25702 7884 1 14 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.690 0.476 25702 7885 1 14 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.126 -0.145 25702 7886 1 14 . 1 1 94 94 ALA N N 94 120.499 120.499 121.758 -1.259 25702 7887 1 14 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.177 -0.116 25702 7888 1 14 . 1 1 94 94 ALA C C 94 180.917 180.917 179.735 1.182 25702 7889 1 14 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.910 -0.651 25702 7890 1 14 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.355 0.443 25702 7891 1 14 . 1 1 94 94 ALA H H 94 7.223 7.223 8.429 -1.206 25702 7892 1 14 . 1 1 95 95 ILE N N 95 119.397 119.397 117.181 2.216 25702 7893 1 14 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.875 -0.523 25702 7894 1 14 . 1 1 95 95 ILE C C 95 176.217 176.217 177.293 -1.076 25702 7895 1 14 . 1 1 95 95 ILE CA C 95 65.953 65.953 61.971 3.982 25702 7896 1 14 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.614 1.766 25702 7897 1 14 . 1 1 95 95 ILE H H 95 7.772 7.772 8.445 -0.673 25702 7898 1 14 . 1 1 96 96 LYS N N 96 118.919 118.919 122.220 -3.301 25702 7899 1 14 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.843 -0.826 25702 7900 1 14 . 1 1 96 96 LYS C C 96 177.824 177.824 179.116 -1.292 25702 7901 1 14 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.487 1.139 25702 7902 1 14 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.041 0.124 25702 7903 1 14 . 1 1 96 96 LYS H H 96 8.112 8.112 7.432 0.680 25702 7904 1 14 . 1 1 97 97 GLN N N 97 115.480 115.480 118.360 -2.880 25702 7905 1 14 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.124 -0.272 25702 7906 1 14 . 1 1 97 97 GLN C C 97 178.014 178.014 177.964 0.050 25702 7907 1 14 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.215 0.367 25702 7908 1 14 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.094 0.250 25702 7909 1 14 . 1 1 97 97 GLN H H 97 7.686 7.686 8.332 -0.646 25702 7910 1 14 . 1 1 98 98 ALA N N 98 120.911 120.911 123.131 -2.220 25702 7911 1 14 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.068 -0.138 25702 7912 1 14 . 1 1 98 98 ALA C C 98 179.544 179.544 179.420 0.124 25702 7913 1 14 . 1 1 98 98 ALA CA C 98 54.749 54.749 54.740 0.009 25702 7914 1 14 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.043 -0.128 25702 7915 1 14 . 1 1 98 98 ALA H H 98 7.446 7.446 7.176 0.270 25702 7916 1 14 . 1 1 99 99 ILE N N 99 117.780 117.780 119.186 -1.406 25702 7917 1 14 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.444 -0.397 25702 7918 1 14 . 1 1 99 99 ILE C C 99 177.087 177.087 177.944 -0.857 25702 7919 1 14 . 1 1 99 99 ILE CA C 99 65.459 65.459 65.402 0.057 25702 7920 1 14 . 1 1 99 99 ILE CB C 99 38.132 38.132 37.485 0.647 25702 7921 1 14 . 1 1 99 99 ILE H H 99 7.735 7.735 8.384 -0.649 25702 7922 1 14 . 1 1 100 100 ALA N N 100 119.516 119.516 121.059 -1.543 25702 7923 1 14 . 1 1 100 100 ALA C C 100 180.431 180.431 178.660 1.771 25702 7924 1 14 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.663 0.582 25702 7925 1 14 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.027 0.266 25702 7926 1 14 . 1 1 100 100 ALA H H 100 8.214 8.214 7.685 0.529 25702 7927 1 14 . 1 1 101 101 ALA N N 101 115.674 115.674 121.128 -5.454 25702 7928 1 14 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.077 -0.007 25702 7929 1 14 . 1 1 101 101 ALA C C 101 178.213 178.213 179.217 -1.004 25702 7930 1 14 . 1 1 101 101 ALA CA C 101 53.884 53.884 54.151 -0.267 25702 7931 1 14 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.183 -0.140 25702 7932 1 14 . 1 1 101 101 ALA H H 101 7.619 7.619 7.584 0.035 25702 7933 1 14 . 1 1 102 102 ASN N N 102 115.986 115.986 114.421 1.565 25702 7934 1 14 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.583 0.201 25702 7935 1 14 . 1 1 102 102 ASN C C 102 172.740 172.740 175.444 -2.704 25702 7936 1 14 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.365 -0.065 25702 7937 1 14 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.511 3.378 25702 7938 1 14 . 1 1 102 102 ASN H H 102 7.116 7.116 8.185 -1.069 25702 7939 1 15 . 1 1 2 2 VAL N N 2 125.020 125.020 120.943 4.077 25702 7940 1 15 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.198 -0.120 25702 7941 1 15 . 1 1 2 2 VAL C C 2 175.261 175.261 175.713 -0.452 25702 7942 1 15 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.062 -0.013 25702 7943 1 15 . 1 1 2 2 VAL CB C 2 32.667 32.667 33.758 -1.091 25702 7944 1 15 . 1 1 2 2 VAL H H 2 8.590 8.590 8.195 0.395 25702 7945 1 15 . 1 1 3 3 THR N N 3 125.759 125.759 122.354 3.405 25702 7946 1 15 . 1 1 3 3 THR HA H 3 4.138 4.138 4.345 -0.207 25702 7947 1 15 . 1 1 3 3 THR C C 3 173.129 173.129 173.980 -0.851 25702 7948 1 15 . 1 1 3 3 THR CA C 3 62.804 62.804 62.701 0.103 25702 7949 1 15 . 1 1 3 3 THR CB C 3 69.547 69.547 69.944 -0.397 25702 7950 1 15 . 1 1 3 3 THR H H 3 7.778 7.778 8.308 -0.530 25702 7951 1 15 . 1 1 4 4 GLN N N 4 127.746 127.746 125.771 1.975 25702 7952 1 15 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.696 0.043 25702 7953 1 15 . 1 1 4 4 GLN C C 4 176.754 176.754 175.781 0.973 25702 7954 1 15 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.844 -1.409 25702 7955 1 15 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.399 0.131 25702 7956 1 15 . 1 1 4 4 GLN H H 4 8.975 8.975 8.670 0.305 25702 7957 1 15 . 1 1 5 5 PHE N N 5 126.242 126.242 126.353 -0.111 25702 7958 1 15 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.816 0.001 25702 7959 1 15 . 1 1 5 5 PHE C C 5 176.102 176.102 176.605 -0.503 25702 7960 1 15 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.255 2.273 25702 7961 1 15 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.167 0.353 25702 7962 1 15 . 1 1 5 5 PHE H H 5 8.422 8.422 8.868 -0.446 25702 7963 1 15 . 1 1 6 6 LYS N N 6 119.482 119.482 118.113 1.369 25702 7964 1 15 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.516 0.105 25702 7965 1 15 . 1 1 6 6 LYS C C 6 176.994 176.994 175.713 1.281 25702 7966 1 15 . 1 1 6 6 LYS CA C 6 56.015 56.015 57.243 -1.228 25702 7967 1 15 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.018 0.114 25702 7968 1 15 . 1 1 6 6 LYS H H 6 9.822 9.822 8.665 1.157 25702 7969 1 15 . 1 1 7 7 THR N N 7 107.464 107.464 110.453 -2.989 25702 7970 1 15 . 1 1 7 7 THR HA H 7 4.597 4.597 4.561 0.036 25702 7971 1 15 . 1 1 7 7 THR C C 7 173.921 173.921 174.376 -0.455 25702 7972 1 15 . 1 1 7 7 THR CA C 7 59.155 59.155 60.151 -0.996 25702 7973 1 15 . 1 1 7 7 THR CB C 7 72.660 72.660 72.083 0.577 25702 7974 1 15 . 1 1 7 7 THR H H 7 7.484 7.484 7.507 -0.023 25702 7975 1 15 . 1 1 8 8 ALA N N 8 123.987 123.987 122.547 1.440 25702 7976 1 15 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.120 -0.411 25702 7977 1 15 . 1 1 8 8 ALA C C 8 179.409 179.409 179.594 -0.185 25702 7978 1 15 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.862 0.140 25702 7979 1 15 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.295 -0.205 25702 7980 1 15 . 1 1 8 8 ALA H H 8 9.031 9.031 8.590 0.441 25702 7981 1 15 . 1 1 9 9 SER N N 9 112.387 112.387 113.956 -1.569 25702 7982 1 15 . 1 1 9 9 SER HA H 9 4.127 4.127 4.067 0.060 25702 7983 1 15 . 1 1 9 9 SER C C 9 177.070 177.070 176.959 0.111 25702 7984 1 15 . 1 1 9 9 SER CA C 9 61.109 61.109 61.606 -0.497 25702 7985 1 15 . 1 1 9 9 SER CB C 9 62.226 62.226 62.735 -0.509 25702 7986 1 15 . 1 1 9 9 SER H H 9 8.161 8.161 8.360 -0.199 25702 7987 1 15 . 1 1 10 10 GLU N N 10 121.941 121.941 120.998 0.943 25702 7988 1 15 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.782 0.069 25702 7989 1 15 . 1 1 10 10 GLU C C 10 178.776 178.776 178.110 0.666 25702 7990 1 15 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.018 -0.335 25702 7991 1 15 . 1 1 10 10 GLU CB C 10 31.004 31.004 28.979 2.025 25702 7992 1 15 . 1 1 10 10 GLU H H 10 7.522 7.522 7.364 0.158 25702 7993 1 15 . 1 1 11 11 PHE N N 11 120.541 120.541 119.368 1.173 25702 7994 1 15 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.929 -0.083 25702 7995 1 15 . 1 1 11 11 PHE C C 11 174.944 174.944 177.297 -2.353 25702 7996 1 15 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.767 -0.060 25702 7997 1 15 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.848 -1.110 25702 7998 1 15 . 1 1 11 11 PHE H H 11 6.624 6.624 7.159 -0.535 25702 7999 1 15 . 1 1 12 12 ASP N N 12 117.847 117.847 118.232 -0.385 25702 8000 1 15 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.204 -0.373 25702 8001 1 15 . 1 1 12 12 ASP C C 12 178.767 178.767 178.601 0.166 25702 8002 1 15 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.385 -0.167 25702 8003 1 15 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.716 -0.417 25702 8004 1 15 . 1 1 12 12 ASP H H 12 7.637 7.637 8.579 -0.942 25702 8005 1 15 . 1 1 13 13 SER N N 13 111.904 111.904 115.468 -3.564 25702 8006 1 15 . 1 1 13 13 SER HA H 13 4.034 4.034 4.150 -0.116 25702 8007 1 15 . 1 1 13 13 SER C C 13 176.341 176.341 176.201 0.140 25702 8008 1 15 . 1 1 13 13 SER CA C 13 60.857 60.857 61.126 -0.269 25702 8009 1 15 . 1 1 13 13 SER CB C 13 63.144 63.144 63.142 0.002 25702 8010 1 15 . 1 1 13 13 SER H H 13 7.539 7.539 7.949 -0.410 25702 8011 1 15 . 1 1 14 14 ALA N N 14 123.793 123.793 122.960 0.833 25702 8012 1 15 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.990 0.037 25702 8013 1 15 . 1 1 14 14 ALA C C 14 180.358 180.358 179.549 0.809 25702 8014 1 15 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.369 0.471 25702 8015 1 15 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.508 0.318 25702 8016 1 15 . 1 1 14 14 ALA H H 14 7.647 7.647 7.348 0.299 25702 8017 1 15 . 1 1 15 15 ILE N N 15 106.782 106.782 118.964 -12.182 25702 8018 1 15 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.660 0.060 25702 8019 1 15 . 1 1 15 15 ILE C C 15 176.012 176.012 178.056 -2.044 25702 8020 1 15 . 1 1 15 15 ILE CA C 15 63.495 63.495 62.225 1.270 25702 8021 1 15 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.139 1.656 25702 8022 1 15 . 1 1 15 15 ILE H H 15 7.146 7.146 7.833 -0.687 25702 8023 1 15 . 1 1 16 16 ALA N N 16 122.248 122.248 119.167 3.081 25702 8024 1 15 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.223 -0.192 25702 8025 1 15 . 1 1 16 16 ALA C C 16 177.072 177.072 176.771 0.301 25702 8026 1 15 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.187 -0.437 25702 8027 1 15 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.279 0.091 25702 8028 1 15 . 1 1 16 16 ALA H H 16 6.627 6.627 7.390 -0.763 25702 8029 1 15 . 1 1 17 17 GLN N N 17 115.254 115.254 118.587 -3.333 25702 8030 1 15 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.296 -0.077 25702 8031 1 15 . 1 1 17 17 GLN CA C 17 55.898 55.898 54.969 0.929 25702 8032 1 15 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.821 4.143 25702 8033 1 15 . 1 1 17 17 GLN H H 17 7.136 7.136 7.418 -0.282 25702 8034 1 15 . 1 1 18 18 ASP N N 18 122.840 122.840 122.321 0.519 25702 8035 1 15 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.638 -0.106 25702 8036 1 15 . 1 1 18 18 ASP C C 18 175.348 175.348 175.343 0.005 25702 8037 1 15 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.112 -0.602 25702 8038 1 15 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.108 -0.058 25702 8039 1 15 . 1 1 18 18 ASP H H 18 8.644 8.644 8.560 0.084 25702 8040 1 15 . 1 1 19 19 LYS N N 19 118.503 118.503 114.330 4.173 25702 8041 1 15 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.503 -0.120 25702 8042 1 15 . 1 1 19 19 LYS C C 19 173.289 173.289 174.226 -0.937 25702 8043 1 15 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.304 0.417 25702 8044 1 15 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.379 -0.163 25702 8045 1 15 . 1 1 19 19 LYS H H 19 7.939 7.939 7.652 0.287 25702 8046 1 15 . 1 1 20 20 LEU N N 20 120.813 120.813 123.895 -3.082 25702 8047 1 15 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.800 -0.091 25702 8048 1 15 . 1 1 20 20 LEU C C 20 174.429 174.429 175.703 -1.274 25702 8049 1 15 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.780 1.007 25702 8050 1 15 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.698 -0.137 25702 8051 1 15 . 1 1 20 20 LEU H H 20 8.625 8.625 8.713 -0.088 25702 8052 1 15 . 1 1 21 21 VAL N N 21 128.813 128.813 125.787 3.026 25702 8053 1 15 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.616 -0.351 25702 8054 1 15 . 1 1 21 21 VAL C C 21 174.618 174.618 174.410 0.208 25702 8055 1 15 . 1 1 21 21 VAL CA C 21 61.583 61.583 60.777 0.806 25702 8056 1 15 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.539 2.038 25702 8057 1 15 . 1 1 21 21 VAL H H 21 9.251 9.251 9.272 -0.021 25702 8058 1 15 . 1 1 22 22 VAL N N 22 130.243 130.243 129.302 0.941 25702 8059 1 15 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.840 -0.577 25702 8060 1 15 . 1 1 22 22 VAL C C 22 174.802 174.802 174.151 0.651 25702 8061 1 15 . 1 1 22 22 VAL CA C 22 61.642 61.642 59.952 1.690 25702 8062 1 15 . 1 1 22 22 VAL CB C 22 32.824 32.824 33.730 -0.906 25702 8063 1 15 . 1 1 22 22 VAL H H 22 8.969 8.969 8.288 0.681 25702 8064 1 15 . 1 1 23 23 VAL N N 23 125.526 125.526 130.525 -4.999 25702 8065 1 15 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.840 -0.188 25702 8066 1 15 . 1 1 23 23 VAL C C 23 174.086 174.086 174.894 -0.808 25702 8067 1 15 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.093 1.690 25702 8068 1 15 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.220 1.204 25702 8069 1 15 . 1 1 23 23 VAL H H 23 9.555 9.555 9.308 0.247 25702 8070 1 15 . 1 1 24 24 ALA N N 24 130.468 130.468 131.391 -0.923 25702 8071 1 15 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.730 0.273 25702 8072 1 15 . 1 1 24 24 ALA C C 24 175.093 175.093 175.529 -0.436 25702 8073 1 15 . 1 1 24 24 ALA CA C 24 51.109 51.109 51.018 0.091 25702 8074 1 15 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.077 0.466 25702 8075 1 15 . 1 1 24 24 ALA H H 24 9.004 9.004 9.409 -0.405 25702 8076 1 15 . 1 1 25 25 PHE N N 25 124.289 124.289 127.908 -3.619 25702 8077 1 15 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.202 -0.183 25702 8078 1 15 . 1 1 25 25 PHE C C 25 174.794 174.794 174.117 0.677 25702 8079 1 15 . 1 1 25 25 PHE CA C 25 57.620 57.620 57.117 0.503 25702 8080 1 15 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.230 -1.465 25702 8081 1 15 . 1 1 25 25 PHE H H 25 9.455 9.455 9.299 0.156 25702 8082 1 15 . 1 1 26 26 TYR N N 26 120.967 120.967 122.772 -1.805 25702 8083 1 15 . 1 1 26 26 TYR HA H 26 5.351 5.351 5.035 0.316 25702 8084 1 15 . 1 1 26 26 TYR C C 26 171.352 171.352 172.669 -1.317 25702 8085 1 15 . 1 1 26 26 TYR CA C 26 54.831 54.831 54.812 0.019 25702 8086 1 15 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.889 2.045 25702 8087 1 15 . 1 1 26 26 TYR H H 26 8.908 8.908 8.533 0.375 25702 8088 1 15 . 1 1 27 27 ALA N N 27 119.133 119.133 120.896 -1.763 25702 8089 1 15 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.619 -1.060 25702 8090 1 15 . 1 1 27 27 ALA C C 27 179.092 179.092 178.595 0.497 25702 8091 1 15 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.361 0.793 25702 8092 1 15 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.975 0.975 25702 8093 1 15 . 1 1 27 27 ALA H H 27 6.962 6.962 8.218 -1.256 25702 8094 1 15 . 1 1 28 28 THR N N 28 116.784 116.784 117.410 -0.626 25702 8095 1 15 . 1 1 28 28 THR HA H 28 3.867 3.867 4.158 -0.291 25702 8096 1 15 . 1 1 28 28 THR C C 28 174.957 174.957 175.250 -0.293 25702 8097 1 15 . 1 1 28 28 THR CA C 28 64.820 64.820 64.760 0.060 25702 8098 1 15 . 1 1 28 28 THR CB C 28 69.197 69.197 69.080 0.117 25702 8099 1 15 . 1 1 28 28 THR H H 28 10.053 10.053 9.546 0.507 25702 8100 1 15 . 1 1 29 29 TRP N N 29 114.763 114.763 118.338 -3.575 25702 8101 1 15 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.765 -0.243 25702 8102 1 15 . 1 1 29 29 TRP C C 29 175.478 175.478 175.906 -0.428 25702 8103 1 15 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.099 -1.594 25702 8104 1 15 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.956 0.388 25702 8105 1 15 . 1 1 29 29 TRP H H 29 6.495 6.495 7.462 -0.967 25702 8106 1 15 . 1 1 30 30 CYS N N 30 122.729 122.729 120.867 1.862 25702 8107 1 15 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.447 0.044 25702 8108 1 15 . 1 1 30 30 CYS CA C 30 58.502 58.502 59.155 -0.653 25702 8109 1 15 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.517 -1.869 25702 8110 1 15 . 1 1 30 30 CYS H H 30 6.484 6.484 7.187 -0.703 25702 8111 1 15 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.092 -0.132 25702 8112 1 15 . 1 1 33 33 CYS C C 33 176.605 176.605 175.830 0.775 25702 8113 1 15 . 1 1 33 33 CYS CA C 33 63.563 63.563 62.315 1.248 25702 8114 1 15 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.304 0.923 25702 8115 1 15 . 1 1 34 34 LYS N N 34 120.638 120.638 119.867 0.771 25702 8116 1 15 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.854 0.068 25702 8117 1 15 . 1 1 34 34 LYS C C 34 178.623 178.623 177.428 1.195 25702 8118 1 15 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.319 0.803 25702 8119 1 15 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.368 0.819 25702 8120 1 15 . 1 1 34 34 LYS H H 34 7.828 7.828 7.636 0.192 25702 8121 1 15 . 1 1 35 35 MET N N 35 115.754 115.754 118.796 -3.042 25702 8122 1 15 . 1 1 35 35 MET HA H 35 4.230 4.230 4.310 -0.080 25702 8123 1 15 . 1 1 35 35 MET C C 35 177.927 177.927 177.277 0.650 25702 8124 1 15 . 1 1 35 35 MET CA C 35 56.931 56.931 57.653 -0.722 25702 8125 1 15 . 1 1 35 35 MET CB C 35 32.038 32.038 33.532 -1.494 25702 8126 1 15 . 1 1 35 35 MET H H 35 7.612 7.612 7.702 -0.090 25702 8127 1 15 . 1 1 36 36 ILE N N 36 114.905 114.905 119.652 -4.747 25702 8128 1 15 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.909 0.343 25702 8129 1 15 . 1 1 36 36 ILE C C 36 176.681 176.681 177.310 -0.629 25702 8130 1 15 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.342 -2.199 25702 8131 1 15 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.265 1.620 25702 8132 1 15 . 1 1 36 36 ILE H H 36 7.399 7.399 7.674 -0.275 25702 8133 1 15 . 1 1 37 37 ALA N N 37 125.154 125.154 123.298 1.856 25702 8134 1 15 . 1 1 37 37 ALA HA H 37 4.079 4.079 4.004 0.075 25702 8135 1 15 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.887 0.184 25702 8136 1 15 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.143 -0.685 25702 8137 1 15 . 1 1 37 37 ALA H H 37 7.587 7.587 7.500 0.087 25702 8138 1 15 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.325 -0.086 25702 8139 1 15 . 1 1 38 38 PRO C C 38 179.456 179.456 178.208 1.248 25702 8140 1 15 . 1 1 38 38 PRO CA C 38 65.187 65.187 65.229 -0.042 25702 8141 1 15 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.542 -0.779 25702 8142 1 15 . 1 1 39 39 MET N N 39 117.231 117.231 118.522 -1.291 25702 8143 1 15 . 1 1 39 39 MET HA H 39 3.854 3.854 4.227 -0.373 25702 8144 1 15 . 1 1 39 39 MET C C 39 177.388 177.388 177.995 -0.607 25702 8145 1 15 . 1 1 39 39 MET CA C 39 57.916 57.916 58.250 -0.334 25702 8146 1 15 . 1 1 39 39 MET CB C 39 32.238 32.238 32.105 0.133 25702 8147 1 15 . 1 1 39 39 MET H H 39 7.051 7.051 7.880 -0.829 25702 8148 1 15 . 1 1 40 40 ILE N N 40 117.419 117.419 118.895 -1.476 25702 8149 1 15 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.942 -0.267 25702 8150 1 15 . 1 1 40 40 ILE C C 40 177.699 177.699 177.255 0.444 25702 8151 1 15 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.256 -0.587 25702 8152 1 15 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.015 -2.244 25702 8153 1 15 . 1 1 40 40 ILE H H 40 7.825 7.825 7.503 0.322 25702 8154 1 15 . 1 1 41 41 GLU N N 41 119.014 119.014 119.494 -0.480 25702 8155 1 15 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.651 -0.065 25702 8156 1 15 . 1 1 41 41 GLU C C 41 180.065 180.065 178.320 1.745 25702 8157 1 15 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.782 0.625 25702 8158 1 15 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.241 -0.767 25702 8159 1 15 . 1 1 41 41 GLU H H 41 7.475 7.475 7.584 -0.109 25702 8160 1 15 . 1 1 42 42 LYS N N 42 120.988 120.988 119.834 1.154 25702 8161 1 15 . 1 1 42 42 LYS HA H 42 3.917 3.917 4.011 -0.094 25702 8162 1 15 . 1 1 42 42 LYS C C 42 179.895 179.895 179.101 0.794 25702 8163 1 15 . 1 1 42 42 LYS CA C 42 59.034 59.034 57.921 1.113 25702 8164 1 15 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.972 -1.127 25702 8165 1 15 . 1 1 42 42 LYS H H 42 7.402 7.402 7.683 -0.281 25702 8166 1 15 . 1 1 43 43 PHE N N 43 118.946 118.946 119.308 -0.362 25702 8167 1 15 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.950 -0.786 25702 8168 1 15 . 1 1 43 43 PHE C C 43 177.806 177.806 176.302 1.504 25702 8169 1 15 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.837 0.184 25702 8170 1 15 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.736 -0.316 25702 8171 1 15 . 1 1 43 43 PHE H H 43 8.270 8.270 7.540 0.730 25702 8172 1 15 . 1 1 44 44 SER N N 44 116.035 116.035 114.582 1.453 25702 8173 1 15 . 1 1 44 44 SER HA H 44 2.873 2.873 4.415 -1.542 25702 8174 1 15 . 1 1 44 44 SER C C 44 175.522 175.522 175.886 -0.364 25702 8175 1 15 . 1 1 44 44 SER CA C 44 60.173 60.173 59.785 0.389 25702 8176 1 15 . 1 1 44 44 SER CB C 44 61.911 61.911 63.019 -1.108 25702 8177 1 15 . 1 1 44 44 SER H H 44 7.763 7.763 6.984 0.779 25702 8178 1 15 . 1 1 45 45 GLU N N 45 120.563 120.563 121.706 -1.143 25702 8179 1 15 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.968 0.091 25702 8180 1 15 . 1 1 45 45 GLU C C 45 177.798 177.798 177.924 -0.126 25702 8181 1 15 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.304 -1.001 25702 8182 1 15 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.470 0.167 25702 8183 1 15 . 1 1 45 45 GLU H H 45 6.888 6.888 7.525 -0.637 25702 8184 1 15 . 1 1 46 46 GLN N N 46 118.400 118.400 118.549 -0.149 25702 8185 1 15 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.173 -0.246 25702 8186 1 15 . 1 1 46 46 GLN C C 46 175.422 175.422 176.118 -0.696 25702 8187 1 15 . 1 1 46 46 GLN CA C 46 57.033 57.033 56.972 0.061 25702 8188 1 15 . 1 1 46 46 GLN CB C 46 29.690 29.690 29.895 -0.205 25702 8189 1 15 . 1 1 46 46 GLN H H 46 7.451 7.451 7.419 0.032 25702 8190 1 15 . 1 1 47 47 TYR N N 47 115.979 115.979 116.015 -0.036 25702 8191 1 15 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.195 -0.212 25702 8192 1 15 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.425 2.659 25702 8193 1 15 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.341 -0.267 25702 8194 1 15 . 1 1 47 47 TYR H H 47 7.433 7.433 7.679 -0.246 25702 8195 1 15 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.629 0.082 25702 8196 1 15 . 1 1 48 48 PRO C C 48 177.453 177.453 177.476 -0.023 25702 8197 1 15 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.872 0.422 25702 8198 1 15 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.983 -0.113 25702 8199 1 15 . 1 1 49 49 GLN N N 49 119.035 119.035 118.468 0.567 25702 8200 1 15 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.237 0.123 25702 8201 1 15 . 1 1 49 49 GLN C C 49 174.990 174.990 175.351 -0.361 25702 8202 1 15 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.098 -0.638 25702 8203 1 15 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.820 -1.042 25702 8204 1 15 . 1 1 49 49 GLN H H 49 9.617 9.617 8.442 1.175 25702 8205 1 15 . 1 1 50 50 ALA N N 50 127.008 127.008 121.070 5.938 25702 8206 1 15 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.504 0.543 25702 8207 1 15 . 1 1 50 50 ALA C C 50 175.173 175.173 176.366 -1.193 25702 8208 1 15 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.896 -0.847 25702 8209 1 15 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.264 0.902 25702 8210 1 15 . 1 1 50 50 ALA H H 50 8.170 8.170 7.491 0.679 25702 8211 1 15 . 1 1 51 51 ASP N N 51 120.039 120.039 121.006 -0.967 25702 8212 1 15 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.377 0.728 25702 8213 1 15 . 1 1 51 51 ASP C C 51 174.707 174.707 174.830 -0.123 25702 8214 1 15 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.824 -0.820 25702 8215 1 15 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.318 1.955 25702 8216 1 15 . 1 1 51 51 ASP H H 51 8.411 8.411 8.517 -0.106 25702 8217 1 15 . 1 1 52 52 PHE N N 52 120.670 120.670 119.887 0.783 25702 8218 1 15 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.137 0.042 25702 8219 1 15 . 1 1 52 52 PHE C C 52 174.633 174.633 173.958 0.675 25702 8220 1 15 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.489 1.223 25702 8221 1 15 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.189 2.685 25702 8222 1 15 . 1 1 52 52 PHE H H 52 8.943 8.943 7.086 1.857 25702 8223 1 15 . 1 1 53 53 TYR N N 53 120.949 120.949 122.735 -1.786 25702 8224 1 15 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.292 0.185 25702 8225 1 15 . 1 1 53 53 TYR C C 53 174.507 174.507 174.741 -0.234 25702 8226 1 15 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.486 -0.773 25702 8227 1 15 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.501 3.341 25702 8228 1 15 . 1 1 53 53 TYR H H 53 9.336 9.336 8.412 0.924 25702 8229 1 15 . 1 1 54 54 LYS N N 54 115.771 115.771 120.254 -4.483 25702 8230 1 15 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.296 0.203 25702 8231 1 15 . 1 1 54 54 LYS C C 54 173.200 173.200 173.933 -0.733 25702 8232 1 15 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.944 -1.449 25702 8233 1 15 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.475 -1.519 25702 8234 1 15 . 1 1 54 54 LYS H H 54 8.451 8.451 9.002 -0.551 25702 8235 1 15 . 1 1 55 55 LEU N N 55 123.037 123.037 119.746 3.291 25702 8236 1 15 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.503 -0.032 25702 8237 1 15 . 1 1 55 55 LEU C C 55 172.053 172.053 172.746 -0.693 25702 8238 1 15 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.481 0.905 25702 8239 1 15 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.205 -0.392 25702 8240 1 15 . 1 1 55 55 LEU H H 55 8.783 8.783 8.537 0.246 25702 8241 1 15 . 1 1 56 56 ASP N N 56 126.250 126.250 122.856 3.394 25702 8242 1 15 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.023 -0.866 25702 8243 1 15 . 1 1 56 56 ASP C C 56 178.219 178.219 176.730 1.489 25702 8244 1 15 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.400 -0.158 25702 8245 1 15 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.640 -0.892 25702 8246 1 15 . 1 1 56 56 ASP H H 56 8.580 8.580 8.307 0.273 25702 8247 1 15 . 1 1 57 57 VAL N N 57 123.015 123.015 128.177 -5.162 25702 8248 1 15 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.239 -0.823 25702 8249 1 15 . 1 1 57 57 VAL C C 57 175.672 175.672 176.179 -0.507 25702 8250 1 15 . 1 1 57 57 VAL CA C 57 64.696 64.696 63.757 0.939 25702 8251 1 15 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.650 -1.647 25702 8252 1 15 . 1 1 57 57 VAL H H 57 8.767 8.767 8.877 -0.110 25702 8253 1 15 . 1 1 58 58 ASP N N 58 118.536 118.536 118.341 0.195 25702 8254 1 15 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.625 0.070 25702 8255 1 15 . 1 1 58 58 ASP C C 58 177.541 177.541 177.502 0.039 25702 8256 1 15 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.029 -0.870 25702 8257 1 15 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.345 -0.875 25702 8258 1 15 . 1 1 58 58 ASP H H 58 8.653 8.653 8.330 0.323 25702 8259 1 15 . 1 1 59 59 GLU N N 59 119.610 119.610 117.834 1.776 25702 8260 1 15 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.323 0.030 25702 8261 1 15 . 1 1 59 59 GLU C C 59 177.106 177.106 177.279 -0.173 25702 8262 1 15 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.760 -0.391 25702 8263 1 15 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.758 0.942 25702 8264 1 15 . 1 1 59 59 GLU H H 59 7.596 7.596 7.895 -0.299 25702 8265 1 15 . 1 1 60 60 LEU N N 60 121.513 121.513 120.375 1.138 25702 8266 1 15 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.776 0.136 25702 8267 1 15 . 1 1 60 60 LEU C C 60 177.050 177.050 176.948 0.102 25702 8268 1 15 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.757 -0.393 25702 8269 1 15 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.572 2.050 25702 8270 1 15 . 1 1 60 60 LEU H H 60 7.689 7.689 8.218 -0.529 25702 8271 1 15 . 1 1 61 61 GLY N N 61 111.170 111.170 110.321 0.849 25702 8272 1 15 . 1 1 61 61 GLY C C 61 176.313 176.313 175.377 0.936 25702 8273 1 15 . 1 1 61 61 GLY CA C 61 48.223 48.223 46.912 1.311 25702 8274 1 15 . 1 1 61 61 GLY H H 61 8.218 8.218 8.302 -0.084 25702 8275 1 15 . 1 1 62 62 ASP N N 62 119.711 119.711 120.792 -1.081 25702 8276 1 15 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.409 -0.091 25702 8277 1 15 . 1 1 62 62 ASP C C 62 178.935 178.935 178.000 0.935 25702 8278 1 15 . 1 1 62 62 ASP CA C 62 56.679 56.679 57.225 -0.546 25702 8279 1 15 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.379 -1.116 25702 8280 1 15 . 1 1 62 62 ASP H H 62 9.141 9.141 8.613 0.528 25702 8281 1 15 . 1 1 63 63 VAL N N 63 120.511 120.511 119.497 1.014 25702 8282 1 15 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.624 -0.301 25702 8283 1 15 . 1 1 63 63 VAL C C 63 179.266 179.266 177.398 1.868 25702 8284 1 15 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.282 -0.888 25702 8285 1 15 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.688 -0.396 25702 8286 1 15 . 1 1 63 63 VAL H H 63 7.275 7.275 7.658 -0.383 25702 8287 1 15 . 1 1 64 64 ALA N N 64 122.711 122.711 120.816 1.895 25702 8288 1 15 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.136 0.654 25702 8289 1 15 . 1 1 64 64 ALA C C 64 178.540 178.540 179.732 -1.192 25702 8290 1 15 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.029 0.856 25702 8291 1 15 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.161 -0.344 25702 8292 1 15 . 1 1 64 64 ALA H H 64 7.264 7.264 7.747 -0.483 25702 8293 1 15 . 1 1 65 65 GLN N N 65 117.988 117.988 114.979 3.009 25702 8294 1 15 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.033 0.024 25702 8295 1 15 . 1 1 65 65 GLN C C 65 180.544 180.544 177.740 2.804 25702 8296 1 15 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.639 1.370 25702 8297 1 15 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.767 -0.466 25702 8298 1 15 . 1 1 65 65 GLN H H 65 8.344 8.344 7.751 0.593 25702 8299 1 15 . 1 1 66 66 LYS N N 66 120.050 120.050 118.374 1.676 25702 8300 1 15 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.047 0.007 25702 8301 1 15 . 1 1 66 66 LYS C C 66 176.954 176.954 176.851 0.103 25702 8302 1 15 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.074 0.743 25702 8303 1 15 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.083 0.096 25702 8304 1 15 . 1 1 66 66 LYS H H 66 7.971 7.971 7.555 0.416 25702 8305 1 15 . 1 1 67 67 ASN N N 67 114.553 114.553 114.437 0.116 25702 8306 1 15 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.570 0.206 25702 8307 1 15 . 1 1 67 67 ASN C C 67 171.614 171.614 174.531 -2.917 25702 8308 1 15 . 1 1 67 67 ASN CA C 67 54.080 54.080 53.008 1.072 25702 8309 1 15 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.477 0.632 25702 8310 1 15 . 1 1 67 67 ASN H H 67 7.064 7.064 7.361 -0.297 25702 8311 1 15 . 1 1 68 68 GLU N N 68 114.491 114.491 116.788 -2.297 25702 8312 1 15 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.956 -0.215 25702 8313 1 15 . 1 1 68 68 GLU C C 68 175.660 175.660 174.471 1.189 25702 8314 1 15 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.058 -0.052 25702 8315 1 15 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.266 -1.294 25702 8316 1 15 . 1 1 68 68 GLU H H 68 7.755 7.755 7.781 -0.026 25702 8317 1 15 . 1 1 69 69 VAL N N 69 120.375 120.375 118.365 2.010 25702 8318 1 15 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.264 -0.360 25702 8319 1 15 . 1 1 69 69 VAL C C 69 175.415 175.415 174.176 1.239 25702 8320 1 15 . 1 1 69 69 VAL CA C 69 62.870 62.870 60.857 2.013 25702 8321 1 15 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.729 -0.815 25702 8322 1 15 . 1 1 69 69 VAL H H 69 7.787 7.787 7.811 -0.024 25702 8323 1 15 . 1 1 70 70 SER N N 70 121.558 121.558 124.177 -2.619 25702 8324 1 15 . 1 1 70 70 SER HA H 70 4.488 4.488 4.487 0.001 25702 8325 1 15 . 1 1 70 70 SER C C 70 172.616 172.616 174.961 -2.345 25702 8326 1 15 . 1 1 70 70 SER CA C 70 57.728 57.728 58.556 -0.828 25702 8327 1 15 . 1 1 70 70 SER CB C 70 64.713 64.713 63.914 0.799 25702 8328 1 15 . 1 1 70 70 SER H H 70 8.565 8.565 8.659 -0.094 25702 8329 1 15 . 1 1 71 71 ALA N N 71 125.848 125.848 124.411 1.437 25702 8330 1 15 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.699 -0.120 25702 8331 1 15 . 1 1 71 71 ALA C C 71 175.531 175.531 175.864 -0.333 25702 8332 1 15 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.364 0.128 25702 8333 1 15 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.316 1.046 25702 8334 1 15 . 1 1 71 71 ALA H H 71 7.861 7.861 8.185 -0.324 25702 8335 1 15 . 1 1 72 72 MET N N 72 118.991 118.991 116.403 2.588 25702 8336 1 15 . 1 1 72 72 MET HA H 72 4.879 4.879 5.031 -0.152 25702 8337 1 15 . 1 1 72 72 MET CA C 72 51.907 51.907 52.184 -0.277 25702 8338 1 15 . 1 1 72 72 MET CB C 72 35.595 35.595 34.099 1.496 25702 8339 1 15 . 1 1 72 72 MET H H 72 8.553 8.553 8.227 0.326 25702 8340 1 15 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.942 0.064 25702 8341 1 15 . 1 1 73 73 PRO C C 73 176.015 176.015 176.176 -0.161 25702 8342 1 15 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.424 0.605 25702 8343 1 15 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.389 0.976 25702 8344 1 15 . 1 1 74 74 THR N N 74 114.577 114.577 117.880 -3.303 25702 8345 1 15 . 1 1 74 74 THR HA H 74 5.013 5.013 5.026 -0.013 25702 8346 1 15 . 1 1 74 74 THR C C 74 171.538 171.538 173.238 -1.700 25702 8347 1 15 . 1 1 74 74 THR CA C 74 63.556 63.556 62.038 1.518 25702 8348 1 15 . 1 1 74 74 THR CB C 74 73.238 73.238 72.130 1.108 25702 8349 1 15 . 1 1 74 74 THR H H 74 7.772 7.772 9.199 -1.427 25702 8350 1 15 . 1 1 75 75 LEU N N 75 131.086 131.086 127.549 3.537 25702 8351 1 15 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.319 0.167 25702 8352 1 15 . 1 1 75 75 LEU C C 75 174.827 174.827 175.354 -0.527 25702 8353 1 15 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.282 -0.960 25702 8354 1 15 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.462 0.686 25702 8355 1 15 . 1 1 75 75 LEU H H 75 9.517 9.517 9.355 0.162 25702 8356 1 15 . 1 1 76 76 LEU N N 76 123.573 123.573 125.708 -2.135 25702 8357 1 15 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.824 0.079 25702 8358 1 15 . 1 1 76 76 LEU C C 76 174.229 174.229 175.140 -0.911 25702 8359 1 15 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.914 -0.427 25702 8360 1 15 . 1 1 76 76 LEU CB C 76 46.070 46.070 44.925 1.145 25702 8361 1 15 . 1 1 76 76 LEU H H 76 9.214 9.214 9.213 0.001 25702 8362 1 15 . 1 1 77 77 LEU N N 77 123.032 123.032 125.999 -2.967 25702 8363 1 15 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.280 -0.032 25702 8364 1 15 . 1 1 77 77 LEU C C 77 174.961 174.961 175.817 -0.856 25702 8365 1 15 . 1 1 77 77 LEU CA C 77 54.729 54.729 54.007 0.722 25702 8366 1 15 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.654 0.037 25702 8367 1 15 . 1 1 77 77 LEU H H 77 8.189 8.189 9.253 -1.064 25702 8368 1 15 . 1 1 78 78 PHE N N 78 121.929 121.929 122.791 -0.862 25702 8369 1 15 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.892 0.505 25702 8370 1 15 . 1 1 78 78 PHE C C 78 174.427 174.427 174.272 0.155 25702 8371 1 15 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.907 -0.526 25702 8372 1 15 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.168 0.150 25702 8373 1 15 . 1 1 78 78 PHE H H 78 9.748 9.748 9.578 0.170 25702 8374 1 15 . 1 1 79 79 LYS N N 79 117.221 117.221 120.416 -3.195 25702 8375 1 15 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.169 -0.356 25702 8376 1 15 . 1 1 79 79 LYS C C 79 177.709 177.709 176.414 1.295 25702 8377 1 15 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.749 1.673 25702 8378 1 15 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.339 0.931 25702 8379 1 15 . 1 1 79 79 LYS H H 79 8.741 8.741 9.208 -0.467 25702 8380 1 15 . 1 1 80 80 ASN N N 80 125.563 125.563 125.405 0.158 25702 8381 1 15 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.489 -0.184 25702 8382 1 15 . 1 1 80 80 ASN C C 80 175.395 175.395 175.014 0.381 25702 8383 1 15 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.825 0.645 25702 8384 1 15 . 1 1 80 80 ASN CB C 80 37.671 37.671 37.262 0.409 25702 8385 1 15 . 1 1 80 80 ASN H H 80 8.890 8.890 9.055 -0.165 25702 8386 1 15 . 1 1 81 81 GLY N N 81 102.976 102.976 104.710 -1.734 25702 8387 1 15 . 1 1 81 81 GLY C C 81 173.223 173.223 174.046 -0.823 25702 8388 1 15 . 1 1 81 81 GLY CA C 81 45.645 45.645 46.052 -0.407 25702 8389 1 15 . 1 1 81 81 GLY H H 81 8.640 8.640 8.624 0.016 25702 8390 1 15 . 1 1 82 82 LYS N N 82 119.280 119.280 119.706 -0.426 25702 8391 1 15 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.790 -0.067 25702 8392 1 15 . 1 1 82 82 LYS C C 82 174.897 174.897 175.238 -0.341 25702 8393 1 15 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.215 0.140 25702 8394 1 15 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.019 0.308 25702 8395 1 15 . 1 1 82 82 LYS H H 82 7.583 7.583 7.425 0.158 25702 8396 1 15 . 1 1 83 83 GLU N N 83 125.460 125.460 119.577 5.883 25702 8397 1 15 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.664 0.195 25702 8398 1 15 . 1 1 83 83 GLU C C 83 177.249 177.249 177.422 -0.173 25702 8399 1 15 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.762 -0.803 25702 8400 1 15 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.064 0.448 25702 8401 1 15 . 1 1 83 83 GLU H H 83 8.818 8.818 8.653 0.165 25702 8402 1 15 . 1 1 84 84 VAL N N 84 121.989 121.989 114.113 7.876 25702 8403 1 15 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.367 0.055 25702 8404 1 15 . 1 1 84 84 VAL C C 84 175.625 175.625 174.943 0.682 25702 8405 1 15 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.910 -0.827 25702 8406 1 15 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.409 -1.318 25702 8407 1 15 . 1 1 84 84 VAL H H 84 9.281 9.281 8.210 1.071 25702 8408 1 15 . 1 1 85 85 ALA N N 85 121.284 121.284 122.731 -1.447 25702 8409 1 15 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.561 -0.162 25702 8410 1 15 . 1 1 85 85 ALA C C 85 173.805 173.805 174.482 -0.677 25702 8411 1 15 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.289 0.367 25702 8412 1 15 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.206 0.781 25702 8413 1 15 . 1 1 85 85 ALA H H 85 7.564 7.564 7.476 0.088 25702 8414 1 15 . 1 1 86 86 LYS N N 86 119.558 119.558 122.435 -2.877 25702 8415 1 15 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.575 -0.629 25702 8416 1 15 . 1 1 86 86 LYS C C 86 174.999 174.999 175.114 -0.115 25702 8417 1 15 . 1 1 86 86 LYS CA C 86 55.339 55.339 54.570 0.769 25702 8418 1 15 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.334 0.272 25702 8419 1 15 . 1 1 86 86 LYS H H 86 8.000 8.000 8.407 -0.407 25702 8420 1 15 . 1 1 87 87 VAL N N 87 126.118 126.118 123.574 2.544 25702 8421 1 15 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.429 0.274 25702 8422 1 15 . 1 1 87 87 VAL C C 87 174.516 174.516 175.150 -0.634 25702 8423 1 15 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.413 -0.035 25702 8424 1 15 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.129 -0.942 25702 8425 1 15 . 1 1 87 87 VAL H H 87 9.198 9.198 9.100 0.098 25702 8426 1 15 . 1 1 88 88 VAL N N 88 128.549 128.549 127.711 0.838 25702 8427 1 15 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.353 0.101 25702 8428 1 15 . 1 1 88 88 VAL C C 88 176.142 176.142 175.743 0.399 25702 8429 1 15 . 1 1 88 88 VAL CA C 88 61.982 61.982 62.097 -0.115 25702 8430 1 15 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.557 2.084 25702 8431 1 15 . 1 1 88 88 VAL H H 88 9.031 9.031 8.798 0.233 25702 8432 1 15 . 1 1 89 89 GLY N N 89 114.516 114.516 110.640 3.876 25702 8433 1 15 . 1 1 89 89 GLY C C 89 173.063 173.063 172.760 0.303 25702 8434 1 15 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.352 -1.846 25702 8435 1 15 . 1 1 89 89 GLY H H 89 8.379 8.379 7.536 0.843 25702 8436 1 15 . 1 1 90 90 ALA N N 90 122.292 122.292 124.375 -2.083 25702 8437 1 15 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.106 0.089 25702 8438 1 15 . 1 1 90 90 ALA C C 90 174.897 174.897 176.521 -1.624 25702 8439 1 15 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.959 -2.520 25702 8440 1 15 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.487 -0.606 25702 8441 1 15 . 1 1 90 90 ALA H H 90 8.592 8.592 8.552 0.040 25702 8442 1 15 . 1 1 91 91 ASN N N 91 120.220 120.220 125.117 -4.897 25702 8443 1 15 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.080 0.031 25702 8444 1 15 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.726 0.286 25702 8445 1 15 . 1 1 91 91 ASN CB C 91 38.978 38.978 40.324 -1.346 25702 8446 1 15 . 1 1 91 91 ASN H H 91 7.386 7.386 8.539 -1.153 25702 8447 1 15 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.117 -0.089 25702 8448 1 15 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.561 -4.463 25702 8449 1 15 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.269 -0.174 25702 8450 1 15 . 1 1 93 93 ALA C C 93 180.205 180.205 179.796 0.409 25702 8451 1 15 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.677 0.489 25702 8452 1 15 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.054 -0.073 25702 8453 1 15 . 1 1 94 94 ALA N N 94 120.499 120.499 121.198 -0.699 25702 8454 1 15 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.117 -0.056 25702 8455 1 15 . 1 1 94 94 ALA C C 94 180.917 180.917 179.537 1.380 25702 8456 1 15 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.409 -0.149 25702 8457 1 15 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.607 0.191 25702 8458 1 15 . 1 1 94 94 ALA H H 94 7.223 7.223 7.668 -0.445 25702 8459 1 15 . 1 1 95 95 ILE N N 95 119.397 119.397 119.267 0.130 25702 8460 1 15 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.772 -0.420 25702 8461 1 15 . 1 1 95 95 ILE C C 95 176.217 176.217 177.940 -1.723 25702 8462 1 15 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.388 2.565 25702 8463 1 15 . 1 1 95 95 ILE CB C 95 38.380 38.380 37.090 1.290 25702 8464 1 15 . 1 1 95 95 ILE H H 95 7.772 7.772 8.773 -1.001 25702 8465 1 15 . 1 1 96 96 LYS N N 96 118.919 118.919 119.576 -0.657 25702 8466 1 15 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.436 -1.419 25702 8467 1 15 . 1 1 96 96 LYS C C 96 177.824 177.824 179.767 -1.943 25702 8468 1 15 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.373 1.253 25702 8469 1 15 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.307 -0.142 25702 8470 1 15 . 1 1 96 96 LYS H H 96 8.112 8.112 7.945 0.167 25702 8471 1 15 . 1 1 97 97 GLN N N 97 115.480 115.480 118.887 -3.407 25702 8472 1 15 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.167 -0.315 25702 8473 1 15 . 1 1 97 97 GLN C C 97 178.014 178.014 177.619 0.395 25702 8474 1 15 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.257 0.326 25702 8475 1 15 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.870 -0.526 25702 8476 1 15 . 1 1 97 97 GLN H H 97 7.686 7.686 7.884 -0.198 25702 8477 1 15 . 1 1 98 98 ALA N N 98 120.911 120.911 123.974 -3.063 25702 8478 1 15 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.014 -0.084 25702 8479 1 15 . 1 1 98 98 ALA C C 98 179.544 179.544 179.639 -0.095 25702 8480 1 15 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.259 -0.510 25702 8481 1 15 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.080 -0.165 25702 8482 1 15 . 1 1 98 98 ALA H H 98 7.446 7.446 7.642 -0.196 25702 8483 1 15 . 1 1 99 99 ILE N N 99 117.780 117.780 117.554 0.226 25702 8484 1 15 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.578 -0.531 25702 8485 1 15 . 1 1 99 99 ILE C C 99 177.087 177.087 178.068 -0.981 25702 8486 1 15 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.920 2.539 25702 8487 1 15 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.932 2.200 25702 8488 1 15 . 1 1 99 99 ILE H H 99 7.735 7.735 8.446 -0.711 25702 8489 1 15 . 1 1 100 100 ALA N N 100 119.516 119.516 120.469 -0.953 25702 8490 1 15 . 1 1 100 100 ALA C C 100 180.431 180.431 178.261 2.170 25702 8491 1 15 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.884 1.361 25702 8492 1 15 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.101 0.192 25702 8493 1 15 . 1 1 100 100 ALA H H 100 8.214 8.214 7.582 0.632 25702 8494 1 15 . 1 1 101 101 ALA N N 101 115.674 115.674 121.908 -6.234 25702 8495 1 15 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.118 -0.048 25702 8496 1 15 . 1 1 101 101 ALA C C 101 178.213 178.213 179.219 -1.006 25702 8497 1 15 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.981 -0.097 25702 8498 1 15 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.465 -0.422 25702 8499 1 15 . 1 1 101 101 ALA H H 101 7.619 7.619 7.719 -0.100 25702 8500 1 15 . 1 1 102 102 ASN N N 102 115.986 115.986 115.219 0.767 25702 8501 1 15 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.563 0.221 25702 8502 1 15 . 1 1 102 102 ASN C C 102 172.740 172.740 175.721 -2.981 25702 8503 1 15 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.564 -0.264 25702 8504 1 15 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.248 3.640 25702 8505 1 15 . 1 1 102 102 ASN H H 102 7.116 7.116 8.442 -1.326 25702 8506 1 16 . 1 1 2 2 VAL N N 2 125.020 125.020 125.420 -0.400 25702 8507 1 16 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.253 -0.175 25702 8508 1 16 . 1 1 2 2 VAL C C 2 175.261 175.261 176.017 -0.756 25702 8509 1 16 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.138 -0.089 25702 8510 1 16 . 1 1 2 2 VAL CB C 2 32.667 32.667 34.103 -1.436 25702 8511 1 16 . 1 1 2 2 VAL H H 2 8.590 8.590 9.119 -0.529 25702 8512 1 16 . 1 1 3 3 THR N N 3 125.759 125.759 123.775 1.984 25702 8513 1 16 . 1 1 3 3 THR HA H 3 4.138 4.138 4.424 -0.286 25702 8514 1 16 . 1 1 3 3 THR C C 3 173.129 173.129 172.853 0.276 25702 8515 1 16 . 1 1 3 3 THR CA C 3 62.804 62.804 62.029 0.776 25702 8516 1 16 . 1 1 3 3 THR CB C 3 69.547 69.547 69.833 -0.286 25702 8517 1 16 . 1 1 3 3 THR H H 3 7.778 7.778 8.654 -0.876 25702 8518 1 16 . 1 1 4 4 GLN N N 4 127.746 127.746 123.409 4.337 25702 8519 1 16 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.984 -0.245 25702 8520 1 16 . 1 1 4 4 GLN C C 4 176.754 176.754 175.514 1.240 25702 8521 1 16 . 1 1 4 4 GLN CA C 4 54.435 54.435 54.938 -0.503 25702 8522 1 16 . 1 1 4 4 GLN CB C 4 29.530 29.530 30.240 -0.710 25702 8523 1 16 . 1 1 4 4 GLN H H 4 8.975 8.975 8.474 0.501 25702 8524 1 16 . 1 1 5 5 PHE N N 5 126.242 126.242 125.371 0.871 25702 8525 1 16 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.921 -0.104 25702 8526 1 16 . 1 1 5 5 PHE C C 5 176.102 176.102 176.096 0.006 25702 8527 1 16 . 1 1 5 5 PHE CA C 5 58.528 58.528 55.554 2.974 25702 8528 1 16 . 1 1 5 5 PHE CB C 5 40.520 40.520 41.253 -0.733 25702 8529 1 16 . 1 1 5 5 PHE H H 5 8.422 8.422 8.911 -0.489 25702 8530 1 16 . 1 1 6 6 LYS N N 6 119.482 119.482 117.498 1.984 25702 8531 1 16 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.570 0.051 25702 8532 1 16 . 1 1 6 6 LYS C C 6 176.994 176.994 175.948 1.046 25702 8533 1 16 . 1 1 6 6 LYS CA C 6 56.015 56.015 55.876 0.139 25702 8534 1 16 . 1 1 6 6 LYS CB C 6 34.132 34.132 35.276 -1.144 25702 8535 1 16 . 1 1 6 6 LYS H H 6 9.822 9.822 9.601 0.221 25702 8536 1 16 . 1 1 7 7 THR N N 7 107.464 107.464 110.395 -2.931 25702 8537 1 16 . 1 1 7 7 THR HA H 7 4.597 4.597 4.629 -0.032 25702 8538 1 16 . 1 1 7 7 THR C C 7 173.921 173.921 174.276 -0.355 25702 8539 1 16 . 1 1 7 7 THR CA C 7 59.155 59.155 59.949 -0.794 25702 8540 1 16 . 1 1 7 7 THR CB C 7 72.660 72.660 72.290 0.370 25702 8541 1 16 . 1 1 7 7 THR H H 7 7.484 7.484 7.695 -0.211 25702 8542 1 16 . 1 1 8 8 ALA N N 8 123.987 123.987 123.653 0.334 25702 8543 1 16 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.217 -0.508 25702 8544 1 16 . 1 1 8 8 ALA C C 8 179.409 179.409 179.616 -0.207 25702 8545 1 16 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.515 0.487 25702 8546 1 16 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.074 0.016 25702 8547 1 16 . 1 1 8 8 ALA H H 8 9.031 9.031 8.783 0.248 25702 8548 1 16 . 1 1 9 9 SER N N 9 112.387 112.387 114.845 -2.458 25702 8549 1 16 . 1 1 9 9 SER HA H 9 4.127 4.127 4.056 0.071 25702 8550 1 16 . 1 1 9 9 SER C C 9 177.070 177.070 176.909 0.161 25702 8551 1 16 . 1 1 9 9 SER CA C 9 61.109 61.109 61.766 -0.657 25702 8552 1 16 . 1 1 9 9 SER CB C 9 62.226 62.226 62.210 0.016 25702 8553 1 16 . 1 1 9 9 SER H H 9 8.161 8.161 8.448 -0.287 25702 8554 1 16 . 1 1 10 10 GLU N N 10 121.941 121.941 121.882 0.059 25702 8555 1 16 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.733 0.118 25702 8556 1 16 . 1 1 10 10 GLU C C 10 178.776 178.776 178.056 0.720 25702 8557 1 16 . 1 1 10 10 GLU CA C 10 58.683 58.683 58.804 -0.121 25702 8558 1 16 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.096 1.908 25702 8559 1 16 . 1 1 10 10 GLU H H 10 7.522 7.522 7.387 0.135 25702 8560 1 16 . 1 1 11 11 PHE N N 11 120.541 120.541 119.268 1.273 25702 8561 1 16 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.208 -0.362 25702 8562 1 16 . 1 1 11 11 PHE C C 11 174.944 174.944 177.000 -2.056 25702 8563 1 16 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.733 -0.025 25702 8564 1 16 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.937 -1.199 25702 8565 1 16 . 1 1 11 11 PHE H H 11 6.624 6.624 7.121 -0.497 25702 8566 1 16 . 1 1 12 12 ASP N N 12 117.847 117.847 118.248 -0.401 25702 8567 1 16 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.153 -0.322 25702 8568 1 16 . 1 1 12 12 ASP C C 12 178.767 178.767 178.623 0.144 25702 8569 1 16 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.378 -0.160 25702 8570 1 16 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.735 -0.436 25702 8571 1 16 . 1 1 12 12 ASP H H 12 7.637 7.637 8.347 -0.710 25702 8572 1 16 . 1 1 13 13 SER N N 13 111.904 111.904 115.385 -3.481 25702 8573 1 16 . 1 1 13 13 SER HA H 13 4.034 4.034 4.129 -0.095 25702 8574 1 16 . 1 1 13 13 SER C C 13 176.341 176.341 176.590 -0.249 25702 8575 1 16 . 1 1 13 13 SER CA C 13 60.857 60.857 61.057 -0.200 25702 8576 1 16 . 1 1 13 13 SER CB C 13 63.144 63.144 63.009 0.135 25702 8577 1 16 . 1 1 13 13 SER H H 13 7.539 7.539 8.014 -0.475 25702 8578 1 16 . 1 1 14 14 ALA N N 14 123.793 123.793 123.139 0.654 25702 8579 1 16 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.942 0.085 25702 8580 1 16 . 1 1 14 14 ALA C C 14 180.358 180.358 179.751 0.607 25702 8581 1 16 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.364 0.477 25702 8582 1 16 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.170 0.656 25702 8583 1 16 . 1 1 14 14 ALA H H 14 7.647 7.647 7.487 0.160 25702 8584 1 16 . 1 1 15 15 ILE N N 15 106.782 106.782 119.091 -12.309 25702 8585 1 16 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.661 0.059 25702 8586 1 16 . 1 1 15 15 ILE C C 15 176.012 176.012 177.754 -1.742 25702 8587 1 16 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.971 1.524 25702 8588 1 16 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.039 1.756 25702 8589 1 16 . 1 1 15 15 ILE H H 15 7.146 7.146 7.720 -0.574 25702 8590 1 16 . 1 1 16 16 ALA N N 16 122.248 122.248 118.920 3.328 25702 8591 1 16 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.272 -0.241 25702 8592 1 16 . 1 1 16 16 ALA C C 16 177.072 177.072 176.971 0.101 25702 8593 1 16 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.976 -0.226 25702 8594 1 16 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.213 0.157 25702 8595 1 16 . 1 1 16 16 ALA H H 16 6.627 6.627 7.313 -0.686 25702 8596 1 16 . 1 1 17 17 GLN N N 17 115.254 115.254 118.898 -3.644 25702 8597 1 16 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.284 -0.065 25702 8598 1 16 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.391 0.507 25702 8599 1 16 . 1 1 17 17 GLN CB C 17 33.964 33.964 30.152 3.812 25702 8600 1 16 . 1 1 17 17 GLN H H 17 7.136 7.136 7.264 -0.128 25702 8601 1 16 . 1 1 18 18 ASP N N 18 122.840 122.840 125.797 -2.957 25702 8602 1 16 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.605 -0.073 25702 8603 1 16 . 1 1 18 18 ASP C C 18 175.348 175.348 175.339 0.009 25702 8604 1 16 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.290 -0.780 25702 8605 1 16 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.582 -0.532 25702 8606 1 16 . 1 1 18 18 ASP H H 18 8.644 8.644 8.579 0.065 25702 8607 1 16 . 1 1 19 19 LYS N N 19 118.503 118.503 118.778 -0.275 25702 8608 1 16 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.430 -0.047 25702 8609 1 16 . 1 1 19 19 LYS C C 19 173.289 173.289 174.037 -0.748 25702 8610 1 16 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.895 -0.174 25702 8611 1 16 . 1 1 19 19 LYS CB C 19 34.216 34.216 33.655 0.561 25702 8612 1 16 . 1 1 19 19 LYS H H 19 7.939 7.939 7.892 0.047 25702 8613 1 16 . 1 1 20 20 LEU N N 20 120.813 120.813 123.502 -2.689 25702 8614 1 16 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.871 -0.162 25702 8615 1 16 . 1 1 20 20 LEU C C 20 174.429 174.429 175.812 -1.383 25702 8616 1 16 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.511 1.276 25702 8617 1 16 . 1 1 20 20 LEU CB C 20 41.561 41.561 42.032 -0.471 25702 8618 1 16 . 1 1 20 20 LEU H H 20 8.625 8.625 8.801 -0.176 25702 8619 1 16 . 1 1 21 21 VAL N N 21 128.813 128.813 127.827 0.986 25702 8620 1 16 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.325 -0.060 25702 8621 1 16 . 1 1 21 21 VAL C C 21 174.618 174.618 175.361 -0.743 25702 8622 1 16 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.613 -0.030 25702 8623 1 16 . 1 1 21 21 VAL CB C 21 34.577 34.577 31.943 2.634 25702 8624 1 16 . 1 1 21 21 VAL H H 21 9.251 9.251 9.297 -0.046 25702 8625 1 16 . 1 1 22 22 VAL N N 22 130.243 130.243 129.542 0.701 25702 8626 1 16 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.278 -0.015 25702 8627 1 16 . 1 1 22 22 VAL C C 22 174.802 174.802 174.808 -0.006 25702 8628 1 16 . 1 1 22 22 VAL CA C 22 61.642 61.642 62.174 -0.532 25702 8629 1 16 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.470 1.354 25702 8630 1 16 . 1 1 22 22 VAL H H 22 8.969 8.969 9.242 -0.273 25702 8631 1 16 . 1 1 23 23 VAL N N 23 125.526 125.526 128.646 -3.120 25702 8632 1 16 . 1 1 23 23 VAL HA H 23 4.652 4.652 5.294 -0.642 25702 8633 1 16 . 1 1 23 23 VAL C C 23 174.086 174.086 174.944 -0.858 25702 8634 1 16 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.228 1.555 25702 8635 1 16 . 1 1 23 23 VAL CB C 23 34.424 34.424 34.198 0.226 25702 8636 1 16 . 1 1 23 23 VAL H H 23 9.555 9.555 8.750 0.805 25702 8637 1 16 . 1 1 24 24 ALA N N 24 130.468 130.468 130.309 0.159 25702 8638 1 16 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.972 0.031 25702 8639 1 16 . 1 1 24 24 ALA C C 24 175.093 175.093 175.824 -0.731 25702 8640 1 16 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.610 0.499 25702 8641 1 16 . 1 1 24 24 ALA CB C 24 19.543 19.543 20.359 -0.816 25702 8642 1 16 . 1 1 24 24 ALA H H 24 9.004 9.004 9.411 -0.407 25702 8643 1 16 . 1 1 25 25 PHE N N 25 124.289 124.289 126.528 -2.239 25702 8644 1 16 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.437 -0.418 25702 8645 1 16 . 1 1 25 25 PHE C C 25 174.794 174.794 174.594 0.200 25702 8646 1 16 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.561 2.059 25702 8647 1 16 . 1 1 25 25 PHE CB C 25 39.765 39.765 40.653 -0.888 25702 8648 1 16 . 1 1 25 25 PHE H H 25 9.455 9.455 9.397 0.058 25702 8649 1 16 . 1 1 26 26 TYR N N 26 120.967 120.967 121.827 -0.860 25702 8650 1 16 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.896 0.455 25702 8651 1 16 . 1 1 26 26 TYR C C 26 171.352 171.352 172.442 -1.090 25702 8652 1 16 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.383 -0.551 25702 8653 1 16 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.605 2.329 25702 8654 1 16 . 1 1 26 26 TYR H H 26 8.908 8.908 8.412 0.496 25702 8655 1 16 . 1 1 27 27 ALA N N 27 119.133 119.133 120.489 -1.356 25702 8656 1 16 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.770 -0.211 25702 8657 1 16 . 1 1 27 27 ALA C C 27 179.092 179.092 177.778 1.314 25702 8658 1 16 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.274 -0.120 25702 8659 1 16 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.106 1.844 25702 8660 1 16 . 1 1 27 27 ALA H H 27 6.962 6.962 8.433 -1.471 25702 8661 1 16 . 1 1 28 28 THR N N 28 116.784 116.784 119.113 -2.329 25702 8662 1 16 . 1 1 28 28 THR HA H 28 3.867 3.867 4.149 -0.282 25702 8663 1 16 . 1 1 28 28 THR C C 28 174.957 174.957 174.870 0.087 25702 8664 1 16 . 1 1 28 28 THR CA C 28 64.820 64.820 64.833 -0.013 25702 8665 1 16 . 1 1 28 28 THR CB C 28 69.197 69.197 68.829 0.368 25702 8666 1 16 . 1 1 28 28 THR H H 28 10.053 10.053 8.807 1.246 25702 8667 1 16 . 1 1 29 29 TRP N N 29 114.763 114.763 118.889 -4.126 25702 8668 1 16 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.819 -0.297 25702 8669 1 16 . 1 1 29 29 TRP C C 29 175.478 175.478 175.592 -0.114 25702 8670 1 16 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.642 -2.137 25702 8671 1 16 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.941 0.403 25702 8672 1 16 . 1 1 29 29 TRP H H 29 6.495 6.495 7.498 -1.003 25702 8673 1 16 . 1 1 30 30 CYS N N 30 122.729 122.729 121.045 1.684 25702 8674 1 16 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.382 0.109 25702 8675 1 16 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.572 -0.070 25702 8676 1 16 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.877 -2.229 25702 8677 1 16 . 1 1 30 30 CYS H H 30 6.484 6.484 7.405 -0.921 25702 8678 1 16 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.121 -0.161 25702 8679 1 16 . 1 1 33 33 CYS C C 33 176.605 176.605 175.677 0.928 25702 8680 1 16 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.877 2.686 25702 8681 1 16 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.372 0.855 25702 8682 1 16 . 1 1 34 34 LYS N N 34 120.638 120.638 119.648 0.990 25702 8683 1 16 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.912 0.010 25702 8684 1 16 . 1 1 34 34 LYS C C 34 178.623 178.623 177.474 1.149 25702 8685 1 16 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.279 0.843 25702 8686 1 16 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.326 0.861 25702 8687 1 16 . 1 1 34 34 LYS H H 34 7.828 7.828 7.319 0.509 25702 8688 1 16 . 1 1 35 35 MET N N 35 115.754 115.754 118.624 -2.870 25702 8689 1 16 . 1 1 35 35 MET HA H 35 4.230 4.230 4.351 -0.121 25702 8690 1 16 . 1 1 35 35 MET C C 35 177.927 177.927 177.388 0.539 25702 8691 1 16 . 1 1 35 35 MET CA C 35 56.931 56.931 55.826 1.105 25702 8692 1 16 . 1 1 35 35 MET CB C 35 32.038 32.038 33.120 -1.082 25702 8693 1 16 . 1 1 35 35 MET H H 35 7.612 7.612 7.550 0.062 25702 8694 1 16 . 1 1 36 36 ILE N N 36 114.905 114.905 119.250 -4.345 25702 8695 1 16 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.852 0.400 25702 8696 1 16 . 1 1 36 36 ILE C C 36 176.681 176.681 177.358 -0.677 25702 8697 1 16 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.272 -2.129 25702 8698 1 16 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.135 1.750 25702 8699 1 16 . 1 1 36 36 ILE H H 36 7.399 7.399 7.542 -0.143 25702 8700 1 16 . 1 1 37 37 ALA N N 37 125.154 125.154 123.120 2.034 25702 8701 1 16 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.985 0.094 25702 8702 1 16 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.764 0.306 25702 8703 1 16 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.247 -0.789 25702 8704 1 16 . 1 1 37 37 ALA H H 37 7.587 7.587 7.482 0.105 25702 8705 1 16 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.274 -0.035 25702 8706 1 16 . 1 1 38 38 PRO C C 38 179.456 179.456 178.029 1.427 25702 8707 1 16 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.686 0.500 25702 8708 1 16 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.604 -0.841 25702 8709 1 16 . 1 1 39 39 MET N N 39 117.231 117.231 118.627 -1.396 25702 8710 1 16 . 1 1 39 39 MET HA H 39 3.854 3.854 3.926 -0.072 25702 8711 1 16 . 1 1 39 39 MET C C 39 177.388 177.388 177.283 0.105 25702 8712 1 16 . 1 1 39 39 MET CA C 39 57.916 57.916 58.911 -0.995 25702 8713 1 16 . 1 1 39 39 MET CB C 39 32.238 32.238 32.403 -0.165 25702 8714 1 16 . 1 1 39 39 MET H H 39 7.051 7.051 7.623 -0.572 25702 8715 1 16 . 1 1 40 40 ILE N N 40 117.419 117.419 119.222 -1.803 25702 8716 1 16 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.063 0.612 25702 8717 1 16 . 1 1 40 40 ILE C C 40 177.699 177.699 177.252 0.447 25702 8718 1 16 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.465 -0.796 25702 8719 1 16 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.176 -2.405 25702 8720 1 16 . 1 1 40 40 ILE H H 40 7.825 7.825 7.354 0.471 25702 8721 1 16 . 1 1 41 41 GLU N N 41 119.014 119.014 118.405 0.609 25702 8722 1 16 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.822 -0.236 25702 8723 1 16 . 1 1 41 41 GLU C C 41 180.065 180.065 178.526 1.539 25702 8724 1 16 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.123 0.284 25702 8725 1 16 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.127 -0.653 25702 8726 1 16 . 1 1 41 41 GLU H H 41 7.475 7.475 7.602 -0.127 25702 8727 1 16 . 1 1 42 42 LYS N N 42 120.988 120.988 120.081 0.907 25702 8728 1 16 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.922 -0.005 25702 8729 1 16 . 1 1 42 42 LYS C C 42 179.895 179.895 178.721 1.174 25702 8730 1 16 . 1 1 42 42 LYS CA C 42 59.034 59.034 59.067 -0.033 25702 8731 1 16 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.043 -1.198 25702 8732 1 16 . 1 1 42 42 LYS H H 42 7.402 7.402 7.430 -0.028 25702 8733 1 16 . 1 1 43 43 PHE N N 43 118.946 118.946 118.332 0.614 25702 8734 1 16 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.958 -0.794 25702 8735 1 16 . 1 1 43 43 PHE C C 43 177.806 177.806 177.717 0.089 25702 8736 1 16 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.296 0.726 25702 8737 1 16 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.047 -0.627 25702 8738 1 16 . 1 1 43 43 PHE H H 43 8.270 8.270 7.228 1.042 25702 8739 1 16 . 1 1 44 44 SER N N 44 116.035 116.035 113.259 2.776 25702 8740 1 16 . 1 1 44 44 SER HA H 44 2.873 2.873 4.296 -1.423 25702 8741 1 16 . 1 1 44 44 SER C C 44 175.522 175.522 175.947 -0.425 25702 8742 1 16 . 1 1 44 44 SER CA C 44 60.173 60.173 59.930 0.243 25702 8743 1 16 . 1 1 44 44 SER CB C 44 61.911 61.911 63.075 -1.164 25702 8744 1 16 . 1 1 44 44 SER H H 44 7.763 7.763 7.698 0.065 25702 8745 1 16 . 1 1 45 45 GLU N N 45 120.563 120.563 121.824 -1.261 25702 8746 1 16 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.963 0.096 25702 8747 1 16 . 1 1 45 45 GLU C C 45 177.798 177.798 177.423 0.375 25702 8748 1 16 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.892 -1.589 25702 8749 1 16 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.650 -0.013 25702 8750 1 16 . 1 1 45 45 GLU H H 45 6.888 6.888 7.698 -0.810 25702 8751 1 16 . 1 1 46 46 GLN N N 46 118.400 118.400 116.885 1.515 25702 8752 1 16 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.170 -0.243 25702 8753 1 16 . 1 1 46 46 GLN C C 46 175.422 175.422 176.591 -1.169 25702 8754 1 16 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.336 -0.303 25702 8755 1 16 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.800 -1.110 25702 8756 1 16 . 1 1 46 46 GLN H H 46 7.451 7.451 7.339 0.112 25702 8757 1 16 . 1 1 47 47 TYR N N 47 115.979 115.979 114.982 0.997 25702 8758 1 16 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.100 -0.117 25702 8759 1 16 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.719 2.365 25702 8760 1 16 . 1 1 47 47 TYR CB C 47 38.074 38.074 37.991 0.083 25702 8761 1 16 . 1 1 47 47 TYR H H 47 7.433 7.433 7.440 -0.007 25702 8762 1 16 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.671 0.040 25702 8763 1 16 . 1 1 48 48 PRO C C 48 177.453 177.453 177.732 -0.279 25702 8764 1 16 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.060 0.234 25702 8765 1 16 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.227 -0.357 25702 8766 1 16 . 1 1 49 49 GLN N N 49 119.035 119.035 117.866 1.169 25702 8767 1 16 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.226 0.134 25702 8768 1 16 . 1 1 49 49 GLN C C 49 174.990 174.990 175.637 -0.647 25702 8769 1 16 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.942 -0.482 25702 8770 1 16 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.574 0.205 25702 8771 1 16 . 1 1 49 49 GLN H H 49 9.617 9.617 8.525 1.092 25702 8772 1 16 . 1 1 50 50 ALA N N 50 127.008 127.008 121.016 5.992 25702 8773 1 16 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.569 0.478 25702 8774 1 16 . 1 1 50 50 ALA C C 50 175.173 175.173 176.373 -1.200 25702 8775 1 16 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.619 -0.570 25702 8776 1 16 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.319 0.847 25702 8777 1 16 . 1 1 50 50 ALA H H 50 8.170 8.170 7.400 0.770 25702 8778 1 16 . 1 1 51 51 ASP N N 51 120.039 120.039 120.941 -0.902 25702 8779 1 16 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.374 0.731 25702 8780 1 16 . 1 1 51 51 ASP C C 51 174.707 174.707 174.548 0.159 25702 8781 1 16 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.662 -0.658 25702 8782 1 16 . 1 1 51 51 ASP CB C 51 44.273 44.273 44.029 0.244 25702 8783 1 16 . 1 1 51 51 ASP H H 51 8.411 8.411 8.721 -0.310 25702 8784 1 16 . 1 1 52 52 PHE N N 52 120.670 120.670 118.630 2.040 25702 8785 1 16 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.343 -0.164 25702 8786 1 16 . 1 1 52 52 PHE C C 52 174.633 174.633 173.923 0.710 25702 8787 1 16 . 1 1 52 52 PHE CA C 52 56.712 56.712 54.798 1.914 25702 8788 1 16 . 1 1 52 52 PHE CB C 52 41.874 41.874 40.064 1.810 25702 8789 1 16 . 1 1 52 52 PHE H H 52 8.943 8.943 7.042 1.901 25702 8790 1 16 . 1 1 53 53 TYR N N 53 120.949 120.949 122.458 -1.509 25702 8791 1 16 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.554 -0.077 25702 8792 1 16 . 1 1 53 53 TYR C C 53 174.507 174.507 174.341 0.166 25702 8793 1 16 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.610 -0.897 25702 8794 1 16 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.757 3.085 25702 8795 1 16 . 1 1 53 53 TYR H H 53 9.336 9.336 9.202 0.134 25702 8796 1 16 . 1 1 54 54 LYS N N 54 115.771 115.771 119.089 -3.318 25702 8797 1 16 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.400 0.099 25702 8798 1 16 . 1 1 54 54 LYS C C 54 173.200 173.200 173.619 -0.419 25702 8799 1 16 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.054 -1.559 25702 8800 1 16 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.475 -1.520 25702 8801 1 16 . 1 1 54 54 LYS H H 54 8.451 8.451 9.081 -0.630 25702 8802 1 16 . 1 1 55 55 LEU N N 55 123.037 123.037 120.174 2.863 25702 8803 1 16 . 1 1 55 55 LEU HA H 55 4.471 4.471 5.131 -0.660 25702 8804 1 16 . 1 1 55 55 LEU C C 55 172.053 172.053 173.302 -1.249 25702 8805 1 16 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.790 1.596 25702 8806 1 16 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.092 -0.279 25702 8807 1 16 . 1 1 55 55 LEU H H 55 8.783 8.783 8.608 0.175 25702 8808 1 16 . 1 1 56 56 ASP N N 56 126.250 126.250 124.042 2.208 25702 8809 1 16 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.025 -0.868 25702 8810 1 16 . 1 1 56 56 ASP C C 56 178.219 178.219 176.994 1.225 25702 8811 1 16 . 1 1 56 56 ASP CA C 56 52.242 52.242 54.496 -2.254 25702 8812 1 16 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.351 -0.603 25702 8813 1 16 . 1 1 56 56 ASP H H 56 8.580 8.580 8.311 0.269 25702 8814 1 16 . 1 1 57 57 VAL N N 57 123.015 123.015 125.444 -2.429 25702 8815 1 16 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.937 -0.521 25702 8816 1 16 . 1 1 57 57 VAL C C 57 175.672 175.672 176.258 -0.586 25702 8817 1 16 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.166 0.530 25702 8818 1 16 . 1 1 57 57 VAL CB C 57 31.003 31.003 32.150 -1.147 25702 8819 1 16 . 1 1 57 57 VAL H H 57 8.767 8.767 8.744 0.023 25702 8820 1 16 . 1 1 58 58 ASP N N 58 118.536 118.536 118.586 -0.050 25702 8821 1 16 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.614 0.081 25702 8822 1 16 . 1 1 58 58 ASP C C 58 177.541 177.541 177.187 0.354 25702 8823 1 16 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.137 -0.978 25702 8824 1 16 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.012 -0.542 25702 8825 1 16 . 1 1 58 58 ASP H H 58 8.653 8.653 8.195 0.458 25702 8826 1 16 . 1 1 59 59 GLU N N 59 119.610 119.610 118.439 1.171 25702 8827 1 16 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.364 -0.011 25702 8828 1 16 . 1 1 59 59 GLU C C 59 177.106 177.106 177.558 -0.452 25702 8829 1 16 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.408 -0.040 25702 8830 1 16 . 1 1 59 59 GLU CB C 59 31.700 31.700 31.243 0.457 25702 8831 1 16 . 1 1 59 59 GLU H H 59 7.596 7.596 7.643 -0.047 25702 8832 1 16 . 1 1 60 60 LEU N N 60 121.513 121.513 121.227 0.286 25702 8833 1 16 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.764 0.148 25702 8834 1 16 . 1 1 60 60 LEU C C 60 177.050 177.050 176.730 0.320 25702 8835 1 16 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.777 -0.413 25702 8836 1 16 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.470 2.152 25702 8837 1 16 . 1 1 60 60 LEU H H 60 7.689 7.689 8.288 -0.599 25702 8838 1 16 . 1 1 61 61 GLY N N 61 111.170 111.170 110.049 1.121 25702 8839 1 16 . 1 1 61 61 GLY C C 61 176.313 176.313 175.514 0.799 25702 8840 1 16 . 1 1 61 61 GLY CA C 61 48.223 48.223 46.934 1.290 25702 8841 1 16 . 1 1 61 61 GLY H H 61 8.218 8.218 8.133 0.085 25702 8842 1 16 . 1 1 62 62 ASP N N 62 119.711 119.711 120.846 -1.135 25702 8843 1 16 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.470 -0.152 25702 8844 1 16 . 1 1 62 62 ASP C C 62 178.935 178.935 177.999 0.936 25702 8845 1 16 . 1 1 62 62 ASP CA C 62 56.679 56.679 57.303 -0.624 25702 8846 1 16 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.332 -1.069 25702 8847 1 16 . 1 1 62 62 ASP H H 62 9.141 9.141 8.553 0.588 25702 8848 1 16 . 1 1 63 63 VAL N N 63 120.511 120.511 120.001 0.510 25702 8849 1 16 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.741 -0.418 25702 8850 1 16 . 1 1 63 63 VAL C C 63 179.266 179.266 177.710 1.556 25702 8851 1 16 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.693 -0.299 25702 8852 1 16 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.315 -0.023 25702 8853 1 16 . 1 1 63 63 VAL H H 63 7.275 7.275 7.659 -0.384 25702 8854 1 16 . 1 1 64 64 ALA N N 64 122.711 122.711 121.098 1.613 25702 8855 1 16 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.893 -0.103 25702 8856 1 16 . 1 1 64 64 ALA C C 64 178.540 178.540 179.480 -0.940 25702 8857 1 16 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.315 0.570 25702 8858 1 16 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.557 -0.740 25702 8859 1 16 . 1 1 64 64 ALA H H 64 7.264 7.264 7.784 -0.520 25702 8860 1 16 . 1 1 65 65 GLN N N 65 117.988 117.988 118.217 -0.229 25702 8861 1 16 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.051 0.006 25702 8862 1 16 . 1 1 65 65 GLN C C 65 180.544 180.544 177.814 2.730 25702 8863 1 16 . 1 1 65 65 GLN CA C 65 59.009 59.009 58.159 0.850 25702 8864 1 16 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.233 0.068 25702 8865 1 16 . 1 1 65 65 GLN H H 65 8.344 8.344 8.210 0.135 25702 8866 1 16 . 1 1 66 66 LYS N N 66 120.050 120.050 118.958 1.092 25702 8867 1 16 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.026 0.028 25702 8868 1 16 . 1 1 66 66 LYS C C 66 176.954 176.954 177.302 -0.348 25702 8869 1 16 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.006 0.811 25702 8870 1 16 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.004 0.175 25702 8871 1 16 . 1 1 66 66 LYS H H 66 7.971 7.971 7.641 0.330 25702 8872 1 16 . 1 1 67 67 ASN N N 67 114.553 114.553 115.257 -0.704 25702 8873 1 16 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.434 0.342 25702 8874 1 16 . 1 1 67 67 ASN C C 67 171.614 171.614 174.686 -3.072 25702 8875 1 16 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.858 1.222 25702 8876 1 16 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.643 1.466 25702 8877 1 16 . 1 1 67 67 ASN H H 67 7.064 7.064 7.347 -0.283 25702 8878 1 16 . 1 1 68 68 GLU N N 68 114.491 114.491 116.344 -1.853 25702 8879 1 16 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.888 -0.147 25702 8880 1 16 . 1 1 68 68 GLU C C 68 175.660 175.660 173.907 1.753 25702 8881 1 16 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.364 -0.357 25702 8882 1 16 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.426 -1.454 25702 8883 1 16 . 1 1 68 68 GLU H H 68 7.755 7.755 7.928 -0.173 25702 8884 1 16 . 1 1 69 69 VAL N N 69 120.375 120.375 118.248 2.127 25702 8885 1 16 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.484 -0.580 25702 8886 1 16 . 1 1 69 69 VAL C C 69 175.415 175.415 173.913 1.502 25702 8887 1 16 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.259 1.611 25702 8888 1 16 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.576 -1.662 25702 8889 1 16 . 1 1 69 69 VAL H H 69 7.787 7.787 8.000 -0.213 25702 8890 1 16 . 1 1 70 70 SER N N 70 121.558 121.558 123.593 -2.035 25702 8891 1 16 . 1 1 70 70 SER HA H 70 4.488 4.488 4.609 -0.121 25702 8892 1 16 . 1 1 70 70 SER C C 70 172.616 172.616 174.455 -1.839 25702 8893 1 16 . 1 1 70 70 SER CA C 70 57.728 57.728 58.762 -1.034 25702 8894 1 16 . 1 1 70 70 SER CB C 70 64.713 64.713 64.320 0.393 25702 8895 1 16 . 1 1 70 70 SER H H 70 8.565 8.565 8.648 -0.083 25702 8896 1 16 . 1 1 71 71 ALA N N 71 125.848 125.848 124.772 1.076 25702 8897 1 16 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.677 -0.098 25702 8898 1 16 . 1 1 71 71 ALA C C 71 175.531 175.531 175.962 -0.431 25702 8899 1 16 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.476 0.016 25702 8900 1 16 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.006 1.355 25702 8901 1 16 . 1 1 71 71 ALA H H 71 7.861 7.861 8.101 -0.240 25702 8902 1 16 . 1 1 72 72 MET N N 72 118.991 118.991 117.287 1.704 25702 8903 1 16 . 1 1 72 72 MET HA H 72 4.879 4.879 5.008 -0.129 25702 8904 1 16 . 1 1 72 72 MET CA C 72 51.907 51.907 52.076 -0.169 25702 8905 1 16 . 1 1 72 72 MET CB C 72 35.595 35.595 34.060 1.535 25702 8906 1 16 . 1 1 72 72 MET H H 72 8.553 8.553 8.165 0.388 25702 8907 1 16 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.969 0.037 25702 8908 1 16 . 1 1 73 73 PRO C C 73 176.015 176.015 176.349 -0.334 25702 8909 1 16 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.383 0.646 25702 8910 1 16 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.421 0.944 25702 8911 1 16 . 1 1 74 74 THR N N 74 114.577 114.577 118.045 -3.468 25702 8912 1 16 . 1 1 74 74 THR HA H 74 5.013 5.013 5.045 -0.032 25702 8913 1 16 . 1 1 74 74 THR C C 74 171.538 171.538 173.109 -1.571 25702 8914 1 16 . 1 1 74 74 THR CA C 74 63.556 63.556 61.959 1.597 25702 8915 1 16 . 1 1 74 74 THR CB C 74 73.238 73.238 72.430 0.808 25702 8916 1 16 . 1 1 74 74 THR H H 74 7.772 7.772 9.178 -1.406 25702 8917 1 16 . 1 1 75 75 LEU N N 75 131.086 131.086 127.146 3.940 25702 8918 1 16 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.406 0.080 25702 8919 1 16 . 1 1 75 75 LEU C C 75 174.827 174.827 175.446 -0.619 25702 8920 1 16 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.228 -0.906 25702 8921 1 16 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.878 0.271 25702 8922 1 16 . 1 1 75 75 LEU H H 75 9.517 9.517 9.451 0.066 25702 8923 1 16 . 1 1 76 76 LEU N N 76 123.573 123.573 124.851 -1.278 25702 8924 1 16 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.952 -0.049 25702 8925 1 16 . 1 1 76 76 LEU C C 76 174.229 174.229 175.109 -0.880 25702 8926 1 16 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.909 -0.422 25702 8927 1 16 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.324 0.746 25702 8928 1 16 . 1 1 76 76 LEU H H 76 9.214 9.214 9.134 0.080 25702 8929 1 16 . 1 1 77 77 LEU N N 77 123.032 123.032 125.437 -2.405 25702 8930 1 16 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.552 -0.304 25702 8931 1 16 . 1 1 77 77 LEU C C 77 174.961 174.961 175.893 -0.932 25702 8932 1 16 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.425 1.304 25702 8933 1 16 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.678 0.013 25702 8934 1 16 . 1 1 77 77 LEU H H 77 8.189 8.189 9.123 -0.934 25702 8935 1 16 . 1 1 78 78 PHE N N 78 121.929 121.929 122.862 -0.933 25702 8936 1 16 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.836 0.561 25702 8937 1 16 . 1 1 78 78 PHE C C 78 174.427 174.427 174.182 0.245 25702 8938 1 16 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.905 -0.524 25702 8939 1 16 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.139 0.180 25702 8940 1 16 . 1 1 78 78 PHE H H 78 9.748 9.748 9.119 0.629 25702 8941 1 16 . 1 1 79 79 LYS N N 79 117.221 117.221 120.491 -3.270 25702 8942 1 16 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.352 -0.539 25702 8943 1 16 . 1 1 79 79 LYS C C 79 177.709 177.709 176.274 1.435 25702 8944 1 16 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.260 2.162 25702 8945 1 16 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.575 0.695 25702 8946 1 16 . 1 1 79 79 LYS H H 79 8.741 8.741 9.342 -0.601 25702 8947 1 16 . 1 1 80 80 ASN N N 80 125.563 125.563 125.116 0.447 25702 8948 1 16 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.381 -0.076 25702 8949 1 16 . 1 1 80 80 ASN C C 80 175.395 175.395 175.648 -0.253 25702 8950 1 16 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.754 0.715 25702 8951 1 16 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.064 1.607 25702 8952 1 16 . 1 1 80 80 ASN H H 80 8.890 8.890 8.998 -0.108 25702 8953 1 16 . 1 1 81 81 GLY N N 81 102.976 102.976 103.496 -0.520 25702 8954 1 16 . 1 1 81 81 GLY C C 81 173.223 173.223 173.986 -0.763 25702 8955 1 16 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.420 0.225 25702 8956 1 16 . 1 1 81 81 GLY H H 81 8.640 8.640 8.880 -0.240 25702 8957 1 16 . 1 1 82 82 LYS N N 82 119.280 119.280 119.633 -0.353 25702 8958 1 16 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.712 0.011 25702 8959 1 16 . 1 1 82 82 LYS C C 82 174.897 174.897 175.179 -0.282 25702 8960 1 16 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.167 0.188 25702 8961 1 16 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.737 -0.410 25702 8962 1 16 . 1 1 82 82 LYS H H 82 7.583 7.583 7.674 -0.091 25702 8963 1 16 . 1 1 83 83 GLU N N 83 125.460 125.460 120.069 5.391 25702 8964 1 16 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.637 0.222 25702 8965 1 16 . 1 1 83 83 GLU C C 83 177.249 177.249 177.340 -0.091 25702 8966 1 16 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.495 -0.535 25702 8967 1 16 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.232 0.280 25702 8968 1 16 . 1 1 83 83 GLU H H 83 8.818 8.818 8.670 0.148 25702 8969 1 16 . 1 1 84 84 VAL N N 84 121.989 121.989 112.643 9.346 25702 8970 1 16 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.372 0.050 25702 8971 1 16 . 1 1 84 84 VAL C C 84 175.625 175.625 175.007 0.618 25702 8972 1 16 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.810 -0.727 25702 8973 1 16 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.236 -1.145 25702 8974 1 16 . 1 1 84 84 VAL H H 84 9.281 9.281 8.051 1.230 25702 8975 1 16 . 1 1 85 85 ALA N N 85 121.284 121.284 122.651 -1.367 25702 8976 1 16 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.574 -0.175 25702 8977 1 16 . 1 1 85 85 ALA C C 85 173.805 173.805 174.503 -0.698 25702 8978 1 16 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.197 0.459 25702 8979 1 16 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.506 0.481 25702 8980 1 16 . 1 1 85 85 ALA H H 85 7.564 7.564 7.523 0.041 25702 8981 1 16 . 1 1 86 86 LYS N N 86 119.558 119.558 120.895 -1.337 25702 8982 1 16 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.364 -0.418 25702 8983 1 16 . 1 1 86 86 LYS C C 86 174.999 174.999 174.542 0.457 25702 8984 1 16 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.157 0.182 25702 8985 1 16 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.366 0.239 25702 8986 1 16 . 1 1 86 86 LYS H H 86 8.000 8.000 8.205 -0.205 25702 8987 1 16 . 1 1 87 87 VAL N N 87 126.118 126.118 123.762 2.356 25702 8988 1 16 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.397 0.306 25702 8989 1 16 . 1 1 87 87 VAL C C 87 174.516 174.516 174.830 -0.314 25702 8990 1 16 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.530 -0.151 25702 8991 1 16 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.715 -1.528 25702 8992 1 16 . 1 1 87 87 VAL H H 87 9.198 9.198 9.143 0.055 25702 8993 1 16 . 1 1 88 88 VAL N N 88 128.549 128.549 127.635 0.914 25702 8994 1 16 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.589 -0.135 25702 8995 1 16 . 1 1 88 88 VAL C C 88 176.142 176.142 175.054 1.088 25702 8996 1 16 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.079 0.903 25702 8997 1 16 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.927 1.714 25702 8998 1 16 . 1 1 88 88 VAL H H 88 9.031 9.031 8.756 0.275 25702 8999 1 16 . 1 1 89 89 GLY N N 89 114.516 114.516 111.137 3.379 25702 9000 1 16 . 1 1 89 89 GLY C C 89 173.063 173.063 172.551 0.512 25702 9001 1 16 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.440 -1.933 25702 9002 1 16 . 1 1 89 89 GLY H H 89 8.379 8.379 7.370 1.009 25702 9003 1 16 . 1 1 90 90 ALA N N 90 122.292 122.292 124.477 -2.185 25702 9004 1 16 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.275 -0.080 25702 9005 1 16 . 1 1 90 90 ALA C C 90 174.897 174.897 176.817 -1.920 25702 9006 1 16 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.602 -2.163 25702 9007 1 16 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.638 -0.757 25702 9008 1 16 . 1 1 90 90 ALA H H 90 8.592 8.592 8.553 0.039 25702 9009 1 16 . 1 1 91 91 ASN N N 91 120.220 120.220 123.877 -3.657 25702 9010 1 16 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.024 0.087 25702 9011 1 16 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.723 0.289 25702 9012 1 16 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.719 -0.742 25702 9013 1 16 . 1 1 91 91 ASN H H 91 7.386 7.386 8.444 -1.058 25702 9014 1 16 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.277 -0.249 25702 9015 1 16 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.640 -4.543 25702 9016 1 16 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.213 -0.118 25702 9017 1 16 . 1 1 93 93 ALA C C 93 180.205 180.205 179.298 0.907 25702 9018 1 16 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.779 0.387 25702 9019 1 16 . 1 1 93 93 ALA CB C 93 17.981 17.981 17.780 0.201 25702 9020 1 16 . 1 1 94 94 ALA N N 94 120.499 120.499 121.581 -1.082 25702 9021 1 16 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.208 -0.147 25702 9022 1 16 . 1 1 94 94 ALA C C 94 180.917 180.917 180.012 0.905 25702 9023 1 16 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.897 -0.637 25702 9024 1 16 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.387 0.410 25702 9025 1 16 . 1 1 94 94 ALA H H 94 7.223 7.223 8.436 -1.213 25702 9026 1 16 . 1 1 95 95 ILE N N 95 119.397 119.397 117.799 1.598 25702 9027 1 16 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.810 -0.458 25702 9028 1 16 . 1 1 95 95 ILE C C 95 176.217 176.217 177.077 -0.860 25702 9029 1 16 . 1 1 95 95 ILE CA C 95 65.953 65.953 62.078 3.875 25702 9030 1 16 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.725 1.655 25702 9031 1 16 . 1 1 95 95 ILE H H 95 7.772 7.772 8.661 -0.889 25702 9032 1 16 . 1 1 96 96 LYS N N 96 118.919 118.919 122.182 -3.263 25702 9033 1 16 . 1 1 96 96 LYS HA H 96 3.017 3.017 3.837 -0.820 25702 9034 1 16 . 1 1 96 96 LYS C C 96 177.824 177.824 179.143 -1.319 25702 9035 1 16 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.595 1.031 25702 9036 1 16 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.408 -0.243 25702 9037 1 16 . 1 1 96 96 LYS H H 96 8.112 8.112 7.681 0.431 25702 9038 1 16 . 1 1 97 97 GLN N N 97 115.480 115.480 117.259 -1.779 25702 9039 1 16 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.065 -0.213 25702 9040 1 16 . 1 1 97 97 GLN C C 97 178.014 178.014 178.211 -0.197 25702 9041 1 16 . 1 1 97 97 GLN CA C 97 58.583 58.583 57.922 0.661 25702 9042 1 16 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.054 0.290 25702 9043 1 16 . 1 1 97 97 GLN H H 97 7.686 7.686 8.341 -0.655 25702 9044 1 16 . 1 1 98 98 ALA N N 98 120.911 120.911 123.346 -2.435 25702 9045 1 16 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.014 -0.084 25702 9046 1 16 . 1 1 98 98 ALA C C 98 179.544 179.544 180.010 -0.466 25702 9047 1 16 . 1 1 98 98 ALA CA C 98 54.749 54.749 54.904 -0.155 25702 9048 1 16 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.060 -0.145 25702 9049 1 16 . 1 1 98 98 ALA H H 98 7.446 7.446 7.343 0.103 25702 9050 1 16 . 1 1 99 99 ILE N N 99 117.780 117.780 119.144 -1.364 25702 9051 1 16 . 1 1 99 99 ILE HA H 99 3.047 3.047 4.000 -0.953 25702 9052 1 16 . 1 1 99 99 ILE C C 99 177.087 177.087 178.294 -1.207 25702 9053 1 16 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.403 3.056 25702 9054 1 16 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.779 2.353 25702 9055 1 16 . 1 1 99 99 ILE H H 99 7.735 7.735 8.410 -0.675 25702 9056 1 16 . 1 1 100 100 ALA N N 100 119.516 119.516 121.319 -1.803 25702 9057 1 16 . 1 1 100 100 ALA C C 100 180.431 180.431 178.263 2.168 25702 9058 1 16 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.892 1.353 25702 9059 1 16 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.266 0.027 25702 9060 1 16 . 1 1 100 100 ALA H H 100 8.214 8.214 7.444 0.770 25702 9061 1 16 . 1 1 101 101 ALA N N 101 115.674 115.674 121.130 -5.456 25702 9062 1 16 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.261 -0.191 25702 9063 1 16 . 1 1 101 101 ALA C C 101 178.213 178.213 178.856 -0.643 25702 9064 1 16 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.638 0.246 25702 9065 1 16 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.717 -0.674 25702 9066 1 16 . 1 1 101 101 ALA H H 101 7.619 7.619 8.055 -0.436 25702 9067 1 16 . 1 1 102 102 ASN N N 102 115.986 115.986 116.102 -0.116 25702 9068 1 16 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.610 0.174 25702 9069 1 16 . 1 1 102 102 ASN C C 102 172.740 172.740 176.114 -3.374 25702 9070 1 16 . 1 1 102 102 ASN CA C 102 54.300 54.300 53.791 0.509 25702 9071 1 16 . 1 1 102 102 ASN CB C 102 42.889 42.889 38.886 4.003 25702 9072 1 16 . 1 1 102 102 ASN H H 102 7.116 7.116 8.100 -0.984 25702 9073 1 17 . 1 1 2 2 VAL N N 2 125.020 125.020 119.931 5.089 25702 9074 1 17 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.307 -0.229 25702 9075 1 17 . 1 1 2 2 VAL C C 2 175.261 175.261 175.800 -0.539 25702 9076 1 17 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.019 0.030 25702 9077 1 17 . 1 1 2 2 VAL CB C 2 32.667 32.667 34.303 -1.636 25702 9078 1 17 . 1 1 2 2 VAL H H 2 8.590 8.590 8.363 0.227 25702 9079 1 17 . 1 1 3 3 THR N N 3 125.759 125.759 123.640 2.119 25702 9080 1 17 . 1 1 3 3 THR HA H 3 4.138 4.138 4.398 -0.260 25702 9081 1 17 . 1 1 3 3 THR C C 3 173.129 173.129 172.934 0.195 25702 9082 1 17 . 1 1 3 3 THR CA C 3 62.804 62.804 62.275 0.529 25702 9083 1 17 . 1 1 3 3 THR CB C 3 69.547 69.547 69.706 -0.159 25702 9084 1 17 . 1 1 3 3 THR H H 3 7.778 7.778 8.605 -0.827 25702 9085 1 17 . 1 1 4 4 GLN N N 4 127.746 127.746 123.745 4.001 25702 9086 1 17 . 1 1 4 4 GLN HA H 4 4.739 4.739 5.007 -0.268 25702 9087 1 17 . 1 1 4 4 GLN C C 4 176.754 176.754 175.594 1.160 25702 9088 1 17 . 1 1 4 4 GLN CA C 4 54.435 54.435 54.721 -0.286 25702 9089 1 17 . 1 1 4 4 GLN CB C 4 29.530 29.530 30.256 -0.726 25702 9090 1 17 . 1 1 4 4 GLN H H 4 8.975 8.975 8.498 0.477 25702 9091 1 17 . 1 1 5 5 PHE N N 5 126.242 126.242 126.109 0.133 25702 9092 1 17 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.665 0.152 25702 9093 1 17 . 1 1 5 5 PHE C C 5 176.102 176.102 175.563 0.539 25702 9094 1 17 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.890 1.638 25702 9095 1 17 . 1 1 5 5 PHE CB C 5 40.520 40.520 41.477 -0.957 25702 9096 1 17 . 1 1 5 5 PHE H H 5 8.422 8.422 8.215 0.207 25702 9097 1 17 . 1 1 6 6 LYS N N 6 119.482 119.482 116.957 2.525 25702 9098 1 17 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.539 0.082 25702 9099 1 17 . 1 1 6 6 LYS C C 6 176.994 176.994 175.590 1.404 25702 9100 1 17 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.335 -0.320 25702 9101 1 17 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.155 -0.023 25702 9102 1 17 . 1 1 6 6 LYS H H 6 9.822 9.822 8.570 1.252 25702 9103 1 17 . 1 1 7 7 THR N N 7 107.464 107.464 107.322 0.142 25702 9104 1 17 . 1 1 7 7 THR HA H 7 4.597 4.597 4.686 -0.089 25702 9105 1 17 . 1 1 7 7 THR C C 7 173.921 173.921 174.040 -0.119 25702 9106 1 17 . 1 1 7 7 THR CA C 7 59.155 59.155 59.580 -0.425 25702 9107 1 17 . 1 1 7 7 THR CB C 7 72.660 72.660 71.834 0.826 25702 9108 1 17 . 1 1 7 7 THR H H 7 7.484 7.484 7.407 0.077 25702 9109 1 17 . 1 1 8 8 ALA N N 8 123.987 123.987 122.263 1.724 25702 9110 1 17 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.070 -0.361 25702 9111 1 17 . 1 1 8 8 ALA C C 8 179.409 179.409 178.690 0.719 25702 9112 1 17 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.612 0.390 25702 9113 1 17 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.227 -0.137 25702 9114 1 17 . 1 1 8 8 ALA H H 8 9.031 9.031 8.935 0.096 25702 9115 1 17 . 1 1 9 9 SER N N 9 112.387 112.387 114.271 -1.884 25702 9116 1 17 . 1 1 9 9 SER HA H 9 4.127 4.127 4.012 0.115 25702 9117 1 17 . 1 1 9 9 SER C C 9 177.070 177.070 176.589 0.481 25702 9118 1 17 . 1 1 9 9 SER CA C 9 61.109 61.109 61.048 0.061 25702 9119 1 17 . 1 1 9 9 SER CB C 9 62.226 62.226 62.633 -0.407 25702 9120 1 17 . 1 1 9 9 SER H H 9 8.161 8.161 8.140 0.021 25702 9121 1 17 . 1 1 10 10 GLU N N 10 121.941 121.941 121.607 0.334 25702 9122 1 17 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.856 -0.005 25702 9123 1 17 . 1 1 10 10 GLU C C 10 178.776 178.776 178.228 0.548 25702 9124 1 17 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.321 -0.638 25702 9125 1 17 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.010 1.994 25702 9126 1 17 . 1 1 10 10 GLU H H 10 7.522 7.522 7.630 -0.108 25702 9127 1 17 . 1 1 11 11 PHE N N 11 120.541 120.541 119.738 0.803 25702 9128 1 17 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.905 -0.059 25702 9129 1 17 . 1 1 11 11 PHE C C 11 174.944 174.944 176.866 -1.922 25702 9130 1 17 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.883 -0.176 25702 9131 1 17 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.739 -1.001 25702 9132 1 17 . 1 1 11 11 PHE H H 11 6.624 6.624 7.153 -0.529 25702 9133 1 17 . 1 1 12 12 ASP N N 12 117.847 117.847 118.998 -1.151 25702 9134 1 17 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.116 -0.285 25702 9135 1 17 . 1 1 12 12 ASP C C 12 178.767 178.767 178.915 -0.148 25702 9136 1 17 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.838 -0.620 25702 9137 1 17 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.234 0.065 25702 9138 1 17 . 1 1 12 12 ASP H H 12 7.637 7.637 8.415 -0.778 25702 9139 1 17 . 1 1 13 13 SER N N 13 111.904 111.904 115.963 -4.059 25702 9140 1 17 . 1 1 13 13 SER HA H 13 4.034 4.034 4.091 -0.057 25702 9141 1 17 . 1 1 13 13 SER C C 13 176.341 176.341 175.855 0.486 25702 9142 1 17 . 1 1 13 13 SER CA C 13 60.857 60.857 61.116 -0.259 25702 9143 1 17 . 1 1 13 13 SER CB C 13 63.144 63.144 63.168 -0.024 25702 9144 1 17 . 1 1 13 13 SER H H 13 7.539 7.539 8.306 -0.767 25702 9145 1 17 . 1 1 14 14 ALA N N 14 123.793 123.793 121.957 1.836 25702 9146 1 17 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.029 -0.003 25702 9147 1 17 . 1 1 14 14 ALA C C 14 180.358 180.358 179.991 0.367 25702 9148 1 17 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.196 0.644 25702 9149 1 17 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.870 -0.044 25702 9150 1 17 . 1 1 14 14 ALA H H 14 7.647 7.647 7.655 -0.008 25702 9151 1 17 . 1 1 15 15 ILE N N 15 106.782 106.782 119.208 -12.426 25702 9152 1 17 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.641 0.079 25702 9153 1 17 . 1 1 15 15 ILE C C 15 176.012 176.012 177.824 -1.812 25702 9154 1 17 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.676 1.819 25702 9155 1 17 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.242 1.553 25702 9156 1 17 . 1 1 15 15 ILE H H 15 7.146 7.146 7.762 -0.616 25702 9157 1 17 . 1 1 16 16 ALA N N 16 122.248 122.248 118.851 3.397 25702 9158 1 17 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.249 -0.218 25702 9159 1 17 . 1 1 16 16 ALA C C 16 177.072 177.072 176.917 0.155 25702 9160 1 17 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.727 0.022 25702 9161 1 17 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.516 -0.146 25702 9162 1 17 . 1 1 16 16 ALA H H 16 6.627 6.627 7.701 -1.074 25702 9163 1 17 . 1 1 17 17 GLN N N 17 115.254 115.254 118.410 -3.156 25702 9164 1 17 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.255 -0.036 25702 9165 1 17 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.284 0.614 25702 9166 1 17 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.521 4.443 25702 9167 1 17 . 1 1 17 17 GLN H H 17 7.136 7.136 7.345 -0.209 25702 9168 1 17 . 1 1 18 18 ASP N N 18 122.840 122.840 121.843 0.997 25702 9169 1 17 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.566 -0.034 25702 9170 1 17 . 1 1 18 18 ASP C C 18 175.348 175.348 175.387 -0.039 25702 9171 1 17 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.452 -0.942 25702 9172 1 17 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.193 -0.143 25702 9173 1 17 . 1 1 18 18 ASP H H 18 8.644 8.644 8.574 0.070 25702 9174 1 17 . 1 1 19 19 LYS N N 19 118.503 118.503 114.433 4.070 25702 9175 1 17 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.545 -0.162 25702 9176 1 17 . 1 1 19 19 LYS C C 19 173.289 173.289 174.758 -1.469 25702 9177 1 17 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.880 0.841 25702 9178 1 17 . 1 1 19 19 LYS CB C 19 34.216 34.216 35.065 -0.849 25702 9179 1 17 . 1 1 19 19 LYS H H 19 7.939 7.939 7.663 0.276 25702 9180 1 17 . 1 1 20 20 LEU N N 20 120.813 120.813 123.825 -3.012 25702 9181 1 17 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.891 -0.182 25702 9182 1 17 . 1 1 20 20 LEU C C 20 174.429 174.429 175.769 -1.340 25702 9183 1 17 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.501 1.286 25702 9184 1 17 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.923 -0.362 25702 9185 1 17 . 1 1 20 20 LEU H H 20 8.625 8.625 8.748 -0.123 25702 9186 1 17 . 1 1 21 21 VAL N N 21 128.813 128.813 127.520 1.293 25702 9187 1 17 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.277 -0.012 25702 9188 1 17 . 1 1 21 21 VAL C C 21 174.618 174.618 174.780 -0.162 25702 9189 1 17 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.624 -0.042 25702 9190 1 17 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.685 1.892 25702 9191 1 17 . 1 1 21 21 VAL H H 21 9.251 9.251 9.131 0.120 25702 9192 1 17 . 1 1 22 22 VAL N N 22 130.243 130.243 128.486 1.757 25702 9193 1 17 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.381 -0.118 25702 9194 1 17 . 1 1 22 22 VAL C C 22 174.802 174.802 174.569 0.233 25702 9195 1 17 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.036 0.606 25702 9196 1 17 . 1 1 22 22 VAL CB C 22 32.824 32.824 31.231 1.593 25702 9197 1 17 . 1 1 22 22 VAL H H 22 8.969 8.969 9.184 -0.215 25702 9198 1 17 . 1 1 23 23 VAL N N 23 125.526 125.526 128.569 -3.043 25702 9199 1 17 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.874 -0.222 25702 9200 1 17 . 1 1 23 23 VAL C C 23 174.086 174.086 174.738 -0.652 25702 9201 1 17 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.861 0.922 25702 9202 1 17 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.525 0.899 25702 9203 1 17 . 1 1 23 23 VAL H H 23 9.555 9.555 8.890 0.665 25702 9204 1 17 . 1 1 24 24 ALA N N 24 130.468 130.468 131.213 -0.745 25702 9205 1 17 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.962 0.041 25702 9206 1 17 . 1 1 24 24 ALA C C 24 175.093 175.093 175.999 -0.906 25702 9207 1 17 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.680 0.429 25702 9208 1 17 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.756 -0.213 25702 9209 1 17 . 1 1 24 24 ALA H H 24 9.004 9.004 9.465 -0.461 25702 9210 1 17 . 1 1 25 25 PHE N N 25 124.289 124.289 126.470 -2.181 25702 9211 1 17 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.495 -0.476 25702 9212 1 17 . 1 1 25 25 PHE C C 25 174.794 174.794 174.760 0.034 25702 9213 1 17 . 1 1 25 25 PHE CA C 25 57.620 57.620 56.278 1.342 25702 9214 1 17 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.126 -1.361 25702 9215 1 17 . 1 1 25 25 PHE H H 25 9.455 9.455 9.064 0.391 25702 9216 1 17 . 1 1 26 26 TYR N N 26 120.967 120.967 120.950 0.017 25702 9217 1 17 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.875 0.475 25702 9218 1 17 . 1 1 26 26 TYR C C 26 171.352 171.352 172.543 -1.191 25702 9219 1 17 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.987 -1.157 25702 9220 1 17 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.410 2.523 25702 9221 1 17 . 1 1 26 26 TYR H H 26 8.908 8.908 8.426 0.482 25702 9222 1 17 . 1 1 27 27 ALA N N 27 119.133 119.133 120.682 -1.549 25702 9223 1 17 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.379 -0.820 25702 9224 1 17 . 1 1 27 27 ALA C C 27 179.092 179.092 178.013 1.079 25702 9225 1 17 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.187 0.967 25702 9226 1 17 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.806 1.143 25702 9227 1 17 . 1 1 27 27 ALA H H 27 6.962 6.962 8.450 -1.488 25702 9228 1 17 . 1 1 28 28 THR N N 28 116.784 116.784 116.120 0.664 25702 9229 1 17 . 1 1 28 28 THR HA H 28 3.867 3.867 4.237 -0.370 25702 9230 1 17 . 1 1 28 28 THR C C 28 174.957 174.957 175.381 -0.424 25702 9231 1 17 . 1 1 28 28 THR CA C 28 64.820 64.820 64.459 0.361 25702 9232 1 17 . 1 1 28 28 THR CB C 28 69.197 69.197 69.179 0.018 25702 9233 1 17 . 1 1 28 28 THR H H 28 10.053 10.053 9.174 0.879 25702 9234 1 17 . 1 1 29 29 TRP N N 29 114.763 114.763 118.284 -3.521 25702 9235 1 17 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.764 -0.242 25702 9236 1 17 . 1 1 29 29 TRP C C 29 175.478 175.478 175.941 -0.463 25702 9237 1 17 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.194 -1.688 25702 9238 1 17 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.776 0.567 25702 9239 1 17 . 1 1 29 29 TRP H H 29 6.495 6.495 7.408 -0.913 25702 9240 1 17 . 1 1 30 30 CYS N N 30 122.729 122.729 120.381 2.348 25702 9241 1 17 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.481 0.010 25702 9242 1 17 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.799 -0.297 25702 9243 1 17 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.888 -2.240 25702 9244 1 17 . 1 1 30 30 CYS H H 30 6.484 6.484 7.187 -0.703 25702 9245 1 17 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.053 -0.093 25702 9246 1 17 . 1 1 33 33 CYS C C 33 176.605 176.605 175.677 0.928 25702 9247 1 17 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.634 2.929 25702 9248 1 17 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.428 0.799 25702 9249 1 17 . 1 1 34 34 LYS N N 34 120.638 120.638 120.019 0.619 25702 9250 1 17 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.869 0.053 25702 9251 1 17 . 1 1 34 34 LYS C C 34 178.623 178.623 177.314 1.309 25702 9252 1 17 . 1 1 34 34 LYS CA C 34 59.122 59.122 57.866 1.256 25702 9253 1 17 . 1 1 34 34 LYS CB C 34 32.187 32.187 30.971 1.216 25702 9254 1 17 . 1 1 34 34 LYS H H 34 7.828 7.828 7.456 0.372 25702 9255 1 17 . 1 1 35 35 MET N N 35 115.754 115.754 118.132 -2.378 25702 9256 1 17 . 1 1 35 35 MET HA H 35 4.230 4.230 4.312 -0.082 25702 9257 1 17 . 1 1 35 35 MET C C 35 177.927 177.927 177.020 0.907 25702 9258 1 17 . 1 1 35 35 MET CA C 35 56.931 56.931 57.522 -0.591 25702 9259 1 17 . 1 1 35 35 MET CB C 35 32.038 32.038 33.566 -1.528 25702 9260 1 17 . 1 1 35 35 MET H H 35 7.612 7.612 7.632 -0.020 25702 9261 1 17 . 1 1 36 36 ILE N N 36 114.905 114.905 119.855 -4.950 25702 9262 1 17 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.831 0.421 25702 9263 1 17 . 1 1 36 36 ILE C C 36 176.681 176.681 177.254 -0.573 25702 9264 1 17 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.318 -2.175 25702 9265 1 17 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.219 1.666 25702 9266 1 17 . 1 1 36 36 ILE H H 36 7.399 7.399 7.549 -0.150 25702 9267 1 17 . 1 1 37 37 ALA N N 37 125.154 125.154 123.496 1.658 25702 9268 1 17 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.961 0.118 25702 9269 1 17 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.696 0.375 25702 9270 1 17 . 1 1 37 37 ALA CB C 37 15.458 15.458 15.984 -0.526 25702 9271 1 17 . 1 1 37 37 ALA H H 37 7.587 7.587 7.392 0.195 25702 9272 1 17 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.280 -0.041 25702 9273 1 17 . 1 1 38 38 PRO C C 38 179.456 179.456 178.185 1.271 25702 9274 1 17 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.818 0.369 25702 9275 1 17 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.567 -0.804 25702 9276 1 17 . 1 1 39 39 MET N N 39 117.231 117.231 118.341 -1.110 25702 9277 1 17 . 1 1 39 39 MET HA H 39 3.854 3.854 3.835 0.019 25702 9278 1 17 . 1 1 39 39 MET C C 39 177.388 177.388 176.985 0.403 25702 9279 1 17 . 1 1 39 39 MET CA C 39 57.916 57.916 58.757 -0.841 25702 9280 1 17 . 1 1 39 39 MET CB C 39 32.238 32.238 32.284 -0.046 25702 9281 1 17 . 1 1 39 39 MET H H 39 7.051 7.051 7.777 -0.726 25702 9282 1 17 . 1 1 40 40 ILE N N 40 117.419 117.419 119.202 -1.783 25702 9283 1 17 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.264 0.411 25702 9284 1 17 . 1 1 40 40 ILE C C 40 177.699 177.699 177.112 0.587 25702 9285 1 17 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.719 -1.050 25702 9286 1 17 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.117 -2.346 25702 9287 1 17 . 1 1 40 40 ILE H H 40 7.825 7.825 7.353 0.472 25702 9288 1 17 . 1 1 41 41 GLU N N 41 119.014 119.014 119.931 -0.917 25702 9289 1 17 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.769 -0.183 25702 9290 1 17 . 1 1 41 41 GLU C C 41 180.065 180.065 178.237 1.828 25702 9291 1 17 . 1 1 41 41 GLU CA C 41 59.407 59.407 59.364 0.043 25702 9292 1 17 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.281 -0.807 25702 9293 1 17 . 1 1 41 41 GLU H H 41 7.475 7.475 7.584 -0.109 25702 9294 1 17 . 1 1 42 42 LYS N N 42 120.988 120.988 119.151 1.837 25702 9295 1 17 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.901 0.016 25702 9296 1 17 . 1 1 42 42 LYS C C 42 179.895 179.895 178.863 1.032 25702 9297 1 17 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.878 0.156 25702 9298 1 17 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.899 -1.054 25702 9299 1 17 . 1 1 42 42 LYS H H 42 7.402 7.402 7.568 -0.166 25702 9300 1 17 . 1 1 43 43 PHE N N 43 118.946 118.946 118.705 0.241 25702 9301 1 17 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.880 -0.716 25702 9302 1 17 . 1 1 43 43 PHE C C 43 177.806 177.806 177.409 0.397 25702 9303 1 17 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.590 0.432 25702 9304 1 17 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.165 -0.745 25702 9305 1 17 . 1 1 43 43 PHE H H 43 8.270 8.270 7.207 1.063 25702 9306 1 17 . 1 1 44 44 SER N N 44 116.035 116.035 113.472 2.563 25702 9307 1 17 . 1 1 44 44 SER HA H 44 2.873 2.873 4.403 -1.530 25702 9308 1 17 . 1 1 44 44 SER C C 44 175.522 175.522 176.092 -0.570 25702 9309 1 17 . 1 1 44 44 SER CA C 44 60.173 60.173 60.325 -0.152 25702 9310 1 17 . 1 1 44 44 SER CB C 44 61.911 61.911 63.072 -1.161 25702 9311 1 17 . 1 1 44 44 SER H H 44 7.763 7.763 7.699 0.064 25702 9312 1 17 . 1 1 45 45 GLU N N 45 120.563 120.563 121.701 -1.138 25702 9313 1 17 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.940 0.119 25702 9314 1 17 . 1 1 45 45 GLU C C 45 177.798 177.798 177.607 0.191 25702 9315 1 17 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.628 -1.325 25702 9316 1 17 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.407 0.230 25702 9317 1 17 . 1 1 45 45 GLU H H 45 6.888 6.888 7.978 -1.090 25702 9318 1 17 . 1 1 46 46 GLN N N 46 118.400 118.400 117.062 1.338 25702 9319 1 17 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.165 -0.238 25702 9320 1 17 . 1 1 46 46 GLN C C 46 175.422 175.422 176.672 -1.250 25702 9321 1 17 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.386 -0.353 25702 9322 1 17 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.769 -1.079 25702 9323 1 17 . 1 1 46 46 GLN H H 46 7.451 7.451 7.333 0.118 25702 9324 1 17 . 1 1 47 47 TYR N N 47 115.979 115.979 115.157 0.822 25702 9325 1 17 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.107 -0.124 25702 9326 1 17 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.753 2.331 25702 9327 1 17 . 1 1 47 47 TYR CB C 47 38.074 38.074 37.925 0.149 25702 9328 1 17 . 1 1 47 47 TYR H H 47 7.433 7.433 7.579 -0.146 25702 9329 1 17 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.591 0.120 25702 9330 1 17 . 1 1 48 48 PRO C C 48 177.453 177.453 177.460 -0.007 25702 9331 1 17 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.820 0.474 25702 9332 1 17 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.976 -0.106 25702 9333 1 17 . 1 1 49 49 GLN N N 49 119.035 119.035 118.717 0.318 25702 9334 1 17 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.203 0.157 25702 9335 1 17 . 1 1 49 49 GLN C C 49 174.990 174.990 175.220 -0.230 25702 9336 1 17 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.193 -0.733 25702 9337 1 17 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.799 -1.020 25702 9338 1 17 . 1 1 49 49 GLN H H 49 9.617 9.617 8.400 1.217 25702 9339 1 17 . 1 1 50 50 ALA N N 50 127.008 127.008 120.199 6.809 25702 9340 1 17 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.705 0.342 25702 9341 1 17 . 1 1 50 50 ALA C C 50 175.173 175.173 176.571 -1.398 25702 9342 1 17 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.585 -0.536 25702 9343 1 17 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.040 1.126 25702 9344 1 17 . 1 1 50 50 ALA H H 50 8.170 8.170 7.403 0.767 25702 9345 1 17 . 1 1 51 51 ASP N N 51 120.039 120.039 121.417 -1.378 25702 9346 1 17 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.578 0.527 25702 9347 1 17 . 1 1 51 51 ASP C C 51 174.707 174.707 174.900 -0.193 25702 9348 1 17 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.712 -0.709 25702 9349 1 17 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.791 1.482 25702 9350 1 17 . 1 1 51 51 ASP H H 51 8.411 8.411 8.561 -0.150 25702 9351 1 17 . 1 1 52 52 PHE N N 52 120.670 120.670 120.737 -0.067 25702 9352 1 17 . 1 1 52 52 PHE HA H 52 5.179 5.179 4.981 0.198 25702 9353 1 17 . 1 1 52 52 PHE C C 52 174.633 174.633 174.134 0.499 25702 9354 1 17 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.622 1.090 25702 9355 1 17 . 1 1 52 52 PHE CB C 52 41.874 41.874 38.928 2.946 25702 9356 1 17 . 1 1 52 52 PHE H H 52 8.943 8.943 7.391 1.552 25702 9357 1 17 . 1 1 53 53 TYR N N 53 120.949 120.949 123.146 -2.197 25702 9358 1 17 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.497 -0.020 25702 9359 1 17 . 1 1 53 53 TYR C C 53 174.507 174.507 174.257 0.250 25702 9360 1 17 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.669 -0.956 25702 9361 1 17 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.815 3.027 25702 9362 1 17 . 1 1 53 53 TYR H H 53 9.336 9.336 9.078 0.258 25702 9363 1 17 . 1 1 54 54 LYS N N 54 115.771 115.771 119.480 -3.709 25702 9364 1 17 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.330 0.169 25702 9365 1 17 . 1 1 54 54 LYS C C 54 173.200 173.200 173.567 -0.367 25702 9366 1 17 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.969 -1.474 25702 9367 1 17 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.553 -1.597 25702 9368 1 17 . 1 1 54 54 LYS H H 54 8.451 8.451 9.141 -0.690 25702 9369 1 17 . 1 1 55 55 LEU N N 55 123.037 123.037 120.292 2.745 25702 9370 1 17 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.964 -0.493 25702 9371 1 17 . 1 1 55 55 LEU C C 55 172.053 172.053 173.230 -1.177 25702 9372 1 17 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.879 1.507 25702 9373 1 17 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.371 -0.558 25702 9374 1 17 . 1 1 55 55 LEU H H 55 8.783 8.783 8.457 0.326 25702 9375 1 17 . 1 1 56 56 ASP N N 56 126.250 126.250 122.422 3.828 25702 9376 1 17 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.083 -0.926 25702 9377 1 17 . 1 1 56 56 ASP C C 56 178.219 178.219 177.580 0.639 25702 9378 1 17 . 1 1 56 56 ASP CA C 56 52.242 52.242 51.477 0.765 25702 9379 1 17 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.668 -0.920 25702 9380 1 17 . 1 1 56 56 ASP H H 56 8.580 8.580 8.329 0.251 25702 9381 1 17 . 1 1 57 57 VAL N N 57 123.015 123.015 122.504 0.511 25702 9382 1 17 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.113 -0.697 25702 9383 1 17 . 1 1 57 57 VAL C C 57 175.672 175.672 176.390 -0.718 25702 9384 1 17 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.576 0.120 25702 9385 1 17 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.982 -0.979 25702 9386 1 17 . 1 1 57 57 VAL H H 57 8.767 8.767 8.500 0.267 25702 9387 1 17 . 1 1 58 58 ASP N N 58 118.536 118.536 118.762 -0.226 25702 9388 1 17 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.597 0.098 25702 9389 1 17 . 1 1 58 58 ASP C C 58 177.541 177.541 177.745 -0.204 25702 9390 1 17 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.893 -0.734 25702 9391 1 17 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.288 -0.818 25702 9392 1 17 . 1 1 58 58 ASP H H 58 8.653 8.653 8.132 0.521 25702 9393 1 17 . 1 1 59 59 GLU N N 59 119.610 119.610 118.771 0.839 25702 9394 1 17 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.289 0.064 25702 9395 1 17 . 1 1 59 59 GLU C C 59 177.106 177.106 177.339 -0.233 25702 9396 1 17 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.725 -0.356 25702 9397 1 17 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.818 0.882 25702 9398 1 17 . 1 1 59 59 GLU H H 59 7.596 7.596 7.861 -0.265 25702 9399 1 17 . 1 1 60 60 LEU N N 60 121.513 121.513 121.257 0.256 25702 9400 1 17 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.780 0.132 25702 9401 1 17 . 1 1 60 60 LEU C C 60 177.050 177.050 176.828 0.222 25702 9402 1 17 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.633 -1.269 25702 9403 1 17 . 1 1 60 60 LEU CB C 60 41.622 41.622 41.482 0.140 25702 9404 1 17 . 1 1 60 60 LEU H H 60 7.689 7.689 8.041 -0.352 25702 9405 1 17 . 1 1 61 61 GLY N N 61 111.170 111.170 109.944 1.226 25702 9406 1 17 . 1 1 61 61 GLY C C 61 176.313 176.313 175.467 0.846 25702 9407 1 17 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.040 1.183 25702 9408 1 17 . 1 1 61 61 GLY H H 61 8.218 8.218 8.742 -0.524 25702 9409 1 17 . 1 1 62 62 ASP N N 62 119.711 119.711 120.181 -0.470 25702 9410 1 17 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.399 -0.081 25702 9411 1 17 . 1 1 62 62 ASP C C 62 178.935 178.935 177.989 0.946 25702 9412 1 17 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.541 0.138 25702 9413 1 17 . 1 1 62 62 ASP CB C 62 39.263 39.263 39.926 -0.663 25702 9414 1 17 . 1 1 62 62 ASP H H 62 9.141 9.141 8.499 0.642 25702 9415 1 17 . 1 1 63 63 VAL N N 63 120.511 120.511 121.591 -1.080 25702 9416 1 17 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.639 -0.316 25702 9417 1 17 . 1 1 63 63 VAL C C 63 179.266 179.266 177.604 1.662 25702 9418 1 17 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.966 -0.572 25702 9419 1 17 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.525 -0.233 25702 9420 1 17 . 1 1 63 63 VAL H H 63 7.275 7.275 7.177 0.098 25702 9421 1 17 . 1 1 64 64 ALA N N 64 122.711 122.711 120.380 2.331 25702 9422 1 17 . 1 1 64 64 ALA HA H 64 3.790 3.790 4.252 -0.462 25702 9423 1 17 . 1 1 64 64 ALA C C 64 178.540 178.540 179.402 -0.862 25702 9424 1 17 . 1 1 64 64 ALA CA C 64 55.885 55.885 54.696 1.189 25702 9425 1 17 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.512 -0.695 25702 9426 1 17 . 1 1 64 64 ALA H H 64 7.264 7.264 7.774 -0.510 25702 9427 1 17 . 1 1 65 65 GLN N N 65 117.988 117.988 114.963 3.025 25702 9428 1 17 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.205 -0.148 25702 9429 1 17 . 1 1 65 65 GLN C C 65 180.544 180.544 177.973 2.571 25702 9430 1 17 . 1 1 65 65 GLN CA C 65 59.009 59.009 56.953 2.057 25702 9431 1 17 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.753 -0.452 25702 9432 1 17 . 1 1 65 65 GLN H H 65 8.344 8.344 7.830 0.514 25702 9433 1 17 . 1 1 66 66 LYS N N 66 120.050 120.050 120.905 -0.855 25702 9434 1 17 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.040 0.014 25702 9435 1 17 . 1 1 66 66 LYS C C 66 176.954 176.954 177.611 -0.657 25702 9436 1 17 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.362 0.455 25702 9437 1 17 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.254 -0.075 25702 9438 1 17 . 1 1 66 66 LYS H H 66 7.971 7.971 7.693 0.278 25702 9439 1 17 . 1 1 67 67 ASN N N 67 114.553 114.553 114.277 0.276 25702 9440 1 17 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.480 0.296 25702 9441 1 17 . 1 1 67 67 ASN C C 67 171.614 171.614 174.696 -3.082 25702 9442 1 17 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.662 1.418 25702 9443 1 17 . 1 1 67 67 ASN CB C 67 40.109 40.109 37.650 2.459 25702 9444 1 17 . 1 1 67 67 ASN H H 67 7.064 7.064 7.638 -0.574 25702 9445 1 17 . 1 1 68 68 GLU N N 68 114.491 114.491 113.655 0.836 25702 9446 1 17 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.901 -0.160 25702 9447 1 17 . 1 1 68 68 GLU C C 68 175.660 175.660 174.774 0.886 25702 9448 1 17 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.025 -0.019 25702 9449 1 17 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.055 -1.083 25702 9450 1 17 . 1 1 68 68 GLU H H 68 7.755 7.755 7.543 0.212 25702 9451 1 17 . 1 1 69 69 VAL N N 69 120.375 120.375 119.151 1.224 25702 9452 1 17 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.083 -0.179 25702 9453 1 17 . 1 1 69 69 VAL C C 69 175.415 175.415 174.862 0.553 25702 9454 1 17 . 1 1 69 69 VAL CA C 69 62.870 62.870 63.078 -0.208 25702 9455 1 17 . 1 1 69 69 VAL CB C 69 30.914 30.914 31.824 -0.910 25702 9456 1 17 . 1 1 69 69 VAL H H 69 7.787 7.787 7.745 0.042 25702 9457 1 17 . 1 1 70 70 SER N N 70 121.558 121.558 123.555 -1.997 25702 9458 1 17 . 1 1 70 70 SER HA H 70 4.488 4.488 4.641 -0.153 25702 9459 1 17 . 1 1 70 70 SER C C 70 172.616 172.616 174.236 -1.620 25702 9460 1 17 . 1 1 70 70 SER CA C 70 57.728 57.728 58.756 -1.028 25702 9461 1 17 . 1 1 70 70 SER CB C 70 64.713 64.713 64.320 0.393 25702 9462 1 17 . 1 1 70 70 SER H H 70 8.565 8.565 8.497 0.068 25702 9463 1 17 . 1 1 71 71 ALA N N 71 125.848 125.848 124.793 1.055 25702 9464 1 17 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.668 -0.089 25702 9465 1 17 . 1 1 71 71 ALA C C 71 175.531 175.531 175.866 -0.335 25702 9466 1 17 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.636 -0.144 25702 9467 1 17 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.621 0.741 25702 9468 1 17 . 1 1 71 71 ALA H H 71 7.861 7.861 7.919 -0.058 25702 9469 1 17 . 1 1 72 72 MET N N 72 118.991 118.991 120.906 -1.915 25702 9470 1 17 . 1 1 72 72 MET HA H 72 4.879 4.879 5.038 -0.159 25702 9471 1 17 . 1 1 72 72 MET CA C 72 51.907 51.907 52.170 -0.263 25702 9472 1 17 . 1 1 72 72 MET CB C 72 35.595 35.595 35.554 0.041 25702 9473 1 17 . 1 1 72 72 MET H H 72 8.553 8.553 8.520 0.033 25702 9474 1 17 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.939 0.067 25702 9475 1 17 . 1 1 73 73 PRO C C 73 176.015 176.015 176.254 -0.239 25702 9476 1 17 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.175 0.854 25702 9477 1 17 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.246 1.119 25702 9478 1 17 . 1 1 74 74 THR N N 74 114.577 114.577 116.643 -2.066 25702 9479 1 17 . 1 1 74 74 THR HA H 74 5.013 5.013 5.037 -0.024 25702 9480 1 17 . 1 1 74 74 THR C C 74 171.538 171.538 173.100 -1.562 25702 9481 1 17 . 1 1 74 74 THR CA C 74 63.556 63.556 62.068 1.488 25702 9482 1 17 . 1 1 74 74 THR CB C 74 73.238 73.238 72.445 0.793 25702 9483 1 17 . 1 1 74 74 THR H H 74 7.772 7.772 9.153 -1.381 25702 9484 1 17 . 1 1 75 75 LEU N N 75 131.086 131.086 125.838 5.248 25702 9485 1 17 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.379 0.107 25702 9486 1 17 . 1 1 75 75 LEU C C 75 174.827 174.827 175.316 -0.489 25702 9487 1 17 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.196 -0.874 25702 9488 1 17 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.872 0.277 25702 9489 1 17 . 1 1 75 75 LEU H H 75 9.517 9.517 9.398 0.119 25702 9490 1 17 . 1 1 76 76 LEU N N 76 123.573 123.573 125.345 -1.772 25702 9491 1 17 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.960 -0.057 25702 9492 1 17 . 1 1 76 76 LEU C C 76 174.229 174.229 175.150 -0.921 25702 9493 1 17 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.863 -0.376 25702 9494 1 17 . 1 1 76 76 LEU CB C 76 46.070 46.070 44.951 1.119 25702 9495 1 17 . 1 1 76 76 LEU H H 76 9.214 9.214 9.270 -0.056 25702 9496 1 17 . 1 1 77 77 LEU N N 77 123.032 123.032 125.707 -2.675 25702 9497 1 17 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.610 -0.362 25702 9498 1 17 . 1 1 77 77 LEU C C 77 174.961 174.961 175.929 -0.968 25702 9499 1 17 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.534 1.195 25702 9500 1 17 . 1 1 77 77 LEU CB C 77 42.691 42.691 43.214 -0.523 25702 9501 1 17 . 1 1 77 77 LEU H H 77 8.189 8.189 9.039 -0.850 25702 9502 1 17 . 1 1 78 78 PHE N N 78 121.929 121.929 122.523 -0.594 25702 9503 1 17 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.891 0.506 25702 9504 1 17 . 1 1 78 78 PHE C C 78 174.427 174.427 174.610 -0.183 25702 9505 1 17 . 1 1 78 78 PHE CA C 78 56.381 56.381 57.041 -0.660 25702 9506 1 17 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.130 0.188 25702 9507 1 17 . 1 1 78 78 PHE H H 78 9.748 9.748 8.862 0.886 25702 9508 1 17 . 1 1 79 79 LYS N N 79 117.221 117.221 121.340 -4.119 25702 9509 1 17 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.159 -0.346 25702 9510 1 17 . 1 1 79 79 LYS C C 79 177.709 177.709 176.512 1.197 25702 9511 1 17 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.418 2.004 25702 9512 1 17 . 1 1 79 79 LYS CB C 79 36.270 36.270 34.649 1.621 25702 9513 1 17 . 1 1 79 79 LYS H H 79 8.741 8.741 9.104 -0.363 25702 9514 1 17 . 1 1 80 80 ASN N N 80 125.563 125.563 125.651 -0.088 25702 9515 1 17 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.482 -0.177 25702 9516 1 17 . 1 1 80 80 ASN C C 80 175.395 175.395 175.409 -0.014 25702 9517 1 17 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.902 0.567 25702 9518 1 17 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.914 0.757 25702 9519 1 17 . 1 1 80 80 ASN H H 80 8.890 8.890 9.003 -0.113 25702 9520 1 17 . 1 1 81 81 GLY N N 81 102.976 102.976 103.719 -0.743 25702 9521 1 17 . 1 1 81 81 GLY C C 81 173.223 173.223 173.689 -0.466 25702 9522 1 17 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.322 0.323 25702 9523 1 17 . 1 1 81 81 GLY H H 81 8.640 8.640 8.589 0.051 25702 9524 1 17 . 1 1 82 82 LYS N N 82 119.280 119.280 119.670 -0.390 25702 9525 1 17 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.805 -0.082 25702 9526 1 17 . 1 1 82 82 LYS C C 82 174.897 174.897 174.764 0.133 25702 9527 1 17 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.270 0.085 25702 9528 1 17 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.431 -0.103 25702 9529 1 17 . 1 1 82 82 LYS H H 82 7.583 7.583 7.667 -0.084 25702 9530 1 17 . 1 1 83 83 GLU N N 83 125.460 125.460 119.859 5.601 25702 9531 1 17 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.482 0.377 25702 9532 1 17 . 1 1 83 83 GLU C C 83 177.249 177.249 177.041 0.208 25702 9533 1 17 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.333 -0.374 25702 9534 1 17 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.292 0.220 25702 9535 1 17 . 1 1 83 83 GLU H H 83 8.818 8.818 8.663 0.155 25702 9536 1 17 . 1 1 84 84 VAL N N 84 121.989 121.989 113.764 8.225 25702 9537 1 17 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.378 0.044 25702 9538 1 17 . 1 1 84 84 VAL C C 84 175.625 175.625 175.037 0.588 25702 9539 1 17 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.965 -0.882 25702 9540 1 17 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.355 -1.264 25702 9541 1 17 . 1 1 84 84 VAL H H 84 9.281 9.281 8.247 1.034 25702 9542 1 17 . 1 1 85 85 ALA N N 85 121.284 121.284 122.838 -1.554 25702 9543 1 17 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.573 -0.174 25702 9544 1 17 . 1 1 85 85 ALA C C 85 173.805 173.805 174.619 -0.814 25702 9545 1 17 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.057 0.599 25702 9546 1 17 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.686 0.301 25702 9547 1 17 . 1 1 85 85 ALA H H 85 7.564 7.564 7.451 0.113 25702 9548 1 17 . 1 1 86 86 LYS N N 86 119.558 119.558 122.354 -2.796 25702 9549 1 17 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.339 -0.393 25702 9550 1 17 . 1 1 86 86 LYS C C 86 174.999 174.999 174.682 0.317 25702 9551 1 17 . 1 1 86 86 LYS CA C 86 55.339 55.339 56.044 -0.705 25702 9552 1 17 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.157 0.448 25702 9553 1 17 . 1 1 86 86 LYS H H 86 8.000 8.000 8.286 -0.286 25702 9554 1 17 . 1 1 87 87 VAL N N 87 126.118 126.118 126.784 -0.666 25702 9555 1 17 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.454 0.249 25702 9556 1 17 . 1 1 87 87 VAL C C 87 174.516 174.516 175.289 -0.773 25702 9557 1 17 . 1 1 87 87 VAL CA C 87 61.379 61.379 60.957 0.422 25702 9558 1 17 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.502 -1.315 25702 9559 1 17 . 1 1 87 87 VAL H H 87 9.198 9.198 9.192 0.006 25702 9560 1 17 . 1 1 88 88 VAL N N 88 128.549 128.549 121.673 6.876 25702 9561 1 17 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.636 -0.182 25702 9562 1 17 . 1 1 88 88 VAL C C 88 176.142 176.142 175.419 0.723 25702 9563 1 17 . 1 1 88 88 VAL CA C 88 61.982 61.982 59.976 2.006 25702 9564 1 17 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.251 2.390 25702 9565 1 17 . 1 1 88 88 VAL H H 88 9.031 9.031 8.617 0.414 25702 9566 1 17 . 1 1 89 89 GLY N N 89 114.516 114.516 108.402 6.114 25702 9567 1 17 . 1 1 89 89 GLY C C 89 173.063 173.063 173.084 -0.021 25702 9568 1 17 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.378 -1.872 25702 9569 1 17 . 1 1 89 89 GLY H H 89 8.379 8.379 7.261 1.118 25702 9570 1 17 . 1 1 90 90 ALA N N 90 122.292 122.292 124.735 -2.443 25702 9571 1 17 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.199 -0.004 25702 9572 1 17 . 1 1 90 90 ALA C C 90 174.897 174.897 176.921 -2.024 25702 9573 1 17 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.899 -2.460 25702 9574 1 17 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.390 -0.509 25702 9575 1 17 . 1 1 90 90 ALA H H 90 8.592 8.592 8.525 0.067 25702 9576 1 17 . 1 1 91 91 ASN N N 91 120.220 120.220 125.146 -4.926 25702 9577 1 17 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.132 -0.021 25702 9578 1 17 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.789 0.223 25702 9579 1 17 . 1 1 91 91 ASN CB C 91 38.978 38.978 40.239 -1.261 25702 9580 1 17 . 1 1 91 91 ASN H H 91 7.386 7.386 8.413 -1.027 25702 9581 1 17 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.194 -0.166 25702 9582 1 17 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.675 -4.578 25702 9583 1 17 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.135 -0.040 25702 9584 1 17 . 1 1 93 93 ALA C C 93 180.205 180.205 179.556 0.649 25702 9585 1 17 . 1 1 93 93 ALA CA C 93 55.166 55.166 55.085 0.081 25702 9586 1 17 . 1 1 93 93 ALA CB C 93 17.981 17.981 17.760 0.221 25702 9587 1 17 . 1 1 94 94 ALA N N 94 120.499 120.499 121.486 -0.987 25702 9588 1 17 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.211 -0.150 25702 9589 1 17 . 1 1 94 94 ALA C C 94 180.917 180.917 180.014 0.903 25702 9590 1 17 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.846 -0.586 25702 9591 1 17 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.373 0.425 25702 9592 1 17 . 1 1 94 94 ALA H H 94 7.223 7.223 8.421 -1.198 25702 9593 1 17 . 1 1 95 95 ILE N N 95 119.397 119.397 117.699 1.698 25702 9594 1 17 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.772 -0.420 25702 9595 1 17 . 1 1 95 95 ILE C C 95 176.217 176.217 177.481 -1.264 25702 9596 1 17 . 1 1 95 95 ILE CA C 95 65.953 65.953 61.903 4.050 25702 9597 1 17 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.716 1.664 25702 9598 1 17 . 1 1 95 95 ILE H H 95 7.772 7.772 8.655 -0.883 25702 9599 1 17 . 1 1 96 96 LYS N N 96 118.919 118.919 121.902 -2.983 25702 9600 1 17 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.023 -1.006 25702 9601 1 17 . 1 1 96 96 LYS C C 96 177.824 177.824 179.476 -1.652 25702 9602 1 17 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.686 0.940 25702 9603 1 17 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.219 -0.054 25702 9604 1 17 . 1 1 96 96 LYS H H 96 8.112 8.112 8.135 -0.023 25702 9605 1 17 . 1 1 97 97 GLN N N 97 115.480 115.480 118.258 -2.778 25702 9606 1 17 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.024 -0.172 25702 9607 1 17 . 1 1 97 97 GLN C C 97 178.014 178.014 177.774 0.240 25702 9608 1 17 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.323 0.260 25702 9609 1 17 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.139 0.205 25702 9610 1 17 . 1 1 97 97 GLN H H 97 7.686 7.686 8.244 -0.558 25702 9611 1 17 . 1 1 98 98 ALA N N 98 120.911 120.911 123.294 -2.383 25702 9612 1 17 . 1 1 98 98 ALA HA H 98 3.930 3.930 3.992 -0.062 25702 9613 1 17 . 1 1 98 98 ALA C C 98 179.544 179.544 179.515 0.029 25702 9614 1 17 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.082 -0.333 25702 9615 1 17 . 1 1 98 98 ALA CB C 98 17.915 17.915 17.942 -0.026 25702 9616 1 17 . 1 1 98 98 ALA H H 98 7.446 7.446 7.385 0.061 25702 9617 1 17 . 1 1 99 99 ILE N N 99 117.780 117.780 117.972 -0.192 25702 9618 1 17 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.621 -0.574 25702 9619 1 17 . 1 1 99 99 ILE C C 99 177.087 177.087 178.344 -1.257 25702 9620 1 17 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.756 2.703 25702 9621 1 17 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.989 2.143 25702 9622 1 17 . 1 1 99 99 ILE H H 99 7.735 7.735 8.302 -0.567 25702 9623 1 17 . 1 1 100 100 ALA N N 100 119.516 119.516 121.343 -1.827 25702 9624 1 17 . 1 1 100 100 ALA C C 100 180.431 180.431 178.802 1.629 25702 9625 1 17 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.065 1.180 25702 9626 1 17 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.236 0.056 25702 9627 1 17 . 1 1 100 100 ALA H H 100 8.214 8.214 7.458 0.756 25702 9628 1 17 . 1 1 101 101 ALA N N 101 115.674 115.674 121.590 -5.916 25702 9629 1 17 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.062 0.008 25702 9630 1 17 . 1 1 101 101 ALA C C 101 178.213 178.213 179.282 -1.069 25702 9631 1 17 . 1 1 101 101 ALA CA C 101 53.884 53.884 54.076 -0.192 25702 9632 1 17 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.325 -0.282 25702 9633 1 17 . 1 1 101 101 ALA H H 101 7.619 7.619 7.820 -0.201 25702 9634 1 17 . 1 1 102 102 ASN N N 102 115.986 115.986 114.366 1.620 25702 9635 1 17 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.583 0.201 25702 9636 1 17 . 1 1 102 102 ASN C C 102 172.740 172.740 175.639 -2.899 25702 9637 1 17 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.135 0.166 25702 9638 1 17 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.322 3.567 25702 9639 1 17 . 1 1 102 102 ASN H H 102 7.116 7.116 8.465 -1.349 25702 9640 1 18 . 1 1 2 2 VAL N N 2 125.020 125.020 125.474 -0.454 25702 9641 1 18 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.079 -0.001 25702 9642 1 18 . 1 1 2 2 VAL C C 2 175.261 175.261 175.952 -0.691 25702 9643 1 18 . 1 1 2 2 VAL CA C 2 61.049 61.049 62.134 -1.085 25702 9644 1 18 . 1 1 2 2 VAL CB C 2 32.667 32.667 32.312 0.355 25702 9645 1 18 . 1 1 2 2 VAL H H 2 8.590 8.590 8.344 0.246 25702 9646 1 18 . 1 1 3 3 THR N N 3 125.759 125.759 124.696 1.063 25702 9647 1 18 . 1 1 3 3 THR HA H 3 4.138 4.138 4.290 -0.152 25702 9648 1 18 . 1 1 3 3 THR C C 3 173.129 173.129 173.252 -0.123 25702 9649 1 18 . 1 1 3 3 THR CA C 3 62.804 62.804 63.018 -0.214 25702 9650 1 18 . 1 1 3 3 THR CB C 3 69.547 69.547 69.797 -0.250 25702 9651 1 18 . 1 1 3 3 THR H H 3 7.778 7.778 8.349 -0.571 25702 9652 1 18 . 1 1 4 4 GLN N N 4 127.746 127.746 124.960 2.786 25702 9653 1 18 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.762 -0.023 25702 9654 1 18 . 1 1 4 4 GLN C C 4 176.754 176.754 175.580 1.174 25702 9655 1 18 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.100 -0.665 25702 9656 1 18 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.685 -0.155 25702 9657 1 18 . 1 1 4 4 GLN H H 4 8.975 8.975 8.580 0.395 25702 9658 1 18 . 1 1 5 5 PHE N N 5 126.242 126.242 127.202 -0.960 25702 9659 1 18 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.614 0.203 25702 9660 1 18 . 1 1 5 5 PHE C C 5 176.102 176.102 175.864 0.238 25702 9661 1 18 . 1 1 5 5 PHE CA C 5 58.528 58.528 57.304 1.224 25702 9662 1 18 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.102 0.418 25702 9663 1 18 . 1 1 5 5 PHE H H 5 8.422 8.422 8.809 -0.387 25702 9664 1 18 . 1 1 6 6 LYS N N 6 119.482 119.482 115.663 3.819 25702 9665 1 18 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.521 0.100 25702 9666 1 18 . 1 1 6 6 LYS C C 6 176.994 176.994 175.401 1.593 25702 9667 1 18 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.201 -0.186 25702 9668 1 18 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.617 -0.485 25702 9669 1 18 . 1 1 6 6 LYS H H 6 9.822 9.822 8.615 1.207 25702 9670 1 18 . 1 1 7 7 THR N N 7 107.464 107.464 109.169 -1.705 25702 9671 1 18 . 1 1 7 7 THR HA H 7 4.597 4.597 4.564 0.033 25702 9672 1 18 . 1 1 7 7 THR C C 7 173.921 173.921 174.118 -0.197 25702 9673 1 18 . 1 1 7 7 THR CA C 7 59.155 59.155 60.609 -1.454 25702 9674 1 18 . 1 1 7 7 THR CB C 7 72.660 72.660 71.330 1.330 25702 9675 1 18 . 1 1 7 7 THR H H 7 7.484 7.484 7.391 0.094 25702 9676 1 18 . 1 1 8 8 ALA N N 8 123.987 123.987 122.765 1.222 25702 9677 1 18 . 1 1 8 8 ALA HA H 8 3.709 3.709 3.977 -0.268 25702 9678 1 18 . 1 1 8 8 ALA C C 8 179.409 179.409 179.127 0.282 25702 9679 1 18 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.994 0.008 25702 9680 1 18 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.019 0.071 25702 9681 1 18 . 1 1 8 8 ALA H H 8 9.031 9.031 8.836 0.195 25702 9682 1 18 . 1 1 9 9 SER N N 9 112.387 112.387 115.186 -2.799 25702 9683 1 18 . 1 1 9 9 SER HA H 9 4.127 4.127 4.112 0.015 25702 9684 1 18 . 1 1 9 9 SER C C 9 177.070 177.070 176.748 0.322 25702 9685 1 18 . 1 1 9 9 SER CA C 9 61.109 61.109 61.219 -0.110 25702 9686 1 18 . 1 1 9 9 SER CB C 9 62.226 62.226 62.241 -0.015 25702 9687 1 18 . 1 1 9 9 SER H H 9 8.161 8.161 8.519 -0.358 25702 9688 1 18 . 1 1 10 10 GLU N N 10 121.941 121.941 121.590 0.351 25702 9689 1 18 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.918 -0.067 25702 9690 1 18 . 1 1 10 10 GLU C C 10 178.776 178.776 178.019 0.757 25702 9691 1 18 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.063 -0.380 25702 9692 1 18 . 1 1 10 10 GLU CB C 10 31.004 31.004 28.755 2.249 25702 9693 1 18 . 1 1 10 10 GLU H H 10 7.522 7.522 8.433 -0.911 25702 9694 1 18 . 1 1 11 11 PHE N N 11 120.541 120.541 119.545 0.996 25702 9695 1 18 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.860 -0.014 25702 9696 1 18 . 1 1 11 11 PHE C C 11 174.944 174.944 177.004 -2.060 25702 9697 1 18 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.766 -0.059 25702 9698 1 18 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.881 -1.143 25702 9699 1 18 . 1 1 11 11 PHE H H 11 6.624 6.624 7.135 -0.511 25702 9700 1 18 . 1 1 12 12 ASP N N 12 117.847 117.847 118.336 -0.489 25702 9701 1 18 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.202 -0.371 25702 9702 1 18 . 1 1 12 12 ASP C C 12 178.767 178.767 178.586 0.181 25702 9703 1 18 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.631 -0.413 25702 9704 1 18 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.724 -0.425 25702 9705 1 18 . 1 1 12 12 ASP H H 12 7.637 7.637 8.630 -0.993 25702 9706 1 18 . 1 1 13 13 SER N N 13 111.904 111.904 115.801 -3.897 25702 9707 1 18 . 1 1 13 13 SER HA H 13 4.034 4.034 4.048 -0.014 25702 9708 1 18 . 1 1 13 13 SER C C 13 176.341 176.341 175.728 0.613 25702 9709 1 18 . 1 1 13 13 SER CA C 13 60.857 60.857 61.749 -0.892 25702 9710 1 18 . 1 1 13 13 SER CB C 13 63.144 63.144 63.049 0.095 25702 9711 1 18 . 1 1 13 13 SER H H 13 7.539 7.539 8.035 -0.496 25702 9712 1 18 . 1 1 14 14 ALA N N 14 123.793 123.793 121.912 1.881 25702 9713 1 18 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.009 0.018 25702 9714 1 18 . 1 1 14 14 ALA C C 14 180.358 180.358 179.700 0.658 25702 9715 1 18 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.302 0.538 25702 9716 1 18 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.586 0.240 25702 9717 1 18 . 1 1 14 14 ALA H H 14 7.647 7.647 7.384 0.263 25702 9718 1 18 . 1 1 15 15 ILE N N 15 106.782 106.782 119.239 -12.457 25702 9719 1 18 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.629 0.091 25702 9720 1 18 . 1 1 15 15 ILE C C 15 176.012 176.012 177.920 -1.908 25702 9721 1 18 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.996 1.499 25702 9722 1 18 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.190 1.605 25702 9723 1 18 . 1 1 15 15 ILE H H 15 7.146 7.146 7.824 -0.678 25702 9724 1 18 . 1 1 16 16 ALA N N 16 122.248 122.248 119.096 3.152 25702 9725 1 18 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.278 -0.247 25702 9726 1 18 . 1 1 16 16 ALA C C 16 177.072 177.072 177.015 0.057 25702 9727 1 18 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.854 -0.104 25702 9728 1 18 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.264 0.106 25702 9729 1 18 . 1 1 16 16 ALA H H 16 6.627 6.627 7.460 -0.833 25702 9730 1 18 . 1 1 17 17 GLN N N 17 115.254 115.254 119.067 -3.813 25702 9731 1 18 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.253 -0.034 25702 9732 1 18 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.672 0.226 25702 9733 1 18 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.840 4.123 25702 9734 1 18 . 1 1 17 17 GLN H H 17 7.136 7.136 7.282 -0.146 25702 9735 1 18 . 1 1 18 18 ASP N N 18 122.840 122.840 126.237 -3.397 25702 9736 1 18 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.626 -0.094 25702 9737 1 18 . 1 1 18 18 ASP C C 18 175.348 175.348 175.389 -0.041 25702 9738 1 18 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.554 -1.044 25702 9739 1 18 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.316 -0.266 25702 9740 1 18 . 1 1 18 18 ASP H H 18 8.644 8.644 8.603 0.041 25702 9741 1 18 . 1 1 19 19 LYS N N 19 118.503 118.503 115.469 3.034 25702 9742 1 18 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.440 -0.057 25702 9743 1 18 . 1 1 19 19 LYS C C 19 173.289 173.289 174.579 -1.290 25702 9744 1 18 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.619 0.102 25702 9745 1 18 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.373 -0.157 25702 9746 1 18 . 1 1 19 19 LYS H H 19 7.939 7.939 7.935 0.004 25702 9747 1 18 . 1 1 20 20 LEU N N 20 120.813 120.813 124.000 -3.187 25702 9748 1 18 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.844 -0.135 25702 9749 1 18 . 1 1 20 20 LEU C C 20 174.429 174.429 175.813 -1.384 25702 9750 1 18 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.992 0.795 25702 9751 1 18 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.285 0.276 25702 9752 1 18 . 1 1 20 20 LEU H H 20 8.625 8.625 8.772 -0.147 25702 9753 1 18 . 1 1 21 21 VAL N N 21 128.813 128.813 127.984 0.829 25702 9754 1 18 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.353 -0.088 25702 9755 1 18 . 1 1 21 21 VAL C C 21 174.618 174.618 174.999 -0.381 25702 9756 1 18 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.615 -0.032 25702 9757 1 18 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.830 1.747 25702 9758 1 18 . 1 1 21 21 VAL H H 21 9.251 9.251 9.087 0.164 25702 9759 1 18 . 1 1 22 22 VAL N N 22 130.243 130.243 127.453 2.790 25702 9760 1 18 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.690 -0.427 25702 9761 1 18 . 1 1 22 22 VAL C C 22 174.802 174.802 174.634 0.168 25702 9762 1 18 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.048 0.594 25702 9763 1 18 . 1 1 22 22 VAL CB C 22 32.824 32.824 33.555 -0.731 25702 9764 1 18 . 1 1 22 22 VAL H H 22 8.969 8.969 9.179 -0.210 25702 9765 1 18 . 1 1 23 23 VAL N N 23 125.526 125.526 127.684 -2.158 25702 9766 1 18 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.878 -0.226 25702 9767 1 18 . 1 1 23 23 VAL C C 23 174.086 174.086 174.487 -0.401 25702 9768 1 18 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.275 1.508 25702 9769 1 18 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.749 0.675 25702 9770 1 18 . 1 1 23 23 VAL H H 23 9.555 9.555 9.032 0.523 25702 9771 1 18 . 1 1 24 24 ALA N N 24 130.468 130.468 129.802 0.666 25702 9772 1 18 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.833 0.170 25702 9773 1 18 . 1 1 24 24 ALA C C 24 175.093 175.093 176.111 -1.018 25702 9774 1 18 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.154 0.955 25702 9775 1 18 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.573 -0.030 25702 9776 1 18 . 1 1 24 24 ALA H H 24 9.004 9.004 9.076 -0.072 25702 9777 1 18 . 1 1 25 25 PHE N N 25 124.289 124.289 124.980 -0.691 25702 9778 1 18 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.564 -0.545 25702 9779 1 18 . 1 1 25 25 PHE C C 25 174.794 174.794 175.897 -1.103 25702 9780 1 18 . 1 1 25 25 PHE CA C 25 57.620 57.620 56.639 0.981 25702 9781 1 18 . 1 1 25 25 PHE CB C 25 39.765 39.765 39.872 -0.107 25702 9782 1 18 . 1 1 25 25 PHE H H 25 9.455 9.455 8.653 0.802 25702 9783 1 18 . 1 1 26 26 TYR N N 26 120.967 120.967 118.067 2.900 25702 9784 1 18 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.876 0.475 25702 9785 1 18 . 1 1 26 26 TYR C C 26 171.352 171.352 172.755 -1.403 25702 9786 1 18 . 1 1 26 26 TYR CA C 26 54.831 54.831 56.502 -1.671 25702 9787 1 18 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.369 2.565 25702 9788 1 18 . 1 1 26 26 TYR H H 26 8.908 8.908 8.664 0.244 25702 9789 1 18 . 1 1 27 27 ALA N N 27 119.133 119.133 121.165 -2.032 25702 9790 1 18 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.745 -0.186 25702 9791 1 18 . 1 1 27 27 ALA C C 27 179.092 179.092 177.641 1.451 25702 9792 1 18 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.537 -0.383 25702 9793 1 18 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.494 1.456 25702 9794 1 18 . 1 1 27 27 ALA H H 27 6.962 6.962 8.369 -1.407 25702 9795 1 18 . 1 1 28 28 THR N N 28 116.784 116.784 115.390 1.394 25702 9796 1 18 . 1 1 28 28 THR HA H 28 3.867 3.867 4.121 -0.254 25702 9797 1 18 . 1 1 28 28 THR C C 28 174.957 174.957 175.220 -0.263 25702 9798 1 18 . 1 1 28 28 THR CA C 28 64.820 64.820 64.738 0.082 25702 9799 1 18 . 1 1 28 28 THR CB C 28 69.197 69.197 69.069 0.128 25702 9800 1 18 . 1 1 28 28 THR H H 28 10.053 10.053 8.875 1.178 25702 9801 1 18 . 1 1 29 29 TRP N N 29 114.763 114.763 117.814 -3.051 25702 9802 1 18 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.817 -0.295 25702 9803 1 18 . 1 1 29 29 TRP C C 29 175.478 175.478 175.690 -0.212 25702 9804 1 18 . 1 1 29 29 TRP CA C 29 53.505 53.505 54.814 -1.309 25702 9805 1 18 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.755 0.589 25702 9806 1 18 . 1 1 29 29 TRP H H 29 6.495 6.495 7.085 -0.590 25702 9807 1 18 . 1 1 30 30 CYS N N 30 122.729 122.729 121.185 1.544 25702 9808 1 18 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.593 -0.102 25702 9809 1 18 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.355 0.147 25702 9810 1 18 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.862 -2.214 25702 9811 1 18 . 1 1 30 30 CYS H H 30 6.484 6.484 7.285 -0.801 25702 9812 1 18 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.032 -0.072 25702 9813 1 18 . 1 1 33 33 CYS C C 33 176.605 176.605 175.904 0.701 25702 9814 1 18 . 1 1 33 33 CYS CA C 33 63.563 63.563 62.289 1.274 25702 9815 1 18 . 1 1 33 33 CYS CB C 33 28.227 28.227 26.994 1.233 25702 9816 1 18 . 1 1 34 34 LYS N N 34 120.638 120.638 119.263 1.375 25702 9817 1 18 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.899 0.023 25702 9818 1 18 . 1 1 34 34 LYS C C 34 178.623 178.623 177.428 1.195 25702 9819 1 18 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.429 0.693 25702 9820 1 18 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.722 0.465 25702 9821 1 18 . 1 1 34 34 LYS H H 34 7.828 7.828 7.497 0.331 25702 9822 1 18 . 1 1 35 35 MET N N 35 115.754 115.754 117.847 -2.093 25702 9823 1 18 . 1 1 35 35 MET HA H 35 4.230 4.230 4.353 -0.123 25702 9824 1 18 . 1 1 35 35 MET C C 35 177.927 177.927 177.483 0.444 25702 9825 1 18 . 1 1 35 35 MET CA C 35 56.931 56.931 55.821 1.110 25702 9826 1 18 . 1 1 35 35 MET CB C 35 32.038 32.038 33.018 -0.980 25702 9827 1 18 . 1 1 35 35 MET H H 35 7.612 7.612 7.716 -0.104 25702 9828 1 18 . 1 1 36 36 ILE N N 36 114.905 114.905 119.361 -4.456 25702 9829 1 18 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.867 0.385 25702 9830 1 18 . 1 1 36 36 ILE C C 36 176.681 176.681 177.376 -0.695 25702 9831 1 18 . 1 1 36 36 ILE CA C 36 60.143 60.143 61.877 -1.734 25702 9832 1 18 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.051 1.834 25702 9833 1 18 . 1 1 36 36 ILE H H 36 7.399 7.399 7.556 -0.157 25702 9834 1 18 . 1 1 37 37 ALA N N 37 125.154 125.154 123.411 1.743 25702 9835 1 18 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.939 0.140 25702 9836 1 18 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.841 0.230 25702 9837 1 18 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.026 -0.568 25702 9838 1 18 . 1 1 37 37 ALA H H 37 7.587 7.587 7.512 0.075 25702 9839 1 18 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.345 -0.106 25702 9840 1 18 . 1 1 38 38 PRO C C 38 179.456 179.456 177.977 1.479 25702 9841 1 18 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.771 0.416 25702 9842 1 18 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.631 -0.868 25702 9843 1 18 . 1 1 39 39 MET N N 39 117.231 117.231 118.580 -1.349 25702 9844 1 18 . 1 1 39 39 MET HA H 39 3.854 3.854 4.244 -0.390 25702 9845 1 18 . 1 1 39 39 MET C C 39 177.388 177.388 177.943 -0.555 25702 9846 1 18 . 1 1 39 39 MET CA C 39 57.916 57.916 58.134 -0.218 25702 9847 1 18 . 1 1 39 39 MET CB C 39 32.238 32.238 32.127 0.111 25702 9848 1 18 . 1 1 39 39 MET H H 39 7.051 7.051 7.711 -0.660 25702 9849 1 18 . 1 1 40 40 ILE N N 40 117.419 117.419 119.001 -1.582 25702 9850 1 18 . 1 1 40 40 ILE HA H 40 3.675 3.675 4.005 -0.330 25702 9851 1 18 . 1 1 40 40 ILE C C 40 177.699 177.699 177.112 0.587 25702 9852 1 18 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.562 -0.893 25702 9853 1 18 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.011 -2.240 25702 9854 1 18 . 1 1 40 40 ILE H H 40 7.825 7.825 7.567 0.258 25702 9855 1 18 . 1 1 41 41 GLU N N 41 119.014 119.014 120.174 -1.160 25702 9856 1 18 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.659 -0.073 25702 9857 1 18 . 1 1 41 41 GLU C C 41 180.065 180.065 178.015 2.050 25702 9858 1 18 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.670 0.737 25702 9859 1 18 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.367 -0.893 25702 9860 1 18 . 1 1 41 41 GLU H H 41 7.475 7.475 7.624 -0.149 25702 9861 1 18 . 1 1 42 42 LYS N N 42 120.988 120.988 119.254 1.734 25702 9862 1 18 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.965 -0.048 25702 9863 1 18 . 1 1 42 42 LYS C C 42 179.895 179.895 179.206 0.689 25702 9864 1 18 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.098 0.936 25702 9865 1 18 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.988 -1.143 25702 9866 1 18 . 1 1 42 42 LYS H H 42 7.402 7.402 7.598 -0.196 25702 9867 1 18 . 1 1 43 43 PHE N N 43 118.946 118.946 119.500 -0.554 25702 9868 1 18 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.964 -0.800 25702 9869 1 18 . 1 1 43 43 PHE C C 43 177.806 177.806 176.319 1.487 25702 9870 1 18 . 1 1 43 43 PHE CA C 43 60.022 60.022 60.089 -0.067 25702 9871 1 18 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.986 -0.566 25702 9872 1 18 . 1 1 43 43 PHE H H 43 8.270 8.270 7.708 0.562 25702 9873 1 18 . 1 1 44 44 SER N N 44 116.035 116.035 114.124 1.911 25702 9874 1 18 . 1 1 44 44 SER HA H 44 2.873 2.873 4.307 -1.434 25702 9875 1 18 . 1 1 44 44 SER C C 44 175.522 175.522 175.799 -0.277 25702 9876 1 18 . 1 1 44 44 SER CA C 44 60.173 60.173 59.634 0.539 25702 9877 1 18 . 1 1 44 44 SER CB C 44 61.911 61.911 62.819 -0.908 25702 9878 1 18 . 1 1 44 44 SER H H 44 7.763 7.763 6.796 0.967 25702 9879 1 18 . 1 1 45 45 GLU N N 45 120.563 120.563 121.818 -1.255 25702 9880 1 18 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.942 0.117 25702 9881 1 18 . 1 1 45 45 GLU C C 45 177.798 177.798 177.823 -0.025 25702 9882 1 18 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.685 -1.382 25702 9883 1 18 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.505 0.132 25702 9884 1 18 . 1 1 45 45 GLU H H 45 6.888 6.888 7.415 -0.527 25702 9885 1 18 . 1 1 46 46 GLN N N 46 118.400 118.400 116.647 1.753 25702 9886 1 18 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.153 -0.226 25702 9887 1 18 . 1 1 46 46 GLN C C 46 175.422 175.422 176.640 -1.218 25702 9888 1 18 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.569 -0.536 25702 9889 1 18 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.558 -0.869 25702 9890 1 18 . 1 1 46 46 GLN H H 46 7.451 7.451 7.360 0.091 25702 9891 1 18 . 1 1 47 47 TYR N N 47 115.979 115.979 114.883 1.096 25702 9892 1 18 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.099 -0.116 25702 9893 1 18 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.649 2.435 25702 9894 1 18 . 1 1 47 47 TYR CB C 47 38.074 38.074 37.993 0.081 25702 9895 1 18 . 1 1 47 47 TYR H H 47 7.433 7.433 7.443 -0.010 25702 9896 1 18 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.626 0.085 25702 9897 1 18 . 1 1 48 48 PRO C C 48 177.453 177.453 177.102 0.351 25702 9898 1 18 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.028 0.266 25702 9899 1 18 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.135 -0.265 25702 9900 1 18 . 1 1 49 49 GLN N N 49 119.035 119.035 116.442 2.593 25702 9901 1 18 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.259 0.101 25702 9902 1 18 . 1 1 49 49 GLN C C 49 174.990 174.990 175.827 -0.837 25702 9903 1 18 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.744 -0.284 25702 9904 1 18 . 1 1 49 49 GLN CB C 49 27.779 27.779 27.398 0.381 25702 9905 1 18 . 1 1 49 49 GLN H H 49 9.617 9.617 8.517 1.100 25702 9906 1 18 . 1 1 50 50 ALA N N 50 127.008 127.008 122.246 4.762 25702 9907 1 18 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.751 0.296 25702 9908 1 18 . 1 1 50 50 ALA C C 50 175.173 175.173 176.292 -1.119 25702 9909 1 18 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.337 -0.288 25702 9910 1 18 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.452 0.714 25702 9911 1 18 . 1 1 50 50 ALA H H 50 8.170 8.170 7.527 0.643 25702 9912 1 18 . 1 1 51 51 ASP N N 51 120.039 120.039 121.728 -1.689 25702 9913 1 18 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.375 0.730 25702 9914 1 18 . 1 1 51 51 ASP C C 51 174.707 174.707 174.850 -0.143 25702 9915 1 18 . 1 1 51 51 ASP CA C 51 53.004 53.004 54.232 -1.228 25702 9916 1 18 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.024 2.249 25702 9917 1 18 . 1 1 51 51 ASP H H 51 8.411 8.411 8.552 -0.141 25702 9918 1 18 . 1 1 52 52 PHE N N 52 120.670 120.670 120.457 0.213 25702 9919 1 18 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.124 0.055 25702 9920 1 18 . 1 1 52 52 PHE C C 52 174.633 174.633 174.049 0.584 25702 9921 1 18 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.615 1.097 25702 9922 1 18 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.067 2.807 25702 9923 1 18 . 1 1 52 52 PHE H H 52 8.943 8.943 7.214 1.729 25702 9924 1 18 . 1 1 53 53 TYR N N 53 120.949 120.949 122.792 -1.843 25702 9925 1 18 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.401 0.076 25702 9926 1 18 . 1 1 53 53 TYR C C 53 174.507 174.507 174.757 -0.250 25702 9927 1 18 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.487 -0.774 25702 9928 1 18 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.338 3.504 25702 9929 1 18 . 1 1 53 53 TYR H H 53 9.336 9.336 8.860 0.476 25702 9930 1 18 . 1 1 54 54 LYS N N 54 115.771 115.771 120.841 -5.070 25702 9931 1 18 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.183 0.316 25702 9932 1 18 . 1 1 54 54 LYS C C 54 173.200 173.200 174.147 -0.947 25702 9933 1 18 . 1 1 54 54 LYS CA C 54 53.495 53.495 54.842 -1.347 25702 9934 1 18 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.268 -1.312 25702 9935 1 18 . 1 1 54 54 LYS H H 54 8.451 8.451 9.103 -0.652 25702 9936 1 18 . 1 1 55 55 LEU N N 55 123.037 123.037 121.667 1.370 25702 9937 1 18 . 1 1 55 55 LEU HA H 55 4.471 4.471 5.402 -0.931 25702 9938 1 18 . 1 1 55 55 LEU C C 55 172.053 172.053 173.551 -1.498 25702 9939 1 18 . 1 1 55 55 LEU CA C 55 55.386 55.386 53.906 1.480 25702 9940 1 18 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.749 -0.936 25702 9941 1 18 . 1 1 55 55 LEU H H 55 8.783 8.783 9.040 -0.257 25702 9942 1 18 . 1 1 56 56 ASP N N 56 126.250 126.250 123.354 2.896 25702 9943 1 18 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.265 -1.108 25702 9944 1 18 . 1 1 56 56 ASP C C 56 178.219 178.219 177.674 0.545 25702 9945 1 18 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.353 -0.111 25702 9946 1 18 . 1 1 56 56 ASP CB C 56 40.748 40.748 42.651 -1.903 25702 9947 1 18 . 1 1 56 56 ASP H H 56 8.580 8.580 8.288 0.292 25702 9948 1 18 . 1 1 57 57 VAL N N 57 123.015 123.015 116.250 6.765 25702 9949 1 18 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.062 -0.646 25702 9950 1 18 . 1 1 57 57 VAL C C 57 175.672 175.672 175.834 -0.162 25702 9951 1 18 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.454 0.242 25702 9952 1 18 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.855 -0.852 25702 9953 1 18 . 1 1 57 57 VAL H H 57 8.767 8.767 8.584 0.183 25702 9954 1 18 . 1 1 58 58 ASP N N 58 118.536 118.536 119.028 -0.492 25702 9955 1 18 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.561 0.134 25702 9956 1 18 . 1 1 58 58 ASP C C 58 177.541 177.541 178.252 -0.711 25702 9957 1 18 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.107 -0.948 25702 9958 1 18 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.254 -0.784 25702 9959 1 18 . 1 1 58 58 ASP H H 58 8.653 8.653 8.224 0.429 25702 9960 1 18 . 1 1 59 59 GLU N N 59 119.610 119.610 118.626 0.984 25702 9961 1 18 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.399 -0.046 25702 9962 1 18 . 1 1 59 59 GLU C C 59 177.106 177.106 177.416 -0.310 25702 9963 1 18 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.879 -0.510 25702 9964 1 18 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.818 0.882 25702 9965 1 18 . 1 1 59 59 GLU H H 59 7.596 7.596 8.332 -0.736 25702 9966 1 18 . 1 1 60 60 LEU N N 60 121.513 121.513 120.963 0.550 25702 9967 1 18 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.694 0.218 25702 9968 1 18 . 1 1 60 60 LEU C C 60 177.050 177.050 176.618 0.432 25702 9969 1 18 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.093 -0.730 25702 9970 1 18 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.914 1.708 25702 9971 1 18 . 1 1 60 60 LEU H H 60 7.689 7.689 8.506 -0.817 25702 9972 1 18 . 1 1 61 61 GLY N N 61 111.170 111.170 109.975 1.195 25702 9973 1 18 . 1 1 61 61 GLY C C 61 176.313 176.313 175.451 0.862 25702 9974 1 18 . 1 1 61 61 GLY CA C 61 48.223 48.223 46.981 1.242 25702 9975 1 18 . 1 1 61 61 GLY H H 61 8.218 8.218 8.422 -0.204 25702 9976 1 18 . 1 1 62 62 ASP N N 62 119.711 119.711 120.296 -0.585 25702 9977 1 18 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.354 -0.036 25702 9978 1 18 . 1 1 62 62 ASP C C 62 178.935 178.935 177.843 1.092 25702 9979 1 18 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.550 0.129 25702 9980 1 18 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.551 -1.288 25702 9981 1 18 . 1 1 62 62 ASP H H 62 9.141 9.141 8.547 0.594 25702 9982 1 18 . 1 1 63 63 VAL N N 63 120.511 120.511 119.568 0.943 25702 9983 1 18 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.545 -0.222 25702 9984 1 18 . 1 1 63 63 VAL C C 63 179.266 179.266 177.460 1.806 25702 9985 1 18 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.052 -0.658 25702 9986 1 18 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.407 -0.115 25702 9987 1 18 . 1 1 63 63 VAL H H 63 7.275 7.275 7.633 -0.358 25702 9988 1 18 . 1 1 64 64 ALA N N 64 122.711 122.711 120.463 2.248 25702 9989 1 18 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.653 0.137 25702 9990 1 18 . 1 1 64 64 ALA C C 64 178.540 178.540 179.762 -1.222 25702 9991 1 18 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.156 0.729 25702 9992 1 18 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.077 -0.260 25702 9993 1 18 . 1 1 64 64 ALA H H 64 7.264 7.264 7.569 -0.305 25702 9994 1 18 . 1 1 65 65 GLN N N 65 117.988 117.988 116.384 1.604 25702 9995 1 18 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.025 0.032 25702 9996 1 18 . 1 1 65 65 GLN C C 65 180.544 180.544 178.453 2.091 25702 9997 1 18 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.417 1.591 25702 9998 1 18 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.467 -0.166 25702 9999 1 18 . 1 1 65 65 GLN H H 65 8.344 8.344 7.817 0.527 25702 10000 1 18 . 1 1 66 66 LYS N N 66 120.050 120.050 119.215 0.835 25702 10001 1 18 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.000 0.054 25702 10002 1 18 . 1 1 66 66 LYS C C 66 176.954 176.954 177.252 -0.298 25702 10003 1 18 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.261 0.556 25702 10004 1 18 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.043 0.136 25702 10005 1 18 . 1 1 66 66 LYS H H 66 7.971 7.971 7.766 0.205 25702 10006 1 18 . 1 1 67 67 ASN N N 67 114.553 114.553 115.745 -1.192 25702 10007 1 18 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.524 0.252 25702 10008 1 18 . 1 1 67 67 ASN C C 67 171.614 171.614 174.908 -3.294 25702 10009 1 18 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.896 1.184 25702 10010 1 18 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.594 1.515 25702 10011 1 18 . 1 1 67 67 ASN H H 67 7.064 7.064 7.291 -0.227 25702 10012 1 18 . 1 1 68 68 GLU N N 68 114.491 114.491 116.626 -2.135 25702 10013 1 18 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.880 -0.139 25702 10014 1 18 . 1 1 68 68 GLU C C 68 175.660 175.660 174.532 1.128 25702 10015 1 18 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.258 -0.252 25702 10016 1 18 . 1 1 68 68 GLU CB C 68 26.972 26.972 27.746 -0.774 25702 10017 1 18 . 1 1 68 68 GLU H H 68 7.755 7.755 7.745 0.010 25702 10018 1 18 . 1 1 69 69 VAL N N 69 120.375 120.375 118.301 2.074 25702 10019 1 18 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.132 -0.228 25702 10020 1 18 . 1 1 69 69 VAL C C 69 175.415 175.415 174.748 0.667 25702 10021 1 18 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.507 1.363 25702 10022 1 18 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.161 -1.247 25702 10023 1 18 . 1 1 69 69 VAL H H 69 7.787 7.787 7.890 -0.103 25702 10024 1 18 . 1 1 70 70 SER N N 70 121.558 121.558 123.453 -1.895 25702 10025 1 18 . 1 1 70 70 SER HA H 70 4.488 4.488 4.573 -0.085 25702 10026 1 18 . 1 1 70 70 SER C C 70 172.616 172.616 173.894 -1.278 25702 10027 1 18 . 1 1 70 70 SER CA C 70 57.728 57.728 58.213 -0.485 25702 10028 1 18 . 1 1 70 70 SER CB C 70 64.713 64.713 63.842 0.871 25702 10029 1 18 . 1 1 70 70 SER H H 70 8.565 8.565 8.615 -0.050 25702 10030 1 18 . 1 1 71 71 ALA N N 71 125.848 125.848 124.286 1.562 25702 10031 1 18 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.630 -0.051 25702 10032 1 18 . 1 1 71 71 ALA C C 71 175.531 175.531 175.860 -0.329 25702 10033 1 18 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.254 0.238 25702 10034 1 18 . 1 1 71 71 ALA CB C 71 21.362 21.362 21.430 -0.068 25702 10035 1 18 . 1 1 71 71 ALA H H 71 7.861 7.861 7.599 0.262 25702 10036 1 18 . 1 1 72 72 MET N N 72 118.991 118.991 120.624 -1.633 25702 10037 1 18 . 1 1 72 72 MET HA H 72 4.879 4.879 4.887 -0.008 25702 10038 1 18 . 1 1 72 72 MET CA C 72 51.907 51.907 51.085 0.822 25702 10039 1 18 . 1 1 72 72 MET CB C 72 35.595 35.595 33.137 2.458 25702 10040 1 18 . 1 1 72 72 MET H H 72 8.553 8.553 8.378 0.175 25702 10041 1 18 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.965 0.041 25702 10042 1 18 . 1 1 73 73 PRO C C 73 176.015 176.015 175.575 0.440 25702 10043 1 18 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.179 0.850 25702 10044 1 18 . 1 1 73 73 PRO CB C 73 34.365 34.365 34.016 0.350 25702 10045 1 18 . 1 1 74 74 THR N N 74 114.577 114.577 113.973 0.604 25702 10046 1 18 . 1 1 74 74 THR HA H 74 5.013 5.013 5.115 -0.102 25702 10047 1 18 . 1 1 74 74 THR C C 74 171.538 171.538 173.301 -1.763 25702 10048 1 18 . 1 1 74 74 THR CA C 74 63.556 63.556 61.852 1.704 25702 10049 1 18 . 1 1 74 74 THR CB C 74 73.238 73.238 72.829 0.409 25702 10050 1 18 . 1 1 74 74 THR H H 74 7.772 7.772 8.891 -1.119 25702 10051 1 18 . 1 1 75 75 LEU N N 75 131.086 131.086 124.433 6.653 25702 10052 1 18 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.524 -0.038 25702 10053 1 18 . 1 1 75 75 LEU C C 75 174.827 174.827 175.562 -0.735 25702 10054 1 18 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.049 -0.727 25702 10055 1 18 . 1 1 75 75 LEU CB C 75 44.149 44.149 45.311 -1.162 25702 10056 1 18 . 1 1 75 75 LEU H H 75 9.517 9.517 9.443 0.074 25702 10057 1 18 . 1 1 76 76 LEU N N 76 123.573 123.573 123.397 0.176 25702 10058 1 18 . 1 1 76 76 LEU HA H 76 4.903 4.903 5.017 -0.114 25702 10059 1 18 . 1 1 76 76 LEU C C 76 174.229 174.229 175.043 -0.814 25702 10060 1 18 . 1 1 76 76 LEU CA C 76 53.487 53.487 54.056 -0.569 25702 10061 1 18 . 1 1 76 76 LEU CB C 76 46.070 46.070 46.068 0.002 25702 10062 1 18 . 1 1 76 76 LEU H H 76 9.214 9.214 8.893 0.321 25702 10063 1 18 . 1 1 77 77 LEU N N 77 123.032 123.032 125.258 -2.226 25702 10064 1 18 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.478 -0.230 25702 10065 1 18 . 1 1 77 77 LEU C C 77 174.961 174.961 175.649 -0.688 25702 10066 1 18 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.583 1.146 25702 10067 1 18 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.794 -0.103 25702 10068 1 18 . 1 1 77 77 LEU H H 77 8.189 8.189 9.168 -0.979 25702 10069 1 18 . 1 1 78 78 PHE N N 78 121.929 121.929 123.482 -1.553 25702 10070 1 18 . 1 1 78 78 PHE HA H 78 5.397 5.397 5.062 0.335 25702 10071 1 18 . 1 1 78 78 PHE C C 78 174.427 174.427 174.686 -0.259 25702 10072 1 18 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.927 -0.546 25702 10073 1 18 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.019 0.299 25702 10074 1 18 . 1 1 78 78 PHE H H 78 9.748 9.748 9.291 0.457 25702 10075 1 18 . 1 1 79 79 LYS N N 79 117.221 117.221 122.309 -5.088 25702 10076 1 18 . 1 1 79 79 LYS HA H 79 4.813 4.813 4.916 -0.103 25702 10077 1 18 . 1 1 79 79 LYS C C 79 177.709 177.709 176.404 1.305 25702 10078 1 18 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.627 2.795 25702 10079 1 18 . 1 1 79 79 LYS CB C 79 36.270 36.270 33.641 2.629 25702 10080 1 18 . 1 1 79 79 LYS H H 79 8.741 8.741 9.253 -0.512 25702 10081 1 18 . 1 1 80 80 ASN N N 80 125.563 125.563 121.827 3.736 25702 10082 1 18 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.520 -0.215 25702 10083 1 18 . 1 1 80 80 ASN C C 80 175.395 175.395 175.179 0.216 25702 10084 1 18 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.956 0.513 25702 10085 1 18 . 1 1 80 80 ASN CB C 80 37.671 37.671 35.682 1.989 25702 10086 1 18 . 1 1 80 80 ASN H H 80 8.890 8.890 8.824 0.066 25702 10087 1 18 . 1 1 81 81 GLY N N 81 102.976 102.976 102.003 0.973 25702 10088 1 18 . 1 1 81 81 GLY C C 81 173.223 173.223 174.323 -1.100 25702 10089 1 18 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.434 0.211 25702 10090 1 18 . 1 1 81 81 GLY H H 81 8.640 8.640 8.670 -0.030 25702 10091 1 18 . 1 1 82 82 LYS N N 82 119.280 119.280 119.740 -0.460 25702 10092 1 18 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.808 -0.085 25702 10093 1 18 . 1 1 82 82 LYS C C 82 174.897 174.897 175.312 -0.415 25702 10094 1 18 . 1 1 82 82 LYS CA C 82 54.355 54.355 53.928 0.427 25702 10095 1 18 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.612 -0.285 25702 10096 1 18 . 1 1 82 82 LYS H H 82 7.583 7.583 7.800 -0.217 25702 10097 1 18 . 1 1 83 83 GLU N N 83 125.460 125.460 120.475 4.985 25702 10098 1 18 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.843 0.016 25702 10099 1 18 . 1 1 83 83 GLU C C 83 177.249 177.249 177.399 -0.150 25702 10100 1 18 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.521 -0.562 25702 10101 1 18 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.347 0.165 25702 10102 1 18 . 1 1 83 83 GLU H H 83 8.818 8.818 8.732 0.086 25702 10103 1 18 . 1 1 84 84 VAL N N 84 121.989 121.989 113.449 8.540 25702 10104 1 18 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.399 0.023 25702 10105 1 18 . 1 1 84 84 VAL C C 84 175.625 175.625 175.080 0.545 25702 10106 1 18 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.819 -0.736 25702 10107 1 18 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.260 -1.169 25702 10108 1 18 . 1 1 84 84 VAL H H 84 9.281 9.281 8.172 1.109 25702 10109 1 18 . 1 1 85 85 ALA N N 85 121.284 121.284 122.802 -1.518 25702 10110 1 18 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.600 -0.201 25702 10111 1 18 . 1 1 85 85 ALA C C 85 173.805 173.805 174.341 -0.536 25702 10112 1 18 . 1 1 85 85 ALA CA C 85 52.656 52.656 51.989 0.667 25702 10113 1 18 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.923 0.064 25702 10114 1 18 . 1 1 85 85 ALA H H 85 7.564 7.564 7.524 0.040 25702 10115 1 18 . 1 1 86 86 LYS N N 86 119.558 119.558 122.404 -2.846 25702 10116 1 18 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.225 -0.279 25702 10117 1 18 . 1 1 86 86 LYS C C 86 174.999 174.999 174.718 0.281 25702 10118 1 18 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.515 -0.176 25702 10119 1 18 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.930 -0.325 25702 10120 1 18 . 1 1 86 86 LYS H H 86 8.000 8.000 8.365 -0.365 25702 10121 1 18 . 1 1 87 87 VAL N N 87 126.118 126.118 126.093 0.025 25702 10122 1 18 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.511 0.192 25702 10123 1 18 . 1 1 87 87 VAL C C 87 174.516 174.516 175.174 -0.658 25702 10124 1 18 . 1 1 87 87 VAL CA C 87 61.379 61.379 60.714 0.665 25702 10125 1 18 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.196 -1.009 25702 10126 1 18 . 1 1 87 87 VAL H H 87 9.198 9.198 9.118 0.080 25702 10127 1 18 . 1 1 88 88 VAL N N 88 128.549 128.549 121.553 6.996 25702 10128 1 18 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.527 -0.073 25702 10129 1 18 . 1 1 88 88 VAL C C 88 176.142 176.142 175.339 0.803 25702 10130 1 18 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.106 0.875 25702 10131 1 18 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.447 2.194 25702 10132 1 18 . 1 1 88 88 VAL H H 88 9.031 9.031 8.612 0.419 25702 10133 1 18 . 1 1 89 89 GLY N N 89 114.516 114.516 108.718 5.798 25702 10134 1 18 . 1 1 89 89 GLY C C 89 173.063 173.063 173.017 0.046 25702 10135 1 18 . 1 1 89 89 GLY CA C 89 43.506 43.506 44.947 -1.441 25702 10136 1 18 . 1 1 89 89 GLY H H 89 8.379 8.379 7.435 0.944 25702 10137 1 18 . 1 1 90 90 ALA N N 90 122.292 122.292 123.432 -1.140 25702 10138 1 18 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.168 0.027 25702 10139 1 18 . 1 1 90 90 ALA C C 90 174.897 174.897 176.442 -1.545 25702 10140 1 18 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.524 -2.085 25702 10141 1 18 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.471 -0.590 25702 10142 1 18 . 1 1 90 90 ALA H H 90 8.592 8.592 8.562 0.030 25702 10143 1 18 . 1 1 91 91 ASN N N 91 120.220 120.220 124.376 -4.156 25702 10144 1 18 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.034 0.077 25702 10145 1 18 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.475 0.537 25702 10146 1 18 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.405 -0.427 25702 10147 1 18 . 1 1 91 91 ASN H H 91 7.386 7.386 8.375 -0.989 25702 10148 1 18 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.106 -0.078 25702 10149 1 18 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.589 -4.492 25702 10150 1 18 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.201 -0.106 25702 10151 1 18 . 1 1 93 93 ALA C C 93 180.205 180.205 179.678 0.527 25702 10152 1 18 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.924 0.242 25702 10153 1 18 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.001 -0.020 25702 10154 1 18 . 1 1 94 94 ALA N N 94 120.499 120.499 121.900 -1.401 25702 10155 1 18 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.157 -0.096 25702 10156 1 18 . 1 1 94 94 ALA C C 94 180.917 180.917 180.220 0.697 25702 10157 1 18 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.874 -0.614 25702 10158 1 18 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.274 0.524 25702 10159 1 18 . 1 1 94 94 ALA H H 94 7.223 7.223 8.344 -1.121 25702 10160 1 18 . 1 1 95 95 ILE N N 95 119.397 119.397 118.543 0.854 25702 10161 1 18 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.747 -0.395 25702 10162 1 18 . 1 1 95 95 ILE C C 95 176.217 176.217 178.002 -1.785 25702 10163 1 18 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.494 2.459 25702 10164 1 18 . 1 1 95 95 ILE CB C 95 38.380 38.380 37.037 1.343 25702 10165 1 18 . 1 1 95 95 ILE H H 95 7.772 7.772 8.686 -0.914 25702 10166 1 18 . 1 1 96 96 LYS N N 96 118.919 118.919 120.059 -1.140 25702 10167 1 18 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.455 -1.438 25702 10168 1 18 . 1 1 96 96 LYS C C 96 177.824 177.824 179.843 -2.019 25702 10169 1 18 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.251 1.375 25702 10170 1 18 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.366 -0.201 25702 10171 1 18 . 1 1 96 96 LYS H H 96 8.112 8.112 7.867 0.245 25702 10172 1 18 . 1 1 97 97 GLN N N 97 115.480 115.480 119.098 -3.618 25702 10173 1 18 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.159 -0.307 25702 10174 1 18 . 1 1 97 97 GLN C C 97 178.014 178.014 177.525 0.489 25702 10175 1 18 . 1 1 97 97 GLN CA C 97 58.583 58.583 57.944 0.639 25702 10176 1 18 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.305 0.038 25702 10177 1 18 . 1 1 97 97 GLN H H 97 7.686 7.686 8.487 -0.801 25702 10178 1 18 . 1 1 98 98 ALA N N 98 120.911 120.911 123.705 -2.794 25702 10179 1 18 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.029 -0.099 25702 10180 1 18 . 1 1 98 98 ALA C C 98 179.544 179.544 179.579 -0.035 25702 10181 1 18 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.186 -0.437 25702 10182 1 18 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.042 -0.127 25702 10183 1 18 . 1 1 98 98 ALA H H 98 7.446 7.446 7.556 -0.110 25702 10184 1 18 . 1 1 99 99 ILE N N 99 117.780 117.780 117.172 0.608 25702 10185 1 18 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.552 -0.505 25702 10186 1 18 . 1 1 99 99 ILE C C 99 177.087 177.087 177.878 -0.791 25702 10187 1 18 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.614 2.845 25702 10188 1 18 . 1 1 99 99 ILE CB C 99 38.132 38.132 36.000 2.132 25702 10189 1 18 . 1 1 99 99 ILE H H 99 7.735 7.735 8.330 -0.595 25702 10190 1 18 . 1 1 100 100 ALA N N 100 119.516 119.516 120.467 -0.951 25702 10191 1 18 . 1 1 100 100 ALA C C 100 180.431 180.431 178.515 1.916 25702 10192 1 18 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.932 1.313 25702 10193 1 18 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.155 0.138 25702 10194 1 18 . 1 1 100 100 ALA H H 100 8.214 8.214 7.561 0.653 25702 10195 1 18 . 1 1 101 101 ALA N N 101 115.674 115.674 120.933 -5.259 25702 10196 1 18 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.047 0.023 25702 10197 1 18 . 1 1 101 101 ALA C C 101 178.213 178.213 179.207 -0.994 25702 10198 1 18 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.702 0.182 25702 10199 1 18 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.505 -0.462 25702 10200 1 18 . 1 1 101 101 ALA H H 101 7.619 7.619 7.679 -0.060 25702 10201 1 18 . 1 1 102 102 ASN N N 102 115.986 115.986 114.770 1.216 25702 10202 1 18 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.589 0.195 25702 10203 1 18 . 1 1 102 102 ASN C C 102 172.740 172.740 175.181 -2.441 25702 10204 1 18 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.156 0.144 25702 10205 1 18 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.463 3.426 25702 10206 1 18 . 1 1 102 102 ASN H H 102 7.116 7.116 8.461 -1.345 25702 10207 1 19 . 1 1 2 2 VAL N N 2 125.020 125.020 125.171 -0.151 25702 10208 1 19 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.153 -0.075 25702 10209 1 19 . 1 1 2 2 VAL C C 2 175.261 175.261 175.883 -0.622 25702 10210 1 19 . 1 1 2 2 VAL CA C 2 61.049 61.049 60.923 0.126 25702 10211 1 19 . 1 1 2 2 VAL CB C 2 32.667 32.667 32.532 0.135 25702 10212 1 19 . 1 1 2 2 VAL H H 2 8.590 8.590 8.563 0.027 25702 10213 1 19 . 1 1 3 3 THR N N 3 125.759 125.759 123.434 2.325 25702 10214 1 19 . 1 1 3 3 THR HA H 3 4.138 4.138 4.448 -0.310 25702 10215 1 19 . 1 1 3 3 THR C C 3 173.129 173.129 173.269 -0.140 25702 10216 1 19 . 1 1 3 3 THR CA C 3 62.804 62.804 62.919 -0.115 25702 10217 1 19 . 1 1 3 3 THR CB C 3 69.547 69.547 69.981 -0.434 25702 10218 1 19 . 1 1 3 3 THR H H 3 7.778 7.778 8.347 -0.569 25702 10219 1 19 . 1 1 4 4 GLN N N 4 127.746 127.746 124.355 3.391 25702 10220 1 19 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.907 -0.168 25702 10221 1 19 . 1 1 4 4 GLN C C 4 176.754 176.754 175.683 1.071 25702 10222 1 19 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.437 -1.002 25702 10223 1 19 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.915 -0.385 25702 10224 1 19 . 1 1 4 4 GLN H H 4 8.975 8.975 8.419 0.556 25702 10225 1 19 . 1 1 5 5 PHE N N 5 126.242 126.242 127.760 -1.518 25702 10226 1 19 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.596 0.221 25702 10227 1 19 . 1 1 5 5 PHE C C 5 176.102 176.102 175.713 0.389 25702 10228 1 19 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.909 1.619 25702 10229 1 19 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.801 -0.281 25702 10230 1 19 . 1 1 5 5 PHE H H 5 8.422 8.422 8.936 -0.514 25702 10231 1 19 . 1 1 6 6 LYS N N 6 119.482 119.482 118.585 0.897 25702 10232 1 19 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.568 0.053 25702 10233 1 19 . 1 1 6 6 LYS C C 6 176.994 176.994 175.899 1.095 25702 10234 1 19 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.936 -0.921 25702 10235 1 19 . 1 1 6 6 LYS CB C 6 34.132 34.132 33.986 0.146 25702 10236 1 19 . 1 1 6 6 LYS H H 6 9.822 9.822 8.762 1.060 25702 10237 1 19 . 1 1 7 7 THR N N 7 107.464 107.464 109.733 -2.269 25702 10238 1 19 . 1 1 7 7 THR HA H 7 4.597 4.597 4.626 -0.029 25702 10239 1 19 . 1 1 7 7 THR C C 7 173.921 173.921 174.031 -0.110 25702 10240 1 19 . 1 1 7 7 THR CA C 7 59.155 59.155 59.701 -0.546 25702 10241 1 19 . 1 1 7 7 THR CB C 7 72.660 72.660 71.186 1.474 25702 10242 1 19 . 1 1 7 7 THR H H 7 7.484 7.484 7.897 -0.413 25702 10243 1 19 . 1 1 8 8 ALA N N 8 123.987 123.987 121.705 2.282 25702 10244 1 19 . 1 1 8 8 ALA HA H 8 3.709 3.709 3.957 -0.248 25702 10245 1 19 . 1 1 8 8 ALA C C 8 179.409 179.409 178.931 0.478 25702 10246 1 19 . 1 1 8 8 ALA CA C 8 55.002 55.002 55.178 -0.177 25702 10247 1 19 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.220 -0.130 25702 10248 1 19 . 1 1 8 8 ALA H H 8 9.031 9.031 8.957 0.074 25702 10249 1 19 . 1 1 9 9 SER N N 9 112.387 112.387 113.483 -1.096 25702 10250 1 19 . 1 1 9 9 SER HA H 9 4.127 4.127 4.005 0.122 25702 10251 1 19 . 1 1 9 9 SER C C 9 177.070 177.070 176.581 0.489 25702 10252 1 19 . 1 1 9 9 SER CA C 9 61.109 61.109 62.266 -1.157 25702 10253 1 19 . 1 1 9 9 SER CB C 9 62.226 62.226 63.011 -0.784 25702 10254 1 19 . 1 1 9 9 SER H H 9 8.161 8.161 7.928 0.233 25702 10255 1 19 . 1 1 10 10 GLU N N 10 121.941 121.941 121.428 0.513 25702 10256 1 19 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.764 0.087 25702 10257 1 19 . 1 1 10 10 GLU C C 10 178.776 178.776 178.142 0.634 25702 10258 1 19 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.288 -0.605 25702 10259 1 19 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.020 1.984 25702 10260 1 19 . 1 1 10 10 GLU H H 10 7.522 7.522 7.526 -0.004 25702 10261 1 19 . 1 1 11 11 PHE N N 11 120.541 120.541 119.149 1.392 25702 10262 1 19 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.927 -0.081 25702 10263 1 19 . 1 1 11 11 PHE C C 11 174.944 174.944 177.014 -2.070 25702 10264 1 19 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.724 -0.017 25702 10265 1 19 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.937 -1.199 25702 10266 1 19 . 1 1 11 11 PHE H H 11 6.624 6.624 7.108 -0.484 25702 10267 1 19 . 1 1 12 12 ASP N N 12 117.847 117.847 118.344 -0.497 25702 10268 1 19 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.209 -0.378 25702 10269 1 19 . 1 1 12 12 ASP C C 12 178.767 178.767 178.590 0.177 25702 10270 1 19 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.388 -0.170 25702 10271 1 19 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.681 -0.382 25702 10272 1 19 . 1 1 12 12 ASP H H 12 7.637 7.637 8.515 -0.878 25702 10273 1 19 . 1 1 13 13 SER N N 13 111.904 111.904 115.735 -3.831 25702 10274 1 19 . 1 1 13 13 SER HA H 13 4.034 4.034 4.147 -0.113 25702 10275 1 19 . 1 1 13 13 SER C C 13 176.341 176.341 176.007 0.334 25702 10276 1 19 . 1 1 13 13 SER CA C 13 60.857 60.857 61.193 -0.336 25702 10277 1 19 . 1 1 13 13 SER CB C 13 63.144 63.144 62.723 0.421 25702 10278 1 19 . 1 1 13 13 SER H H 13 7.539 7.539 8.244 -0.705 25702 10279 1 19 . 1 1 14 14 ALA N N 14 123.793 123.793 122.901 0.892 25702 10280 1 19 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.022 0.005 25702 10281 1 19 . 1 1 14 14 ALA C C 14 180.358 180.358 179.262 1.096 25702 10282 1 19 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.215 0.625 25702 10283 1 19 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.415 0.411 25702 10284 1 19 . 1 1 14 14 ALA H H 14 7.647 7.647 7.401 0.246 25702 10285 1 19 . 1 1 15 15 ILE N N 15 106.782 106.782 119.662 -12.880 25702 10286 1 19 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.630 0.090 25702 10287 1 19 . 1 1 15 15 ILE C C 15 176.012 176.012 177.860 -1.848 25702 10288 1 19 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.946 1.549 25702 10289 1 19 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.122 1.673 25702 10290 1 19 . 1 1 15 15 ILE H H 15 7.146 7.146 7.809 -0.663 25702 10291 1 19 . 1 1 16 16 ALA N N 16 122.248 122.248 119.176 3.072 25702 10292 1 19 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.183 -0.152 25702 10293 1 19 . 1 1 16 16 ALA C C 16 177.072 177.072 176.988 0.084 25702 10294 1 19 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.102 -0.352 25702 10295 1 19 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.347 0.023 25702 10296 1 19 . 1 1 16 16 ALA H H 16 6.627 6.627 7.596 -0.969 25702 10297 1 19 . 1 1 17 17 GLN N N 17 115.254 115.254 118.489 -3.235 25702 10298 1 19 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.241 -0.022 25702 10299 1 19 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.603 0.295 25702 10300 1 19 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.549 4.415 25702 10301 1 19 . 1 1 17 17 GLN H H 17 7.136 7.136 7.378 -0.242 25702 10302 1 19 . 1 1 18 18 ASP N N 18 122.840 122.840 120.940 1.900 25702 10303 1 19 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.530 0.002 25702 10304 1 19 . 1 1 18 18 ASP C C 18 175.348 175.348 175.107 0.241 25702 10305 1 19 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.939 -0.429 25702 10306 1 19 . 1 1 18 18 ASP CB C 18 39.050 39.050 40.047 -0.997 25702 10307 1 19 . 1 1 18 18 ASP H H 18 8.644 8.644 8.635 0.009 25702 10308 1 19 . 1 1 19 19 LYS N N 19 118.503 118.503 114.464 4.039 25702 10309 1 19 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.477 -0.094 25702 10310 1 19 . 1 1 19 19 LYS C C 19 173.289 173.289 174.863 -1.574 25702 10311 1 19 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.508 1.213 25702 10312 1 19 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.764 -0.548 25702 10313 1 19 . 1 1 19 19 LYS H H 19 7.939 7.939 7.146 0.793 25702 10314 1 19 . 1 1 20 20 LEU N N 20 120.813 120.813 123.654 -2.841 25702 10315 1 19 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.817 -0.108 25702 10316 1 19 . 1 1 20 20 LEU C C 20 174.429 174.429 175.813 -1.384 25702 10317 1 19 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.851 0.936 25702 10318 1 19 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.301 0.260 25702 10319 1 19 . 1 1 20 20 LEU H H 20 8.625 8.625 8.735 -0.110 25702 10320 1 19 . 1 1 21 21 VAL N N 21 128.813 128.813 128.159 0.654 25702 10321 1 19 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.378 -0.113 25702 10322 1 19 . 1 1 21 21 VAL C C 21 174.618 174.618 175.043 -0.425 25702 10323 1 19 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.631 -0.048 25702 10324 1 19 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.198 2.379 25702 10325 1 19 . 1 1 21 21 VAL H H 21 9.251 9.251 9.280 -0.029 25702 10326 1 19 . 1 1 22 22 VAL N N 22 130.243 130.243 128.881 1.362 25702 10327 1 19 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.455 -0.192 25702 10328 1 19 . 1 1 22 22 VAL C C 22 174.802 174.802 174.732 0.070 25702 10329 1 19 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.495 0.147 25702 10330 1 19 . 1 1 22 22 VAL CB C 22 32.824 32.824 32.464 0.360 25702 10331 1 19 . 1 1 22 22 VAL H H 22 8.969 8.969 9.188 -0.219 25702 10332 1 19 . 1 1 23 23 VAL N N 23 125.526 125.526 128.554 -3.028 25702 10333 1 19 . 1 1 23 23 VAL HA H 23 4.652 4.652 5.019 -0.367 25702 10334 1 19 . 1 1 23 23 VAL C C 23 174.086 174.086 175.021 -0.935 25702 10335 1 19 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.755 1.028 25702 10336 1 19 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.526 0.898 25702 10337 1 19 . 1 1 23 23 VAL H H 23 9.555 9.555 9.104 0.451 25702 10338 1 19 . 1 1 24 24 ALA N N 24 130.468 130.468 131.130 -0.662 25702 10339 1 19 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.867 0.136 25702 10340 1 19 . 1 1 24 24 ALA C C 24 175.093 175.093 176.022 -0.929 25702 10341 1 19 . 1 1 24 24 ALA CA C 24 51.109 51.109 51.061 0.048 25702 10342 1 19 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.233 0.310 25702 10343 1 19 . 1 1 24 24 ALA H H 24 9.004 9.004 9.444 -0.440 25702 10344 1 19 . 1 1 25 25 PHE N N 25 124.289 124.289 126.654 -2.365 25702 10345 1 19 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.146 -0.127 25702 10346 1 19 . 1 1 25 25 PHE C C 25 174.794 174.794 174.623 0.171 25702 10347 1 19 . 1 1 25 25 PHE CA C 25 57.620 57.620 56.600 1.020 25702 10348 1 19 . 1 1 25 25 PHE CB C 25 39.765 39.765 40.930 -1.165 25702 10349 1 19 . 1 1 25 25 PHE H H 25 9.455 9.455 9.201 0.254 25702 10350 1 19 . 1 1 26 26 TYR N N 26 120.967 120.967 121.152 -0.185 25702 10351 1 19 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.854 0.497 25702 10352 1 19 . 1 1 26 26 TYR C C 26 171.352 171.352 172.346 -0.994 25702 10353 1 19 . 1 1 26 26 TYR CA C 26 54.831 54.831 56.142 -1.311 25702 10354 1 19 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.461 2.473 25702 10355 1 19 . 1 1 26 26 TYR H H 26 8.908 8.908 8.185 0.723 25702 10356 1 19 . 1 1 27 27 ALA N N 27 119.133 119.133 121.858 -2.725 25702 10357 1 19 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.523 -0.964 25702 10358 1 19 . 1 1 27 27 ALA C C 27 179.092 179.092 178.455 0.637 25702 10359 1 19 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.265 0.889 25702 10360 1 19 . 1 1 27 27 ALA CB C 27 21.950 21.950 21.283 0.667 25702 10361 1 19 . 1 1 27 27 ALA H H 27 6.962 6.962 8.398 -1.436 25702 10362 1 19 . 1 1 28 28 THR N N 28 116.784 116.784 116.774 0.010 25702 10363 1 19 . 1 1 28 28 THR HA H 28 3.867 3.867 4.211 -0.344 25702 10364 1 19 . 1 1 28 28 THR C C 28 174.957 174.957 175.781 -0.824 25702 10365 1 19 . 1 1 28 28 THR CA C 28 64.820 64.820 64.567 0.254 25702 10366 1 19 . 1 1 28 28 THR CB C 28 69.197 69.197 69.107 0.090 25702 10367 1 19 . 1 1 28 28 THR H H 28 10.053 10.053 9.344 0.709 25702 10368 1 19 . 1 1 29 29 TRP N N 29 114.763 114.763 118.803 -4.040 25702 10369 1 19 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.716 -0.194 25702 10370 1 19 . 1 1 29 29 TRP C C 29 175.478 175.478 176.100 -0.622 25702 10371 1 19 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.628 -2.123 25702 10372 1 19 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.679 0.665 25702 10373 1 19 . 1 1 29 29 TRP H H 29 6.495 6.495 7.619 -1.124 25702 10374 1 19 . 1 1 30 30 CYS N N 30 122.729 122.729 121.386 1.343 25702 10375 1 19 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.288 0.203 25702 10376 1 19 . 1 1 30 30 CYS CA C 30 58.502 58.502 59.009 -0.507 25702 10377 1 19 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.582 -1.935 25702 10378 1 19 . 1 1 30 30 CYS H H 30 6.484 6.484 7.209 -0.725 25702 10379 1 19 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.139 -0.179 25702 10380 1 19 . 1 1 33 33 CYS C C 33 176.605 176.605 175.625 0.980 25702 10381 1 19 . 1 1 33 33 CYS CA C 33 63.563 63.563 60.967 2.596 25702 10382 1 19 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.068 1.159 25702 10383 1 19 . 1 1 34 34 LYS N N 34 120.638 120.638 119.788 0.850 25702 10384 1 19 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.981 -0.059 25702 10385 1 19 . 1 1 34 34 LYS C C 34 178.623 178.623 177.628 0.995 25702 10386 1 19 . 1 1 34 34 LYS CA C 34 59.122 59.122 57.891 1.231 25702 10387 1 19 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.313 0.874 25702 10388 1 19 . 1 1 34 34 LYS H H 34 7.828 7.828 7.383 0.445 25702 10389 1 19 . 1 1 35 35 MET N N 35 115.754 115.754 117.819 -2.065 25702 10390 1 19 . 1 1 35 35 MET HA H 35 4.230 4.230 4.368 -0.138 25702 10391 1 19 . 1 1 35 35 MET C C 35 177.927 177.927 177.620 0.307 25702 10392 1 19 . 1 1 35 35 MET CA C 35 56.931 56.931 55.835 1.096 25702 10393 1 19 . 1 1 35 35 MET CB C 35 32.038 32.038 32.949 -0.911 25702 10394 1 19 . 1 1 35 35 MET H H 35 7.612 7.612 7.594 0.018 25702 10395 1 19 . 1 1 36 36 ILE N N 36 114.905 114.905 119.404 -4.499 25702 10396 1 19 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.870 0.382 25702 10397 1 19 . 1 1 36 36 ILE C C 36 176.681 176.681 177.253 -0.572 25702 10398 1 19 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.109 -1.966 25702 10399 1 19 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.116 1.769 25702 10400 1 19 . 1 1 36 36 ILE H H 36 7.399 7.399 7.471 -0.072 25702 10401 1 19 . 1 1 37 37 ALA N N 37 125.154 125.154 123.080 2.074 25702 10402 1 19 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.997 0.082 25702 10403 1 19 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.816 0.255 25702 10404 1 19 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.256 -0.798 25702 10405 1 19 . 1 1 37 37 ALA H H 37 7.587 7.587 7.503 0.084 25702 10406 1 19 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.334 -0.095 25702 10407 1 19 . 1 1 38 38 PRO C C 38 179.456 179.456 177.993 1.463 25702 10408 1 19 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.725 0.462 25702 10409 1 19 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.714 -0.951 25702 10410 1 19 . 1 1 39 39 MET N N 39 117.231 117.231 118.649 -1.418 25702 10411 1 19 . 1 1 39 39 MET HA H 39 3.854 3.854 4.263 -0.409 25702 10412 1 19 . 1 1 39 39 MET C C 39 177.388 177.388 177.884 -0.496 25702 10413 1 19 . 1 1 39 39 MET CA C 39 57.916 57.916 57.994 -0.078 25702 10414 1 19 . 1 1 39 39 MET CB C 39 32.238 32.238 32.078 0.160 25702 10415 1 19 . 1 1 39 39 MET H H 39 7.051 7.051 7.715 -0.664 25702 10416 1 19 . 1 1 40 40 ILE N N 40 117.419 117.419 119.313 -1.894 25702 10417 1 19 . 1 1 40 40 ILE HA H 40 3.675 3.675 4.012 -0.337 25702 10418 1 19 . 1 1 40 40 ILE C C 40 177.699 177.699 177.172 0.527 25702 10419 1 19 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.309 -0.640 25702 10420 1 19 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.223 -2.452 25702 10421 1 19 . 1 1 40 40 ILE H H 40 7.825 7.825 7.639 0.186 25702 10422 1 19 . 1 1 41 41 GLU N N 41 119.014 119.014 119.064 -0.050 25702 10423 1 19 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.686 -0.100 25702 10424 1 19 . 1 1 41 41 GLU C C 41 180.065 180.065 178.270 1.795 25702 10425 1 19 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.487 0.920 25702 10426 1 19 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.188 -0.714 25702 10427 1 19 . 1 1 41 41 GLU H H 41 7.475 7.475 7.636 -0.161 25702 10428 1 19 . 1 1 42 42 LYS N N 42 120.988 120.988 120.325 0.663 25702 10429 1 19 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.986 -0.069 25702 10430 1 19 . 1 1 42 42 LYS C C 42 179.895 179.895 178.464 1.431 25702 10431 1 19 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.159 0.875 25702 10432 1 19 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.925 -1.080 25702 10433 1 19 . 1 1 42 42 LYS H H 42 7.402 7.402 7.690 -0.288 25702 10434 1 19 . 1 1 43 43 PHE N N 43 118.946 118.946 117.721 1.225 25702 10435 1 19 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.927 -0.763 25702 10436 1 19 . 1 1 43 43 PHE C C 43 177.806 177.806 176.749 1.057 25702 10437 1 19 . 1 1 43 43 PHE CA C 43 60.022 60.022 60.078 -0.056 25702 10438 1 19 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.678 -0.258 25702 10439 1 19 . 1 1 43 43 PHE H H 43 8.270 8.270 7.547 0.723 25702 10440 1 19 . 1 1 44 44 SER N N 44 116.035 116.035 112.422 3.613 25702 10441 1 19 . 1 1 44 44 SER HA H 44 2.873 2.873 4.260 -1.387 25702 10442 1 19 . 1 1 44 44 SER C C 44 175.522 175.522 175.438 0.084 25702 10443 1 19 . 1 1 44 44 SER CA C 44 60.173 60.173 59.180 0.993 25702 10444 1 19 . 1 1 44 44 SER CB C 44 61.911 61.911 63.252 -1.341 25702 10445 1 19 . 1 1 44 44 SER H H 44 7.763 7.763 6.779 0.984 25702 10446 1 19 . 1 1 45 45 GLU N N 45 120.563 120.563 120.054 0.509 25702 10447 1 19 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.911 0.148 25702 10448 1 19 . 1 1 45 45 GLU C C 45 177.798 177.798 177.832 -0.034 25702 10449 1 19 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.389 -1.086 25702 10450 1 19 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.586 0.051 25702 10451 1 19 . 1 1 45 45 GLU H H 45 6.888 6.888 7.217 -0.329 25702 10452 1 19 . 1 1 46 46 GLN N N 46 118.400 118.400 116.348 2.052 25702 10453 1 19 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.175 -0.248 25702 10454 1 19 . 1 1 46 46 GLN C C 46 175.422 175.422 176.454 -1.032 25702 10455 1 19 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.353 -0.320 25702 10456 1 19 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.519 -0.829 25702 10457 1 19 . 1 1 46 46 GLN H H 46 7.451 7.451 7.388 0.063 25702 10458 1 19 . 1 1 47 47 TYR N N 47 115.979 115.979 114.148 1.831 25702 10459 1 19 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.083 -0.100 25702 10460 1 19 . 1 1 47 47 TYR CA C 47 56.084 56.084 54.264 1.819 25702 10461 1 19 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.321 -0.247 25702 10462 1 19 . 1 1 47 47 TYR H H 47 7.433 7.433 7.434 -0.001 25702 10463 1 19 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.568 0.143 25702 10464 1 19 . 1 1 48 48 PRO C C 48 177.453 177.453 177.415 0.038 25702 10465 1 19 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.890 0.404 25702 10466 1 19 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.881 -0.011 25702 10467 1 19 . 1 1 49 49 GLN N N 49 119.035 119.035 118.483 0.552 25702 10468 1 19 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.254 0.106 25702 10469 1 19 . 1 1 49 49 GLN C C 49 174.990 174.990 175.449 -0.459 25702 10470 1 19 . 1 1 49 49 GLN CA C 49 56.460 56.460 57.093 -0.633 25702 10471 1 19 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.837 -1.058 25702 10472 1 19 . 1 1 49 49 GLN H H 49 9.617 9.617 8.415 1.202 25702 10473 1 19 . 1 1 50 50 ALA N N 50 127.008 127.008 121.410 5.598 25702 10474 1 19 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.558 0.489 25702 10475 1 19 . 1 1 50 50 ALA C C 50 175.173 175.173 176.286 -1.113 25702 10476 1 19 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.978 -0.929 25702 10477 1 19 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.494 0.672 25702 10478 1 19 . 1 1 50 50 ALA H H 50 8.170 8.170 7.496 0.674 25702 10479 1 19 . 1 1 51 51 ASP N N 51 120.039 120.039 121.053 -1.014 25702 10480 1 19 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.397 0.708 25702 10481 1 19 . 1 1 51 51 ASP C C 51 174.707 174.707 174.861 -0.154 25702 10482 1 19 . 1 1 51 51 ASP CA C 51 53.004 53.004 54.407 -1.403 25702 10483 1 19 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.509 1.764 25702 10484 1 19 . 1 1 51 51 ASP H H 51 8.411 8.411 8.743 -0.332 25702 10485 1 19 . 1 1 52 52 PHE N N 52 120.670 120.670 120.309 0.361 25702 10486 1 19 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.236 -0.057 25702 10487 1 19 . 1 1 52 52 PHE C C 52 174.633 174.633 174.092 0.541 25702 10488 1 19 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.580 1.132 25702 10489 1 19 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.208 2.666 25702 10490 1 19 . 1 1 52 52 PHE H H 52 8.943 8.943 7.297 1.646 25702 10491 1 19 . 1 1 53 53 TYR N N 53 120.949 120.949 122.703 -1.754 25702 10492 1 19 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.517 -0.040 25702 10493 1 19 . 1 1 53 53 TYR C C 53 174.507 174.507 174.268 0.239 25702 10494 1 19 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.646 -0.933 25702 10495 1 19 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.796 3.046 25702 10496 1 19 . 1 1 53 53 TYR H H 53 9.336 9.336 8.901 0.435 25702 10497 1 19 . 1 1 54 54 LYS N N 54 115.771 115.771 118.912 -3.141 25702 10498 1 19 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.372 0.127 25702 10499 1 19 . 1 1 54 54 LYS C C 54 173.200 173.200 173.505 -0.305 25702 10500 1 19 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.093 -1.599 25702 10501 1 19 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.462 -1.506 25702 10502 1 19 . 1 1 54 54 LYS H H 54 8.451 8.451 9.102 -0.651 25702 10503 1 19 . 1 1 55 55 LEU N N 55 123.037 123.037 119.830 3.207 25702 10504 1 19 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.543 -0.072 25702 10505 1 19 . 1 1 55 55 LEU C C 55 172.053 172.053 173.134 -1.081 25702 10506 1 19 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.184 1.202 25702 10507 1 19 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.271 -0.458 25702 10508 1 19 . 1 1 55 55 LEU H H 55 8.783 8.783 8.336 0.447 25702 10509 1 19 . 1 1 56 56 ASP N N 56 126.250 126.250 122.480 3.770 25702 10510 1 19 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.045 -0.888 25702 10511 1 19 . 1 1 56 56 ASP C C 56 178.219 178.219 177.414 0.805 25702 10512 1 19 . 1 1 56 56 ASP CA C 56 52.242 52.242 51.694 0.548 25702 10513 1 19 . 1 1 56 56 ASP CB C 56 40.748 40.748 40.709 0.039 25702 10514 1 19 . 1 1 56 56 ASP H H 56 8.580 8.580 8.444 0.136 25702 10515 1 19 . 1 1 57 57 VAL N N 57 123.015 123.015 127.115 -4.100 25702 10516 1 19 . 1 1 57 57 VAL HA H 57 3.416 3.416 3.746 -0.330 25702 10517 1 19 . 1 1 57 57 VAL C C 57 175.672 175.672 177.158 -1.486 25702 10518 1 19 . 1 1 57 57 VAL CA C 57 64.696 64.696 65.277 -0.581 25702 10519 1 19 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.581 -0.578 25702 10520 1 19 . 1 1 57 57 VAL H H 57 8.767 8.767 8.628 0.139 25702 10521 1 19 . 1 1 58 58 ASP N N 58 118.536 118.536 117.913 0.623 25702 10522 1 19 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.624 0.071 25702 10523 1 19 . 1 1 58 58 ASP C C 58 177.541 177.541 177.993 -0.452 25702 10524 1 19 . 1 1 58 58 ASP CA C 58 56.159 56.159 56.866 -0.707 25702 10525 1 19 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.361 -0.891 25702 10526 1 19 . 1 1 58 58 ASP H H 58 8.653 8.653 8.247 0.406 25702 10527 1 19 . 1 1 59 59 GLU N N 59 119.610 119.610 118.008 1.602 25702 10528 1 19 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.367 -0.014 25702 10529 1 19 . 1 1 59 59 GLU C C 59 177.106 177.106 177.527 -0.421 25702 10530 1 19 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.576 -0.207 25702 10531 1 19 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.926 0.774 25702 10532 1 19 . 1 1 59 59 GLU H H 59 7.596 7.596 7.695 -0.099 25702 10533 1 19 . 1 1 60 60 LEU N N 60 121.513 121.513 121.777 -0.264 25702 10534 1 19 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.805 0.107 25702 10535 1 19 . 1 1 60 60 LEU C C 60 177.050 177.050 176.948 0.102 25702 10536 1 19 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.975 -0.611 25702 10537 1 19 . 1 1 60 60 LEU CB C 60 41.622 41.622 39.786 1.836 25702 10538 1 19 . 1 1 60 60 LEU H H 60 7.689 7.689 8.376 -0.687 25702 10539 1 19 . 1 1 61 61 GLY N N 61 111.170 111.170 109.494 1.676 25702 10540 1 19 . 1 1 61 61 GLY C C 61 176.313 176.313 175.497 0.816 25702 10541 1 19 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.231 0.992 25702 10542 1 19 . 1 1 61 61 GLY H H 61 8.218 8.218 8.396 -0.178 25702 10543 1 19 . 1 1 62 62 ASP N N 62 119.711 119.711 119.917 -0.206 25702 10544 1 19 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.431 -0.113 25702 10545 1 19 . 1 1 62 62 ASP C C 62 178.935 178.935 177.843 1.092 25702 10546 1 19 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.293 0.386 25702 10547 1 19 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.130 -0.867 25702 10548 1 19 . 1 1 62 62 ASP H H 62 9.141 9.141 8.552 0.589 25702 10549 1 19 . 1 1 63 63 VAL N N 63 120.511 120.511 121.590 -1.079 25702 10550 1 19 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.669 -0.346 25702 10551 1 19 . 1 1 63 63 VAL C C 63 179.266 179.266 177.506 1.760 25702 10552 1 19 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.544 -0.150 25702 10553 1 19 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.546 -0.254 25702 10554 1 19 . 1 1 63 63 VAL H H 63 7.275 7.275 7.211 0.064 25702 10555 1 19 . 1 1 64 64 ALA N N 64 122.711 122.711 120.687 2.024 25702 10556 1 19 . 1 1 64 64 ALA HA H 64 3.790 3.790 4.098 -0.308 25702 10557 1 19 . 1 1 64 64 ALA C C 64 178.540 178.540 179.610 -1.070 25702 10558 1 19 . 1 1 64 64 ALA CA C 64 55.885 55.885 54.724 1.161 25702 10559 1 19 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.497 -0.680 25702 10560 1 19 . 1 1 64 64 ALA H H 64 7.264 7.264 7.830 -0.566 25702 10561 1 19 . 1 1 65 65 GLN N N 65 117.988 117.988 114.917 3.071 25702 10562 1 19 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.147 -0.090 25702 10563 1 19 . 1 1 65 65 GLN C C 65 180.544 180.544 177.404 3.140 25702 10564 1 19 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.196 1.813 25702 10565 1 19 . 1 1 65 65 GLN CB C 65 28.301 28.301 29.103 -0.802 25702 10566 1 19 . 1 1 65 65 GLN H H 65 8.344 8.344 7.726 0.618 25702 10567 1 19 . 1 1 66 66 LYS N N 66 120.050 120.050 119.836 0.214 25702 10568 1 19 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.058 -0.004 25702 10569 1 19 . 1 1 66 66 LYS C C 66 176.954 176.954 177.478 -0.524 25702 10570 1 19 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.308 0.509 25702 10571 1 19 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.307 -0.128 25702 10572 1 19 . 1 1 66 66 LYS H H 66 7.971 7.971 7.869 0.102 25702 10573 1 19 . 1 1 67 67 ASN N N 67 114.553 114.553 113.662 0.891 25702 10574 1 19 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.584 0.192 25702 10575 1 19 . 1 1 67 67 ASN C C 67 171.614 171.614 174.572 -2.958 25702 10576 1 19 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.195 1.885 25702 10577 1 19 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.006 2.103 25702 10578 1 19 . 1 1 67 67 ASN H H 67 7.064 7.064 7.594 -0.530 25702 10579 1 19 . 1 1 68 68 GLU N N 68 114.491 114.491 115.765 -1.274 25702 10580 1 19 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.942 -0.202 25702 10581 1 19 . 1 1 68 68 GLU C C 68 175.660 175.660 174.033 1.627 25702 10582 1 19 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.029 -0.023 25702 10583 1 19 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.095 -1.123 25702 10584 1 19 . 1 1 68 68 GLU H H 68 7.755 7.755 7.738 0.017 25702 10585 1 19 . 1 1 69 69 VAL N N 69 120.375 120.375 117.587 2.788 25702 10586 1 19 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.365 -0.461 25702 10587 1 19 . 1 1 69 69 VAL C C 69 175.415 175.415 174.557 0.858 25702 10588 1 19 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.113 1.757 25702 10589 1 19 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.454 -1.540 25702 10590 1 19 . 1 1 69 69 VAL H H 69 7.787 7.787 7.719 0.068 25702 10591 1 19 . 1 1 70 70 SER N N 70 121.558 121.558 123.958 -2.400 25702 10592 1 19 . 1 1 70 70 SER HA H 70 4.488 4.488 4.581 -0.093 25702 10593 1 19 . 1 1 70 70 SER C C 70 172.616 172.616 174.705 -2.089 25702 10594 1 19 . 1 1 70 70 SER CA C 70 57.728 57.728 58.641 -0.913 25702 10595 1 19 . 1 1 70 70 SER CB C 70 64.713 64.713 64.026 0.687 25702 10596 1 19 . 1 1 70 70 SER H H 70 8.565 8.565 8.655 -0.090 25702 10597 1 19 . 1 1 71 71 ALA N N 71 125.848 125.848 124.394 1.454 25702 10598 1 19 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.547 0.032 25702 10599 1 19 . 1 1 71 71 ALA C C 71 175.531 175.531 176.207 -0.676 25702 10600 1 19 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.901 -0.409 25702 10601 1 19 . 1 1 71 71 ALA CB C 71 21.362 21.362 19.816 1.546 25702 10602 1 19 . 1 1 71 71 ALA H H 71 7.861 7.861 7.931 -0.070 25702 10603 1 19 . 1 1 72 72 MET N N 72 118.991 118.991 118.415 0.576 25702 10604 1 19 . 1 1 72 72 MET HA H 72 4.879 4.879 5.150 -0.271 25702 10605 1 19 . 1 1 72 72 MET CA C 72 51.907 51.907 52.384 -0.477 25702 10606 1 19 . 1 1 72 72 MET CB C 72 35.595 35.595 35.386 0.209 25702 10607 1 19 . 1 1 72 72 MET H H 72 8.553 8.553 8.225 0.328 25702 10608 1 19 . 1 1 73 73 PRO HA H 73 5.006 5.006 5.128 -0.122 25702 10609 1 19 . 1 1 73 73 PRO C C 73 176.015 176.015 175.634 0.381 25702 10610 1 19 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.586 0.443 25702 10611 1 19 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.527 0.838 25702 10612 1 19 . 1 1 74 74 THR N N 74 114.577 114.577 117.991 -3.414 25702 10613 1 19 . 1 1 74 74 THR HA H 74 5.013 5.013 5.014 -0.001 25702 10614 1 19 . 1 1 74 74 THR C C 74 171.538 171.538 173.123 -1.585 25702 10615 1 19 . 1 1 74 74 THR CA C 74 63.556 63.556 61.967 1.589 25702 10616 1 19 . 1 1 74 74 THR CB C 74 73.238 73.238 72.321 0.917 25702 10617 1 19 . 1 1 74 74 THR H H 74 7.772 7.772 9.121 -1.349 25702 10618 1 19 . 1 1 75 75 LEU N N 75 131.086 131.086 127.557 3.529 25702 10619 1 19 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.186 0.300 25702 10620 1 19 . 1 1 75 75 LEU C C 75 174.827 174.827 175.598 -0.771 25702 10621 1 19 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.453 -1.131 25702 10622 1 19 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.180 0.969 25702 10623 1 19 . 1 1 75 75 LEU H H 75 9.517 9.517 9.321 0.196 25702 10624 1 19 . 1 1 76 76 LEU N N 76 123.573 123.573 125.658 -2.085 25702 10625 1 19 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.748 0.155 25702 10626 1 19 . 1 1 76 76 LEU C C 76 174.229 174.229 175.140 -0.911 25702 10627 1 19 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.835 -0.348 25702 10628 1 19 . 1 1 76 76 LEU CB C 76 46.070 46.070 44.753 1.317 25702 10629 1 19 . 1 1 76 76 LEU H H 76 9.214 9.214 9.202 0.012 25702 10630 1 19 . 1 1 77 77 LEU N N 77 123.032 123.032 126.029 -2.997 25702 10631 1 19 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.426 -0.178 25702 10632 1 19 . 1 1 77 77 LEU C C 77 174.961 174.961 175.782 -0.821 25702 10633 1 19 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.815 0.914 25702 10634 1 19 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.453 0.238 25702 10635 1 19 . 1 1 77 77 LEU H H 77 8.189 8.189 9.056 -0.867 25702 10636 1 19 . 1 1 78 78 PHE N N 78 121.929 121.929 123.299 -1.370 25702 10637 1 19 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.950 0.447 25702 10638 1 19 . 1 1 78 78 PHE C C 78 174.427 174.427 174.260 0.167 25702 10639 1 19 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.799 -0.418 25702 10640 1 19 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.136 0.182 25702 10641 1 19 . 1 1 78 78 PHE H H 78 9.748 9.748 9.452 0.296 25702 10642 1 19 . 1 1 79 79 LYS N N 79 117.221 117.221 120.699 -3.478 25702 10643 1 19 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.217 -0.404 25702 10644 1 19 . 1 1 79 79 LYS C C 79 177.709 177.709 176.286 1.423 25702 10645 1 19 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.277 2.145 25702 10646 1 19 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.559 0.710 25702 10647 1 19 . 1 1 79 79 LYS H H 79 8.741 8.741 9.272 -0.531 25702 10648 1 19 . 1 1 80 80 ASN N N 80 125.563 125.563 124.997 0.566 25702 10649 1 19 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.395 -0.090 25702 10650 1 19 . 1 1 80 80 ASN C C 80 175.395 175.395 175.670 -0.275 25702 10651 1 19 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.778 0.691 25702 10652 1 19 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.175 1.496 25702 10653 1 19 . 1 1 80 80 ASN H H 80 8.890 8.890 9.223 -0.333 25702 10654 1 19 . 1 1 81 81 GLY N N 81 102.976 102.976 103.115 -0.139 25702 10655 1 19 . 1 1 81 81 GLY C C 81 173.223 173.223 174.079 -0.856 25702 10656 1 19 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.354 0.291 25702 10657 1 19 . 1 1 81 81 GLY H H 81 8.640 8.640 8.799 -0.159 25702 10658 1 19 . 1 1 82 82 LYS N N 82 119.280 119.280 119.946 -0.666 25702 10659 1 19 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.701 0.022 25702 10660 1 19 . 1 1 82 82 LYS C C 82 174.897 174.897 175.274 -0.377 25702 10661 1 19 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.209 0.146 25702 10662 1 19 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.581 -0.254 25702 10663 1 19 . 1 1 82 82 LYS H H 82 7.583 7.583 7.780 -0.197 25702 10664 1 19 . 1 1 83 83 GLU N N 83 125.460 125.460 120.128 5.332 25702 10665 1 19 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.706 0.153 25702 10666 1 19 . 1 1 83 83 GLU C C 83 177.249 177.249 177.407 -0.158 25702 10667 1 19 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.472 -0.513 25702 10668 1 19 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.264 0.248 25702 10669 1 19 . 1 1 83 83 GLU H H 83 8.818 8.818 8.671 0.147 25702 10670 1 19 . 1 1 84 84 VAL N N 84 121.989 121.989 112.886 9.103 25702 10671 1 19 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.375 0.047 25702 10672 1 19 . 1 1 84 84 VAL C C 84 175.625 175.625 174.963 0.662 25702 10673 1 19 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.790 -0.707 25702 10674 1 19 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.315 -1.224 25702 10675 1 19 . 1 1 84 84 VAL H H 84 9.281 9.281 8.196 1.085 25702 10676 1 19 . 1 1 85 85 ALA N N 85 121.284 121.284 122.419 -1.135 25702 10677 1 19 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.575 -0.176 25702 10678 1 19 . 1 1 85 85 ALA C C 85 173.805 173.805 174.425 -0.620 25702 10679 1 19 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.136 0.520 25702 10680 1 19 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.405 0.582 25702 10681 1 19 . 1 1 85 85 ALA H H 85 7.564 7.564 7.540 0.024 25702 10682 1 19 . 1 1 86 86 LYS N N 86 119.558 119.558 119.557 0.001 25702 10683 1 19 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.363 -0.417 25702 10684 1 19 . 1 1 86 86 LYS C C 86 174.999 174.999 174.527 0.472 25702 10685 1 19 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.171 0.168 25702 10686 1 19 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.959 -0.354 25702 10687 1 19 . 1 1 86 86 LYS H H 86 8.000 8.000 8.143 -0.143 25702 10688 1 19 . 1 1 87 87 VAL N N 87 126.118 126.118 123.555 2.563 25702 10689 1 19 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.313 0.390 25702 10690 1 19 . 1 1 87 87 VAL C C 87 174.516 174.516 174.892 -0.376 25702 10691 1 19 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.571 -0.192 25702 10692 1 19 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.082 -0.895 25702 10693 1 19 . 1 1 87 87 VAL H H 87 9.198 9.198 8.976 0.222 25702 10694 1 19 . 1 1 88 88 VAL N N 88 128.549 128.549 128.956 -0.407 25702 10695 1 19 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.457 -0.003 25702 10696 1 19 . 1 1 88 88 VAL C C 88 176.142 176.142 175.200 0.942 25702 10697 1 19 . 1 1 88 88 VAL CA C 88 61.982 61.982 61.233 0.748 25702 10698 1 19 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.066 2.575 25702 10699 1 19 . 1 1 88 88 VAL H H 88 9.031 9.031 8.746 0.285 25702 10700 1 19 . 1 1 89 89 GLY N N 89 114.516 114.516 112.413 2.103 25702 10701 1 19 . 1 1 89 89 GLY C C 89 173.063 173.063 172.420 0.643 25702 10702 1 19 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.471 -1.965 25702 10703 1 19 . 1 1 89 89 GLY H H 89 8.379 8.379 7.493 0.886 25702 10704 1 19 . 1 1 90 90 ALA N N 90 122.292 122.292 125.912 -3.620 25702 10705 1 19 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.201 -0.006 25702 10706 1 19 . 1 1 90 90 ALA C C 90 174.897 174.897 176.322 -1.425 25702 10707 1 19 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.247 -1.808 25702 10708 1 19 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.204 -0.323 25702 10709 1 19 . 1 1 90 90 ALA H H 90 8.592 8.592 8.531 0.061 25702 10710 1 19 . 1 1 91 91 ASN N N 91 120.220 120.220 125.585 -5.365 25702 10711 1 19 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.096 0.015 25702 10712 1 19 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.879 0.133 25702 10713 1 19 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.750 -0.772 25702 10714 1 19 . 1 1 91 91 ASN H H 91 7.386 7.386 8.093 -0.707 25702 10715 1 19 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.108 -0.080 25702 10716 1 19 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.394 -4.297 25702 10717 1 19 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.070 0.025 25702 10718 1 19 . 1 1 93 93 ALA C C 93 180.205 180.205 179.050 1.155 25702 10719 1 19 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.363 0.803 25702 10720 1 19 . 1 1 93 93 ALA CB C 93 17.981 17.981 17.983 -0.002 25702 10721 1 19 . 1 1 94 94 ALA N N 94 120.499 120.499 121.286 -0.787 25702 10722 1 19 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.223 -0.162 25702 10723 1 19 . 1 1 94 94 ALA C C 94 180.917 180.917 180.076 0.841 25702 10724 1 19 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.711 -0.451 25702 10725 1 19 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.365 0.433 25702 10726 1 19 . 1 1 94 94 ALA H H 94 7.223 7.223 8.295 -1.072 25702 10727 1 19 . 1 1 95 95 ILE N N 95 119.397 119.397 119.263 0.134 25702 10728 1 19 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.805 -0.453 25702 10729 1 19 . 1 1 95 95 ILE C C 95 176.217 176.217 177.656 -1.439 25702 10730 1 19 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.271 2.682 25702 10731 1 19 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.947 1.433 25702 10732 1 19 . 1 1 95 95 ILE H H 95 7.772 7.772 8.773 -1.001 25702 10733 1 19 . 1 1 96 96 LYS N N 96 118.919 118.919 120.959 -2.040 25702 10734 1 19 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.385 -1.368 25702 10735 1 19 . 1 1 96 96 LYS C C 96 177.824 177.824 179.639 -1.815 25702 10736 1 19 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.477 1.149 25702 10737 1 19 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.398 -0.233 25702 10738 1 19 . 1 1 96 96 LYS H H 96 8.112 8.112 7.904 0.208 25702 10739 1 19 . 1 1 97 97 GLN N N 97 115.480 115.480 117.302 -1.822 25702 10740 1 19 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.248 -0.396 25702 10741 1 19 . 1 1 97 97 GLN C C 97 178.014 178.014 178.092 -0.078 25702 10742 1 19 . 1 1 97 97 GLN CA C 97 58.583 58.583 57.611 0.972 25702 10743 1 19 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.527 -0.183 25702 10744 1 19 . 1 1 97 97 GLN H H 97 7.686 7.686 7.935 -0.249 25702 10745 1 19 . 1 1 98 98 ALA N N 98 120.911 120.911 124.310 -3.399 25702 10746 1 19 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.064 -0.134 25702 10747 1 19 . 1 1 98 98 ALA C C 98 179.544 179.544 179.571 -0.027 25702 10748 1 19 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.245 -0.496 25702 10749 1 19 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.181 -0.266 25702 10750 1 19 . 1 1 98 98 ALA H H 98 7.446 7.446 7.704 -0.258 25702 10751 1 19 . 1 1 99 99 ILE N N 99 117.780 117.780 117.896 -0.116 25702 10752 1 19 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.572 -0.525 25702 10753 1 19 . 1 1 99 99 ILE C C 99 177.087 177.087 178.111 -1.024 25702 10754 1 19 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.893 2.566 25702 10755 1 19 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.947 2.185 25702 10756 1 19 . 1 1 99 99 ILE H H 99 7.735 7.735 8.537 -0.802 25702 10757 1 19 . 1 1 100 100 ALA N N 100 119.516 119.516 120.935 -1.419 25702 10758 1 19 . 1 1 100 100 ALA C C 100 180.431 180.431 178.623 1.808 25702 10759 1 19 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.328 0.917 25702 10760 1 19 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.019 0.274 25702 10761 1 19 . 1 1 100 100 ALA H H 100 8.214 8.214 7.606 0.608 25702 10762 1 19 . 1 1 101 101 ALA N N 101 115.674 115.674 120.939 -5.265 25702 10763 1 19 . 1 1 101 101 ALA HA H 101 4.070 4.070 3.997 0.073 25702 10764 1 19 . 1 1 101 101 ALA C C 101 178.213 178.213 179.330 -1.117 25702 10765 1 19 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.898 -0.014 25702 10766 1 19 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.291 -0.248 25702 10767 1 19 . 1 1 101 101 ALA H H 101 7.619 7.619 7.619 0.000 25702 10768 1 19 . 1 1 102 102 ASN N N 102 115.986 115.986 114.667 1.319 25702 10769 1 19 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.563 0.221 25702 10770 1 19 . 1 1 102 102 ASN C C 102 172.740 172.740 175.826 -3.086 25702 10771 1 19 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.435 -0.135 25702 10772 1 19 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.303 3.586 25702 10773 1 19 . 1 1 102 102 ASN H H 102 7.116 7.116 8.268 -1.152 25702 10774 1 20 . 1 1 2 2 VAL N N 2 125.020 125.020 121.124 3.896 25702 10775 1 20 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.052 0.026 25702 10776 1 20 . 1 1 2 2 VAL C C 2 175.261 175.261 176.178 -0.917 25702 10777 1 20 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.980 -0.931 25702 10778 1 20 . 1 1 2 2 VAL CB C 2 32.667 32.667 31.892 0.775 25702 10779 1 20 . 1 1 2 2 VAL H H 2 8.590 8.590 9.231 -0.641 25702 10780 1 20 . 1 1 3 3 THR N N 3 125.759 125.759 124.618 1.141 25702 10781 1 20 . 1 1 3 3 THR HA H 3 4.138 4.138 4.279 -0.141 25702 10782 1 20 . 1 1 3 3 THR C C 3 173.129 173.129 173.361 -0.232 25702 10783 1 20 . 1 1 3 3 THR CA C 3 62.804 62.804 63.395 -0.591 25702 10784 1 20 . 1 1 3 3 THR CB C 3 69.547 69.547 69.638 -0.091 25702 10785 1 20 . 1 1 3 3 THR H H 3 7.778 7.778 8.395 -0.617 25702 10786 1 20 . 1 1 4 4 GLN N N 4 127.746 127.746 125.048 2.698 25702 10787 1 20 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.640 0.099 25702 10788 1 20 . 1 1 4 4 GLN C C 4 176.754 176.754 175.541 1.213 25702 10789 1 20 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.247 -0.812 25702 10790 1 20 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.364 0.166 25702 10791 1 20 . 1 1 4 4 GLN H H 4 8.975 8.975 8.596 0.379 25702 10792 1 20 . 1 1 5 5 PHE N N 5 126.242 126.242 128.023 -1.781 25702 10793 1 20 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.543 0.274 25702 10794 1 20 . 1 1 5 5 PHE C C 5 176.102 176.102 175.433 0.669 25702 10795 1 20 . 1 1 5 5 PHE CA C 5 58.528 58.528 57.194 1.334 25702 10796 1 20 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.867 -0.346 25702 10797 1 20 . 1 1 5 5 PHE H H 5 8.422 8.422 8.758 -0.336 25702 10798 1 20 . 1 1 6 6 LYS N N 6 119.482 119.482 117.444 2.038 25702 10799 1 20 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.571 0.050 25702 10800 1 20 . 1 1 6 6 LYS C C 6 176.994 176.994 176.257 0.737 25702 10801 1 20 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.106 -0.091 25702 10802 1 20 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.780 -0.648 25702 10803 1 20 . 1 1 6 6 LYS H H 6 9.822 9.822 8.522 1.300 25702 10804 1 20 . 1 1 7 7 THR N N 7 107.464 107.464 109.113 -1.649 25702 10805 1 20 . 1 1 7 7 THR HA H 7 4.597 4.597 4.672 -0.075 25702 10806 1 20 . 1 1 7 7 THR C C 7 173.921 173.921 174.143 -0.222 25702 10807 1 20 . 1 1 7 7 THR CA C 7 59.155 59.155 59.713 -0.558 25702 10808 1 20 . 1 1 7 7 THR CB C 7 72.660 72.660 71.863 0.797 25702 10809 1 20 . 1 1 7 7 THR H H 7 7.484 7.484 7.751 -0.267 25702 10810 1 20 . 1 1 8 8 ALA N N 8 123.987 123.987 122.078 1.909 25702 10811 1 20 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.072 -0.363 25702 10812 1 20 . 1 1 8 8 ALA C C 8 179.409 179.409 179.663 -0.254 25702 10813 1 20 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.953 0.049 25702 10814 1 20 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.495 -0.405 25702 10815 1 20 . 1 1 8 8 ALA H H 8 9.031 9.031 8.573 0.458 25702 10816 1 20 . 1 1 9 9 SER N N 9 112.387 112.387 114.567 -2.180 25702 10817 1 20 . 1 1 9 9 SER HA H 9 4.127 4.127 4.016 0.111 25702 10818 1 20 . 1 1 9 9 SER C C 9 177.070 177.070 176.963 0.107 25702 10819 1 20 . 1 1 9 9 SER CA C 9 61.109 61.109 61.842 -0.732 25702 10820 1 20 . 1 1 9 9 SER CB C 9 62.226 62.226 62.752 -0.526 25702 10821 1 20 . 1 1 9 9 SER H H 9 8.161 8.161 7.991 0.170 25702 10822 1 20 . 1 1 10 10 GLU N N 10 121.941 121.941 121.990 -0.049 25702 10823 1 20 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.847 0.004 25702 10824 1 20 . 1 1 10 10 GLU C C 10 178.776 178.776 177.910 0.866 25702 10825 1 20 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.136 -0.453 25702 10826 1 20 . 1 1 10 10 GLU CB C 10 31.004 31.004 28.840 2.163 25702 10827 1 20 . 1 1 10 10 GLU H H 10 7.522 7.522 7.532 -0.010 25702 10828 1 20 . 1 1 11 11 PHE N N 11 120.541 120.541 119.681 0.860 25702 10829 1 20 . 1 1 11 11 PHE HA H 11 2.846 2.846 3.105 -0.259 25702 10830 1 20 . 1 1 11 11 PHE C C 11 174.944 174.944 176.847 -1.903 25702 10831 1 20 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.964 -0.257 25702 10832 1 20 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.862 -1.125 25702 10833 1 20 . 1 1 11 11 PHE H H 11 6.624 6.624 7.167 -0.543 25702 10834 1 20 . 1 1 12 12 ASP N N 12 117.847 117.847 118.606 -0.759 25702 10835 1 20 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.200 -0.369 25702 10836 1 20 . 1 1 12 12 ASP C C 12 178.767 178.767 178.844 -0.077 25702 10837 1 20 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.668 -0.450 25702 10838 1 20 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.073 0.226 25702 10839 1 20 . 1 1 12 12 ASP H H 12 7.637 7.637 8.293 -0.656 25702 10840 1 20 . 1 1 13 13 SER N N 13 111.904 111.904 116.104 -4.200 25702 10841 1 20 . 1 1 13 13 SER HA H 13 4.034 4.034 4.150 -0.116 25702 10842 1 20 . 1 1 13 13 SER C C 13 176.341 176.341 176.156 0.185 25702 10843 1 20 . 1 1 13 13 SER CA C 13 60.857 60.857 61.203 -0.346 25702 10844 1 20 . 1 1 13 13 SER CB C 13 63.144 63.144 62.938 0.206 25702 10845 1 20 . 1 1 13 13 SER H H 13 7.539 7.539 7.815 -0.276 25702 10846 1 20 . 1 1 14 14 ALA N N 14 123.793 123.793 122.921 0.872 25702 10847 1 20 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.973 0.054 25702 10848 1 20 . 1 1 14 14 ALA C C 14 180.358 180.358 179.245 1.113 25702 10849 1 20 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.474 0.366 25702 10850 1 20 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.354 0.472 25702 10851 1 20 . 1 1 14 14 ALA H H 14 7.647 7.647 7.507 0.140 25702 10852 1 20 . 1 1 15 15 ILE N N 15 106.782 106.782 118.898 -12.116 25702 10853 1 20 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.642 0.078 25702 10854 1 20 . 1 1 15 15 ILE C C 15 176.012 176.012 177.858 -1.846 25702 10855 1 20 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.898 1.597 25702 10856 1 20 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.257 1.538 25702 10857 1 20 . 1 1 15 15 ILE H H 15 7.146 7.146 7.656 -0.510 25702 10858 1 20 . 1 1 16 16 ALA N N 16 122.248 122.248 118.894 3.354 25702 10859 1 20 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.230 -0.199 25702 10860 1 20 . 1 1 16 16 ALA C C 16 177.072 177.072 176.949 0.123 25702 10861 1 20 . 1 1 16 16 ALA CA C 16 51.750 51.750 51.836 -0.085 25702 10862 1 20 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.311 0.059 25702 10863 1 20 . 1 1 16 16 ALA H H 16 6.627 6.627 7.518 -0.891 25702 10864 1 20 . 1 1 17 17 GLN N N 17 115.254 115.254 118.297 -3.043 25702 10865 1 20 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.274 -0.055 25702 10866 1 20 . 1 1 17 17 GLN CA C 17 55.898 55.898 54.859 1.038 25702 10867 1 20 . 1 1 17 17 GLN CB C 17 33.964 33.964 30.330 3.634 25702 10868 1 20 . 1 1 17 17 GLN H H 17 7.136 7.136 7.267 -0.131 25702 10869 1 20 . 1 1 18 18 ASP N N 18 122.840 122.840 119.856 2.984 25702 10870 1 20 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.491 0.041 25702 10871 1 20 . 1 1 18 18 ASP C C 18 175.348 175.348 175.265 0.083 25702 10872 1 20 . 1 1 18 18 ASP CA C 18 53.510 53.510 53.829 -0.319 25702 10873 1 20 . 1 1 18 18 ASP CB C 18 39.050 39.050 38.937 0.113 25702 10874 1 20 . 1 1 18 18 ASP H H 18 8.644 8.644 8.621 0.023 25702 10875 1 20 . 1 1 19 19 LYS N N 19 118.503 118.503 115.118 3.385 25702 10876 1 20 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.468 -0.085 25702 10877 1 20 . 1 1 19 19 LYS C C 19 173.289 173.289 175.116 -1.827 25702 10878 1 20 . 1 1 19 19 LYS CA C 19 54.721 54.721 53.958 0.763 25702 10879 1 20 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.650 -0.434 25702 10880 1 20 . 1 1 19 19 LYS H H 19 7.939 7.939 7.438 0.501 25702 10881 1 20 . 1 1 20 20 LEU N N 20 120.813 120.813 124.081 -3.268 25702 10882 1 20 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.759 -0.050 25702 10883 1 20 . 1 1 20 20 LEU C C 20 174.429 174.429 175.853 -1.424 25702 10884 1 20 . 1 1 20 20 LEU CA C 20 55.787 55.787 55.001 0.786 25702 10885 1 20 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.338 0.223 25702 10886 1 20 . 1 1 20 20 LEU H H 20 8.625 8.625 8.783 -0.158 25702 10887 1 20 . 1 1 21 21 VAL N N 21 128.813 128.813 128.216 0.597 25702 10888 1 20 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.318 -0.053 25702 10889 1 20 . 1 1 21 21 VAL C C 21 174.618 174.618 174.974 -0.356 25702 10890 1 20 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.744 -0.161 25702 10891 1 20 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.107 2.470 25702 10892 1 20 . 1 1 21 21 VAL H H 21 9.251 9.251 9.154 0.097 25702 10893 1 20 . 1 1 22 22 VAL N N 22 130.243 130.243 128.673 1.570 25702 10894 1 20 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.458 -0.195 25702 10895 1 20 . 1 1 22 22 VAL C C 22 174.802 174.802 174.853 -0.051 25702 10896 1 20 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.385 0.257 25702 10897 1 20 . 1 1 22 22 VAL CB C 22 32.824 32.824 32.286 0.538 25702 10898 1 20 . 1 1 22 22 VAL H H 22 8.969 8.969 9.201 -0.232 25702 10899 1 20 . 1 1 23 23 VAL N N 23 125.526 125.526 127.917 -2.391 25702 10900 1 20 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.797 -0.145 25702 10901 1 20 . 1 1 23 23 VAL C C 23 174.086 174.086 175.120 -1.034 25702 10902 1 20 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.167 1.616 25702 10903 1 20 . 1 1 23 23 VAL CB C 23 34.424 34.424 32.753 1.671 25702 10904 1 20 . 1 1 23 23 VAL H H 23 9.555 9.555 9.140 0.415 25702 10905 1 20 . 1 1 24 24 ALA N N 24 130.468 130.468 131.597 -1.129 25702 10906 1 20 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.867 0.136 25702 10907 1 20 . 1 1 24 24 ALA C C 24 175.093 175.093 175.867 -0.774 25702 10908 1 20 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.969 0.140 25702 10909 1 20 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.505 0.038 25702 10910 1 20 . 1 1 24 24 ALA H H 24 9.004 9.004 9.539 -0.535 25702 10911 1 20 . 1 1 25 25 PHE N N 25 124.289 124.289 126.789 -2.500 25702 10912 1 20 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.712 -0.693 25702 10913 1 20 . 1 1 25 25 PHE C C 25 174.794 174.794 174.946 -0.152 25702 10914 1 20 . 1 1 25 25 PHE CA C 25 57.620 57.620 55.587 2.034 25702 10915 1 20 . 1 1 25 25 PHE CB C 25 39.765 39.765 40.193 -0.428 25702 10916 1 20 . 1 1 25 25 PHE H H 25 9.455 9.455 9.315 0.140 25702 10917 1 20 . 1 1 26 26 TYR N N 26 120.967 120.967 121.988 -1.021 25702 10918 1 20 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.931 0.420 25702 10919 1 20 . 1 1 26 26 TYR C C 26 171.352 171.352 172.889 -1.537 25702 10920 1 20 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.145 -0.314 25702 10921 1 20 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.481 2.453 25702 10922 1 20 . 1 1 26 26 TYR H H 26 8.908 8.908 8.409 0.499 25702 10923 1 20 . 1 1 27 27 ALA N N 27 119.133 119.133 120.207 -1.074 25702 10924 1 20 . 1 1 27 27 ALA HA H 27 4.559 4.559 4.664 -0.105 25702 10925 1 20 . 1 1 27 27 ALA C C 27 179.092 179.092 177.768 1.324 25702 10926 1 20 . 1 1 27 27 ALA CA C 27 50.154 50.154 50.131 0.023 25702 10927 1 20 . 1 1 27 27 ALA CB C 27 21.950 21.950 19.544 2.406 25702 10928 1 20 . 1 1 27 27 ALA H H 27 6.962 6.962 8.417 -1.455 25702 10929 1 20 . 1 1 28 28 THR N N 28 116.784 116.784 117.578 -0.794 25702 10930 1 20 . 1 1 28 28 THR HA H 28 3.867 3.867 4.097 -0.230 25702 10931 1 20 . 1 1 28 28 THR C C 28 174.957 174.957 175.346 -0.389 25702 10932 1 20 . 1 1 28 28 THR CA C 28 64.820 64.820 64.337 0.483 25702 10933 1 20 . 1 1 28 28 THR CB C 28 69.197 69.197 69.043 0.153 25702 10934 1 20 . 1 1 28 28 THR H H 28 10.053 10.053 8.720 1.333 25702 10935 1 20 . 1 1 29 29 TRP N N 29 114.763 114.763 118.354 -3.591 25702 10936 1 20 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.794 -0.272 25702 10937 1 20 . 1 1 29 29 TRP C C 29 175.478 175.478 175.676 -0.198 25702 10938 1 20 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.730 -2.225 25702 10939 1 20 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.891 0.453 25702 10940 1 20 . 1 1 29 29 TRP H H 29 6.495 6.495 7.447 -0.952 25702 10941 1 20 . 1 1 30 30 CYS N N 30 122.729 122.729 121.445 1.284 25702 10942 1 20 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.678 -0.187 25702 10943 1 20 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.508 -0.007 25702 10944 1 20 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.838 -2.190 25702 10945 1 20 . 1 1 30 30 CYS H H 30 6.484 6.484 7.312 -0.829 25702 10946 1 20 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.110 -0.150 25702 10947 1 20 . 1 1 33 33 CYS C C 33 176.605 176.605 175.759 0.846 25702 10948 1 20 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.749 1.814 25702 10949 1 20 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.291 0.936 25702 10950 1 20 . 1 1 34 34 LYS N N 34 120.638 120.638 119.312 1.326 25702 10951 1 20 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.917 0.005 25702 10952 1 20 . 1 1 34 34 LYS C C 34 178.623 178.623 177.344 1.279 25702 10953 1 20 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.017 1.105 25702 10954 1 20 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.769 0.418 25702 10955 1 20 . 1 1 34 34 LYS H H 34 7.828 7.828 7.349 0.479 25702 10956 1 20 . 1 1 35 35 MET N N 35 115.754 115.754 118.215 -2.461 25702 10957 1 20 . 1 1 35 35 MET HA H 35 4.230 4.230 4.298 -0.068 25702 10958 1 20 . 1 1 35 35 MET C C 35 177.927 177.927 177.124 0.803 25702 10959 1 20 . 1 1 35 35 MET CA C 35 56.931 56.931 57.620 -0.689 25702 10960 1 20 . 1 1 35 35 MET CB C 35 32.038 32.038 33.481 -1.443 25702 10961 1 20 . 1 1 35 35 MET H H 35 7.612 7.612 7.654 -0.042 25702 10962 1 20 . 1 1 36 36 ILE N N 36 114.905 114.905 119.839 -4.934 25702 10963 1 20 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.876 0.376 25702 10964 1 20 . 1 1 36 36 ILE C C 36 176.681 176.681 177.285 -0.604 25702 10965 1 20 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.336 -2.193 25702 10966 1 20 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.197 1.688 25702 10967 1 20 . 1 1 36 36 ILE H H 36 7.399 7.399 7.458 -0.059 25702 10968 1 20 . 1 1 37 37 ALA N N 37 125.154 125.154 123.687 1.467 25702 10969 1 20 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.958 0.121 25702 10970 1 20 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.831 0.240 25702 10971 1 20 . 1 1 37 37 ALA CB C 37 15.458 15.458 15.990 -0.532 25702 10972 1 20 . 1 1 37 37 ALA H H 37 7.587 7.587 7.489 0.098 25702 10973 1 20 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.342 -0.103 25702 10974 1 20 . 1 1 38 38 PRO C C 38 179.456 179.456 178.063 1.393 25702 10975 1 20 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.789 0.398 25702 10976 1 20 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.646 -0.883 25702 10977 1 20 . 1 1 39 39 MET N N 39 117.231 117.231 118.693 -1.462 25702 10978 1 20 . 1 1 39 39 MET HA H 39 3.854 3.854 4.229 -0.375 25702 10979 1 20 . 1 1 39 39 MET C C 39 177.388 177.388 178.004 -0.616 25702 10980 1 20 . 1 1 39 39 MET CA C 39 57.916 57.916 58.161 -0.245 25702 10981 1 20 . 1 1 39 39 MET CB C 39 32.238 32.238 32.093 0.145 25702 10982 1 20 . 1 1 39 39 MET H H 39 7.051 7.051 7.881 -0.830 25702 10983 1 20 . 1 1 40 40 ILE N N 40 117.419 117.419 119.204 -1.785 25702 10984 1 20 . 1 1 40 40 ILE HA H 40 3.675 3.675 4.017 -0.342 25702 10985 1 20 . 1 1 40 40 ILE C C 40 177.699 177.699 177.197 0.502 25702 10986 1 20 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.780 -1.111 25702 10987 1 20 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.117 -2.346 25702 10988 1 20 . 1 1 40 40 ILE H H 40 7.825 7.825 7.595 0.230 25702 10989 1 20 . 1 1 41 41 GLU N N 41 119.014 119.014 119.658 -0.644 25702 10990 1 20 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.663 -0.077 25702 10991 1 20 . 1 1 41 41 GLU C C 41 180.065 180.065 177.817 2.248 25702 10992 1 20 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.759 0.648 25702 10993 1 20 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.384 -0.910 25702 10994 1 20 . 1 1 41 41 GLU H H 41 7.475 7.475 7.638 -0.163 25702 10995 1 20 . 1 1 42 42 LYS N N 42 120.988 120.988 119.578 1.410 25702 10996 1 20 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.976 -0.059 25702 10997 1 20 . 1 1 42 42 LYS C C 42 179.895 179.895 178.561 1.334 25702 10998 1 20 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.718 0.316 25702 10999 1 20 . 1 1 42 42 LYS CB C 42 30.845 30.845 32.226 -1.381 25702 11000 1 20 . 1 1 42 42 LYS H H 42 7.402 7.402 7.516 -0.114 25702 11001 1 20 . 1 1 43 43 PHE N N 43 118.946 118.946 118.327 0.619 25702 11002 1 20 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.929 -0.765 25702 11003 1 20 . 1 1 43 43 PHE C C 43 177.806 177.806 176.621 1.185 25702 11004 1 20 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.495 0.527 25702 11005 1 20 . 1 1 43 43 PHE CB C 43 37.420 37.420 38.073 -0.653 25702 11006 1 20 . 1 1 43 43 PHE H H 43 8.270 8.270 7.590 0.680 25702 11007 1 20 . 1 1 44 44 SER N N 44 116.035 116.035 112.941 3.094 25702 11008 1 20 . 1 1 44 44 SER HA H 44 2.873 2.873 4.284 -1.411 25702 11009 1 20 . 1 1 44 44 SER C C 44 175.522 175.522 175.412 0.110 25702 11010 1 20 . 1 1 44 44 SER CA C 44 60.173 60.173 59.045 1.128 25702 11011 1 20 . 1 1 44 44 SER CB C 44 61.911 61.911 63.122 -1.211 25702 11012 1 20 . 1 1 44 44 SER H H 44 7.763 7.763 6.831 0.932 25702 11013 1 20 . 1 1 45 45 GLU N N 45 120.563 120.563 121.370 -0.807 25702 11014 1 20 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.919 0.140 25702 11015 1 20 . 1 1 45 45 GLU C C 45 177.798 177.798 177.822 -0.024 25702 11016 1 20 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.462 -1.159 25702 11017 1 20 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.669 -0.032 25702 11018 1 20 . 1 1 45 45 GLU H H 45 6.888 6.888 7.346 -0.458 25702 11019 1 20 . 1 1 46 46 GLN N N 46 118.400 118.400 116.730 1.670 25702 11020 1 20 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.152 -0.225 25702 11021 1 20 . 1 1 46 46 GLN C C 46 175.422 175.422 176.706 -1.284 25702 11022 1 20 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.490 -0.457 25702 11023 1 20 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.712 -1.022 25702 11024 1 20 . 1 1 46 46 GLN H H 46 7.451 7.451 7.316 0.135 25702 11025 1 20 . 1 1 47 47 TYR N N 47 115.979 115.979 114.285 1.694 25702 11026 1 20 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.099 -0.116 25702 11027 1 20 . 1 1 47 47 TYR CA C 47 56.084 56.084 54.240 1.844 25702 11028 1 20 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.095 -0.021 25702 11029 1 20 . 1 1 47 47 TYR H H 47 7.433 7.433 7.457 -0.024 25702 11030 1 20 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.572 0.139 25702 11031 1 20 . 1 1 48 48 PRO C C 48 177.453 177.453 177.816 -0.363 25702 11032 1 20 . 1 1 48 48 PRO CA C 48 64.294 64.294 64.101 0.193 25702 11033 1 20 . 1 1 48 48 PRO CB C 48 31.870 31.870 31.970 -0.100 25702 11034 1 20 . 1 1 49 49 GLN N N 49 119.035 119.035 117.222 1.813 25702 11035 1 20 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.270 0.090 25702 11036 1 20 . 1 1 49 49 GLN C C 49 174.990 174.990 175.789 -0.799 25702 11037 1 20 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.997 -0.537 25702 11038 1 20 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.050 -0.271 25702 11039 1 20 . 1 1 49 49 GLN H H 49 9.617 9.617 8.531 1.086 25702 11040 1 20 . 1 1 50 50 ALA N N 50 127.008 127.008 122.428 4.580 25702 11041 1 20 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.653 0.394 25702 11042 1 20 . 1 1 50 50 ALA C C 50 175.173 175.173 176.271 -1.098 25702 11043 1 20 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.631 -0.582 25702 11044 1 20 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.321 0.845 25702 11045 1 20 . 1 1 50 50 ALA H H 50 8.170 8.170 7.595 0.575 25702 11046 1 20 . 1 1 51 51 ASP N N 51 120.039 120.039 121.107 -1.068 25702 11047 1 20 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.419 0.686 25702 11048 1 20 . 1 1 51 51 ASP C C 51 174.707 174.707 174.948 -0.241 25702 11049 1 20 . 1 1 51 51 ASP CA C 51 53.004 53.004 54.337 -1.333 25702 11050 1 20 . 1 1 51 51 ASP CB C 51 44.273 44.273 42.470 1.803 25702 11051 1 20 . 1 1 51 51 ASP H H 51 8.411 8.411 8.838 -0.427 25702 11052 1 20 . 1 1 52 52 PHE N N 52 120.670 120.670 119.817 0.853 25702 11053 1 20 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.264 -0.085 25702 11054 1 20 . 1 1 52 52 PHE C C 52 174.633 174.633 174.000 0.633 25702 11055 1 20 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.536 1.176 25702 11056 1 20 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.409 2.465 25702 11057 1 20 . 1 1 52 52 PHE H H 52 8.943 8.943 7.322 1.621 25702 11058 1 20 . 1 1 53 53 TYR N N 53 120.949 120.949 122.609 -1.660 25702 11059 1 20 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.347 0.130 25702 11060 1 20 . 1 1 53 53 TYR C C 53 174.507 174.507 174.775 -0.268 25702 11061 1 20 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.603 -0.890 25702 11062 1 20 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.617 3.225 25702 11063 1 20 . 1 1 53 53 TYR H H 53 9.336 9.336 8.758 0.578 25702 11064 1 20 . 1 1 54 54 LYS N N 54 115.771 115.771 120.662 -4.891 25702 11065 1 20 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.391 0.108 25702 11066 1 20 . 1 1 54 54 LYS C C 54 173.200 173.200 174.102 -0.902 25702 11067 1 20 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.223 -1.728 25702 11068 1 20 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.362 -1.406 25702 11069 1 20 . 1 1 54 54 LYS H H 54 8.451 8.451 9.087 -0.636 25702 11070 1 20 . 1 1 55 55 LEU N N 55 123.037 123.037 120.085 2.952 25702 11071 1 20 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.494 -0.023 25702 11072 1 20 . 1 1 55 55 LEU C C 55 172.053 172.053 172.628 -0.575 25702 11073 1 20 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.336 1.050 25702 11074 1 20 . 1 1 55 55 LEU CB C 55 45.813 45.813 45.597 0.216 25702 11075 1 20 . 1 1 55 55 LEU H H 55 8.783 8.783 8.986 -0.203 25702 11076 1 20 . 1 1 56 56 ASP N N 56 126.250 126.250 121.444 4.806 25702 11077 1 20 . 1 1 56 56 ASP HA H 56 4.157 4.157 4.828 -0.671 25702 11078 1 20 . 1 1 56 56 ASP C C 56 178.219 178.219 177.053 1.166 25702 11079 1 20 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.033 0.209 25702 11080 1 20 . 1 1 56 56 ASP CB C 56 40.748 40.748 42.716 -1.968 25702 11081 1 20 . 1 1 56 56 ASP H H 56 8.580 8.580 7.928 0.652 25702 11082 1 20 . 1 1 57 57 VAL N N 57 123.015 123.015 117.425 5.590 25702 11083 1 20 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.087 -0.671 25702 11084 1 20 . 1 1 57 57 VAL C C 57 175.672 175.672 175.952 -0.280 25702 11085 1 20 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.245 0.451 25702 11086 1 20 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.828 -0.825 25702 11087 1 20 . 1 1 57 57 VAL H H 57 8.767 8.767 8.561 0.206 25702 11088 1 20 . 1 1 58 58 ASP N N 58 118.536 118.536 118.848 -0.312 25702 11089 1 20 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.512 0.183 25702 11090 1 20 . 1 1 58 58 ASP C C 58 177.541 177.541 178.162 -0.621 25702 11091 1 20 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.391 -1.232 25702 11092 1 20 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.173 -0.703 25702 11093 1 20 . 1 1 58 58 ASP H H 58 8.653 8.653 8.100 0.553 25702 11094 1 20 . 1 1 59 59 GLU N N 59 119.610 119.610 118.546 1.064 25702 11095 1 20 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.321 0.032 25702 11096 1 20 . 1 1 59 59 GLU C C 59 177.106 177.106 177.382 -0.276 25702 11097 1 20 . 1 1 59 59 GLU CA C 59 57.369 57.369 58.050 -0.680 25702 11098 1 20 . 1 1 59 59 GLU CB C 59 31.700 31.700 31.034 0.666 25702 11099 1 20 . 1 1 59 59 GLU H H 59 7.596 7.596 8.274 -0.678 25702 11100 1 20 . 1 1 60 60 LEU N N 60 121.513 121.513 120.605 0.908 25702 11101 1 20 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.762 0.150 25702 11102 1 20 . 1 1 60 60 LEU C C 60 177.050 177.050 176.726 0.324 25702 11103 1 20 . 1 1 60 60 LEU CA C 60 52.364 52.364 52.961 -0.597 25702 11104 1 20 . 1 1 60 60 LEU CB C 60 41.622 41.622 40.172 1.450 25702 11105 1 20 . 1 1 60 60 LEU H H 60 7.689 7.689 8.242 -0.553 25702 11106 1 20 . 1 1 61 61 GLY N N 61 111.170 111.170 110.059 1.111 25702 11107 1 20 . 1 1 61 61 GLY C C 61 176.313 176.313 175.543 0.770 25702 11108 1 20 . 1 1 61 61 GLY CA C 61 48.223 48.223 46.752 1.471 25702 11109 1 20 . 1 1 61 61 GLY H H 61 8.218 8.218 8.563 -0.345 25702 11110 1 20 . 1 1 62 62 ASP N N 62 119.711 119.711 120.839 -1.128 25702 11111 1 20 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.428 -0.110 25702 11112 1 20 . 1 1 62 62 ASP C C 62 178.935 178.935 177.943 0.992 25702 11113 1 20 . 1 1 62 62 ASP CA C 62 56.679 56.679 57.230 -0.550 25702 11114 1 20 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.298 -1.035 25702 11115 1 20 . 1 1 62 62 ASP H H 62 9.141 9.141 8.670 0.471 25702 11116 1 20 . 1 1 63 63 VAL N N 63 120.511 120.511 120.153 0.358 25702 11117 1 20 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.691 -0.368 25702 11118 1 20 . 1 1 63 63 VAL C C 63 179.266 179.266 177.576 1.690 25702 11119 1 20 . 1 1 63 63 VAL CA C 63 65.394 65.394 66.070 -0.676 25702 11120 1 20 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.597 -0.305 25702 11121 1 20 . 1 1 63 63 VAL H H 63 7.275 7.275 7.699 -0.424 25702 11122 1 20 . 1 1 64 64 ALA N N 64 122.711 122.711 121.171 1.540 25702 11123 1 20 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.905 -0.115 25702 11124 1 20 . 1 1 64 64 ALA C C 64 178.540 178.540 179.855 -1.315 25702 11125 1 20 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.391 0.494 25702 11126 1 20 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.368 -0.551 25702 11127 1 20 . 1 1 64 64 ALA H H 64 7.264 7.264 7.762 -0.498 25702 11128 1 20 . 1 1 65 65 GLN N N 65 117.988 117.988 116.503 1.485 25702 11129 1 20 . 1 1 65 65 GLN HA H 65 4.057 4.057 3.985 0.072 25702 11130 1 20 . 1 1 65 65 GLN C C 65 180.544 180.544 178.502 2.042 25702 11131 1 20 . 1 1 65 65 GLN CA C 65 59.009 59.009 58.150 0.859 25702 11132 1 20 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.734 -0.433 25702 11133 1 20 . 1 1 65 65 GLN H H 65 8.344 8.344 8.177 0.167 25702 11134 1 20 . 1 1 66 66 LYS N N 66 120.050 120.050 118.848 1.202 25702 11135 1 20 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.004 0.050 25702 11136 1 20 . 1 1 66 66 LYS C C 66 176.954 176.954 176.988 -0.034 25702 11137 1 20 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.209 0.608 25702 11138 1 20 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.053 0.126 25702 11139 1 20 . 1 1 66 66 LYS H H 66 7.971 7.971 7.664 0.307 25702 11140 1 20 . 1 1 67 67 ASN N N 67 114.553 114.553 115.128 -0.575 25702 11141 1 20 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.513 0.263 25702 11142 1 20 . 1 1 67 67 ASN C C 67 171.614 171.614 174.754 -3.140 25702 11143 1 20 . 1 1 67 67 ASN CA C 67 54.080 54.080 53.016 1.064 25702 11144 1 20 . 1 1 67 67 ASN CB C 67 40.109 40.109 39.166 0.943 25702 11145 1 20 . 1 1 67 67 ASN H H 67 7.064 7.064 7.318 -0.254 25702 11146 1 20 . 1 1 68 68 GLU N N 68 114.491 114.491 113.638 0.853 25702 11147 1 20 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.881 -0.140 25702 11148 1 20 . 1 1 68 68 GLU C C 68 175.660 175.660 174.356 1.304 25702 11149 1 20 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.267 -0.261 25702 11150 1 20 . 1 1 68 68 GLU CB C 68 26.972 26.972 27.713 -0.741 25702 11151 1 20 . 1 1 68 68 GLU H H 68 7.755 7.755 7.839 -0.084 25702 11152 1 20 . 1 1 69 69 VAL N N 69 120.375 120.375 120.089 0.286 25702 11153 1 20 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.335 -0.431 25702 11154 1 20 . 1 1 69 69 VAL C C 69 175.415 175.415 174.840 0.575 25702 11155 1 20 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.069 1.801 25702 11156 1 20 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.117 -1.203 25702 11157 1 20 . 1 1 69 69 VAL H H 69 7.787 7.787 7.930 -0.143 25702 11158 1 20 . 1 1 70 70 SER N N 70 121.558 121.558 123.270 -1.712 25702 11159 1 20 . 1 1 70 70 SER HA H 70 4.488 4.488 4.552 -0.064 25702 11160 1 20 . 1 1 70 70 SER C C 70 172.616 172.616 174.908 -2.292 25702 11161 1 20 . 1 1 70 70 SER CA C 70 57.728 57.728 58.240 -0.512 25702 11162 1 20 . 1 1 70 70 SER CB C 70 64.713 64.713 63.956 0.757 25702 11163 1 20 . 1 1 70 70 SER H H 70 8.565 8.565 8.653 -0.088 25702 11164 1 20 . 1 1 71 71 ALA N N 71 125.848 125.848 125.887 -0.039 25702 11165 1 20 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.635 -0.056 25702 11166 1 20 . 1 1 71 71 ALA C C 71 175.531 175.531 175.951 -0.420 25702 11167 1 20 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.634 -0.142 25702 11168 1 20 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.404 0.958 25702 11169 1 20 . 1 1 71 71 ALA H H 71 7.861 7.861 8.165 -0.304 25702 11170 1 20 . 1 1 72 72 MET N N 72 118.991 118.991 116.664 2.327 25702 11171 1 20 . 1 1 72 72 MET HA H 72 4.879 4.879 4.904 -0.025 25702 11172 1 20 . 1 1 72 72 MET CA C 72 51.907 51.907 52.732 -0.825 25702 11173 1 20 . 1 1 72 72 MET CB C 72 35.595 35.595 33.932 1.663 25702 11174 1 20 . 1 1 72 72 MET H H 72 8.553 8.553 8.348 0.205 25702 11175 1 20 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.821 0.185 25702 11176 1 20 . 1 1 73 73 PRO C C 73 176.015 176.015 175.998 0.017 25702 11177 1 20 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.509 0.520 25702 11178 1 20 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.264 1.101 25702 11179 1 20 . 1 1 74 74 THR N N 74 114.577 114.577 117.020 -2.443 25702 11180 1 20 . 1 1 74 74 THR HA H 74 5.013 5.013 5.086 -0.073 25702 11181 1 20 . 1 1 74 74 THR C C 74 171.538 171.538 173.304 -1.766 25702 11182 1 20 . 1 1 74 74 THR CA C 74 63.556 63.556 61.921 1.635 25702 11183 1 20 . 1 1 74 74 THR CB C 74 73.238 73.238 72.282 0.956 25702 11184 1 20 . 1 1 74 74 THR H H 74 7.772 7.772 9.048 -1.276 25702 11185 1 20 . 1 1 75 75 LEU N N 75 131.086 131.086 126.529 4.557 25702 11186 1 20 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.345 0.141 25702 11187 1 20 . 1 1 75 75 LEU C C 75 174.827 174.827 175.294 -0.467 25702 11188 1 20 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.151 -0.829 25702 11189 1 20 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.932 0.217 25702 11190 1 20 . 1 1 75 75 LEU H H 75 9.517 9.517 9.370 0.147 25702 11191 1 20 . 1 1 76 76 LEU N N 76 123.573 123.573 125.234 -1.661 25702 11192 1 20 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.820 0.083 25702 11193 1 20 . 1 1 76 76 LEU C C 76 174.229 174.229 175.135 -0.906 25702 11194 1 20 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.865 -0.378 25702 11195 1 20 . 1 1 76 76 LEU CB C 76 46.070 46.070 44.980 1.090 25702 11196 1 20 . 1 1 76 76 LEU H H 76 9.214 9.214 9.173 0.041 25702 11197 1 20 . 1 1 77 77 LEU N N 77 123.032 123.032 125.979 -2.947 25702 11198 1 20 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.549 -0.301 25702 11199 1 20 . 1 1 77 77 LEU C C 77 174.961 174.961 175.794 -0.833 25702 11200 1 20 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.534 1.195 25702 11201 1 20 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.737 -0.046 25702 11202 1 20 . 1 1 77 77 LEU H H 77 8.189 8.189 9.146 -0.957 25702 11203 1 20 . 1 1 78 78 PHE N N 78 121.929 121.929 123.126 -1.197 25702 11204 1 20 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.883 0.514 25702 11205 1 20 . 1 1 78 78 PHE C C 78 174.427 174.427 174.633 -0.206 25702 11206 1 20 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.928 -0.547 25702 11207 1 20 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.022 0.296 25702 11208 1 20 . 1 1 78 78 PHE H H 78 9.748 9.748 9.299 0.449 25702 11209 1 20 . 1 1 79 79 LYS N N 79 117.221 117.221 121.724 -4.503 25702 11210 1 20 . 1 1 79 79 LYS HA H 79 4.813 4.813 4.796 0.017 25702 11211 1 20 . 1 1 79 79 LYS C C 79 177.709 177.709 176.684 1.025 25702 11212 1 20 . 1 1 79 79 LYS CA C 79 57.422 57.422 54.983 2.439 25702 11213 1 20 . 1 1 79 79 LYS CB C 79 36.270 36.270 33.994 2.276 25702 11214 1 20 . 1 1 79 79 LYS H H 79 8.741 8.741 9.001 -0.260 25702 11215 1 20 . 1 1 80 80 ASN N N 80 125.563 125.563 125.214 0.349 25702 11216 1 20 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.479 -0.174 25702 11217 1 20 . 1 1 80 80 ASN C C 80 175.395 175.395 175.708 -0.313 25702 11218 1 20 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.851 0.618 25702 11219 1 20 . 1 1 80 80 ASN CB C 80 37.671 37.671 37.051 0.620 25702 11220 1 20 . 1 1 80 80 ASN H H 80 8.890 8.890 8.998 -0.108 25702 11221 1 20 . 1 1 81 81 GLY N N 81 102.976 102.976 103.654 -0.678 25702 11222 1 20 . 1 1 81 81 GLY C C 81 173.223 173.223 173.991 -0.768 25702 11223 1 20 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.527 0.118 25702 11224 1 20 . 1 1 81 81 GLY H H 81 8.640 8.640 8.634 0.006 25702 11225 1 20 . 1 1 82 82 LYS N N 82 119.280 119.280 119.628 -0.348 25702 11226 1 20 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.658 0.065 25702 11227 1 20 . 1 1 82 82 LYS C C 82 174.897 174.897 175.203 -0.306 25702 11228 1 20 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.184 0.171 25702 11229 1 20 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.713 -0.386 25702 11230 1 20 . 1 1 82 82 LYS H H 82 7.583 7.583 7.580 0.003 25702 11231 1 20 . 1 1 83 83 GLU N N 83 125.460 125.460 120.527 4.933 25702 11232 1 20 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.656 0.203 25702 11233 1 20 . 1 1 83 83 GLU C C 83 177.249 177.249 177.168 0.081 25702 11234 1 20 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.300 -0.341 25702 11235 1 20 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.287 0.225 25702 11236 1 20 . 1 1 83 83 GLU H H 83 8.818 8.818 8.683 0.135 25702 11237 1 20 . 1 1 84 84 VAL N N 84 121.989 121.989 114.234 7.755 25702 11238 1 20 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.411 0.011 25702 11239 1 20 . 1 1 84 84 VAL C C 84 175.625 175.625 175.196 0.429 25702 11240 1 20 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.953 -0.870 25702 11241 1 20 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.509 -1.418 25702 11242 1 20 . 1 1 84 84 VAL H H 84 9.281 9.281 8.081 1.200 25702 11243 1 20 . 1 1 85 85 ALA N N 85 121.284 121.284 122.628 -1.344 25702 11244 1 20 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.475 -0.076 25702 11245 1 20 . 1 1 85 85 ALA C C 85 173.805 173.805 174.988 -1.183 25702 11246 1 20 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.363 0.293 25702 11247 1 20 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.207 0.780 25702 11248 1 20 . 1 1 85 85 ALA H H 85 7.564 7.564 7.435 0.129 25702 11249 1 20 . 1 1 86 86 LYS N N 86 119.558 119.558 121.478 -1.920 25702 11250 1 20 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.415 -0.469 25702 11251 1 20 . 1 1 86 86 LYS C C 86 174.999 174.999 174.582 0.417 25702 11252 1 20 . 1 1 86 86 LYS CA C 86 55.339 55.339 54.678 0.661 25702 11253 1 20 . 1 1 86 86 LYS CB C 86 35.605 35.605 34.815 0.790 25702 11254 1 20 . 1 1 86 86 LYS H H 86 8.000 8.000 8.194 -0.194 25702 11255 1 20 . 1 1 87 87 VAL N N 87 126.118 126.118 123.376 2.742 25702 11256 1 20 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.437 0.266 25702 11257 1 20 . 1 1 87 87 VAL C C 87 174.516 174.516 175.074 -0.558 25702 11258 1 20 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.472 -0.093 25702 11259 1 20 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.008 -0.821 25702 11260 1 20 . 1 1 87 87 VAL H H 87 9.198 9.198 9.066 0.132 25702 11261 1 20 . 1 1 88 88 VAL N N 88 128.549 128.549 122.517 6.032 25702 11262 1 20 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.596 -0.142 25702 11263 1 20 . 1 1 88 88 VAL C C 88 176.142 176.142 175.331 0.811 25702 11264 1 20 . 1 1 88 88 VAL CA C 88 61.982 61.982 60.407 1.575 25702 11265 1 20 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.349 2.292 25702 11266 1 20 . 1 1 88 88 VAL H H 88 9.031 9.031 8.570 0.461 25702 11267 1 20 . 1 1 89 89 GLY N N 89 114.516 114.516 108.429 6.087 25702 11268 1 20 . 1 1 89 89 GLY C C 89 173.063 173.063 173.179 -0.116 25702 11269 1 20 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.011 -1.506 25702 11270 1 20 . 1 1 89 89 GLY H H 89 8.379 8.379 7.432 0.947 25702 11271 1 20 . 1 1 90 90 ALA N N 90 122.292 122.292 124.953 -2.661 25702 11272 1 20 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.157 0.038 25702 11273 1 20 . 1 1 90 90 ALA C C 90 174.897 174.897 176.338 -1.441 25702 11274 1 20 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.503 -2.064 25702 11275 1 20 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.444 -0.563 25702 11276 1 20 . 1 1 90 90 ALA H H 90 8.592 8.592 8.508 0.084 25702 11277 1 20 . 1 1 91 91 ASN N N 91 120.220 120.220 126.006 -5.786 25702 11278 1 20 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.024 0.087 25702 11279 1 20 . 1 1 91 91 ASN CA C 91 50.012 50.012 50.055 -0.043 25702 11280 1 20 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.762 -0.784 25702 11281 1 20 . 1 1 91 91 ASN H H 91 7.386 7.386 8.327 -0.941 25702 11282 1 20 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.036 -0.008 25702 11283 1 20 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.404 -4.308 25702 11284 1 20 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.187 -0.092 25702 11285 1 20 . 1 1 93 93 ALA C C 93 180.205 180.205 179.393 0.812 25702 11286 1 20 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.426 0.740 25702 11287 1 20 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.367 -0.386 25702 11288 1 20 . 1 1 94 94 ALA N N 94 120.499 120.499 121.741 -1.242 25702 11289 1 20 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.185 -0.124 25702 11290 1 20 . 1 1 94 94 ALA C C 94 180.917 180.917 180.145 0.772 25702 11291 1 20 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.798 -0.538 25702 11292 1 20 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.315 0.483 25702 11293 1 20 . 1 1 94 94 ALA H H 94 7.223 7.223 8.319 -1.096 25702 11294 1 20 . 1 1 95 95 ILE N N 95 119.397 119.397 118.870 0.527 25702 11295 1 20 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.768 -0.416 25702 11296 1 20 . 1 1 95 95 ILE C C 95 176.217 176.217 177.959 -1.742 25702 11297 1 20 . 1 1 95 95 ILE CA C 95 65.953 65.953 63.460 2.493 25702 11298 1 20 . 1 1 95 95 ILE CB C 95 38.380 38.380 37.092 1.288 25702 11299 1 20 . 1 1 95 95 ILE H H 95 7.772 7.772 8.763 -0.991 25702 11300 1 20 . 1 1 96 96 LYS N N 96 118.919 118.919 119.412 -0.493 25702 11301 1 20 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.479 -1.462 25702 11302 1 20 . 1 1 96 96 LYS C C 96 177.824 177.824 179.719 -1.895 25702 11303 1 20 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.149 1.477 25702 11304 1 20 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.278 -0.113 25702 11305 1 20 . 1 1 96 96 LYS H H 96 8.112 8.112 7.939 0.173 25702 11306 1 20 . 1 1 97 97 GLN N N 97 115.480 115.480 118.853 -3.373 25702 11307 1 20 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.181 -0.329 25702 11308 1 20 . 1 1 97 97 GLN C C 97 178.014 178.014 177.505 0.509 25702 11309 1 20 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.170 0.413 25702 11310 1 20 . 1 1 97 97 GLN CB C 97 28.344 28.344 29.044 -0.700 25702 11311 1 20 . 1 1 97 97 GLN H H 97 7.686 7.686 8.118 -0.432 25702 11312 1 20 . 1 1 98 98 ALA N N 98 120.911 120.911 123.661 -2.750 25702 11313 1 20 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.011 -0.081 25702 11314 1 20 . 1 1 98 98 ALA C C 98 179.544 179.544 180.095 -0.551 25702 11315 1 20 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.148 -0.398 25702 11316 1 20 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.060 -0.145 25702 11317 1 20 . 1 1 98 98 ALA H H 98 7.446 7.446 7.680 -0.234 25702 11318 1 20 . 1 1 99 99 ILE N N 99 117.780 117.780 118.443 -0.663 25702 11319 1 20 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.918 -0.871 25702 11320 1 20 . 1 1 99 99 ILE C C 99 177.087 177.087 178.130 -1.043 25702 11321 1 20 . 1 1 99 99 ILE CA C 99 65.459 65.459 62.676 2.783 25702 11322 1 20 . 1 1 99 99 ILE CB C 99 38.132 38.132 35.744 2.388 25702 11323 1 20 . 1 1 99 99 ILE H H 99 7.735 7.735 8.315 -0.580 25702 11324 1 20 . 1 1 100 100 ALA N N 100 119.516 119.516 121.049 -1.533 25702 11325 1 20 . 1 1 100 100 ALA C C 100 180.431 180.431 178.230 2.201 25702 11326 1 20 . 1 1 100 100 ALA CA C 100 55.245 55.245 53.837 1.408 25702 11327 1 20 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.209 0.084 25702 11328 1 20 . 1 1 100 100 ALA H H 100 8.214 8.214 7.543 0.671 25702 11329 1 20 . 1 1 101 101 ALA N N 101 115.674 115.674 121.567 -5.893 25702 11330 1 20 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.176 -0.106 25702 11331 1 20 . 1 1 101 101 ALA C C 101 178.213 178.213 178.821 -0.608 25702 11332 1 20 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.462 0.423 25702 11333 1 20 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.608 -0.565 25702 11334 1 20 . 1 1 101 101 ALA H H 101 7.619 7.619 8.276 -0.657 25702 11335 1 20 . 1 1 102 102 ASN N N 102 115.986 115.986 114.986 1.000 25702 11336 1 20 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.649 0.135 25702 11337 1 20 . 1 1 102 102 ASN C C 102 172.740 172.740 175.883 -3.143 25702 11338 1 20 . 1 1 102 102 ASN CA C 102 54.300 54.300 53.103 1.197 25702 11339 1 20 . 1 1 102 102 ASN CB C 102 42.889 42.889 38.985 3.904 25702 11340 1 20 . 1 1 102 102 ASN H H 102 7.116 7.116 8.127 -1.011 25702 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 93 3.080 0.162 3.093 25702 2 1 1 "Average Difference" HA 101 0.346 0.069 0.341 25702 3 1 1 "Average Difference" C 92 1.031 0.054 1.035 25702 4 1 1 "Average Difference" CA 99 1.180 -0.042 1.186 25702 5 1 1 "Average Difference" CB 95 1.213 -0.168 1.208 25702 6 1 1 "Average Difference" HN 93 0.617 0.025 0.620 25702 7 1 2 "Average Difference" N 93 2.858 0.158 2.870 25702 8 1 2 "Average Difference" HA 101 0.372 0.068 0.367 25702 9 1 2 "Average Difference" C 92 1.014 0.137 1.010 25702 10 1 2 "Average Difference" CA 99 1.167 -0.131 1.165 25702 11 1 2 "Average Difference" CB 95 1.208 -0.144 1.206 25702 12 1 2 "Average Difference" HN 93 0.596 0.059 0.597 25702 13 1 3 "Average Difference" N 93 2.782 0.013 2.797 25702 14 1 3 "Average Difference" HA 101 0.327 0.089 0.316 25702 15 1 3 "Average Difference" C 92 1.057 0.045 1.062 25702 16 1 3 "Average Difference" CA 99 1.202 -0.188 1.193 25702 17 1 3 "Average Difference" CB 95 1.220 -0.141 1.219 25702 18 1 3 "Average Difference" HN 93 0.607 0.053 0.608 25702 19 1 4 "Average Difference" N 93 2.993 0.070 3.009 25702 20 1 4 "Average Difference" HA 101 0.356 0.064 0.352 25702 21 1 4 "Average Difference" C 92 1.054 0.133 1.051 25702 22 1 4 "Average Difference" CA 99 1.175 -0.112 1.175 25702 23 1 4 "Average Difference" CB 95 1.240 -0.271 1.217 25702 24 1 4 "Average Difference" HN 93 0.614 0.054 0.615 25702 25 1 5 "Average Difference" N 93 2.896 0.016 2.911 25702 26 1 5 "Average Difference" HA 101 0.346 0.071 0.340 25702 27 1 5 "Average Difference" C 92 1.022 0.094 1.023 25702 28 1 5 "Average Difference" CA 99 1.125 -0.087 1.127 25702 29 1 5 "Average Difference" CB 95 1.229 -0.171 1.223 25702 30 1 5 "Average Difference" HN 93 0.595 0.027 0.598 25702 31 1 6 "Average Difference" N 93 3.169 -0.090 3.185 25702 32 1 6 "Average Difference" HA 101 0.336 0.106 0.321 25702 33 1 6 "Average Difference" C 92 1.103 0.060 1.108 25702 34 1 6 "Average Difference" CA 99 1.116 -0.148 1.112 25702 35 1 6 "Average Difference" CB 95 1.222 -0.186 1.214 25702 36 1 6 "Average Difference" HN 93 0.611 0.055 0.612 25702 37 1 7 "Average Difference" N 93 3.146 -0.134 3.160 25702 38 1 7 "Average Difference" HA 101 0.350 0.067 0.346 25702 39 1 7 "Average Difference" C 92 0.965 0.119 0.963 25702 40 1 7 "Average Difference" CA 99 1.171 -0.081 1.174 25702 41 1 7 "Average Difference" CB 95 1.165 -0.153 1.161 25702 42 1 7 "Average Difference" HN 93 0.581 0.036 0.583 25702 43 1 8 "Average Difference" N 93 2.877 -0.129 2.890 25702 44 1 8 "Average Difference" HA 101 0.353 0.117 0.334 25702 45 1 8 "Average Difference" C 92 1.073 0.051 1.078 25702 46 1 8 "Average Difference" CA 99 1.207 -0.226 1.191 25702 47 1 8 "Average Difference" CB 95 1.226 -0.157 1.223 25702 48 1 8 "Average Difference" HN 93 0.564 0.031 0.566 25702 49 1 9 "Average Difference" N 93 2.910 -0.022 2.926 25702 50 1 9 "Average Difference" HA 101 0.324 0.059 0.320 25702 51 1 9 "Average Difference" C 92 1.024 0.115 1.023 25702 52 1 9 "Average Difference" CA 99 1.152 -0.123 1.152 25702 53 1 9 "Average Difference" CB 95 1.259 -0.267 1.237 25702 54 1 9 "Average Difference" HN 93 0.595 0.018 0.598 25702 55 1 10 "Average Difference" N 93 2.834 0.067 2.848 25702 56 1 10 "Average Difference" HA 101 0.341 0.090 0.330 25702 57 1 10 "Average Difference" C 92 1.049 0.105 1.049 25702 58 1 10 "Average Difference" CA 99 1.186 -0.145 1.183 25702 59 1 10 "Average Difference" CB 95 1.264 -0.204 1.254 25702 60 1 10 "Average Difference" HN 93 0.587 0.052 0.588 25702 61 1 11 "Average Difference" N 93 2.973 0.057 2.988 25702 62 1 11 "Average Difference" HA 101 0.333 0.105 0.318 25702 63 1 11 "Average Difference" C 92 1.056 0.091 1.058 25702 64 1 11 "Average Difference" CA 99 1.103 -0.088 1.105 25702 65 1 11 "Average Difference" CB 95 1.155 -0.196 1.145 25702 66 1 11 "Average Difference" HN 93 0.580 0.053 0.581 25702 67 1 12 "Average Difference" N 93 2.850 0.129 2.863 25702 68 1 12 "Average Difference" HA 101 0.343 0.106 0.328 25702 69 1 12 "Average Difference" C 92 1.057 0.174 1.049 25702 70 1 12 "Average Difference" CA 99 1.083 -0.122 1.082 25702 71 1 12 "Average Difference" CB 95 1.175 -0.209 1.162 25702 72 1 12 "Average Difference" HN 93 0.588 0.044 0.590 25702 73 1 13 "Average Difference" N 93 3.022 0.082 3.037 25702 74 1 13 "Average Difference" HA 101 0.361 0.068 0.356 25702 75 1 13 "Average Difference" C 92 1.063 0.104 1.063 25702 76 1 13 "Average Difference" CA 99 1.205 -0.161 1.200 25702 77 1 13 "Average Difference" CB 95 1.228 -0.210 1.216 25702 78 1 13 "Average Difference" HN 93 0.601 0.022 0.604 25702 79 1 14 "Average Difference" N 93 2.956 0.065 2.971 25702 80 1 14 "Average Difference" HA 101 0.334 0.086 0.325 25702 81 1 14 "Average Difference" C 92 1.022 0.062 1.026 25702 82 1 14 "Average Difference" CA 99 1.164 -0.098 1.166 25702 83 1 14 "Average Difference" CB 95 1.155 -0.182 1.147 25702 84 1 14 "Average Difference" HN 93 0.592 0.066 0.592 25702 85 1 15 "Average Difference" N 93 2.941 0.269 2.944 25702 86 1 15 "Average Difference" HA 101 0.367 0.091 0.357 25702 87 1 15 "Average Difference" C 92 1.076 0.099 1.077 25702 88 1 15 "Average Difference" CA 99 1.104 -0.098 1.105 25702 89 1 15 "Average Difference" CB 95 1.218 -0.203 1.208 25702 90 1 15 "Average Difference" HN 93 0.579 0.046 0.581 25702 91 1 16 "Average Difference" N 93 2.753 0.305 2.751 25702 92 1 16 "Average Difference" HA 101 0.347 0.103 0.333 25702 93 1 16 "Average Difference" C 92 1.058 0.079 1.061 25702 94 1 16 "Average Difference" CA 99 1.230 -0.159 1.226 25702 95 1 16 "Average Difference" CB 95 1.238 -0.177 1.232 25702 96 1 16 "Average Difference" HN 93 0.599 0.074 0.598 25702 97 1 17 "Average Difference" N 93 3.019 0.019 3.035 25702 98 1 17 "Average Difference" HA 101 0.335 0.093 0.324 25702 99 1 17 "Average Difference" C 92 1.018 0.101 1.019 25702 100 1 17 "Average Difference" CA 99 1.190 -0.138 1.188 25702 101 1 17 "Average Difference" CB 95 1.258 -0.172 1.252 25702 102 1 17 "Average Difference" HN 93 0.609 0.042 0.611 25702 103 1 18 "Average Difference" N 93 3.044 -0.060 3.060 25702 104 1 18 "Average Difference" HA 101 0.345 0.093 0.334 25702 105 1 18 "Average Difference" C 92 1.054 0.124 1.053 25702 106 1 18 "Average Difference" CA 99 1.096 -0.129 1.094 25702 107 1 18 "Average Difference" CB 95 1.267 -0.252 1.248 25702 108 1 18 "Average Difference" HN 93 0.597 0.055 0.598 25702 109 1 19 "Average Difference" N 93 2.857 0.173 2.868 25702 110 1 19 "Average Difference" HA 101 0.343 0.089 0.332 25702 111 1 19 "Average Difference" C 92 1.086 0.098 1.088 25702 112 1 19 "Average Difference" CA 99 1.117 -0.128 1.115 25702 113 1 19 "Average Difference" CB 95 1.250 -0.249 1.232 25702 114 1 19 "Average Difference" HN 93 0.585 0.049 0.586 25702 115 1 20 "Average Difference" N 93 2.969 0.031 2.985 25702 116 1 20 "Average Difference" HA 101 0.337 0.082 0.329 25702 117 1 20 "Average Difference" C 92 1.090 0.147 1.086 25702 118 1 20 "Average Difference" CA 99 1.116 -0.115 1.116 25702 119 1 20 "Average Difference" CB 95 1.260 -0.269 1.238 25702 120 1 20 "Average Difference" HN 93 0.595 0.055 0.596 25702 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 25702 _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 VAL N N 2 125.020 125.020 123.068 1.952 25702 2 1 . 1 1 2 2 VAL HA H 2 4.078 4.078 4.229 -0.152 25702 3 1 . 1 1 2 2 VAL C C 2 175.261 175.261 175.795 -0.534 25702 4 1 . 1 1 2 2 VAL CA C 2 61.049 61.049 61.265 -0.216 25702 5 1 . 1 1 2 2 VAL CB C 2 32.667 32.667 33.372 -0.705 25702 6 1 . 1 1 2 2 VAL H H 2 8.590 8.590 8.515 0.075 25702 7 1 . 1 1 3 3 THR N N 3 125.759 125.759 123.596 2.163 25702 8 1 . 1 1 3 3 THR HA H 3 4.138 4.138 4.355 -0.217 25702 9 1 . 1 1 3 3 THR C C 3 173.129 173.129 173.299 -0.170 25702 10 1 . 1 1 3 3 THR CA C 3 62.804 62.804 62.797 0.007 25702 11 1 . 1 1 3 3 THR CB C 3 69.547 69.547 69.744 -0.197 25702 12 1 . 1 1 3 3 THR H H 3 7.778 7.778 8.452 -0.674 25702 13 1 . 1 1 4 4 GLN N N 4 127.746 127.746 124.137 3.609 25702 14 1 . 1 1 4 4 GLN HA H 4 4.739 4.739 4.802 -0.063 25702 15 1 . 1 1 4 4 GLN C C 4 176.754 176.754 175.652 1.102 25702 16 1 . 1 1 4 4 GLN CA C 4 54.435 54.435 55.319 -0.884 25702 17 1 . 1 1 4 4 GLN CB C 4 29.530 29.530 29.825 -0.295 25702 18 1 . 1 1 4 4 GLN H H 4 8.975 8.975 8.502 0.473 25702 19 1 . 1 1 5 5 PHE N N 5 126.242 126.242 126.170 0.072 25702 20 1 . 1 1 5 5 PHE HA H 5 4.817 4.817 4.736 0.081 25702 21 1 . 1 1 5 5 PHE C C 5 176.102 176.102 176.042 0.060 25702 22 1 . 1 1 5 5 PHE CA C 5 58.528 58.528 56.479 2.049 25702 23 1 . 1 1 5 5 PHE CB C 5 40.520 40.520 40.614 -0.094 25702 24 1 . 1 1 5 5 PHE H H 5 8.422 8.422 8.683 -0.261 25702 25 1 . 1 1 6 6 LYS N N 6 119.482 119.482 117.755 1.727 25702 26 1 . 1 1 6 6 LYS HA H 6 4.621 4.621 4.553 0.068 25702 27 1 . 1 1 6 6 LYS C C 6 176.994 176.994 175.830 1.164 25702 28 1 . 1 1 6 6 LYS CA C 6 56.015 56.015 56.299 -0.283 25702 29 1 . 1 1 6 6 LYS CB C 6 34.132 34.132 34.613 -0.481 25702 30 1 . 1 1 6 6 LYS H H 6 9.822 9.822 8.964 0.858 25702 31 1 . 1 1 7 7 THR N N 7 107.464 107.464 109.462 -1.998 25702 32 1 . 1 1 7 7 THR HA H 7 4.597 4.597 4.610 -0.013 25702 33 1 . 1 1 7 7 THR C C 7 173.921 173.921 174.211 -0.290 25702 34 1 . 1 1 7 7 THR CA C 7 59.155 59.155 59.852 -0.697 25702 35 1 . 1 1 7 7 THR CB C 7 72.660 72.660 71.925 0.735 25702 36 1 . 1 1 7 7 THR H H 7 7.484 7.484 7.570 -0.086 25702 37 1 . 1 1 8 8 ALA N N 8 123.987 123.987 122.918 1.069 25702 38 1 . 1 1 8 8 ALA HA H 8 3.709 3.709 4.072 -0.363 25702 39 1 . 1 1 8 8 ALA C C 8 179.409 179.409 179.152 0.257 25702 40 1 . 1 1 8 8 ALA CA C 8 55.002 55.002 54.831 0.171 25702 41 1 . 1 1 8 8 ALA CB C 8 18.090 18.090 18.174 -0.084 25702 42 1 . 1 1 8 8 ALA H H 8 9.031 9.031 8.805 0.226 25702 43 1 . 1 1 9 9 SER N N 9 112.387 112.387 114.509 -2.122 25702 44 1 . 1 1 9 9 SER HA H 9 4.127 4.127 4.032 0.095 25702 45 1 . 1 1 9 9 SER C C 9 177.070 177.070 176.794 0.276 25702 46 1 . 1 1 9 9 SER CA C 9 61.109 61.109 61.790 -0.680 25702 47 1 . 1 1 9 9 SER CB C 9 62.226 62.226 62.607 -0.381 25702 48 1 . 1 1 9 9 SER H H 9 8.161 8.161 8.187 -0.026 25702 49 1 . 1 1 10 10 GLU N N 10 121.941 121.941 121.758 0.183 25702 50 1 . 1 1 10 10 GLU HA H 10 3.851 3.851 3.816 0.035 25702 51 1 . 1 1 10 10 GLU C C 10 178.776 178.776 178.093 0.683 25702 52 1 . 1 1 10 10 GLU CA C 10 58.683 58.683 59.039 -0.356 25702 53 1 . 1 1 10 10 GLU CB C 10 31.004 31.004 29.059 1.945 25702 54 1 . 1 1 10 10 GLU H H 10 7.522 7.522 7.490 0.032 25702 55 1 . 1 1 11 11 PHE N N 11 120.541 120.541 119.551 0.990 25702 56 1 . 1 1 11 11 PHE HA H 11 2.846 2.846 2.990 -0.144 25702 57 1 . 1 1 11 11 PHE C C 11 174.944 174.944 176.942 -1.998 25702 58 1 . 1 1 11 11 PHE CA C 11 60.707 60.707 60.771 -0.064 25702 59 1 . 1 1 11 11 PHE CB C 11 37.738 37.738 38.841 -1.103 25702 60 1 . 1 1 11 11 PHE H H 11 6.624 6.624 7.149 -0.525 25702 61 1 . 1 1 12 12 ASP N N 12 117.847 117.847 118.528 -0.681 25702 62 1 . 1 1 12 12 ASP HA H 12 3.831 3.831 4.159 -0.328 25702 63 1 . 1 1 12 12 ASP C C 12 178.767 178.767 178.678 0.089 25702 64 1 . 1 1 12 12 ASP CA C 12 57.218 57.218 57.533 -0.315 25702 65 1 . 1 1 12 12 ASP CB C 12 40.299 40.299 40.510 -0.211 25702 66 1 . 1 1 12 12 ASP H H 12 7.637 7.637 8.376 -0.739 25702 67 1 . 1 1 13 13 SER N N 13 111.904 111.904 115.623 -3.719 25702 68 1 . 1 1 13 13 SER HA H 13 4.034 4.034 4.120 -0.086 25702 69 1 . 1 1 13 13 SER C C 13 176.341 176.341 176.151 0.190 25702 70 1 . 1 1 13 13 SER CA C 13 60.857 60.857 61.173 -0.316 25702 71 1 . 1 1 13 13 SER CB C 13 63.144 63.144 63.046 0.098 25702 72 1 . 1 1 13 13 SER H H 13 7.539 7.539 8.090 -0.551 25702 73 1 . 1 1 14 14 ALA N N 14 123.793 123.793 122.575 1.218 25702 74 1 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.994 0.033 25702 75 1 . 1 1 14 14 ALA C C 14 180.358 180.358 179.580 0.778 25702 76 1 . 1 1 14 14 ALA CA C 14 54.840 54.840 54.264 0.576 25702 77 1 . 1 1 14 14 ALA CB C 14 18.826 18.826 18.451 0.375 25702 78 1 . 1 1 14 14 ALA H H 14 7.647 7.647 7.447 0.200 25702 79 1 . 1 1 15 15 ILE N N 15 106.782 106.782 119.005 -12.223 25702 80 1 . 1 1 15 15 ILE HA H 15 3.720 3.720 3.669 0.051 25702 81 1 . 1 1 15 15 ILE C C 15 176.012 176.012 177.796 -1.784 25702 82 1 . 1 1 15 15 ILE CA C 15 63.495 63.495 61.883 1.612 25702 83 1 . 1 1 15 15 ILE CB C 15 37.795 37.795 36.220 1.575 25702 84 1 . 1 1 15 15 ILE H H 15 7.146 7.146 7.721 -0.575 25702 85 1 . 1 1 16 16 ALA N N 16 122.248 122.248 119.272 2.976 25702 86 1 . 1 1 16 16 ALA HA H 16 4.031 4.031 4.249 -0.218 25702 87 1 . 1 1 16 16 ALA C C 16 177.072 177.072 176.975 0.097 25702 88 1 . 1 1 16 16 ALA CA C 16 51.750 51.750 52.023 -0.273 25702 89 1 . 1 1 16 16 ALA CB C 16 18.370 18.370 18.289 0.081 25702 90 1 . 1 1 16 16 ALA H H 16 6.627 6.627 7.484 -0.857 25702 91 1 . 1 1 17 17 GLN N N 17 115.254 115.254 118.568 -3.314 25702 92 1 . 1 1 17 17 GLN HA H 17 4.219 4.219 4.293 -0.074 25702 93 1 . 1 1 17 17 GLN CA C 17 55.898 55.898 55.130 0.768 25702 94 1 . 1 1 17 17 GLN CB C 17 33.964 33.964 29.832 4.132 25702 95 1 . 1 1 17 17 GLN H H 17 7.136 7.136 7.351 -0.215 25702 96 1 . 1 1 18 18 ASP N N 18 122.840 122.840 122.195 0.645 25702 97 1 . 1 1 18 18 ASP HA H 18 4.532 4.532 4.573 -0.041 25702 98 1 . 1 1 18 18 ASP C C 18 175.348 175.348 175.295 0.053 25702 99 1 . 1 1 18 18 ASP CA C 18 53.510 53.510 54.061 -0.551 25702 100 1 . 1 1 18 18 ASP CB C 18 39.050 39.050 39.349 -0.299 25702 101 1 . 1 1 18 18 ASP H H 18 8.644 8.644 8.622 0.022 25702 102 1 . 1 1 19 19 LYS N N 19 118.503 118.503 115.382 3.121 25702 103 1 . 1 1 19 19 LYS HA H 19 4.383 4.383 4.500 -0.117 25702 104 1 . 1 1 19 19 LYS C C 19 173.289 173.289 174.714 -1.425 25702 105 1 . 1 1 19 19 LYS CA C 19 54.721 54.721 54.100 0.621 25702 106 1 . 1 1 19 19 LYS CB C 19 34.216 34.216 34.627 -0.411 25702 107 1 . 1 1 19 19 LYS H H 19 7.939 7.939 7.581 0.358 25702 108 1 . 1 1 20 20 LEU N N 20 120.813 120.813 123.755 -2.942 25702 109 1 . 1 1 20 20 LEU HA H 20 4.709 4.709 4.822 -0.113 25702 110 1 . 1 1 20 20 LEU C C 20 174.429 174.429 175.715 -1.286 25702 111 1 . 1 1 20 20 LEU CA C 20 55.787 55.787 54.862 0.925 25702 112 1 . 1 1 20 20 LEU CB C 20 41.561 41.561 41.652 -0.091 25702 113 1 . 1 1 20 20 LEU H H 20 8.625 8.625 8.777 -0.152 25702 114 1 . 1 1 21 21 VAL N N 21 128.813 128.813 127.871 0.942 25702 115 1 . 1 1 21 21 VAL HA H 21 4.265 4.265 4.412 -0.147 25702 116 1 . 1 1 21 21 VAL C C 21 174.618 174.618 174.845 -0.227 25702 117 1 . 1 1 21 21 VAL CA C 21 61.583 61.583 61.243 0.340 25702 118 1 . 1 1 21 21 VAL CB C 21 34.577 34.577 32.506 2.071 25702 119 1 . 1 1 21 21 VAL H H 21 9.251 9.251 9.153 0.098 25702 120 1 . 1 1 22 22 VAL N N 22 130.243 130.243 128.951 1.292 25702 121 1 . 1 1 22 22 VAL HA H 22 4.263 4.263 4.428 -0.165 25702 122 1 . 1 1 22 22 VAL C C 22 174.802 174.802 174.626 0.176 25702 123 1 . 1 1 22 22 VAL CA C 22 61.642 61.642 61.378 0.264 25702 124 1 . 1 1 22 22 VAL CB C 22 32.824 32.824 32.072 0.752 25702 125 1 . 1 1 22 22 VAL H H 22 8.969 8.969 9.070 -0.101 25702 126 1 . 1 1 23 23 VAL N N 23 125.526 125.526 128.650 -3.124 25702 127 1 . 1 1 23 23 VAL HA H 23 4.652 4.652 4.914 -0.262 25702 128 1 . 1 1 23 23 VAL C C 23 174.086 174.086 174.886 -0.800 25702 129 1 . 1 1 23 23 VAL CA C 23 61.783 61.783 60.592 1.191 25702 130 1 . 1 1 23 23 VAL CB C 23 34.424 34.424 33.387 1.037 25702 131 1 . 1 1 23 23 VAL H H 23 9.555 9.555 8.961 0.594 25702 132 1 . 1 1 24 24 ALA N N 24 130.468 130.468 131.083 -0.614 25702 133 1 . 1 1 24 24 ALA HA H 24 5.003 5.003 4.905 0.098 25702 134 1 . 1 1 24 24 ALA C C 24 175.093 175.093 175.864 -0.771 25702 135 1 . 1 1 24 24 ALA CA C 24 51.109 51.109 50.797 0.312 25702 136 1 . 1 1 24 24 ALA CB C 24 19.543 19.543 19.690 -0.147 25702 137 1 . 1 1 24 24 ALA H H 24 9.004 9.004 9.409 -0.405 25702 138 1 . 1 1 25 25 PHE N N 25 124.289 124.289 126.655 -2.366 25702 139 1 . 1 1 25 25 PHE HA H 25 5.019 5.019 5.527 -0.508 25702 140 1 . 1 1 25 25 PHE C C 25 174.794 174.794 174.715 0.079 25702 141 1 . 1 1 25 25 PHE CA C 25 57.620 57.620 56.112 1.508 25702 142 1 . 1 1 25 25 PHE CB C 25 39.765 39.765 41.050 -1.285 25702 143 1 . 1 1 25 25 PHE H H 25 9.455 9.455 9.225 0.230 25702 144 1 . 1 1 26 26 TYR N N 26 120.967 120.967 121.185 -0.218 25702 145 1 . 1 1 26 26 TYR HA H 26 5.351 5.351 4.916 0.435 25702 146 1 . 1 1 26 26 TYR C C 26 171.352 171.352 172.677 -1.325 25702 147 1 . 1 1 26 26 TYR CA C 26 54.831 54.831 55.680 -0.849 25702 148 1 . 1 1 26 26 TYR CB C 26 42.934 42.934 40.527 2.407 25702 149 1 . 1 1 26 26 TYR H H 26 8.908 8.908 8.419 0.489 25702 150 1 . 1 1 27 27 ALA N N 27 119.133 119.133 121.167 -2.034 25702 151 1 . 1 1 27 27 ALA HA H 27 4.559 4.559 5.004 -0.445 25702 152 1 . 1 1 27 27 ALA C C 27 179.092 179.092 177.994 1.098 25702 153 1 . 1 1 27 27 ALA CA C 27 50.154 50.154 49.828 0.326 25702 154 1 . 1 1 27 27 ALA CB C 27 21.950 21.950 20.494 1.456 25702 155 1 . 1 1 27 27 ALA H H 27 6.962 6.962 8.379 -1.417 25702 156 1 . 1 1 28 28 THR N N 28 116.784 116.784 117.679 -0.895 25702 157 1 . 1 1 28 28 THR HA H 28 3.867 3.867 4.138 -0.271 25702 158 1 . 1 1 28 28 THR C C 28 174.957 174.957 175.280 -0.323 25702 159 1 . 1 1 28 28 THR CA C 28 64.820 64.820 64.678 0.142 25702 160 1 . 1 1 28 28 THR CB C 28 69.197 69.197 68.976 0.221 25702 161 1 . 1 1 28 28 THR H H 28 10.053 10.053 9.033 1.020 25702 162 1 . 1 1 29 29 TRP N N 29 114.763 114.763 118.307 -3.544 25702 163 1 . 1 1 29 29 TRP HA H 29 4.522 4.522 4.737 -0.215 25702 164 1 . 1 1 29 29 TRP C C 29 175.478 175.478 175.857 -0.379 25702 165 1 . 1 1 29 29 TRP CA C 29 53.505 53.505 55.533 -2.028 25702 166 1 . 1 1 29 29 TRP CB C 29 29.344 29.344 28.769 0.575 25702 167 1 . 1 1 29 29 TRP H H 29 6.495 6.495 7.425 -0.930 25702 168 1 . 1 1 30 30 CYS N N 30 122.729 122.729 120.977 1.752 25702 169 1 . 1 1 30 30 CYS HA H 30 4.491 4.491 4.484 0.007 25702 170 1 . 1 1 30 30 CYS CA C 30 58.502 58.502 58.787 -0.285 25702 171 1 . 1 1 30 30 CYS CB C 30 27.648 27.648 29.706 -2.058 25702 172 1 . 1 1 30 30 CYS H H 30 6.484 6.484 7.248 -0.764 25702 173 1 . 1 1 33 33 CYS HA H 33 3.960 3.960 4.103 -0.143 25702 174 1 . 1 1 33 33 CYS C C 33 176.605 176.605 175.730 0.875 25702 175 1 . 1 1 33 33 CYS CA C 33 63.563 63.563 61.163 2.400 25702 176 1 . 1 1 33 33 CYS CB C 33 28.227 28.227 27.113 1.115 25702 177 1 . 1 1 34 34 LYS N N 34 120.638 120.638 119.699 0.939 25702 178 1 . 1 1 34 34 LYS HA H 34 3.922 3.922 3.920 0.002 25702 179 1 . 1 1 34 34 LYS C C 34 178.623 178.623 177.435 1.188 25702 180 1 . 1 1 34 34 LYS CA C 34 59.122 59.122 58.158 0.964 25702 181 1 . 1 1 34 34 LYS CB C 34 32.187 32.187 31.463 0.724 25702 182 1 . 1 1 34 34 LYS H H 34 7.828 7.828 7.375 0.453 25702 183 1 . 1 1 35 35 MET N N 35 115.754 115.754 118.340 -2.586 25702 184 1 . 1 1 35 35 MET HA H 35 4.230 4.230 4.324 -0.094 25702 185 1 . 1 1 35 35 MET C C 35 177.927 177.927 177.336 0.591 25702 186 1 . 1 1 35 35 MET CA C 35 56.931 56.931 56.565 0.366 25702 187 1 . 1 1 35 35 MET CB C 35 32.038 32.038 33.201 -1.163 25702 188 1 . 1 1 35 35 MET H H 35 7.612 7.612 7.587 0.025 25702 189 1 . 1 1 36 36 ILE N N 36 114.905 114.905 119.426 -4.521 25702 190 1 . 1 1 36 36 ILE HA H 36 4.252 4.252 3.839 0.413 25702 191 1 . 1 1 36 36 ILE C C 36 176.681 176.681 177.259 -0.578 25702 192 1 . 1 1 36 36 ILE CA C 36 60.143 60.143 62.100 -1.957 25702 193 1 . 1 1 36 36 ILE CB C 36 38.885 38.885 37.120 1.765 25702 194 1 . 1 1 36 36 ILE H H 36 7.399 7.399 7.492 -0.093 25702 195 1 . 1 1 37 37 ALA N N 37 125.154 125.154 123.442 1.712 25702 196 1 . 1 1 37 37 ALA HA H 37 4.079 4.079 3.944 0.135 25702 197 1 . 1 1 37 37 ALA CA C 37 57.071 57.071 56.815 0.256 25702 198 1 . 1 1 37 37 ALA CB C 37 15.458 15.458 16.056 -0.598 25702 199 1 . 1 1 37 37 ALA H H 37 7.587 7.587 7.473 0.114 25702 200 1 . 1 1 38 38 PRO HA H 38 4.239 4.239 4.294 -0.055 25702 201 1 . 1 1 38 38 PRO C C 38 179.456 179.456 178.080 1.376 25702 202 1 . 1 1 38 38 PRO CA C 38 65.187 65.187 64.853 0.334 25702 203 1 . 1 1 38 38 PRO CB C 38 30.763 30.763 31.616 -0.853 25702 204 1 . 1 1 39 39 MET N N 39 117.231 117.231 118.536 -1.305 25702 205 1 . 1 1 39 39 MET HA H 39 3.854 3.854 4.074 -0.220 25702 206 1 . 1 1 39 39 MET C C 39 177.388 177.388 177.634 -0.246 25702 207 1 . 1 1 39 39 MET CA C 39 57.916 57.916 58.592 -0.676 25702 208 1 . 1 1 39 39 MET CB C 39 32.238 32.238 32.250 -0.012 25702 209 1 . 1 1 39 39 MET H H 39 7.051 7.051 7.667 -0.616 25702 210 1 . 1 1 40 40 ILE N N 40 117.419 117.419 119.109 -1.690 25702 211 1 . 1 1 40 40 ILE HA H 40 3.675 3.675 3.270 0.405 25702 212 1 . 1 1 40 40 ILE C C 40 177.699 177.699 177.213 0.486 25702 213 1 . 1 1 40 40 ILE CA C 40 63.669 63.669 64.491 -0.822 25702 214 1 . 1 1 40 40 ILE CB C 40 35.771 35.771 38.041 -2.270 25702 215 1 . 1 1 40 40 ILE H H 40 7.825 7.825 7.440 0.385 25702 216 1 . 1 1 41 41 GLU N N 41 119.014 119.014 119.520 -0.506 25702 217 1 . 1 1 41 41 GLU HA H 41 3.586 3.586 3.746 -0.160 25702 218 1 . 1 1 41 41 GLU C C 41 180.065 180.065 178.338 1.727 25702 219 1 . 1 1 41 41 GLU CA C 41 59.407 59.407 58.996 0.412 25702 220 1 . 1 1 41 41 GLU CB C 41 28.474 28.474 29.275 -0.801 25702 221 1 . 1 1 41 41 GLU H H 41 7.475 7.475 7.570 -0.095 25702 222 1 . 1 1 42 42 LYS N N 42 120.988 120.988 119.561 1.427 25702 223 1 . 1 1 42 42 LYS HA H 42 3.917 3.917 3.974 -0.057 25702 224 1 . 1 1 42 42 LYS C C 42 179.895 179.895 178.801 1.094 25702 225 1 . 1 1 42 42 LYS CA C 42 59.034 59.034 58.419 0.615 25702 226 1 . 1 1 42 42 LYS CB C 42 30.845 30.845 31.966 -1.121 25702 227 1 . 1 1 42 42 LYS H H 42 7.402 7.402 7.592 -0.190 25702 228 1 . 1 1 43 43 PHE N N 43 118.946 118.946 118.581 0.365 25702 229 1 . 1 1 43 43 PHE HA H 43 3.164 3.164 3.941 -0.777 25702 230 1 . 1 1 43 43 PHE C C 43 177.806 177.806 177.136 0.670 25702 231 1 . 1 1 43 43 PHE CA C 43 60.022 60.022 59.493 0.529 25702 232 1 . 1 1 43 43 PHE CB C 43 37.420 37.420 37.968 -0.548 25702 233 1 . 1 1 43 43 PHE H H 43 8.270 8.270 7.505 0.765 25702 234 1 . 1 1 44 44 SER N N 44 116.035 116.035 113.019 3.016 25702 235 1 . 1 1 44 44 SER HA H 44 2.873 2.873 4.322 -1.449 25702 236 1 . 1 1 44 44 SER C C 44 175.522 175.522 175.797 -0.275 25702 237 1 . 1 1 44 44 SER CA C 44 60.173 60.173 59.758 0.415 25702 238 1 . 1 1 44 44 SER CB C 44 61.911 61.911 63.023 -1.112 25702 239 1 . 1 1 44 44 SER H H 44 7.763 7.763 7.298 0.465 25702 240 1 . 1 1 45 45 GLU N N 45 120.563 120.563 121.429 -0.866 25702 241 1 . 1 1 45 45 GLU HA H 45 4.059 4.059 3.963 0.096 25702 242 1 . 1 1 45 45 GLU C C 45 177.798 177.798 177.727 0.071 25702 243 1 . 1 1 45 45 GLU CA C 45 57.303 57.303 58.700 -1.397 25702 244 1 . 1 1 45 45 GLU CB C 45 29.637 29.637 29.590 0.047 25702 245 1 . 1 1 45 45 GLU H H 45 6.888 6.888 7.515 -0.627 25702 246 1 . 1 1 46 46 GLN N N 46 118.400 118.400 116.806 1.594 25702 247 1 . 1 1 46 46 GLN HA H 46 3.927 3.927 4.163 -0.236 25702 248 1 . 1 1 46 46 GLN C C 46 175.422 175.422 176.523 -1.101 25702 249 1 . 1 1 46 46 GLN CA C 46 57.033 57.033 57.272 -0.239 25702 250 1 . 1 1 46 46 GLN CB C 46 29.690 29.690 30.365 -0.675 25702 251 1 . 1 1 46 46 GLN H H 46 7.451 7.451 7.415 0.036 25702 252 1 . 1 1 47 47 TYR N N 47 115.979 115.979 114.848 1.131 25702 253 1 . 1 1 47 47 TYR HA H 47 4.983 4.983 5.109 -0.126 25702 254 1 . 1 1 47 47 TYR CA C 47 56.084 56.084 53.899 2.185 25702 255 1 . 1 1 47 47 TYR CB C 47 38.074 38.074 38.148 -0.074 25702 256 1 . 1 1 47 47 TYR H H 47 7.433 7.433 7.507 -0.074 25702 257 1 . 1 1 48 48 PRO HA H 48 4.711 4.711 4.609 0.102 25702 258 1 . 1 1 48 48 PRO C C 48 177.453 177.453 177.396 0.057 25702 259 1 . 1 1 48 48 PRO CA C 48 64.294 64.294 63.941 0.353 25702 260 1 . 1 1 48 48 PRO CB C 48 31.870 31.870 32.048 -0.178 25702 261 1 . 1 1 49 49 GLN N N 49 119.035 119.035 117.527 1.508 25702 262 1 . 1 1 49 49 GLN HA H 49 4.360 4.360 4.243 0.117 25702 263 1 . 1 1 49 49 GLN C C 49 174.990 174.990 175.519 -0.529 25702 264 1 . 1 1 49 49 GLN CA C 49 56.460 56.460 56.863 -0.403 25702 265 1 . 1 1 49 49 GLN CB C 49 27.779 27.779 28.129 -0.350 25702 266 1 . 1 1 49 49 GLN H H 49 9.617 9.617 8.448 1.169 25702 267 1 . 1 1 50 50 ALA N N 50 127.008 127.008 121.353 5.655 25702 268 1 . 1 1 50 50 ALA HA H 50 5.047 5.047 4.618 0.429 25702 269 1 . 1 1 50 50 ALA C C 50 175.173 175.173 176.276 -1.103 25702 270 1 . 1 1 50 50 ALA CA C 50 50.049 50.049 50.699 -0.650 25702 271 1 . 1 1 50 50 ALA CB C 50 22.166 22.166 21.360 0.806 25702 272 1 . 1 1 50 50 ALA H H 50 8.170 8.170 7.476 0.694 25702 273 1 . 1 1 51 51 ASP N N 51 120.039 120.039 120.826 -0.787 25702 274 1 . 1 1 51 51 ASP HA H 51 5.105 5.105 4.436 0.669 25702 275 1 . 1 1 51 51 ASP C C 51 174.707 174.707 174.851 -0.144 25702 276 1 . 1 1 51 51 ASP CA C 51 53.004 53.004 53.904 -0.900 25702 277 1 . 1 1 51 51 ASP CB C 51 44.273 44.273 43.075 1.197 25702 278 1 . 1 1 51 51 ASP H H 51 8.411 8.411 8.588 -0.177 25702 279 1 . 1 1 52 52 PHE N N 52 120.670 120.670 119.653 1.017 25702 280 1 . 1 1 52 52 PHE HA H 52 5.179 5.179 5.198 -0.019 25702 281 1 . 1 1 52 52 PHE C C 52 174.633 174.633 173.946 0.687 25702 282 1 . 1 1 52 52 PHE CA C 52 56.712 56.712 55.338 1.374 25702 283 1 . 1 1 52 52 PHE CB C 52 41.874 41.874 39.487 2.387 25702 284 1 . 1 1 52 52 PHE H H 52 8.943 8.943 7.195 1.748 25702 285 1 . 1 1 53 53 TYR N N 53 120.949 120.949 122.557 -1.608 25702 286 1 . 1 1 53 53 TYR HA H 53 5.477 5.477 5.462 0.015 25702 287 1 . 1 1 53 53 TYR C C 53 174.507 174.507 174.507 0.000 25702 288 1 . 1 1 53 53 TYR CA C 53 55.713 55.713 56.589 -0.876 25702 289 1 . 1 1 53 53 TYR CB C 53 45.842 45.842 42.766 3.076 25702 290 1 . 1 1 53 53 TYR H H 53 9.336 9.336 8.936 0.400 25702 291 1 . 1 1 54 54 LYS N N 54 115.771 115.771 119.568 -3.797 25702 292 1 . 1 1 54 54 LYS HA H 54 5.499 5.499 5.406 0.093 25702 293 1 . 1 1 54 54 LYS C C 54 173.200 173.200 173.796 -0.596 25702 294 1 . 1 1 54 54 LYS CA C 54 53.495 53.495 55.012 -1.517 25702 295 1 . 1 1 54 54 LYS CB C 54 35.956 35.956 37.482 -1.527 25702 296 1 . 1 1 54 54 LYS H H 54 8.451 8.451 9.049 -0.598 25702 297 1 . 1 1 55 55 LEU N N 55 123.037 123.037 120.444 2.593 25702 298 1 . 1 1 55 55 LEU HA H 55 4.471 4.471 4.773 -0.302 25702 299 1 . 1 1 55 55 LEU C C 55 172.053 172.053 173.083 -1.030 25702 300 1 . 1 1 55 55 LEU CA C 55 55.386 55.386 54.140 1.246 25702 301 1 . 1 1 55 55 LEU CB C 55 45.813 45.813 46.141 -0.328 25702 302 1 . 1 1 55 55 LEU H H 55 8.783 8.783 8.682 0.101 25702 303 1 . 1 1 56 56 ASP N N 56 126.250 126.250 123.045 3.205 25702 304 1 . 1 1 56 56 ASP HA H 56 4.157 4.157 5.021 -0.864 25702 305 1 . 1 1 56 56 ASP C C 56 178.219 178.219 177.224 0.995 25702 306 1 . 1 1 56 56 ASP CA C 56 52.242 52.242 52.577 -0.335 25702 307 1 . 1 1 56 56 ASP CB C 56 40.748 40.748 41.737 -0.989 25702 308 1 . 1 1 56 56 ASP H H 56 8.580 8.580 8.281 0.299 25702 309 1 . 1 1 57 57 VAL N N 57 123.015 123.015 123.099 -0.084 25702 310 1 . 1 1 57 57 VAL HA H 57 3.416 3.416 4.015 -0.599 25702 311 1 . 1 1 57 57 VAL C C 57 175.672 175.672 176.339 -0.667 25702 312 1 . 1 1 57 57 VAL CA C 57 64.696 64.696 64.509 0.187 25702 313 1 . 1 1 57 57 VAL CB C 57 31.003 31.003 31.964 -0.961 25702 314 1 . 1 1 57 57 VAL H H 57 8.767 8.767 8.626 0.141 25702 315 1 . 1 1 58 58 ASP N N 58 118.536 118.536 118.499 0.037 25702 316 1 . 1 1 58 58 ASP HA H 58 4.695 4.695 4.605 0.090 25702 317 1 . 1 1 58 58 ASP C C 58 177.541 177.541 177.757 -0.216 25702 318 1 . 1 1 58 58 ASP CA C 58 56.159 56.159 57.010 -0.851 25702 319 1 . 1 1 58 58 ASP CB C 58 40.470 40.470 41.229 -0.759 25702 320 1 . 1 1 58 58 ASP H H 58 8.653 8.653 8.225 0.428 25702 321 1 . 1 1 59 59 GLU N N 59 119.610 119.610 118.301 1.309 25702 322 1 . 1 1 59 59 GLU HA H 59 4.353 4.353 4.339 0.014 25702 323 1 . 1 1 59 59 GLU C C 59 177.106 177.106 177.346 -0.240 25702 324 1 . 1 1 59 59 GLU CA C 59 57.369 57.369 57.707 -0.338 25702 325 1 . 1 1 59 59 GLU CB C 59 31.700 31.700 30.924 0.776 25702 326 1 . 1 1 59 59 GLU H H 59 7.596 7.596 7.907 -0.311 25702 327 1 . 1 1 60 60 LEU N N 60 121.513 121.513 121.088 0.425 25702 328 1 . 1 1 60 60 LEU HA H 60 4.912 4.912 4.742 0.170 25702 329 1 . 1 1 60 60 LEU C C 60 177.050 177.050 176.813 0.237 25702 330 1 . 1 1 60 60 LEU CA C 60 52.364 52.364 53.126 -0.762 25702 331 1 . 1 1 60 60 LEU CB C 60 41.622 41.622 40.349 1.273 25702 332 1 . 1 1 60 60 LEU H H 60 7.689 7.689 8.264 -0.575 25702 333 1 . 1 1 61 61 GLY N N 61 111.170 111.170 110.072 1.098 25702 334 1 . 1 1 61 61 GLY C C 61 176.313 176.313 175.490 0.823 25702 335 1 . 1 1 61 61 GLY CA C 61 48.223 48.223 47.053 1.170 25702 336 1 . 1 1 61 61 GLY H H 61 8.218 8.218 8.470 -0.252 25702 337 1 . 1 1 62 62 ASP N N 62 119.711 119.711 120.401 -0.690 25702 338 1 . 1 1 62 62 ASP HA H 62 4.318 4.318 4.426 -0.108 25702 339 1 . 1 1 62 62 ASP C C 62 178.935 178.935 177.957 0.978 25702 340 1 . 1 1 62 62 ASP CA C 62 56.679 56.679 56.748 -0.069 25702 341 1 . 1 1 62 62 ASP CB C 62 39.263 39.263 40.293 -1.030 25702 342 1 . 1 1 62 62 ASP H H 62 9.141 9.141 8.563 0.578 25702 343 1 . 1 1 63 63 VAL N N 63 120.511 120.511 120.209 0.302 25702 344 1 . 1 1 63 63 VAL HA H 63 3.323 3.323 3.645 -0.322 25702 345 1 . 1 1 63 63 VAL C C 63 179.266 179.266 177.551 1.715 25702 346 1 . 1 1 63 63 VAL CA C 63 65.394 65.394 65.874 -0.480 25702 347 1 . 1 1 63 63 VAL CB C 63 31.292 31.292 31.605 -0.313 25702 348 1 . 1 1 63 63 VAL H H 63 7.275 7.275 7.598 -0.323 25702 349 1 . 1 1 64 64 ALA N N 64 122.711 122.711 120.783 1.928 25702 350 1 . 1 1 64 64 ALA HA H 64 3.790 3.790 3.842 -0.052 25702 351 1 . 1 1 64 64 ALA C C 64 178.540 178.540 179.699 -1.159 25702 352 1 . 1 1 64 64 ALA CA C 64 55.885 55.885 55.171 0.714 25702 353 1 . 1 1 64 64 ALA CB C 64 17.817 17.817 18.372 -0.555 25702 354 1 . 1 1 64 64 ALA H H 64 7.264 7.264 7.756 -0.492 25702 355 1 . 1 1 65 65 GLN N N 65 117.988 117.988 116.312 1.676 25702 356 1 . 1 1 65 65 GLN HA H 65 4.057 4.057 4.059 -0.002 25702 357 1 . 1 1 65 65 GLN C C 65 180.544 180.544 178.159 2.385 25702 358 1 . 1 1 65 65 GLN CA C 65 59.009 59.009 57.740 1.269 25702 359 1 . 1 1 65 65 GLN CB C 65 28.301 28.301 28.670 -0.369 25702 360 1 . 1 1 65 65 GLN H H 65 8.344 8.344 7.943 0.401 25702 361 1 . 1 1 66 66 LYS N N 66 120.050 120.050 119.163 0.887 25702 362 1 . 1 1 66 66 LYS HA H 66 4.054 4.054 4.026 0.028 25702 363 1 . 1 1 66 66 LYS C C 66 176.954 176.954 177.193 -0.239 25702 364 1 . 1 1 66 66 LYS CA C 66 58.817 58.817 58.223 0.594 25702 365 1 . 1 1 66 66 LYS CB C 66 32.179 32.179 32.068 0.111 25702 366 1 . 1 1 66 66 LYS H H 66 7.971 7.971 7.712 0.259 25702 367 1 . 1 1 67 67 ASN N N 67 114.553 114.553 114.730 -0.177 25702 368 1 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.499 0.277 25702 369 1 . 1 1 67 67 ASN C C 67 171.614 171.614 174.612 -2.998 25702 370 1 . 1 1 67 67 ASN CA C 67 54.080 54.080 52.776 1.304 25702 371 1 . 1 1 67 67 ASN CB C 67 40.109 40.109 38.706 1.403 25702 372 1 . 1 1 67 67 ASN H H 67 7.064 7.064 7.392 -0.328 25702 373 1 . 1 1 68 68 GLU N N 68 114.491 114.491 115.507 -1.016 25702 374 1 . 1 1 68 68 GLU HA H 68 3.741 3.741 3.907 -0.166 25702 375 1 . 1 1 68 68 GLU C C 68 175.660 175.660 174.371 1.289 25702 376 1 . 1 1 68 68 GLU CA C 68 57.006 57.006 57.221 -0.215 25702 377 1 . 1 1 68 68 GLU CB C 68 26.972 26.972 28.270 -1.298 25702 378 1 . 1 1 68 68 GLU H H 68 7.755 7.755 7.749 0.006 25702 379 1 . 1 1 69 69 VAL N N 69 120.375 120.375 118.757 1.618 25702 380 1 . 1 1 69 69 VAL HA H 69 3.904 3.904 4.283 -0.379 25702 381 1 . 1 1 69 69 VAL C C 69 175.415 175.415 174.451 0.964 25702 382 1 . 1 1 69 69 VAL CA C 69 62.870 62.870 61.639 1.231 25702 383 1 . 1 1 69 69 VAL CB C 69 30.914 30.914 32.014 -1.100 25702 384 1 . 1 1 69 69 VAL H H 69 7.787 7.787 7.909 -0.122 25702 385 1 . 1 1 70 70 SER N N 70 121.558 121.558 123.667 -2.109 25702 386 1 . 1 1 70 70 SER HA H 70 4.488 4.488 4.590 -0.102 25702 387 1 . 1 1 70 70 SER C C 70 172.616 172.616 174.576 -1.960 25702 388 1 . 1 1 70 70 SER CA C 70 57.728 57.728 58.399 -0.671 25702 389 1 . 1 1 70 70 SER CB C 70 64.713 64.713 64.072 0.641 25702 390 1 . 1 1 70 70 SER H H 70 8.565 8.565 8.624 -0.059 25702 391 1 . 1 1 71 71 ALA N N 71 125.848 125.848 124.706 1.142 25702 392 1 . 1 1 71 71 ALA HA H 71 4.579 4.579 4.635 -0.056 25702 393 1 . 1 1 71 71 ALA C C 71 175.531 175.531 175.913 -0.382 25702 394 1 . 1 1 71 71 ALA CA C 71 51.492 51.492 51.626 -0.134 25702 395 1 . 1 1 71 71 ALA CB C 71 21.362 21.362 20.412 0.950 25702 396 1 . 1 1 71 71 ALA H H 71 7.861 7.861 7.986 -0.125 25702 397 1 . 1 1 72 72 MET N N 72 118.991 118.991 118.738 0.253 25702 398 1 . 1 1 72 72 MET HA H 72 4.879 4.879 5.008 -0.129 25702 399 1 . 1 1 72 72 MET CA C 72 51.907 51.907 52.221 -0.315 25702 400 1 . 1 1 72 72 MET CB C 72 35.595 35.595 34.582 1.013 25702 401 1 . 1 1 72 72 MET H H 72 8.553 8.553 8.333 0.220 25702 402 1 . 1 1 73 73 PRO HA H 73 5.006 5.006 4.924 0.082 25702 403 1 . 1 1 73 73 PRO C C 73 176.015 176.015 175.943 0.072 25702 404 1 . 1 1 73 73 PRO CA C 73 63.029 63.029 62.322 0.707 25702 405 1 . 1 1 73 73 PRO CB C 73 34.365 34.365 33.422 0.943 25702 406 1 . 1 1 74 74 THR N N 74 114.577 114.577 116.602 -2.025 25702 407 1 . 1 1 74 74 THR HA H 74 5.013 5.013 5.043 -0.030 25702 408 1 . 1 1 74 74 THR C C 74 171.538 171.538 173.233 -1.695 25702 409 1 . 1 1 74 74 THR CA C 74 63.556 63.556 62.061 1.495 25702 410 1 . 1 1 74 74 THR CB C 74 73.238 73.238 72.366 0.872 25702 411 1 . 1 1 74 74 THR H H 74 7.772 7.772 9.130 -1.358 25702 412 1 . 1 1 75 75 LEU N N 75 131.086 131.086 126.545 4.541 25702 413 1 . 1 1 75 75 LEU HA H 75 5.486 5.486 5.405 0.081 25702 414 1 . 1 1 75 75 LEU C C 75 174.827 174.827 175.381 -0.554 25702 415 1 . 1 1 75 75 LEU CA C 75 53.322 53.322 54.239 -0.917 25702 416 1 . 1 1 75 75 LEU CB C 75 44.149 44.149 43.983 0.166 25702 417 1 . 1 1 75 75 LEU H H 75 9.517 9.517 9.382 0.135 25702 418 1 . 1 1 76 76 LEU N N 76 123.573 123.573 125.021 -1.448 25702 419 1 . 1 1 76 76 LEU HA H 76 4.903 4.903 4.877 0.026 25702 420 1 . 1 1 76 76 LEU C C 76 174.229 174.229 175.124 -0.895 25702 421 1 . 1 1 76 76 LEU CA C 76 53.487 53.487 53.898 -0.411 25702 422 1 . 1 1 76 76 LEU CB C 76 46.070 46.070 45.178 0.892 25702 423 1 . 1 1 76 76 LEU H H 76 9.214 9.214 9.153 0.061 25702 424 1 . 1 1 77 77 LEU N N 77 123.032 123.032 125.628 -2.596 25702 425 1 . 1 1 77 77 LEU HA H 77 5.248 5.248 5.512 -0.264 25702 426 1 . 1 1 77 77 LEU C C 77 174.961 174.961 175.846 -0.885 25702 427 1 . 1 1 77 77 LEU CA C 77 54.729 54.729 53.646 1.083 25702 428 1 . 1 1 77 77 LEU CB C 77 42.691 42.691 42.790 -0.099 25702 429 1 . 1 1 77 77 LEU H H 77 8.189 8.189 9.074 -0.885 25702 430 1 . 1 1 78 78 PHE N N 78 121.929 121.929 122.899 -0.970 25702 431 1 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.899 0.498 25702 432 1 . 1 1 78 78 PHE C C 78 174.427 174.427 174.270 0.157 25702 433 1 . 1 1 78 78 PHE CA C 78 56.381 56.381 56.929 -0.548 25702 434 1 . 1 1 78 78 PHE CB C 78 44.318 44.318 44.140 0.178 25702 435 1 . 1 1 78 78 PHE H H 78 9.748 9.748 9.165 0.583 25702 436 1 . 1 1 79 79 LYS N N 79 117.221 117.221 120.837 -3.616 25702 437 1 . 1 1 79 79 LYS HA H 79 4.813 4.813 5.161 -0.348 25702 438 1 . 1 1 79 79 LYS C C 79 177.709 177.709 176.324 1.385 25702 439 1 . 1 1 79 79 LYS CA C 79 57.422 57.422 55.143 2.279 25702 440 1 . 1 1 79 79 LYS CB C 79 36.270 36.270 35.237 1.032 25702 441 1 . 1 1 79 79 LYS H H 79 8.741 8.741 9.263 -0.522 25702 442 1 . 1 1 80 80 ASN N N 80 125.563 125.563 124.769 0.794 25702 443 1 . 1 1 80 80 ASN HA H 80 4.305 4.305 4.426 -0.121 25702 444 1 . 1 1 80 80 ASN C C 80 175.395 175.395 175.385 0.010 25702 445 1 . 1 1 80 80 ASN CA C 80 54.469 54.469 53.922 0.547 25702 446 1 . 1 1 80 80 ASN CB C 80 37.671 37.671 36.397 1.274 25702 447 1 . 1 1 80 80 ASN H H 80 8.890 8.890 9.032 -0.142 25702 448 1 . 1 1 81 81 GLY N N 81 102.976 102.976 103.882 -0.906 25702 449 1 . 1 1 81 81 GLY C C 81 173.223 173.223 173.921 -0.698 25702 450 1 . 1 1 81 81 GLY CA C 81 45.645 45.645 45.509 0.136 25702 451 1 . 1 1 81 81 GLY H H 81 8.640 8.640 8.748 -0.108 25702 452 1 . 1 1 82 82 LYS N N 82 119.280 119.280 119.598 -0.318 25702 453 1 . 1 1 82 82 LYS HA H 82 4.723 4.723 4.758 -0.035 25702 454 1 . 1 1 82 82 LYS C C 82 174.897 174.897 175.113 -0.216 25702 455 1 . 1 1 82 82 LYS CA C 82 54.355 54.355 54.166 0.189 25702 456 1 . 1 1 82 82 LYS CB C 82 35.327 35.327 35.447 -0.120 25702 457 1 . 1 1 82 82 LYS H H 82 7.583 7.583 7.723 -0.141 25702 458 1 . 1 1 83 83 GLU N N 83 125.460 125.460 120.028 5.432 25702 459 1 . 1 1 83 83 GLU HA H 83 3.859 3.859 3.621 0.238 25702 460 1 . 1 1 83 83 GLU C C 83 177.249 177.249 177.181 0.068 25702 461 1 . 1 1 83 83 GLU CA C 83 56.959 56.959 57.538 -0.579 25702 462 1 . 1 1 83 83 GLU CB C 83 30.512 30.512 30.223 0.289 25702 463 1 . 1 1 83 83 GLU H H 83 8.818 8.818 8.680 0.138 25702 464 1 . 1 1 84 84 VAL N N 84 121.989 121.989 113.851 8.138 25702 465 1 . 1 1 84 84 VAL HA H 84 4.422 4.422 4.381 0.041 25702 466 1 . 1 1 84 84 VAL C C 84 175.625 175.625 174.956 0.669 25702 467 1 . 1 1 84 84 VAL CA C 84 61.083 61.083 61.914 -0.831 25702 468 1 . 1 1 84 84 VAL CB C 84 33.091 33.091 34.380 -1.289 25702 469 1 . 1 1 84 84 VAL H H 84 9.281 9.281 8.158 1.123 25702 470 1 . 1 1 85 85 ALA N N 85 121.284 121.284 122.589 -1.305 25702 471 1 . 1 1 85 85 ALA HA H 85 4.399 4.399 4.556 -0.157 25702 472 1 . 1 1 85 85 ALA C C 85 173.805 173.805 174.526 -0.721 25702 473 1 . 1 1 85 85 ALA CA C 85 52.656 52.656 52.146 0.510 25702 474 1 . 1 1 85 85 ALA CB C 85 21.987 21.987 21.429 0.559 25702 475 1 . 1 1 85 85 ALA H H 85 7.564 7.564 7.521 0.043 25702 476 1 . 1 1 86 86 LYS N N 86 119.558 119.558 121.345 -1.787 25702 477 1 . 1 1 86 86 LYS HA H 86 4.946 4.946 5.334 -0.388 25702 478 1 . 1 1 86 86 LYS C C 86 174.999 174.999 174.722 0.277 25702 479 1 . 1 1 86 86 LYS CA C 86 55.339 55.339 55.211 0.128 25702 480 1 . 1 1 86 86 LYS CB C 86 35.605 35.605 35.446 0.159 25702 481 1 . 1 1 86 86 LYS H H 86 8.000 8.000 8.246 -0.246 25702 482 1 . 1 1 87 87 VAL N N 87 126.118 126.118 123.804 2.314 25702 483 1 . 1 1 87 87 VAL HA H 87 4.703 4.703 4.467 0.236 25702 484 1 . 1 1 87 87 VAL C C 87 174.516 174.516 175.090 -0.574 25702 485 1 . 1 1 87 87 VAL CA C 87 61.379 61.379 61.142 0.236 25702 486 1 . 1 1 87 87 VAL CB C 87 34.187 34.187 35.376 -1.189 25702 487 1 . 1 1 87 87 VAL H H 87 9.198 9.198 9.142 0.056 25702 488 1 . 1 1 88 88 VAL N N 88 128.549 128.549 122.397 6.152 25702 489 1 . 1 1 88 88 VAL HA H 88 4.454 4.454 4.618 -0.165 25702 490 1 . 1 1 88 88 VAL C C 88 176.142 176.142 175.355 0.787 25702 491 1 . 1 1 88 88 VAL CA C 88 61.982 61.982 60.964 1.018 25702 492 1 . 1 1 88 88 VAL CB C 88 32.641 32.641 30.663 1.978 25702 493 1 . 1 1 88 88 VAL H H 88 9.031 9.031 8.596 0.435 25702 494 1 . 1 1 89 89 GLY N N 89 114.516 114.516 109.031 5.485 25702 495 1 . 1 1 89 89 GLY C C 89 173.063 173.063 173.027 0.036 25702 496 1 . 1 1 89 89 GLY CA C 89 43.506 43.506 45.206 -1.700 25702 497 1 . 1 1 89 89 GLY H H 89 8.379 8.379 7.473 0.906 25702 498 1 . 1 1 90 90 ALA N N 90 122.292 122.292 124.336 -2.044 25702 499 1 . 1 1 90 90 ALA HA H 90 4.195 4.195 4.198 -0.003 25702 500 1 . 1 1 90 90 ALA C C 90 174.897 174.897 176.674 -1.777 25702 501 1 . 1 1 90 90 ALA CA C 90 50.439 50.439 52.661 -2.222 25702 502 1 . 1 1 90 90 ALA CB C 90 17.881 17.881 18.626 -0.745 25702 503 1 . 1 1 90 90 ALA H H 90 8.592 8.592 8.525 0.067 25702 504 1 . 1 1 91 91 ASN N N 91 120.220 120.220 124.601 -4.381 25702 505 1 . 1 1 91 91 ASN HA H 91 5.111 5.111 5.050 0.061 25702 506 1 . 1 1 91 91 ASN CA C 91 50.012 50.012 49.696 0.316 25702 507 1 . 1 1 91 91 ASN CB C 91 38.978 38.978 39.782 -0.804 25702 508 1 . 1 1 91 91 ASN H H 91 7.386 7.386 8.476 -1.090 25702 509 1 . 1 1 92 92 PRO HA H 92 4.028 4.028 4.162 -0.134 25702 510 1 . 1 1 92 92 PRO CA C 92 62.097 62.097 66.583 -4.486 25702 511 1 . 1 1 93 93 ALA HA H 93 4.095 4.095 4.247 -0.152 25702 512 1 . 1 1 93 93 ALA C C 93 180.205 180.205 179.560 0.645 25702 513 1 . 1 1 93 93 ALA CA C 93 55.166 55.166 54.650 0.516 25702 514 1 . 1 1 93 93 ALA CB C 93 17.981 17.981 18.033 -0.051 25702 515 1 . 1 1 94 94 ALA N N 94 120.499 120.499 121.863 -1.364 25702 516 1 . 1 1 94 94 ALA HA H 94 4.061 4.061 4.175 -0.114 25702 517 1 . 1 1 94 94 ALA C C 94 180.917 180.917 179.923 0.994 25702 518 1 . 1 1 94 94 ALA CA C 94 54.260 54.260 54.786 -0.526 25702 519 1 . 1 1 94 94 ALA CB C 94 18.798 18.798 18.428 0.370 25702 520 1 . 1 1 94 94 ALA H H 94 7.223 7.223 8.326 -1.103 25702 521 1 . 1 1 95 95 ILE N N 95 119.397 119.397 118.052 1.345 25702 522 1 . 1 1 95 95 ILE HA H 95 3.352 3.352 3.782 -0.430 25702 523 1 . 1 1 95 95 ILE C C 95 176.217 176.217 177.538 -1.321 25702 524 1 . 1 1 95 95 ILE CA C 95 65.953 65.953 62.787 3.166 25702 525 1 . 1 1 95 95 ILE CB C 95 38.380 38.380 36.907 1.473 25702 526 1 . 1 1 95 95 ILE H H 95 7.772 7.772 8.699 -0.927 25702 527 1 . 1 1 96 96 LYS N N 96 118.919 118.919 120.909 -1.990 25702 528 1 . 1 1 96 96 LYS HA H 96 3.017 3.017 4.062 -1.045 25702 529 1 . 1 1 96 96 LYS C C 96 177.824 177.824 179.467 -1.643 25702 530 1 . 1 1 96 96 LYS CA C 96 60.626 60.626 59.387 1.239 25702 531 1 . 1 1 96 96 LYS CB C 96 32.165 32.165 32.210 -0.045 25702 532 1 . 1 1 96 96 LYS H H 96 8.112 8.112 7.687 0.425 25702 533 1 . 1 1 97 97 GLN N N 97 115.480 115.480 118.507 -3.027 25702 534 1 . 1 1 97 97 GLN HA H 97 3.852 3.852 4.108 -0.256 25702 535 1 . 1 1 97 97 GLN C C 97 178.014 178.014 177.778 0.236 25702 536 1 . 1 1 97 97 GLN CA C 97 58.583 58.583 58.210 0.373 25702 537 1 . 1 1 97 97 GLN CB C 97 28.344 28.344 28.439 -0.095 25702 538 1 . 1 1 97 97 GLN H H 97 7.686 7.686 8.210 -0.524 25702 539 1 . 1 1 98 98 ALA N N 98 120.911 120.911 123.493 -2.582 25702 540 1 . 1 1 98 98 ALA HA H 98 3.930 3.930 4.012 -0.082 25702 541 1 . 1 1 98 98 ALA C C 98 179.544 179.544 179.696 -0.152 25702 542 1 . 1 1 98 98 ALA CA C 98 54.749 54.749 55.069 -0.320 25702 543 1 . 1 1 98 98 ALA CB C 98 17.915 17.915 18.041 -0.126 25702 544 1 . 1 1 98 98 ALA H H 98 7.446 7.446 7.462 -0.016 25702 545 1 . 1 1 99 99 ILE N N 99 117.780 117.780 118.219 -0.439 25702 546 1 . 1 1 99 99 ILE HA H 99 3.047 3.047 3.662 -0.615 25702 547 1 . 1 1 99 99 ILE C C 99 177.087 177.087 178.117 -1.030 25702 548 1 . 1 1 99 99 ILE CA C 99 65.459 65.459 63.097 2.362 25702 549 1 . 1 1 99 99 ILE CB C 99 38.132 38.132 36.148 1.984 25702 550 1 . 1 1 99 99 ILE H H 99 7.735 7.735 8.321 -0.586 25702 551 1 . 1 1 100 100 ALA N N 100 119.516 119.516 120.928 -1.412 25702 552 1 . 1 1 100 100 ALA C C 100 180.431 180.431 178.486 1.945 25702 553 1 . 1 1 100 100 ALA CA C 100 55.245 55.245 54.130 1.115 25702 554 1 . 1 1 100 100 ALA CB C 100 18.293 18.293 18.134 0.159 25702 555 1 . 1 1 100 100 ALA H H 100 8.214 8.214 7.496 0.718 25702 556 1 . 1 1 101 101 ALA N N 101 115.674 115.674 121.257 -5.583 25702 557 1 . 1 1 101 101 ALA HA H 101 4.070 4.070 4.090 -0.020 25702 558 1 . 1 1 101 101 ALA C C 101 178.213 178.213 179.105 -0.892 25702 559 1 . 1 1 101 101 ALA CA C 101 53.884 53.884 53.838 0.046 25702 560 1 . 1 1 101 101 ALA CB C 101 19.043 19.043 19.399 -0.356 25702 561 1 . 1 1 101 101 ALA H H 101 7.619 7.619 7.770 -0.151 25702 562 1 . 1 1 102 102 ASN N N 102 115.986 115.986 114.904 1.081 25702 563 1 . 1 1 102 102 ASN HA H 102 4.784 4.784 4.600 0.184 25702 564 1 . 1 1 102 102 ASN C C 102 172.740 172.740 175.667 -2.927 25702 565 1 . 1 1 102 102 ASN CA C 102 54.300 54.300 54.073 0.227 25702 566 1 . 1 1 102 102 ASN CB C 102 42.889 42.889 39.302 3.587 25702 567 1 . 1 1 102 102 ASN H H 102 7.116 7.116 8.292 -1.176 25702 stop_ save_