data_18412 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18412 _Entry.PDB_ID 2LS7 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 18412 _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 ALA N N 2 124.384 124.384 123.638 0.746 18412 2 1 1 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.205 -0.006 18412 3 1 1 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.136 -0.485 18412 4 1 1 . 1 1 2 2 ALA CB C 2 18.385 18.385 18.038 0.347 18412 5 1 1 . 1 1 2 2 ALA H H 2 8.326 8.326 8.362 -0.036 18412 6 1 1 . 1 1 3 3 GLU N N 3 118.800 118.800 118.337 0.463 18412 7 1 1 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.094 0.104 18412 8 1 1 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.638 -0.234 18412 9 1 1 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.955 0.601 18412 10 1 1 . 1 1 3 3 GLU H H 3 8.411 8.411 9.088 -0.677 18412 11 1 1 . 1 1 4 4 TYR N N 4 123.838 123.838 120.547 3.291 18412 12 1 1 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.448 0.556 18412 13 1 1 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.209 0.423 18412 14 1 1 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.722 0.680 18412 15 1 1 . 1 1 4 4 TYR H H 4 8.448 8.448 8.237 0.211 18412 16 1 1 . 1 1 5 5 GLY N N 5 105.816 105.816 106.313 -0.497 18412 17 1 1 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.556 -0.414 18412 18 1 1 . 1 1 5 5 GLY H H 5 8.250 8.250 7.922 0.328 18412 19 1 1 . 1 1 6 6 THR N N 6 119.523 119.523 118.915 0.608 18412 20 1 1 . 1 1 6 6 THR HA H 6 3.802 3.802 3.924 -0.122 18412 21 1 1 . 1 1 6 6 THR CA C 6 66.449 66.449 66.210 0.239 18412 22 1 1 . 1 1 6 6 THR CB C 6 68.391 68.391 68.549 -0.158 18412 23 1 1 . 1 1 6 6 THR H H 6 7.868 7.868 7.523 0.345 18412 24 1 1 . 1 1 7 7 LEU N N 7 123.502 123.502 122.819 0.683 18412 25 1 1 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.759 0.480 18412 26 1 1 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.054 0.170 18412 27 1 1 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.762 -1.009 18412 28 1 1 . 1 1 7 7 LEU H H 7 7.594 7.594 8.083 -0.489 18412 29 1 1 . 1 1 8 8 LEU N N 8 115.222 115.222 117.843 -2.621 18412 30 1 1 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.341 -0.068 18412 31 1 1 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.004 0.130 18412 32 1 1 . 1 1 8 8 LEU CB C 8 40.136 40.136 40.089 0.047 18412 33 1 1 . 1 1 8 8 LEU H H 8 7.654 7.654 7.948 -0.294 18412 34 1 1 . 1 1 9 9 GLN N N 9 120.743 120.743 119.571 1.172 18412 35 1 1 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.939 -0.060 18412 36 1 1 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.184 -0.408 18412 37 1 1 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.158 0.770 18412 38 1 1 . 1 1 9 9 GLN H H 9 7.688 7.688 7.688 -0.000 18412 39 1 1 . 1 1 10 10 ASP N N 10 122.554 122.554 120.506 2.048 18412 40 1 1 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.360 -0.027 18412 41 1 1 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.587 0.090 18412 42 1 1 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.620 -0.683 18412 43 1 1 . 1 1 10 10 ASP H H 10 8.656 8.656 8.150 0.506 18412 44 1 1 . 1 1 11 11 LEU N N 11 119.408 119.408 117.761 1.647 18412 45 1 1 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.183 -0.297 18412 46 1 1 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.094 0.391 18412 47 1 1 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.010 2.243 18412 48 1 1 . 1 1 11 11 LEU H H 11 8.805 8.805 7.658 1.147 18412 49 1 1 . 1 1 12 12 THR N N 12 113.945 113.945 115.244 -1.299 18412 50 1 1 . 1 1 12 12 THR HA H 12 3.875 3.875 4.053 -0.178 18412 51 1 1 . 1 1 12 12 THR CA C 12 67.829 67.829 65.858 1.971 18412 52 1 1 . 1 1 12 12 THR CB C 12 68.521 68.521 68.150 0.371 18412 53 1 1 . 1 1 12 12 THR H H 12 8.305 8.305 8.078 0.227 18412 54 1 1 . 1 1 13 13 ASN N N 13 119.138 119.138 117.595 1.543 18412 55 1 1 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.580 0.010 18412 56 1 1 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.344 -0.695 18412 57 1 1 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.408 -0.145 18412 58 1 1 . 1 1 13 13 ASN H H 13 8.180 8.180 8.305 -0.125 18412 59 1 1 . 1 1 14 14 ASN N N 14 117.905 117.905 116.739 1.166 18412 60 1 1 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.707 0.119 18412 61 1 1 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.708 -0.350 18412 62 1 1 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.492 1.966 18412 63 1 1 . 1 1 14 14 ASN H H 14 7.778 7.778 7.523 0.255 18412 64 1 1 . 1 1 15 15 ILE N N 15 120.690 120.690 121.671 -0.981 18412 65 1 1 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.131 0.580 18412 66 1 1 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.608 0.269 18412 67 1 1 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.642 4.702 18412 68 1 1 . 1 1 15 15 ILE H H 15 7.234 7.234 7.653 -0.419 18412 69 1 1 . 1 1 16 16 THR N N 16 120.066 120.066 120.370 -0.304 18412 70 1 1 . 1 1 16 16 THR HA H 16 4.536 4.536 4.528 0.008 18412 71 1 1 . 1 1 16 16 THR CA C 16 60.804 60.804 59.809 0.995 18412 72 1 1 . 1 1 16 16 THR CB C 16 71.263 71.263 71.724 -0.461 18412 73 1 1 . 1 1 16 16 THR H H 16 9.188 9.188 8.641 0.547 18412 74 1 1 . 1 1 17 17 LEU N N 17 121.043 121.043 124.174 -3.131 18412 75 1 1 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.956 0.040 18412 76 1 1 . 1 1 17 17 LEU CA C 17 58.693 58.693 59.003 -0.310 18412 77 1 1 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.374 -0.047 18412 78 1 1 . 1 1 17 17 LEU H H 17 8.662 8.662 8.919 -0.257 18412 79 1 1 . 1 1 18 18 GLU N N 18 118.968 118.968 118.129 0.839 18412 80 1 1 . 1 1 18 18 GLU HA H 18 3.947 3.947 4.011 -0.064 18412 81 1 1 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.740 0.246 18412 82 1 1 . 1 1 18 18 GLU CB C 18 29.148 29.148 28.872 0.276 18412 83 1 1 . 1 1 18 18 GLU H H 18 8.374 8.374 8.681 -0.307 18412 84 1 1 . 1 1 19 19 ASP N N 19 121.542 121.542 120.788 0.754 18412 85 1 1 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.320 -0.177 18412 86 1 1 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.573 -0.982 18412 87 1 1 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.683 0.629 18412 88 1 1 . 1 1 19 19 ASP H H 19 7.857 7.857 8.331 -0.474 18412 89 1 1 . 1 1 20 20 LEU N N 20 120.904 120.904 119.997 0.907 18412 90 1 1 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.669 -0.252 18412 91 1 1 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.204 -1.290 18412 92 1 1 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.481 -0.379 18412 93 1 1 . 1 1 20 20 LEU H H 20 8.412 8.412 8.225 0.187 18412 94 1 1 . 1 1 21 21 GLU N N 21 117.187 117.187 118.163 -0.976 18412 95 1 1 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.783 0.015 18412 96 1 1 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.756 -0.485 18412 97 1 1 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.783 0.134 18412 98 1 1 . 1 1 21 21 GLU H H 21 7.462 7.462 7.739 -0.277 18412 99 1 1 . 1 1 22 22 GLN N N 22 118.617 118.617 119.755 -1.138 18412 100 1 1 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.071 -0.052 18412 101 1 1 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.828 -0.241 18412 102 1 1 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.567 -0.332 18412 103 1 1 . 1 1 22 22 GLN H H 22 7.135 7.135 7.462 -0.327 18412 104 1 1 . 1 1 23 23 LEU N N 23 121.325 121.325 120.550 0.775 18412 105 1 1 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.803 -0.098 18412 106 1 1 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.835 -0.050 18412 107 1 1 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.183 -1.563 18412 108 1 1 . 1 1 23 23 LEU H H 23 7.833 7.833 7.943 -0.110 18412 109 1 1 . 1 1 24 24 LYS N N 24 116.045 116.045 118.770 -2.725 18412 110 1 1 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.726 -0.076 18412 111 1 1 . 1 1 24 24 LYS CA C 24 60.545 60.545 58.597 1.948 18412 112 1 1 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.509 0.303 18412 113 1 1 . 1 1 24 24 LYS H H 24 8.307 8.307 8.372 -0.065 18412 114 1 1 . 1 1 25 25 SER N N 25 116.071 116.071 115.358 0.713 18412 115 1 1 . 1 1 25 25 SER HA H 25 4.111 4.111 4.150 -0.039 18412 116 1 1 . 1 1 25 25 SER CA C 25 61.557 61.557 61.523 0.034 18412 117 1 1 . 1 1 25 25 SER CB C 25 62.565 62.565 62.743 -0.178 18412 118 1 1 . 1 1 25 25 SER H H 25 7.781 7.781 7.897 -0.116 18412 119 1 1 . 1 1 26 26 ALA N N 26 123.448 123.448 124.545 -1.097 18412 120 1 1 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.129 0.046 18412 121 1 1 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.840 -0.591 18412 122 1 1 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.426 0.287 18412 123 1 1 . 1 1 26 26 ALA H H 26 7.735 7.735 7.897 -0.162 18412 124 1 1 . 1 1 27 27 CYS N N 27 113.480 113.480 116.262 -2.782 18412 125 1 1 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.397 0.234 18412 126 1 1 . 1 1 27 27 CYS CA C 27 59.381 59.381 59.706 -0.325 18412 127 1 1 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.183 2.451 18412 128 1 1 . 1 1 27 27 CYS H H 27 7.390 7.390 8.285 -0.895 18412 129 1 1 . 1 1 28 28 LYS N N 28 118.354 118.354 120.725 -2.371 18412 130 1 1 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.956 -0.011 18412 131 1 1 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.769 -1.349 18412 132 1 1 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.970 -0.423 18412 133 1 1 . 1 1 28 28 LYS H H 28 7.634 7.634 7.596 0.038 18412 134 1 1 . 1 1 29 29 GLU N N 29 118.875 118.875 117.054 1.821 18412 135 1 1 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.175 -0.018 18412 136 1 1 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.524 -0.284 18412 137 1 1 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.641 -0.777 18412 138 1 1 . 1 1 29 29 GLU H H 29 8.552 8.552 8.505 0.047 18412 139 1 1 . 1 1 30 30 ASP N N 30 117.610 117.610 118.241 -0.631 18412 140 1 1 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.719 -0.131 18412 141 1 1 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.829 0.054 18412 142 1 1 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.935 -0.408 18412 143 1 1 . 1 1 30 30 ASP H H 30 7.962 7.962 7.503 0.459 18412 144 1 1 . 1 1 31 31 ILE N N 31 116.930 116.930 121.914 -4.984 18412 145 1 1 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.691 -0.324 18412 146 1 1 . 1 1 31 31 ILE CA C 31 58.033 58.033 56.956 1.077 18412 147 1 1 . 1 1 31 31 ILE CB C 31 38.769 38.769 40.173 -1.404 18412 148 1 1 . 1 1 31 31 ILE H H 31 7.317 7.317 8.353 -1.036 18412 149 1 1 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.648 -0.187 18412 150 1 1 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.628 0.217 18412 151 1 1 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.618 -0.104 18412 152 1 1 . 1 1 33 33 SER N N 33 119.808 119.808 118.662 1.146 18412 153 1 1 . 1 1 33 33 SER HA H 33 4.141 4.141 3.917 0.224 18412 154 1 1 . 1 1 33 33 SER CA C 33 61.125 61.125 62.382 -1.257 18412 155 1 1 . 1 1 33 33 SER CB C 33 63.000 63.000 63.035 -0.035 18412 156 1 1 . 1 1 33 33 SER H H 33 8.778 8.778 8.891 -0.113 18412 157 1 1 . 1 1 34 34 GLU N N 34 120.906 120.906 119.126 1.780 18412 158 1 1 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.079 0.126 18412 159 1 1 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.674 -0.974 18412 160 1 1 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.401 -0.689 18412 161 1 1 . 1 1 34 34 GLU H H 34 9.336 9.336 8.705 0.631 18412 162 1 1 . 1 1 35 35 LYS N N 35 117.698 117.698 117.669 0.029 18412 163 1 1 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.011 0.336 18412 164 1 1 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.650 -2.190 18412 165 1 1 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.418 0.839 18412 166 1 1 . 1 1 35 35 LYS H H 35 7.659 7.659 7.780 -0.121 18412 167 1 1 . 1 1 36 36 SER N N 36 114.472 114.472 115.344 -0.872 18412 168 1 1 . 1 1 36 36 SER HA H 36 3.652 3.652 4.086 -0.434 18412 169 1 1 . 1 1 36 36 SER CA C 36 61.450 61.450 61.308 0.142 18412 170 1 1 . 1 1 36 36 SER CB C 36 62.820 62.820 62.757 0.063 18412 171 1 1 . 1 1 36 36 SER H H 36 7.732 7.732 8.459 -0.727 18412 172 1 1 . 1 1 37 37 GLU N N 37 118.258 118.258 121.257 -2.999 18412 173 1 1 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.054 -0.084 18412 174 1 1 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.736 -0.623 18412 175 1 1 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.539 0.005 18412 176 1 1 . 1 1 37 37 GLU H H 37 8.187 8.187 7.655 0.532 18412 177 1 1 . 1 1 38 38 GLU N N 38 115.652 115.652 116.979 -1.327 18412 178 1 1 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.311 -0.115 18412 179 1 1 . 1 1 38 38 GLU CA C 38 56.494 56.494 55.920 0.574 18412 180 1 1 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.035 1.067 18412 181 1 1 . 1 1 38 38 GLU H H 38 7.472 7.472 7.966 -0.494 18412 182 1 1 . 1 1 39 39 ILE N N 39 121.367 121.367 123.682 -2.315 18412 183 1 1 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.158 -0.173 18412 184 1 1 . 1 1 39 39 ILE CA C 39 60.919 60.919 60.928 -0.009 18412 185 1 1 . 1 1 39 39 ILE CB C 39 37.404 37.404 36.060 1.344 18412 186 1 1 . 1 1 39 39 ILE H H 39 7.504 7.504 7.254 0.250 18412 187 1 1 . 1 1 40 40 THR N N 40 115.102 115.102 116.738 -1.636 18412 188 1 1 . 1 1 40 40 THR HA H 40 4.459 4.459 4.359 0.100 18412 189 1 1 . 1 1 40 40 THR CA C 40 61.169 61.169 62.660 -1.490 18412 190 1 1 . 1 1 40 40 THR CB C 40 69.913 69.913 69.315 0.598 18412 191 1 1 . 1 1 40 40 THR H H 40 8.173 8.173 7.657 0.516 18412 192 1 1 . 1 1 41 41 THR N N 41 108.664 108.664 112.989 -4.325 18412 193 1 1 . 1 1 41 41 THR HA H 41 4.602 4.602 4.548 0.054 18412 194 1 1 . 1 1 41 41 THR CA C 41 59.116 59.116 61.117 -2.001 18412 195 1 1 . 1 1 41 41 THR CB C 41 73.442 73.442 70.725 2.717 18412 196 1 1 . 1 1 41 41 THR H H 41 7.104 7.104 7.334 -0.230 18412 197 1 1 . 1 1 42 42 GLY N N 42 109.200 109.200 112.030 -2.830 18412 198 1 1 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.385 0.126 18412 199 1 1 . 1 1 42 42 GLY H H 42 9.196 9.196 9.027 0.169 18412 200 1 1 . 1 1 43 43 SER N N 43 114.564 114.564 117.238 -2.674 18412 201 1 1 . 1 1 43 43 SER HA H 43 4.360 4.360 4.432 -0.072 18412 202 1 1 . 1 1 43 43 SER CA C 43 61.523 61.523 61.816 -0.293 18412 203 1 1 . 1 1 43 43 SER CB C 43 62.448 62.448 62.876 -0.428 18412 204 1 1 . 1 1 43 43 SER H H 43 8.208 8.208 8.287 -0.079 18412 205 1 1 . 1 1 44 44 ALA N N 44 123.757 123.757 124.740 -0.983 18412 206 1 1 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.143 0.138 18412 207 1 1 . 1 1 44 44 ALA CA C 44 54.526 54.526 55.155 -0.629 18412 208 1 1 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.404 0.929 18412 209 1 1 . 1 1 44 44 ALA H H 44 7.964 7.964 8.034 -0.070 18412 210 1 1 . 1 1 45 45 TRP N N 45 122.904 122.904 120.360 2.544 18412 211 1 1 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.395 -0.167 18412 212 1 1 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.547 1.083 18412 213 1 1 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.202 -1.678 18412 214 1 1 . 1 1 45 45 TRP H H 45 8.001 8.001 7.846 0.155 18412 215 1 1 . 1 1 46 46 PHE N N 46 116.699 116.699 118.760 -2.061 18412 216 1 1 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.613 0.273 18412 217 1 1 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.928 -0.236 18412 218 1 1 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.032 -0.188 18412 219 1 1 . 1 1 46 46 PHE H H 46 8.250 8.250 8.001 0.249 18412 220 1 1 . 1 1 47 47 SER N N 47 113.740 113.740 116.184 -2.444 18412 221 1 1 . 1 1 47 47 SER HA H 47 4.419 4.419 4.519 -0.100 18412 222 1 1 . 1 1 47 47 SER CA C 47 61.723 61.723 61.619 0.104 18412 223 1 1 . 1 1 47 47 SER CB C 47 62.769 62.769 62.712 0.057 18412 224 1 1 . 1 1 47 47 SER H H 47 8.331 8.331 8.909 -0.578 18412 225 1 1 . 1 1 48 48 PHE N N 48 124.310 124.310 124.212 0.098 18412 226 1 1 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.168 0.084 18412 227 1 1 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.058 0.729 18412 228 1 1 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.757 0.174 18412 229 1 1 . 1 1 48 48 PHE H H 48 8.175 8.175 8.210 -0.035 18412 230 1 1 . 1 1 49 49 LEU N N 49 120.565 120.565 120.571 -0.006 18412 231 1 1 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.310 0.212 18412 232 1 1 . 1 1 49 49 LEU CA C 49 58.233 58.233 57.941 0.292 18412 233 1 1 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.260 0.265 18412 234 1 1 . 1 1 49 49 LEU H H 49 8.212 8.212 8.387 -0.175 18412 235 1 1 . 1 1 50 50 GLU N N 50 120.639 120.639 118.179 2.460 18412 236 1 1 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.184 0.392 18412 237 1 1 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.998 0.178 18412 238 1 1 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.392 1.232 18412 239 1 1 . 1 1 50 50 GLU H H 50 8.702 8.702 8.718 -0.016 18412 240 1 1 . 1 1 51 51 SER N N 51 116.044 116.044 113.772 2.272 18412 241 1 1 . 1 1 51 51 SER HA H 51 4.178 4.178 4.257 -0.079 18412 242 1 1 . 1 1 51 51 SER CA C 51 60.575 60.575 60.702 -0.127 18412 243 1 1 . 1 1 51 51 SER CB C 51 62.881 62.881 63.623 -0.742 18412 244 1 1 . 1 1 51 51 SER H H 51 8.272 8.272 7.540 0.732 18412 245 1 1 . 1 1 52 52 HIS N N 52 118.134 118.134 118.339 -0.205 18412 246 1 1 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.535 -0.131 18412 247 1 1 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.870 2.547 18412 248 1 1 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.112 -2.692 18412 249 1 1 . 1 1 52 52 HIS H H 52 7.217 7.217 7.329 -0.112 18412 250 1 1 . 1 1 53 53 ASN N N 53 113.597 113.597 120.239 -6.642 18412 251 1 1 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.579 -0.069 18412 252 1 1 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.023 1.782 18412 253 1 1 . 1 1 53 53 ASN CB C 53 36.763 36.763 38.357 -1.594 18412 254 1 1 . 1 1 53 53 ASN H H 53 7.893 7.893 8.684 -0.791 18412 255 1 1 . 1 1 54 54 LYS N N 54 113.123 113.123 118.978 -5.855 18412 256 1 1 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.296 -0.061 18412 257 1 1 . 1 1 54 54 LYS CA C 54 54.263 54.263 54.241 0.022 18412 258 1 1 . 1 1 54 54 LYS CB C 54 33.545 33.545 32.280 1.265 18412 259 1 1 . 1 1 54 54 LYS H H 54 8.082 8.082 7.646 0.436 18412 260 1 1 . 1 1 55 55 LEU N N 55 120.215 120.215 119.356 0.859 18412 261 1 1 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.551 0.104 18412 262 1 1 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.122 0.145 18412 263 1 1 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.603 2.774 18412 264 1 1 . 1 1 55 55 LEU H H 55 6.882 6.882 7.272 -0.390 18412 265 1 1 . 1 1 56 56 ASP N N 56 120.831 120.831 127.416 -6.585 18412 266 1 1 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.685 -0.293 18412 267 1 1 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.403 -0.737 18412 268 1 1 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.726 -0.411 18412 269 1 1 . 1 1 56 56 ASP H H 56 8.078 8.078 8.426 -0.348 18412 270 1 1 . 1 1 57 57 LYS N N 57 115.203 115.203 118.899 -3.696 18412 271 1 1 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.204 -0.839 18412 272 1 1 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.422 -0.770 18412 273 1 1 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.225 -0.907 18412 274 1 1 . 1 1 57 57 LYS H H 57 7.958 7.958 8.626 -0.668 18412 275 1 1 . 1 1 58 58 ASP N N 58 118.074 118.074 116.140 1.934 18412 276 1 1 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.380 0.577 18412 277 1 1 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.958 -0.675 18412 278 1 1 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.038 2.021 18412 279 1 1 . 1 1 58 58 ASP H H 58 8.336 8.336 8.209 0.127 18412 280 1 1 . 1 1 59 59 ASN N N 59 119.835 119.835 118.616 1.219 18412 281 1 1 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.788 0.172 18412 282 1 1 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.588 -0.859 18412 283 1 1 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.935 -0.058 18412 284 1 1 . 1 1 59 59 ASN H H 59 7.850 7.850 8.134 -0.284 18412 285 1 1 . 1 1 60 60 LEU N N 60 125.541 125.541 121.474 4.067 18412 286 1 1 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.991 -0.431 18412 287 1 1 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.660 -2.412 18412 288 1 1 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.509 -0.319 18412 289 1 1 . 1 1 60 60 LEU H H 60 8.995 8.995 8.418 0.577 18412 290 1 1 . 1 1 61 61 SER N N 61 114.344 114.344 117.425 -3.081 18412 291 1 1 . 1 1 61 61 SER HA H 61 4.159 4.159 4.140 0.019 18412 292 1 1 . 1 1 61 61 SER CA C 61 62.002 62.002 61.906 0.096 18412 293 1 1 . 1 1 61 61 SER CB C 61 62.987 62.987 62.997 -0.010 18412 294 1 1 . 1 1 61 61 SER H H 61 7.880 7.880 8.372 -0.492 18412 295 1 1 . 1 1 62 62 TYR N N 62 125.087 125.087 120.848 4.239 18412 296 1 1 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.291 0.008 18412 297 1 1 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.011 1.194 18412 298 1 1 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.533 0.392 18412 299 1 1 . 1 1 62 62 TYR H H 62 8.765 8.765 8.283 0.482 18412 300 1 1 . 1 1 63 63 ILE N N 63 111.338 111.338 116.321 -4.983 18412 301 1 1 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.792 -0.150 18412 302 1 1 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.151 0.967 18412 303 1 1 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.227 -0.844 18412 304 1 1 . 1 1 63 63 ILE H H 63 7.631 7.631 7.806 -0.175 18412 305 1 1 . 1 1 64 64 GLU N N 64 121.049 121.049 121.827 -0.778 18412 306 1 1 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.128 -0.403 18412 307 1 1 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.161 0.734 18412 308 1 1 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.655 0.583 18412 309 1 1 . 1 1 64 64 GLU H H 64 7.987 7.987 8.600 -0.613 18412 310 1 1 . 1 1 65 65 HIS N N 65 117.657 117.657 119.138 -1.481 18412 311 1 1 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.285 0.153 18412 312 1 1 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.564 -0.542 18412 313 1 1 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.589 -1.002 18412 314 1 1 . 1 1 65 65 HIS H H 65 7.513 7.513 7.747 -0.234 18412 315 1 1 . 1 1 66 66 ILE N N 66 118.281 118.281 118.862 -0.581 18412 316 1 1 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.463 -0.036 18412 317 1 1 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.573 -1.835 18412 318 1 1 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.242 -1.156 18412 319 1 1 . 1 1 66 66 ILE H H 66 7.924 7.924 7.428 0.496 18412 320 1 1 . 1 1 67 67 PHE N N 67 121.084 121.084 116.350 4.734 18412 321 1 1 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.152 0.314 18412 322 1 1 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.042 -3.360 18412 323 1 1 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.668 -0.990 18412 324 1 1 . 1 1 67 67 PHE H H 67 8.737 8.737 7.938 0.799 18412 325 1 1 . 1 1 68 68 GLU N N 68 120.739 120.739 120.037 0.702 18412 326 1 1 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.046 0.040 18412 327 1 1 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.135 0.965 18412 328 1 1 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.855 -0.120 18412 329 1 1 . 1 1 68 68 GLU H H 68 8.228 8.228 7.410 0.818 18412 330 1 1 . 1 1 69 69 ILE N N 69 117.535 117.535 113.189 4.346 18412 331 1 1 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.892 0.148 18412 332 1 1 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.170 1.061 18412 333 1 1 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.032 -0.405 18412 334 1 1 . 1 1 69 69 ILE H H 69 8.393 8.393 7.830 0.563 18412 335 1 1 . 1 1 70 70 SER N N 70 115.058 115.058 115.882 -0.824 18412 336 1 1 . 1 1 70 70 SER HA H 70 4.419 4.419 4.357 0.062 18412 337 1 1 . 1 1 70 70 SER CA C 70 58.502 58.502 57.441 1.061 18412 338 1 1 . 1 1 70 70 SER CB C 70 63.029 63.029 63.849 -0.820 18412 339 1 1 . 1 1 70 70 SER H H 70 7.857 7.857 7.817 0.040 18412 340 1 1 . 1 1 71 71 ARG N N 71 115.621 115.621 126.345 -10.724 18412 341 1 1 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.296 -0.394 18412 342 1 1 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.122 0.330 18412 343 1 1 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.762 -1.412 18412 344 1 1 . 1 1 71 71 ARG H H 71 7.753 7.753 8.732 -0.979 18412 345 1 1 . 1 1 72 72 ARG N N 72 115.226 115.226 120.417 -5.191 18412 346 1 1 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.810 0.264 18412 347 1 1 . 1 1 72 72 ARG CA C 72 49.613 49.613 54.056 -4.444 18412 348 1 1 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.385 -1.823 18412 349 1 1 . 1 1 72 72 ARG H H 72 8.006 8.006 8.339 -0.333 18412 350 1 1 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.552 -0.215 18412 351 1 1 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.150 0.548 18412 352 1 1 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.841 -0.512 18412 353 1 1 . 1 1 74 74 ASP N N 74 118.600 118.600 118.931 -0.331 18412 354 1 1 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.468 -0.288 18412 355 1 1 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.246 -1.256 18412 356 1 1 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.008 -1.973 18412 357 1 1 . 1 1 74 74 ASP H H 74 9.152 9.152 8.722 0.430 18412 358 1 1 . 1 1 75 75 LEU N N 75 120.762 120.762 119.787 0.975 18412 359 1 1 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.909 -0.002 18412 360 1 1 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.347 -0.985 18412 361 1 1 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.139 -2.500 18412 362 1 1 . 1 1 75 75 LEU H H 75 7.044 7.044 7.348 -0.304 18412 363 1 1 . 1 1 76 76 LEU N N 76 118.917 118.917 120.327 -1.410 18412 364 1 1 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.030 0.088 18412 365 1 1 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.895 -0.042 18412 366 1 1 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.590 1.016 18412 367 1 1 . 1 1 76 76 LEU H H 76 7.850 7.850 7.576 0.274 18412 368 1 1 . 1 1 77 77 THR N N 77 114.574 114.574 115.936 -1.362 18412 369 1 1 . 1 1 77 77 THR HA H 77 3.830 3.830 3.848 -0.018 18412 370 1 1 . 1 1 77 77 THR CA C 77 66.882 66.882 67.000 -0.118 18412 371 1 1 . 1 1 77 77 THR CB C 77 68.991 68.991 68.662 0.329 18412 372 1 1 . 1 1 77 77 THR H H 77 8.287 8.287 8.089 0.198 18412 373 1 1 . 1 1 78 78 MET N N 78 118.873 118.873 119.715 -0.842 18412 374 1 1 . 1 1 78 78 MET HA H 78 4.155 4.155 4.158 -0.003 18412 375 1 1 . 1 1 78 78 MET CA C 78 59.838 59.838 58.049 1.789 18412 376 1 1 . 1 1 78 78 MET CB C 78 32.697 32.697 31.411 1.286 18412 377 1 1 . 1 1 78 78 MET H H 78 7.032 7.032 7.632 -0.600 18412 378 1 1 . 1 1 79 79 VAL N N 79 120.046 120.046 119.898 0.148 18412 379 1 1 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.827 -0.106 18412 380 1 1 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.704 0.277 18412 381 1 1 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.381 0.651 18412 382 1 1 . 1 1 79 79 VAL H H 79 7.633 7.633 7.792 -0.159 18412 383 1 1 . 1 1 80 80 VAL N N 80 121.510 121.510 121.462 0.048 18412 384 1 1 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.803 -0.262 18412 385 1 1 . 1 1 80 80 VAL CA C 80 67.105 67.105 66.034 1.071 18412 386 1 1 . 1 1 80 80 VAL CB C 80 31.847 31.847 30.764 1.083 18412 387 1 1 . 1 1 80 80 VAL H H 80 8.601 8.601 8.712 -0.111 18412 388 1 1 . 1 1 81 81 ASP N N 81 121.760 121.760 120.056 1.704 18412 389 1 1 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.349 0.004 18412 390 1 1 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.336 0.340 18412 391 1 1 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.959 -0.388 18412 392 1 1 . 1 1 81 81 ASP H H 81 8.677 8.677 8.531 0.146 18412 393 1 1 . 1 1 82 82 TYR N N 82 121.025 121.025 120.669 0.356 18412 394 1 1 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.115 0.072 18412 395 1 1 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.471 0.032 18412 396 1 1 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.527 0.096 18412 397 1 1 . 1 1 82 82 TYR H H 82 7.608 7.608 7.958 -0.350 18412 398 1 1 . 1 1 83 83 ARG N N 83 119.379 119.379 118.365 1.014 18412 399 1 1 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.665 0.006 18412 400 1 1 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.138 0.739 18412 401 1 1 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.575 0.803 18412 402 1 1 . 1 1 83 83 ARG H H 83 8.596 8.596 8.212 0.384 18412 403 1 1 . 1 1 84 84 THR N N 84 113.330 113.330 116.185 -2.855 18412 404 1 1 . 1 1 84 84 THR HA H 84 3.946 3.946 4.057 -0.111 18412 405 1 1 . 1 1 84 84 THR CA C 84 65.316 65.316 66.698 -1.382 18412 406 1 1 . 1 1 84 84 THR CB C 84 69.273 69.273 68.428 0.845 18412 407 1 1 . 1 1 84 84 THR H H 84 8.305 8.305 7.920 0.385 18412 408 1 1 . 1 1 85 85 ARG N N 85 121.457 121.457 121.734 -0.277 18412 409 1 1 . 1 1 85 85 ARG HA H 85 4.057 4.057 3.995 0.062 18412 410 1 1 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.415 -0.510 18412 411 1 1 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.168 1.637 18412 412 1 1 . 1 1 85 85 ARG H H 85 7.949 7.949 8.270 -0.321 18412 413 1 1 . 1 1 86 86 VAL N N 86 117.232 117.232 119.992 -2.760 18412 414 1 1 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.763 0.034 18412 415 1 1 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.981 -1.717 18412 416 1 1 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.157 0.551 18412 417 1 1 . 1 1 86 86 VAL H H 86 7.962 7.962 7.837 0.125 18412 418 1 1 . 1 1 87 87 LEU N N 87 120.870 120.870 122.109 -1.239 18412 419 1 1 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.987 0.171 18412 420 1 1 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.189 -2.133 18412 421 1 1 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.261 0.472 18412 422 1 1 . 1 1 87 87 LEU H H 87 7.463 7.463 7.395 0.068 18412 423 1 1 . 1 1 88 88 LYS N N 88 118.925 118.925 117.506 1.419 18412 424 1 1 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.142 0.026 18412 425 1 1 . 1 1 88 88 LYS CA C 88 56.689 56.689 57.774 -1.085 18412 426 1 1 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.759 -0.637 18412 427 1 1 . 1 1 88 88 LYS H H 88 7.602 7.602 8.166 -0.564 18412 428 1 1 . 1 1 89 89 ILE N N 89 120.845 120.845 119.064 1.781 18412 429 1 1 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.899 0.150 18412 430 1 1 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.952 -1.085 18412 431 1 1 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.555 0.105 18412 432 1 1 . 1 1 89 89 ILE H H 89 7.882 7.882 7.745 0.137 18412 433 1 2 . 1 1 2 2 ALA N N 2 124.384 124.384 124.455 -0.071 18412 434 1 2 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.208 -0.009 18412 435 1 2 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.019 -0.367 18412 436 1 2 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.845 0.541 18412 437 1 2 . 1 1 2 2 ALA H H 2 8.326 8.326 8.449 -0.123 18412 438 1 2 . 1 1 3 3 GLU N N 3 118.800 118.800 117.929 0.871 18412 439 1 2 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.125 0.073 18412 440 1 2 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.538 -0.134 18412 441 1 2 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.130 0.426 18412 442 1 2 . 1 1 3 3 GLU H H 3 8.411 8.411 9.099 -0.688 18412 443 1 2 . 1 1 4 4 TYR N N 4 123.838 123.838 120.706 3.132 18412 444 1 2 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.648 0.356 18412 445 1 2 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.400 0.232 18412 446 1 2 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.763 0.639 18412 447 1 2 . 1 1 4 4 TYR H H 4 8.448 8.448 8.420 0.028 18412 448 1 2 . 1 1 5 5 GLY N N 5 105.816 105.816 106.264 -0.448 18412 449 1 2 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.432 -0.290 18412 450 1 2 . 1 1 5 5 GLY H H 5 8.250 8.250 8.322 -0.072 18412 451 1 2 . 1 1 6 6 THR N N 6 119.523 119.523 119.521 0.002 18412 452 1 2 . 1 1 6 6 THR HA H 6 3.802 3.802 4.033 -0.231 18412 453 1 2 . 1 1 6 6 THR CA C 6 66.449 66.449 65.958 0.491 18412 454 1 2 . 1 1 6 6 THR CB C 6 68.391 68.391 68.959 -0.568 18412 455 1 2 . 1 1 6 6 THR H H 6 7.868 7.868 8.058 -0.190 18412 456 1 2 . 1 1 7 7 LEU N N 7 123.502 123.502 122.758 0.744 18412 457 1 2 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.804 0.435 18412 458 1 2 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.113 0.112 18412 459 1 2 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.286 -1.534 18412 460 1 2 . 1 1 7 7 LEU H H 7 7.594 7.594 8.070 -0.476 18412 461 1 2 . 1 1 8 8 LEU N N 8 115.222 115.222 117.398 -2.176 18412 462 1 2 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.358 -0.085 18412 463 1 2 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.032 0.102 18412 464 1 2 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.994 0.142 18412 465 1 2 . 1 1 8 8 LEU H H 8 7.654 7.654 7.796 -0.142 18412 466 1 2 . 1 1 9 9 GLN N N 9 120.743 120.743 119.491 1.252 18412 467 1 2 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.950 -0.071 18412 468 1 2 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.167 -0.391 18412 469 1 2 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.175 0.753 18412 470 1 2 . 1 1 9 9 GLN H H 9 7.688 7.688 7.562 0.126 18412 471 1 2 . 1 1 10 10 ASP N N 10 122.554 122.554 120.483 2.071 18412 472 1 2 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.369 -0.036 18412 473 1 2 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.617 0.060 18412 474 1 2 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.717 -0.780 18412 475 1 2 . 1 1 10 10 ASP H H 10 8.656 8.656 8.162 0.494 18412 476 1 2 . 1 1 11 11 LEU N N 11 119.408 119.408 117.579 1.829 18412 477 1 2 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.173 -0.287 18412 478 1 2 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.063 0.422 18412 479 1 2 . 1 1 11 11 LEU CB C 11 43.253 43.253 40.919 2.334 18412 480 1 2 . 1 1 11 11 LEU H H 11 8.805 8.805 7.767 1.038 18412 481 1 2 . 1 1 12 12 THR N N 12 113.945 113.945 115.491 -1.546 18412 482 1 2 . 1 1 12 12 THR HA H 12 3.875 3.875 4.021 -0.146 18412 483 1 2 . 1 1 12 12 THR CA C 12 67.829 67.829 66.697 1.132 18412 484 1 2 . 1 1 12 12 THR CB C 12 68.521 68.521 68.355 0.166 18412 485 1 2 . 1 1 12 12 THR H H 12 8.305 8.305 8.067 0.238 18412 486 1 2 . 1 1 13 13 ASN N N 13 119.138 119.138 117.239 1.899 18412 487 1 2 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.596 -0.006 18412 488 1 2 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.273 -0.623 18412 489 1 2 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.414 -0.151 18412 490 1 2 . 1 1 13 13 ASN H H 13 8.180 8.180 8.249 -0.069 18412 491 1 2 . 1 1 14 14 ASN N N 14 117.905 117.905 116.197 1.708 18412 492 1 2 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.688 0.138 18412 493 1 2 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.594 -0.236 18412 494 1 2 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.648 1.810 18412 495 1 2 . 1 1 14 14 ASN H H 14 7.778 7.778 7.638 0.140 18412 496 1 2 . 1 1 15 15 ILE N N 15 120.690 120.690 121.612 -0.922 18412 497 1 2 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.200 0.511 18412 498 1 2 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.361 0.516 18412 499 1 2 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.373 4.971 18412 500 1 2 . 1 1 15 15 ILE H H 15 7.234 7.234 7.512 -0.278 18412 501 1 2 . 1 1 16 16 THR N N 16 120.066 120.066 118.804 1.262 18412 502 1 2 . 1 1 16 16 THR HA H 16 4.536 4.536 4.491 0.045 18412 503 1 2 . 1 1 16 16 THR CA C 16 60.804 60.804 60.021 0.783 18412 504 1 2 . 1 1 16 16 THR CB C 16 71.263 71.263 71.365 -0.102 18412 505 1 2 . 1 1 16 16 THR H H 16 9.188 9.188 7.874 1.314 18412 506 1 2 . 1 1 17 17 LEU N N 17 121.043 121.043 122.298 -1.255 18412 507 1 2 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.953 0.043 18412 508 1 2 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.896 -0.203 18412 509 1 2 . 1 1 17 17 LEU CB C 17 41.327 41.327 40.741 0.586 18412 510 1 2 . 1 1 17 17 LEU H H 17 8.662 8.662 8.847 -0.185 18412 511 1 2 . 1 1 18 18 GLU N N 18 118.968 118.968 119.051 -0.083 18412 512 1 2 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.996 -0.049 18412 513 1 2 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.534 0.452 18412 514 1 2 . 1 1 18 18 GLU CB C 18 29.148 29.148 28.905 0.243 18412 515 1 2 . 1 1 18 18 GLU H H 18 8.374 8.374 8.568 -0.194 18412 516 1 2 . 1 1 19 19 ASP N N 19 121.542 121.542 121.273 0.269 18412 517 1 2 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.369 -0.226 18412 518 1 2 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.276 -0.685 18412 519 1 2 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.269 1.043 18412 520 1 2 . 1 1 19 19 ASP H H 19 7.857 7.857 8.578 -0.721 18412 521 1 2 . 1 1 20 20 LEU N N 20 120.904 120.904 120.136 0.768 18412 522 1 2 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.618 -0.201 18412 523 1 2 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.339 -1.425 18412 524 1 2 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.599 -0.497 18412 525 1 2 . 1 1 20 20 LEU H H 20 8.412 8.412 8.441 -0.029 18412 526 1 2 . 1 1 21 21 GLU N N 21 117.187 117.187 118.604 -1.417 18412 527 1 2 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.773 0.025 18412 528 1 2 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.703 -0.432 18412 529 1 2 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.143 -0.226 18412 530 1 2 . 1 1 21 21 GLU H H 21 7.462 7.462 8.333 -0.871 18412 531 1 2 . 1 1 22 22 GLN N N 22 118.617 118.617 120.137 -1.520 18412 532 1 2 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.055 -0.036 18412 533 1 2 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.763 -0.176 18412 534 1 2 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.756 -0.521 18412 535 1 2 . 1 1 22 22 GLN H H 22 7.135 7.135 7.930 -0.795 18412 536 1 2 . 1 1 23 23 LEU N N 23 121.325 121.325 120.319 1.006 18412 537 1 2 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.804 -0.099 18412 538 1 2 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.871 -0.086 18412 539 1 2 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.291 -1.671 18412 540 1 2 . 1 1 23 23 LEU H H 23 7.833 7.833 8.391 -0.558 18412 541 1 2 . 1 1 24 24 LYS N N 24 116.045 116.045 118.436 -2.391 18412 542 1 2 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.659 -0.009 18412 543 1 2 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.659 0.886 18412 544 1 2 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.977 -0.165 18412 545 1 2 . 1 1 24 24 LYS H H 24 8.307 8.307 8.359 -0.052 18412 546 1 2 . 1 1 25 25 SER N N 25 116.071 116.071 115.420 0.651 18412 547 1 2 . 1 1 25 25 SER HA H 25 4.111 4.111 4.086 0.025 18412 548 1 2 . 1 1 25 25 SER CA C 25 61.557 61.557 61.764 -0.207 18412 549 1 2 . 1 1 25 25 SER CB C 25 62.565 62.565 62.650 -0.085 18412 550 1 2 . 1 1 25 25 SER H H 25 7.781 7.781 7.740 0.041 18412 551 1 2 . 1 1 26 26 ALA N N 26 123.448 123.448 123.635 -0.187 18412 552 1 2 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.016 0.159 18412 553 1 2 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.767 -0.518 18412 554 1 2 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.387 0.326 18412 555 1 2 . 1 1 26 26 ALA H H 26 7.735 7.735 7.790 -0.055 18412 556 1 2 . 1 1 27 27 CYS N N 27 113.480 113.480 116.688 -3.208 18412 557 1 2 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.329 0.302 18412 558 1 2 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.650 -1.269 18412 559 1 2 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.849 1.785 18412 560 1 2 . 1 1 27 27 CYS H H 27 7.390 7.390 8.399 -1.009 18412 561 1 2 . 1 1 28 28 LYS N N 28 118.354 118.354 121.175 -2.821 18412 562 1 2 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.004 -0.059 18412 563 1 2 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.245 -0.825 18412 564 1 2 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.407 0.140 18412 565 1 2 . 1 1 28 28 LYS H H 28 7.634 7.634 7.774 -0.140 18412 566 1 2 . 1 1 29 29 GLU N N 29 118.875 118.875 117.799 1.076 18412 567 1 2 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.201 -0.044 18412 568 1 2 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.249 -0.009 18412 569 1 2 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.659 -0.795 18412 570 1 2 . 1 1 29 29 GLU H H 29 8.552 8.552 8.442 0.110 18412 571 1 2 . 1 1 30 30 ASP N N 30 117.610 117.610 118.352 -0.742 18412 572 1 2 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.754 -0.166 18412 573 1 2 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.226 0.657 18412 574 1 2 . 1 1 30 30 ASP CB C 30 41.527 41.527 42.094 -0.567 18412 575 1 2 . 1 1 30 30 ASP H H 30 7.962 7.962 7.776 0.186 18412 576 1 2 . 1 1 31 31 ILE N N 31 116.930 116.930 122.660 -5.730 18412 577 1 2 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.674 -0.307 18412 578 1 2 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.351 0.682 18412 579 1 2 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.847 -1.078 18412 580 1 2 . 1 1 31 31 ILE H H 31 7.317 7.317 8.422 -1.105 18412 581 1 2 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.597 -0.136 18412 582 1 2 . 1 1 32 32 PRO CA C 32 62.845 62.845 63.073 -0.228 18412 583 1 2 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.346 0.168 18412 584 1 2 . 1 1 33 33 SER N N 33 119.808 119.808 119.577 0.231 18412 585 1 2 . 1 1 33 33 SER HA H 33 4.141 4.141 3.936 0.205 18412 586 1 2 . 1 1 33 33 SER CA C 33 61.125 61.125 61.892 -0.767 18412 587 1 2 . 1 1 33 33 SER CB C 33 63.000 63.000 63.047 -0.047 18412 588 1 2 . 1 1 33 33 SER H H 33 8.778 8.778 8.933 -0.155 18412 589 1 2 . 1 1 34 34 GLU N N 34 120.906 120.906 119.090 1.816 18412 590 1 2 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.064 0.141 18412 591 1 2 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.747 -1.047 18412 592 1 2 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.365 -0.653 18412 593 1 2 . 1 1 34 34 GLU H H 34 9.336 9.336 8.672 0.664 18412 594 1 2 . 1 1 35 35 LYS N N 35 117.698 117.698 117.561 0.137 18412 595 1 2 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.986 0.361 18412 596 1 2 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.750 -2.290 18412 597 1 2 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.594 0.663 18412 598 1 2 . 1 1 35 35 LYS H H 35 7.659 7.659 7.806 -0.147 18412 599 1 2 . 1 1 36 36 SER N N 36 114.472 114.472 115.319 -0.847 18412 600 1 2 . 1 1 36 36 SER HA H 36 3.652 3.652 4.029 -0.377 18412 601 1 2 . 1 1 36 36 SER CA C 36 61.450 61.450 61.584 -0.134 18412 602 1 2 . 1 1 36 36 SER CB C 36 62.820 62.820 62.909 -0.089 18412 603 1 2 . 1 1 36 36 SER H H 36 7.732 7.732 8.559 -0.827 18412 604 1 2 . 1 1 37 37 GLU N N 37 118.258 118.258 121.237 -2.979 18412 605 1 2 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.100 -0.130 18412 606 1 2 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.706 -0.593 18412 607 1 2 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.211 0.333 18412 608 1 2 . 1 1 37 37 GLU H H 37 8.187 8.187 7.758 0.429 18412 609 1 2 . 1 1 38 38 GLU N N 38 115.652 115.652 117.192 -1.540 18412 610 1 2 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.332 -0.136 18412 611 1 2 . 1 1 38 38 GLU CA C 38 56.494 56.494 55.924 0.570 18412 612 1 2 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.089 1.013 18412 613 1 2 . 1 1 38 38 GLU H H 38 7.472 7.472 7.824 -0.352 18412 614 1 2 . 1 1 39 39 ILE N N 39 121.367 121.367 123.829 -2.462 18412 615 1 2 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.095 -0.110 18412 616 1 2 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.094 -0.175 18412 617 1 2 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.844 1.560 18412 618 1 2 . 1 1 39 39 ILE H H 39 7.504 7.504 7.241 0.263 18412 619 1 2 . 1 1 40 40 THR N N 40 115.102 115.102 115.484 -0.382 18412 620 1 2 . 1 1 40 40 THR HA H 40 4.459 4.459 4.285 0.174 18412 621 1 2 . 1 1 40 40 THR CA C 40 61.169 61.169 62.787 -1.618 18412 622 1 2 . 1 1 40 40 THR CB C 40 69.913 69.913 69.010 0.903 18412 623 1 2 . 1 1 40 40 THR H H 40 8.173 8.173 8.085 0.088 18412 624 1 2 . 1 1 41 41 THR N N 41 108.664 108.664 112.343 -3.679 18412 625 1 2 . 1 1 41 41 THR HA H 41 4.602 4.602 4.490 0.112 18412 626 1 2 . 1 1 41 41 THR CA C 41 59.116 59.116 60.435 -1.319 18412 627 1 2 . 1 1 41 41 THR CB C 41 73.442 73.442 70.720 2.722 18412 628 1 2 . 1 1 41 41 THR H H 41 7.104 7.104 7.387 -0.283 18412 629 1 2 . 1 1 42 42 GLY N N 42 109.200 109.200 111.829 -2.629 18412 630 1 2 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.143 0.368 18412 631 1 2 . 1 1 42 42 GLY H H 42 9.196 9.196 8.971 0.225 18412 632 1 2 . 1 1 43 43 SER N N 43 114.564 114.564 117.306 -2.742 18412 633 1 2 . 1 1 43 43 SER HA H 43 4.360 4.360 4.401 -0.041 18412 634 1 2 . 1 1 43 43 SER CA C 43 61.523 61.523 61.894 -0.371 18412 635 1 2 . 1 1 43 43 SER CB C 43 62.448 62.448 63.207 -0.759 18412 636 1 2 . 1 1 43 43 SER H H 43 8.208 8.208 8.326 -0.118 18412 637 1 2 . 1 1 44 44 ALA N N 44 123.757 123.757 124.604 -0.847 18412 638 1 2 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.208 0.073 18412 639 1 2 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.954 -0.428 18412 640 1 2 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.240 1.093 18412 641 1 2 . 1 1 44 44 ALA H H 44 7.964 7.964 8.073 -0.109 18412 642 1 2 . 1 1 45 45 TRP N N 45 122.904 122.904 120.443 2.461 18412 643 1 2 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.380 -0.152 18412 644 1 2 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.371 1.259 18412 645 1 2 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.189 -1.665 18412 646 1 2 . 1 1 45 45 TRP H H 45 8.001 8.001 7.719 0.282 18412 647 1 2 . 1 1 46 46 PHE N N 46 116.699 116.699 118.451 -1.752 18412 648 1 2 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.630 0.256 18412 649 1 2 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.940 -0.247 18412 650 1 2 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.014 -0.169 18412 651 1 2 . 1 1 46 46 PHE H H 46 8.250 8.250 8.028 0.222 18412 652 1 2 . 1 1 47 47 SER N N 47 113.740 113.740 115.475 -1.735 18412 653 1 2 . 1 1 47 47 SER HA H 47 4.419 4.419 4.198 0.221 18412 654 1 2 . 1 1 47 47 SER CA C 47 61.723 61.723 61.706 0.017 18412 655 1 2 . 1 1 47 47 SER CB C 47 62.769 62.769 62.528 0.241 18412 656 1 2 . 1 1 47 47 SER H H 47 8.331 8.331 8.913 -0.582 18412 657 1 2 . 1 1 48 48 PHE N N 48 124.310 124.310 124.177 0.133 18412 658 1 2 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.203 0.049 18412 659 1 2 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.152 0.635 18412 660 1 2 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.881 0.050 18412 661 1 2 . 1 1 48 48 PHE H H 48 8.175 8.175 8.190 -0.015 18412 662 1 2 . 1 1 49 49 LEU N N 49 120.565 120.565 120.444 0.121 18412 663 1 2 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.433 0.089 18412 664 1 2 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.127 0.106 18412 665 1 2 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.390 0.135 18412 666 1 2 . 1 1 49 49 LEU H H 49 8.212 8.212 8.498 -0.286 18412 667 1 2 . 1 1 50 50 GLU N N 50 120.639 120.639 117.517 3.122 18412 668 1 2 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.240 0.336 18412 669 1 2 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.807 0.369 18412 670 1 2 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.517 1.107 18412 671 1 2 . 1 1 50 50 GLU H H 50 8.702 8.702 8.667 0.035 18412 672 1 2 . 1 1 51 51 SER N N 51 116.044 116.044 113.062 2.982 18412 673 1 2 . 1 1 51 51 SER HA H 51 4.178 4.178 4.284 -0.106 18412 674 1 2 . 1 1 51 51 SER CA C 51 60.575 60.575 60.447 0.128 18412 675 1 2 . 1 1 51 51 SER CB C 51 62.881 62.881 63.639 -0.758 18412 676 1 2 . 1 1 51 51 SER H H 51 8.272 8.272 7.662 0.610 18412 677 1 2 . 1 1 52 52 HIS N N 52 118.134 118.134 117.770 0.364 18412 678 1 2 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.600 -0.196 18412 679 1 2 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.649 2.768 18412 680 1 2 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.249 -2.829 18412 681 1 2 . 1 1 52 52 HIS H H 52 7.217 7.217 7.464 -0.247 18412 682 1 2 . 1 1 53 53 ASN N N 53 113.597 113.597 118.450 -4.853 18412 683 1 2 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.627 -0.117 18412 684 1 2 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.513 1.292 18412 685 1 2 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.107 -0.344 18412 686 1 2 . 1 1 53 53 ASN H H 53 7.893 7.893 8.780 -0.887 18412 687 1 2 . 1 1 54 54 LYS N N 54 113.123 113.123 118.655 -5.532 18412 688 1 2 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.206 0.029 18412 689 1 2 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.578 -1.315 18412 690 1 2 . 1 1 54 54 LYS CB C 54 33.545 33.545 32.909 0.636 18412 691 1 2 . 1 1 54 54 LYS H H 54 8.082 8.082 7.567 0.515 18412 692 1 2 . 1 1 55 55 LEU N N 55 120.215 120.215 119.797 0.418 18412 693 1 2 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.507 0.148 18412 694 1 2 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.951 0.316 18412 695 1 2 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.904 2.473 18412 696 1 2 . 1 1 55 55 LEU H H 55 6.882 6.882 7.301 -0.419 18412 697 1 2 . 1 1 56 56 ASP N N 56 120.831 120.831 127.800 -6.969 18412 698 1 2 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.691 -0.299 18412 699 1 2 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.475 -0.809 18412 700 1 2 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.934 -0.619 18412 701 1 2 . 1 1 56 56 ASP H H 56 8.078 8.078 8.590 -0.512 18412 702 1 2 . 1 1 57 57 LYS N N 57 115.203 115.203 119.018 -3.815 18412 703 1 2 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.214 -0.849 18412 704 1 2 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.113 -0.461 18412 705 1 2 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.090 -0.772 18412 706 1 2 . 1 1 57 57 LYS H H 57 7.958 7.958 8.668 -0.710 18412 707 1 2 . 1 1 58 58 ASP N N 58 118.074 118.074 116.680 1.394 18412 708 1 2 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.405 0.552 18412 709 1 2 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.779 -0.496 18412 710 1 2 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.048 2.011 18412 711 1 2 . 1 1 58 58 ASP H H 58 8.336 8.336 8.147 0.189 18412 712 1 2 . 1 1 59 59 ASN N N 59 119.835 119.835 118.630 1.205 18412 713 1 2 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.688 0.272 18412 714 1 2 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.223 -0.494 18412 715 1 2 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.803 0.074 18412 716 1 2 . 1 1 59 59 ASN H H 59 7.850 7.850 8.100 -0.250 18412 717 1 2 . 1 1 60 60 LEU N N 60 125.541 125.541 120.907 4.634 18412 718 1 2 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.972 -0.412 18412 719 1 2 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.873 -2.625 18412 720 1 2 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.723 -0.533 18412 721 1 2 . 1 1 60 60 LEU H H 60 8.995 8.995 8.405 0.590 18412 722 1 2 . 1 1 61 61 SER N N 61 114.344 114.344 118.003 -3.659 18412 723 1 2 . 1 1 61 61 SER HA H 61 4.159 4.159 4.387 -0.228 18412 724 1 2 . 1 1 61 61 SER CA C 61 62.002 62.002 61.929 0.072 18412 725 1 2 . 1 1 61 61 SER CB C 61 62.987 62.987 62.641 0.346 18412 726 1 2 . 1 1 61 61 SER H H 61 7.880 7.880 8.329 -0.449 18412 727 1 2 . 1 1 62 62 TYR N N 62 125.087 125.087 122.216 2.871 18412 728 1 2 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.196 0.103 18412 729 1 2 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.523 0.682 18412 730 1 2 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.352 0.573 18412 731 1 2 . 1 1 62 62 TYR H H 62 8.765 8.765 8.290 0.475 18412 732 1 2 . 1 1 63 63 ILE N N 63 111.338 111.338 115.950 -4.612 18412 733 1 2 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.685 -0.043 18412 734 1 2 . 1 1 63 63 ILE CA C 63 65.118 65.118 63.985 1.133 18412 735 1 2 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.100 -0.717 18412 736 1 2 . 1 1 63 63 ILE H H 63 7.631 7.631 7.841 -0.210 18412 737 1 2 . 1 1 64 64 GLU N N 64 121.049 121.049 122.102 -1.053 18412 738 1 2 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.072 -0.347 18412 739 1 2 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.155 0.740 18412 740 1 2 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.602 0.635 18412 741 1 2 . 1 1 64 64 GLU H H 64 7.987 7.987 8.415 -0.428 18412 742 1 2 . 1 1 65 65 HIS N N 65 117.657 117.657 119.153 -1.496 18412 743 1 2 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.254 0.184 18412 744 1 2 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.447 -0.425 18412 745 1 2 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.640 -1.053 18412 746 1 2 . 1 1 65 65 HIS H H 65 7.513 7.513 7.901 -0.388 18412 747 1 2 . 1 1 66 66 ILE N N 66 118.281 118.281 118.865 -0.584 18412 748 1 2 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.450 -0.023 18412 749 1 2 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.555 -1.817 18412 750 1 2 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.117 -1.032 18412 751 1 2 . 1 1 66 66 ILE H H 66 7.924 7.924 7.461 0.463 18412 752 1 2 . 1 1 67 67 PHE N N 67 121.084 121.084 116.947 4.137 18412 753 1 2 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.451 0.015 18412 754 1 2 . 1 1 67 67 PHE CA C 67 57.682 57.682 59.987 -2.305 18412 755 1 2 . 1 1 67 67 PHE CB C 67 36.678 36.678 38.004 -1.326 18412 756 1 2 . 1 1 67 67 PHE H H 67 8.737 8.737 7.995 0.742 18412 757 1 2 . 1 1 68 68 GLU N N 68 120.739 120.739 119.853 0.886 18412 758 1 2 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.085 0.001 18412 759 1 2 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.950 1.150 18412 760 1 2 . 1 1 68 68 GLU CB C 68 29.735 29.735 30.079 -0.344 18412 761 1 2 . 1 1 68 68 GLU H H 68 8.228 8.228 7.664 0.564 18412 762 1 2 . 1 1 69 69 ILE N N 69 117.535 117.535 113.595 3.940 18412 763 1 2 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.887 0.153 18412 764 1 2 . 1 1 69 69 ILE CA C 69 64.231 64.231 62.967 1.264 18412 765 1 2 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.009 -0.382 18412 766 1 2 . 1 1 69 69 ILE H H 69 8.393 8.393 7.970 0.423 18412 767 1 2 . 1 1 70 70 SER N N 70 115.058 115.058 116.291 -1.233 18412 768 1 2 . 1 1 70 70 SER HA H 70 4.419 4.419 4.433 -0.014 18412 769 1 2 . 1 1 70 70 SER CA C 70 58.502 58.502 57.669 0.833 18412 770 1 2 . 1 1 70 70 SER CB C 70 63.029 63.029 64.817 -1.788 18412 771 1 2 . 1 1 70 70 SER H H 70 7.857 7.857 7.949 -0.092 18412 772 1 2 . 1 1 71 71 ARG N N 71 115.621 115.621 122.409 -6.788 18412 773 1 2 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.273 -0.371 18412 774 1 2 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.100 0.352 18412 775 1 2 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.703 -1.353 18412 776 1 2 . 1 1 71 71 ARG H H 71 7.753 7.753 8.578 -0.825 18412 777 1 2 . 1 1 72 72 ARG N N 72 115.226 115.226 118.862 -3.636 18412 778 1 2 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.944 0.130 18412 779 1 2 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.992 -4.379 18412 780 1 2 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.949 -2.387 18412 781 1 2 . 1 1 72 72 ARG H H 72 8.006 8.006 8.386 -0.380 18412 782 1 2 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.492 -0.155 18412 783 1 2 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.736 -0.038 18412 784 1 2 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.791 -0.462 18412 785 1 2 . 1 1 74 74 ASP N N 74 118.600 118.600 119.983 -1.383 18412 786 1 2 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.386 -0.206 18412 787 1 2 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.765 -1.775 18412 788 1 2 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.998 -1.963 18412 789 1 2 . 1 1 74 74 ASP H H 74 9.152 9.152 8.617 0.535 18412 790 1 2 . 1 1 75 75 LEU N N 75 120.762 120.762 119.463 1.299 18412 791 1 2 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.953 -0.046 18412 792 1 2 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.097 -0.735 18412 793 1 2 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.155 -2.516 18412 794 1 2 . 1 1 75 75 LEU H H 75 7.044 7.044 7.329 -0.285 18412 795 1 2 . 1 1 76 76 LEU N N 76 118.917 118.917 120.533 -1.616 18412 796 1 2 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.047 0.071 18412 797 1 2 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.789 0.064 18412 798 1 2 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.477 1.129 18412 799 1 2 . 1 1 76 76 LEU H H 76 7.850 7.850 7.843 0.007 18412 800 1 2 . 1 1 77 77 THR N N 77 114.574 114.574 115.347 -0.773 18412 801 1 2 . 1 1 77 77 THR HA H 77 3.830 3.830 3.941 -0.111 18412 802 1 2 . 1 1 77 77 THR CA C 77 66.882 66.882 67.310 -0.428 18412 803 1 2 . 1 1 77 77 THR CB C 77 68.991 68.991 68.437 0.554 18412 804 1 2 . 1 1 77 77 THR H H 77 8.287 8.287 8.302 -0.015 18412 805 1 2 . 1 1 78 78 MET N N 78 118.873 118.873 118.304 0.569 18412 806 1 2 . 1 1 78 78 MET HA H 78 4.155 4.155 4.309 -0.154 18412 807 1 2 . 1 1 78 78 MET CA C 78 59.838 59.838 58.321 1.517 18412 808 1 2 . 1 1 78 78 MET CB C 78 32.697 32.697 31.284 1.413 18412 809 1 2 . 1 1 78 78 MET H H 78 7.032 7.032 7.541 -0.509 18412 810 1 2 . 1 1 79 79 VAL N N 79 120.046 120.046 119.990 0.056 18412 811 1 2 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.770 -0.049 18412 812 1 2 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.602 0.379 18412 813 1 2 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.635 0.397 18412 814 1 2 . 1 1 79 79 VAL H H 79 7.633 7.633 7.554 0.079 18412 815 1 2 . 1 1 80 80 VAL N N 80 121.510 121.510 120.584 0.926 18412 816 1 2 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.647 -0.106 18412 817 1 2 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.412 -0.307 18412 818 1 2 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.371 0.476 18412 819 1 2 . 1 1 80 80 VAL H H 80 8.601 8.601 8.489 0.112 18412 820 1 2 . 1 1 81 81 ASP N N 81 121.760 121.760 119.684 2.076 18412 821 1 2 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.326 0.027 18412 822 1 2 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.315 0.361 18412 823 1 2 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.985 -0.414 18412 824 1 2 . 1 1 81 81 ASP H H 81 8.677 8.677 8.502 0.175 18412 825 1 2 . 1 1 82 82 TYR N N 82 121.025 121.025 120.890 0.135 18412 826 1 2 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.106 0.081 18412 827 1 2 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.710 -0.207 18412 828 1 2 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.558 0.065 18412 829 1 2 . 1 1 82 82 TYR H H 82 7.608 7.608 8.096 -0.488 18412 830 1 2 . 1 1 83 83 ARG N N 83 119.379 119.379 118.645 0.734 18412 831 1 2 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.766 -0.095 18412 832 1 2 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.441 0.436 18412 833 1 2 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.614 0.764 18412 834 1 2 . 1 1 83 83 ARG H H 83 8.596 8.596 8.379 0.217 18412 835 1 2 . 1 1 84 84 THR N N 84 113.330 113.330 116.165 -2.835 18412 836 1 2 . 1 1 84 84 THR HA H 84 3.946 3.946 4.096 -0.150 18412 837 1 2 . 1 1 84 84 THR CA C 84 65.316 65.316 66.422 -1.106 18412 838 1 2 . 1 1 84 84 THR CB C 84 69.273 69.273 68.622 0.651 18412 839 1 2 . 1 1 84 84 THR H H 84 8.305 8.305 7.846 0.459 18412 840 1 2 . 1 1 85 85 ARG N N 85 121.457 121.457 122.273 -0.816 18412 841 1 2 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.064 -0.007 18412 842 1 2 . 1 1 85 85 ARG CA C 85 58.905 58.905 58.981 -0.076 18412 843 1 2 . 1 1 85 85 ARG CB C 85 30.805 30.805 28.552 2.253 18412 844 1 2 . 1 1 85 85 ARG H H 85 7.949 7.949 8.520 -0.571 18412 845 1 2 . 1 1 86 86 VAL N N 86 117.232 117.232 119.639 -2.407 18412 846 1 2 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.769 0.028 18412 847 1 2 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.030 -0.766 18412 848 1 2 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.515 1.192 18412 849 1 2 . 1 1 86 86 VAL H H 86 7.962 7.962 8.153 -0.191 18412 850 1 2 . 1 1 87 87 LEU N N 87 120.870 120.870 122.239 -1.369 18412 851 1 2 . 1 1 87 87 LEU HA H 87 4.158 4.158 4.005 0.153 18412 852 1 2 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.105 -2.049 18412 853 1 2 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.736 -0.002 18412 854 1 2 . 1 1 87 87 LEU H H 87 7.463 7.463 7.339 0.124 18412 855 1 2 . 1 1 88 88 LYS N N 88 118.925 118.925 118.421 0.504 18412 856 1 2 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.127 0.041 18412 857 1 2 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.267 -1.578 18412 858 1 2 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.690 -0.568 18412 859 1 2 . 1 1 88 88 LYS H H 88 7.602 7.602 8.338 -0.736 18412 860 1 2 . 1 1 89 89 ILE N N 89 120.845 120.845 119.263 1.582 18412 861 1 2 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.879 0.170 18412 862 1 2 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.864 -0.997 18412 863 1 2 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.541 0.119 18412 864 1 2 . 1 1 89 89 ILE H H 89 7.882 7.882 7.823 0.059 18412 865 1 3 . 1 1 2 2 ALA N N 2 124.384 124.384 123.390 0.994 18412 866 1 3 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.161 0.038 18412 867 1 3 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.162 -0.510 18412 868 1 3 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.729 0.656 18412 869 1 3 . 1 1 2 2 ALA H H 2 8.326 8.326 8.531 -0.205 18412 870 1 3 . 1 1 3 3 GLU N N 3 118.800 118.800 118.332 0.468 18412 871 1 3 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.118 0.080 18412 872 1 3 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.777 -0.373 18412 873 1 3 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.869 0.687 18412 874 1 3 . 1 1 3 3 GLU H H 3 8.411 8.411 9.143 -0.732 18412 875 1 3 . 1 1 4 4 TYR N N 4 123.838 123.838 120.469 3.369 18412 876 1 3 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.799 0.205 18412 877 1 3 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.280 0.352 18412 878 1 3 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.757 0.645 18412 879 1 3 . 1 1 4 4 TYR H H 4 8.448 8.448 8.269 0.179 18412 880 1 3 . 1 1 5 5 GLY N N 5 105.816 105.816 106.262 -0.446 18412 881 1 3 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.523 -0.381 18412 882 1 3 . 1 1 5 5 GLY H H 5 8.250 8.250 8.502 -0.252 18412 883 1 3 . 1 1 6 6 THR N N 6 119.523 119.523 119.010 0.513 18412 884 1 3 . 1 1 6 6 THR HA H 6 3.802 3.802 4.169 -0.367 18412 885 1 3 . 1 1 6 6 THR CA C 6 66.449 66.449 65.292 1.157 18412 886 1 3 . 1 1 6 6 THR CB C 6 68.391 68.391 68.544 -0.153 18412 887 1 3 . 1 1 6 6 THR H H 6 7.868 7.868 8.298 -0.430 18412 888 1 3 . 1 1 7 7 LEU N N 7 123.502 123.502 123.255 0.247 18412 889 1 3 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.988 0.251 18412 890 1 3 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.820 0.405 18412 891 1 3 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.994 -1.241 18412 892 1 3 . 1 1 7 7 LEU H H 7 7.594 7.594 8.035 -0.441 18412 893 1 3 . 1 1 8 8 LEU N N 8 115.222 115.222 117.708 -2.486 18412 894 1 3 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.235 0.038 18412 895 1 3 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.413 -0.279 18412 896 1 3 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.948 0.188 18412 897 1 3 . 1 1 8 8 LEU H H 8 7.654 7.654 7.593 0.061 18412 898 1 3 . 1 1 9 9 GLN N N 9 120.743 120.743 118.682 2.061 18412 899 1 3 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.941 -0.062 18412 900 1 3 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.158 -0.382 18412 901 1 3 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.031 0.897 18412 902 1 3 . 1 1 9 9 GLN H H 9 7.688 7.688 7.526 0.162 18412 903 1 3 . 1 1 10 10 ASP N N 10 122.554 122.554 120.795 1.759 18412 904 1 3 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.338 -0.005 18412 905 1 3 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.338 0.339 18412 906 1 3 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.296 -0.359 18412 907 1 3 . 1 1 10 10 ASP H H 10 8.656 8.656 8.148 0.508 18412 908 1 3 . 1 1 11 11 LEU N N 11 119.408 119.408 117.212 2.196 18412 909 1 3 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.204 -0.318 18412 910 1 3 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.105 0.380 18412 911 1 3 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.045 2.208 18412 912 1 3 . 1 1 11 11 LEU H H 11 8.805 8.805 7.684 1.121 18412 913 1 3 . 1 1 12 12 THR N N 12 113.945 113.945 115.236 -1.291 18412 914 1 3 . 1 1 12 12 THR HA H 12 3.875 3.875 4.022 -0.147 18412 915 1 3 . 1 1 12 12 THR CA C 12 67.829 67.829 66.536 1.293 18412 916 1 3 . 1 1 12 12 THR CB C 12 68.521 68.521 68.334 0.188 18412 917 1 3 . 1 1 12 12 THR H H 12 8.305 8.305 7.971 0.334 18412 918 1 3 . 1 1 13 13 ASN N N 13 119.138 119.138 117.831 1.307 18412 919 1 3 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.604 -0.014 18412 920 1 3 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.227 -0.577 18412 921 1 3 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.419 -0.156 18412 922 1 3 . 1 1 13 13 ASN H H 13 8.180 8.180 8.277 -0.097 18412 923 1 3 . 1 1 14 14 ASN N N 14 117.905 117.905 116.087 1.818 18412 924 1 3 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.684 0.142 18412 925 1 3 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.410 -0.052 18412 926 1 3 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.629 1.829 18412 927 1 3 . 1 1 14 14 ASN H H 14 7.778 7.778 7.673 0.105 18412 928 1 3 . 1 1 15 15 ILE N N 15 120.690 120.690 121.451 -0.761 18412 929 1 3 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.047 0.664 18412 930 1 3 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.145 0.732 18412 931 1 3 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.609 4.735 18412 932 1 3 . 1 1 15 15 ILE H H 15 7.234 7.234 7.464 -0.230 18412 933 1 3 . 1 1 16 16 THR N N 16 120.066 120.066 119.072 0.994 18412 934 1 3 . 1 1 16 16 THR HA H 16 4.536 4.536 4.562 -0.026 18412 935 1 3 . 1 1 16 16 THR CA C 16 60.804 60.804 59.934 0.870 18412 936 1 3 . 1 1 16 16 THR CB C 16 71.263 71.263 71.477 -0.214 18412 937 1 3 . 1 1 16 16 THR H H 16 9.188 9.188 8.096 1.092 18412 938 1 3 . 1 1 17 17 LEU N N 17 121.043 121.043 122.157 -1.114 18412 939 1 3 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.920 0.076 18412 940 1 3 . 1 1 17 17 LEU CA C 17 58.693 58.693 59.076 -0.383 18412 941 1 3 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.069 0.258 18412 942 1 3 . 1 1 17 17 LEU H H 17 8.662 8.662 8.840 -0.178 18412 943 1 3 . 1 1 18 18 GLU N N 18 118.968 118.968 118.675 0.293 18412 944 1 3 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.840 0.107 18412 945 1 3 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.611 0.375 18412 946 1 3 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.286 -0.138 18412 947 1 3 . 1 1 18 18 GLU H H 18 8.374 8.374 8.677 -0.303 18412 948 1 3 . 1 1 19 19 ASP N N 19 121.542 121.542 121.191 0.351 18412 949 1 3 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.311 -0.169 18412 950 1 3 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.761 -1.170 18412 951 1 3 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.662 0.650 18412 952 1 3 . 1 1 19 19 ASP H H 19 7.857 7.857 8.426 -0.569 18412 953 1 3 . 1 1 20 20 LEU N N 20 120.904 120.904 120.262 0.642 18412 954 1 3 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.648 -0.231 18412 955 1 3 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.270 -1.355 18412 956 1 3 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.556 -0.454 18412 957 1 3 . 1 1 20 20 LEU H H 20 8.412 8.412 8.446 -0.034 18412 958 1 3 . 1 1 21 21 GLU N N 21 117.187 117.187 118.414 -1.227 18412 959 1 3 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.825 -0.027 18412 960 1 3 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.470 -0.199 18412 961 1 3 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.762 0.155 18412 962 1 3 . 1 1 21 21 GLU H H 21 7.462 7.462 8.131 -0.669 18412 963 1 3 . 1 1 22 22 GLN N N 22 118.617 118.617 120.243 -1.626 18412 964 1 3 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.061 -0.042 18412 965 1 3 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.771 -0.184 18412 966 1 3 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.653 -0.418 18412 967 1 3 . 1 1 22 22 GLN H H 22 7.135 7.135 8.075 -0.940 18412 968 1 3 . 1 1 23 23 LEU N N 23 121.325 121.325 120.520 0.805 18412 969 1 3 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.800 -0.095 18412 970 1 3 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.852 -0.067 18412 971 1 3 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.213 -1.593 18412 972 1 3 . 1 1 23 23 LEU H H 23 7.833 7.833 8.370 -0.537 18412 973 1 3 . 1 1 24 24 LYS N N 24 116.045 116.045 118.928 -2.883 18412 974 1 3 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.714 -0.064 18412 975 1 3 . 1 1 24 24 LYS CA C 24 60.545 60.545 58.617 1.928 18412 976 1 3 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.452 0.360 18412 977 1 3 . 1 1 24 24 LYS H H 24 8.307 8.307 8.367 -0.060 18412 978 1 3 . 1 1 25 25 SER N N 25 116.071 116.071 115.245 0.826 18412 979 1 3 . 1 1 25 25 SER HA H 25 4.111 4.111 4.152 -0.041 18412 980 1 3 . 1 1 25 25 SER CA C 25 61.557 61.557 61.461 0.097 18412 981 1 3 . 1 1 25 25 SER CB C 25 62.565 62.565 62.633 -0.068 18412 982 1 3 . 1 1 25 25 SER H H 25 7.781 7.781 7.997 -0.216 18412 983 1 3 . 1 1 26 26 ALA N N 26 123.448 123.448 124.337 -0.889 18412 984 1 3 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.150 0.025 18412 985 1 3 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.882 -0.633 18412 986 1 3 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.385 0.328 18412 987 1 3 . 1 1 26 26 ALA H H 26 7.735 7.735 7.850 -0.115 18412 988 1 3 . 1 1 27 27 CYS N N 27 113.480 113.480 116.350 -2.870 18412 989 1 3 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.452 0.179 18412 990 1 3 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.749 -1.368 18412 991 1 3 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.361 2.273 18412 992 1 3 . 1 1 27 27 CYS H H 27 7.390 7.390 8.318 -0.928 18412 993 1 3 . 1 1 28 28 LYS N N 28 118.354 118.354 120.617 -2.263 18412 994 1 3 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.021 -0.076 18412 995 1 3 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.526 -1.106 18412 996 1 3 . 1 1 28 28 LYS CB C 28 31.547 31.547 32.011 -0.464 18412 997 1 3 . 1 1 28 28 LYS H H 28 7.634 7.634 7.766 -0.132 18412 998 1 3 . 1 1 29 29 GLU N N 29 118.875 118.875 116.871 2.004 18412 999 1 3 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.154 0.003 18412 1000 1 3 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.480 -0.240 18412 1001 1 3 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.640 -0.776 18412 1002 1 3 . 1 1 29 29 GLU H H 29 8.552 8.552 8.359 0.193 18412 1003 1 3 . 1 1 30 30 ASP N N 30 117.610 117.610 117.979 -0.369 18412 1004 1 3 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.598 -0.010 18412 1005 1 3 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.520 0.363 18412 1006 1 3 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.913 -0.386 18412 1007 1 3 . 1 1 30 30 ASP H H 30 7.962 7.962 7.609 0.353 18412 1008 1 3 . 1 1 31 31 ILE N N 31 116.930 116.930 122.198 -5.268 18412 1009 1 3 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.685 -0.318 18412 1010 1 3 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.461 0.572 18412 1011 1 3 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.883 -1.114 18412 1012 1 3 . 1 1 31 31 ILE H H 31 7.317 7.317 8.382 -1.065 18412 1013 1 3 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.548 -0.087 18412 1014 1 3 . 1 1 32 32 PRO CA C 32 62.845 62.845 63.345 -0.500 18412 1015 1 3 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.304 0.210 18412 1016 1 3 . 1 1 33 33 SER N N 33 119.808 119.808 120.093 -0.285 18412 1017 1 3 . 1 1 33 33 SER HA H 33 4.141 4.141 3.893 0.248 18412 1018 1 3 . 1 1 33 33 SER CA C 33 61.125 61.125 62.384 -1.259 18412 1019 1 3 . 1 1 33 33 SER CB C 33 63.000 63.000 63.280 -0.280 18412 1020 1 3 . 1 1 33 33 SER H H 33 8.778 8.778 8.938 -0.160 18412 1021 1 3 . 1 1 34 34 GLU N N 34 120.906 120.906 119.673 1.233 18412 1022 1 3 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.173 0.032 18412 1023 1 3 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.446 -0.745 18412 1024 1 3 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.387 -0.675 18412 1025 1 3 . 1 1 34 34 GLU H H 34 9.336 9.336 8.712 0.624 18412 1026 1 3 . 1 1 35 35 LYS N N 35 117.698 117.698 117.653 0.045 18412 1027 1 3 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.996 0.351 18412 1028 1 3 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.674 -2.214 18412 1029 1 3 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.502 0.755 18412 1030 1 3 . 1 1 35 35 LYS H H 35 7.659 7.659 7.816 -0.157 18412 1031 1 3 . 1 1 36 36 SER N N 36 114.472 114.472 115.129 -0.657 18412 1032 1 3 . 1 1 36 36 SER HA H 36 3.652 3.652 4.065 -0.413 18412 1033 1 3 . 1 1 36 36 SER CA C 36 61.450 61.450 61.459 -0.009 18412 1034 1 3 . 1 1 36 36 SER CB C 36 62.820 62.820 62.762 0.058 18412 1035 1 3 . 1 1 36 36 SER H H 36 7.732 7.732 8.318 -0.586 18412 1036 1 3 . 1 1 37 37 GLU N N 37 118.258 118.258 120.584 -2.326 18412 1037 1 3 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.075 -0.105 18412 1038 1 3 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.725 -0.612 18412 1039 1 3 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.540 0.004 18412 1040 1 3 . 1 1 37 37 GLU H H 37 8.187 8.187 7.660 0.527 18412 1041 1 3 . 1 1 38 38 GLU N N 38 115.652 115.652 116.628 -0.976 18412 1042 1 3 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.222 -0.026 18412 1043 1 3 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.877 -0.383 18412 1044 1 3 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.598 0.504 18412 1045 1 3 . 1 1 38 38 GLU H H 38 7.472 7.472 7.638 -0.166 18412 1046 1 3 . 1 1 39 39 ILE N N 39 121.367 121.367 122.726 -1.359 18412 1047 1 3 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.077 -0.092 18412 1048 1 3 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.043 -0.124 18412 1049 1 3 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.815 1.589 18412 1050 1 3 . 1 1 39 39 ILE H H 39 7.504 7.504 7.102 0.402 18412 1051 1 3 . 1 1 40 40 THR N N 40 115.102 115.102 116.635 -1.533 18412 1052 1 3 . 1 1 40 40 THR HA H 40 4.459 4.459 4.357 0.102 18412 1053 1 3 . 1 1 40 40 THR CA C 40 61.169 61.169 62.672 -1.502 18412 1054 1 3 . 1 1 40 40 THR CB C 40 69.913 69.913 69.075 0.839 18412 1055 1 3 . 1 1 40 40 THR H H 40 8.173 8.173 7.888 0.285 18412 1056 1 3 . 1 1 41 41 THR N N 41 108.664 108.664 113.075 -4.411 18412 1057 1 3 . 1 1 41 41 THR HA H 41 4.602 4.602 4.550 0.052 18412 1058 1 3 . 1 1 41 41 THR CA C 41 59.116 59.116 60.750 -1.634 18412 1059 1 3 . 1 1 41 41 THR CB C 41 73.442 73.442 70.615 2.827 18412 1060 1 3 . 1 1 41 41 THR H H 41 7.104 7.104 7.330 -0.226 18412 1061 1 3 . 1 1 42 42 GLY N N 42 109.200 109.200 111.652 -2.452 18412 1062 1 3 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.243 0.268 18412 1063 1 3 . 1 1 42 42 GLY H H 42 9.196 9.196 9.087 0.109 18412 1064 1 3 . 1 1 43 43 SER N N 43 114.564 114.564 117.244 -2.680 18412 1065 1 3 . 1 1 43 43 SER HA H 43 4.360 4.360 4.346 0.014 18412 1066 1 3 . 1 1 43 43 SER CA C 43 61.523 61.523 61.458 0.065 18412 1067 1 3 . 1 1 43 43 SER CB C 43 62.448 62.448 63.114 -0.666 18412 1068 1 3 . 1 1 43 43 SER H H 43 8.208 8.208 8.353 -0.145 18412 1069 1 3 . 1 1 44 44 ALA N N 44 123.757 123.757 124.633 -0.876 18412 1070 1 3 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.195 0.086 18412 1071 1 3 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.730 -0.204 18412 1072 1 3 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.299 1.034 18412 1073 1 3 . 1 1 44 44 ALA H H 44 7.964 7.964 8.004 -0.040 18412 1074 1 3 . 1 1 45 45 TRP N N 45 122.904 122.904 120.522 2.382 18412 1075 1 3 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.371 -0.143 18412 1076 1 3 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.463 1.167 18412 1077 1 3 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.118 -1.594 18412 1078 1 3 . 1 1 45 45 TRP H H 45 8.001 8.001 7.711 0.290 18412 1079 1 3 . 1 1 46 46 PHE N N 46 116.699 116.699 118.577 -1.878 18412 1080 1 3 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.674 0.212 18412 1081 1 3 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.971 -0.279 18412 1082 1 3 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.161 -0.316 18412 1083 1 3 . 1 1 46 46 PHE H H 46 8.250 8.250 7.753 0.497 18412 1084 1 3 . 1 1 47 47 SER N N 47 113.740 113.740 115.497 -1.757 18412 1085 1 3 . 1 1 47 47 SER HA H 47 4.419 4.419 4.366 0.053 18412 1086 1 3 . 1 1 47 47 SER CA C 47 61.723 61.723 61.608 0.116 18412 1087 1 3 . 1 1 47 47 SER CB C 47 62.769 62.769 62.512 0.257 18412 1088 1 3 . 1 1 47 47 SER H H 47 8.331 8.331 8.790 -0.459 18412 1089 1 3 . 1 1 48 48 PHE N N 48 124.310 124.310 124.149 0.161 18412 1090 1 3 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.230 0.022 18412 1091 1 3 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.047 0.740 18412 1092 1 3 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.845 0.086 18412 1093 1 3 . 1 1 48 48 PHE H H 48 8.175 8.175 8.048 0.127 18412 1094 1 3 . 1 1 49 49 LEU N N 49 120.565 120.565 120.367 0.198 18412 1095 1 3 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.487 0.035 18412 1096 1 3 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.102 0.131 18412 1097 1 3 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.557 -0.032 18412 1098 1 3 . 1 1 49 49 LEU H H 49 8.212 8.212 8.428 -0.216 18412 1099 1 3 . 1 1 50 50 GLU N N 50 120.639 120.639 117.665 2.974 18412 1100 1 3 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.233 0.343 18412 1101 1 3 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.852 0.323 18412 1102 1 3 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.523 1.101 18412 1103 1 3 . 1 1 50 50 GLU H H 50 8.702 8.702 8.668 0.034 18412 1104 1 3 . 1 1 51 51 SER N N 51 116.044 116.044 113.204 2.840 18412 1105 1 3 . 1 1 51 51 SER HA H 51 4.178 4.178 4.300 -0.122 18412 1106 1 3 . 1 1 51 51 SER CA C 51 60.575 60.575 60.517 0.058 18412 1107 1 3 . 1 1 51 51 SER CB C 51 62.881 62.881 63.603 -0.722 18412 1108 1 3 . 1 1 51 51 SER H H 51 8.272 8.272 7.663 0.609 18412 1109 1 3 . 1 1 52 52 HIS N N 52 118.134 118.134 118.223 -0.089 18412 1110 1 3 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.610 -0.206 18412 1111 1 3 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.818 2.599 18412 1112 1 3 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.168 -2.748 18412 1113 1 3 . 1 1 52 52 HIS H H 52 7.217 7.217 7.532 -0.315 18412 1114 1 3 . 1 1 53 53 ASN N N 53 113.597 113.597 118.837 -5.240 18412 1115 1 3 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.739 -0.229 18412 1116 1 3 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.516 1.289 18412 1117 1 3 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.826 -1.063 18412 1118 1 3 . 1 1 53 53 ASN H H 53 7.893 7.893 8.791 -0.898 18412 1119 1 3 . 1 1 54 54 LYS N N 54 113.123 113.123 118.659 -5.536 18412 1120 1 3 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.378 -0.143 18412 1121 1 3 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.998 -1.735 18412 1122 1 3 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.618 -0.073 18412 1123 1 3 . 1 1 54 54 LYS H H 54 8.082 8.082 7.571 0.511 18412 1124 1 3 . 1 1 55 55 LEU N N 55 120.215 120.215 120.561 -0.346 18412 1125 1 3 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.626 0.029 18412 1126 1 3 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.909 0.358 18412 1127 1 3 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.716 2.661 18412 1128 1 3 . 1 1 55 55 LEU H H 55 6.882 6.882 7.557 -0.675 18412 1129 1 3 . 1 1 56 56 ASP N N 56 120.831 120.831 126.922 -6.091 18412 1130 1 3 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.700 -0.308 18412 1131 1 3 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.592 0.074 18412 1132 1 3 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.620 -0.305 18412 1133 1 3 . 1 1 56 56 ASP H H 56 8.078 8.078 8.520 -0.442 18412 1134 1 3 . 1 1 57 57 LYS N N 57 115.203 115.203 118.335 -3.132 18412 1135 1 3 . 1 1 57 57 LYS HA H 57 3.365 3.365 3.978 -0.613 18412 1136 1 3 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.866 -0.214 18412 1137 1 3 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.202 -0.884 18412 1138 1 3 . 1 1 57 57 LYS H H 57 7.958 7.958 8.554 -0.596 18412 1139 1 3 . 1 1 58 58 ASP N N 58 118.074 118.074 112.741 5.333 18412 1140 1 3 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.314 0.643 18412 1141 1 3 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.709 -0.426 18412 1142 1 3 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.638 2.421 18412 1143 1 3 . 1 1 58 58 ASP H H 58 8.336 8.336 8.174 0.162 18412 1144 1 3 . 1 1 59 59 ASN N N 59 119.835 119.835 119.033 0.802 18412 1145 1 3 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.826 0.134 18412 1146 1 3 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.603 -0.875 18412 1147 1 3 . 1 1 59 59 ASN CB C 59 38.877 38.877 39.466 -0.589 18412 1148 1 3 . 1 1 59 59 ASN H H 59 7.850 7.850 8.208 -0.358 18412 1149 1 3 . 1 1 60 60 LEU N N 60 125.541 125.541 120.489 5.052 18412 1150 1 3 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.997 -0.437 18412 1151 1 3 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.256 -2.008 18412 1152 1 3 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.963 -0.773 18412 1153 1 3 . 1 1 60 60 LEU H H 60 8.995 8.995 8.383 0.612 18412 1154 1 3 . 1 1 61 61 SER N N 61 114.344 114.344 117.073 -2.729 18412 1155 1 3 . 1 1 61 61 SER HA H 61 4.159 4.159 4.341 -0.182 18412 1156 1 3 . 1 1 61 61 SER CA C 61 62.002 62.002 61.607 0.395 18412 1157 1 3 . 1 1 61 61 SER CB C 61 62.987 62.987 62.802 0.185 18412 1158 1 3 . 1 1 61 61 SER H H 61 7.880 7.880 8.372 -0.492 18412 1159 1 3 . 1 1 62 62 TYR N N 62 125.087 125.087 121.481 3.606 18412 1160 1 3 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.292 0.007 18412 1161 1 3 . 1 1 62 62 TYR CA C 62 62.205 62.205 60.109 2.096 18412 1162 1 3 . 1 1 62 62 TYR CB C 62 38.925 38.925 37.991 0.934 18412 1163 1 3 . 1 1 62 62 TYR H H 62 8.765 8.765 8.379 0.386 18412 1164 1 3 . 1 1 63 63 ILE N N 63 111.338 111.338 116.559 -5.221 18412 1165 1 3 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.391 0.251 18412 1166 1 3 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.104 1.014 18412 1167 1 3 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.859 -0.476 18412 1168 1 3 . 1 1 63 63 ILE H H 63 7.631 7.631 7.647 -0.016 18412 1169 1 3 . 1 1 64 64 GLU N N 64 121.049 121.049 122.107 -1.058 18412 1170 1 3 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.074 -0.349 18412 1171 1 3 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.171 0.724 18412 1172 1 3 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.649 0.589 18412 1173 1 3 . 1 1 64 64 GLU H H 64 7.987 7.987 8.463 -0.476 18412 1174 1 3 . 1 1 65 65 HIS N N 65 117.657 117.657 119.370 -1.713 18412 1175 1 3 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.325 0.113 18412 1176 1 3 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.662 -0.640 18412 1177 1 3 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.752 -1.165 18412 1178 1 3 . 1 1 65 65 HIS H H 65 7.513 7.513 8.251 -0.738 18412 1179 1 3 . 1 1 66 66 ILE N N 66 118.281 118.281 119.065 -0.784 18412 1180 1 3 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.501 -0.074 18412 1181 1 3 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.660 -1.921 18412 1182 1 3 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.187 -1.101 18412 1183 1 3 . 1 1 66 66 ILE H H 66 7.924 7.924 7.748 0.176 18412 1184 1 3 . 1 1 67 67 PHE N N 67 121.084 121.084 116.687 4.397 18412 1185 1 3 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.126 0.340 18412 1186 1 3 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.154 -3.472 18412 1187 1 3 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.598 -0.920 18412 1188 1 3 . 1 1 67 67 PHE H H 67 8.737 8.737 7.935 0.802 18412 1189 1 3 . 1 1 68 68 GLU N N 68 120.739 120.739 119.615 1.124 18412 1190 1 3 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.101 -0.015 18412 1191 1 3 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.766 1.334 18412 1192 1 3 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.580 0.155 18412 1193 1 3 . 1 1 68 68 GLU H H 68 8.228 8.228 7.529 0.699 18412 1194 1 3 . 1 1 69 69 ILE N N 69 117.535 117.535 114.086 3.449 18412 1195 1 3 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.940 0.100 18412 1196 1 3 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.042 1.189 18412 1197 1 3 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.936 -0.309 18412 1198 1 3 . 1 1 69 69 ILE H H 69 8.393 8.393 7.781 0.612 18412 1199 1 3 . 1 1 70 70 SER N N 70 115.058 115.058 116.342 -1.284 18412 1200 1 3 . 1 1 70 70 SER HA H 70 4.419 4.419 4.348 0.071 18412 1201 1 3 . 1 1 70 70 SER CA C 70 58.502 58.502 57.467 1.035 18412 1202 1 3 . 1 1 70 70 SER CB C 70 63.029 63.029 64.087 -1.058 18412 1203 1 3 . 1 1 70 70 SER H H 70 7.857 7.857 7.841 0.016 18412 1204 1 3 . 1 1 71 71 ARG N N 71 115.621 115.621 126.133 -10.512 18412 1205 1 3 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.275 -0.373 18412 1206 1 3 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.269 0.183 18412 1207 1 3 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.768 -1.418 18412 1208 1 3 . 1 1 71 71 ARG H H 71 7.753 7.753 8.694 -0.941 18412 1209 1 3 . 1 1 72 72 ARG N N 72 115.226 115.226 120.052 -4.826 18412 1210 1 3 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.888 0.186 18412 1211 1 3 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.397 -3.784 18412 1212 1 3 . 1 1 72 72 ARG CB C 72 28.562 28.562 31.061 -2.499 18412 1213 1 3 . 1 1 72 72 ARG H H 72 8.006 8.006 8.473 -0.467 18412 1214 1 3 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.465 -0.128 18412 1215 1 3 . 1 1 73 73 PRO CA C 73 64.698 64.698 65.012 -0.314 18412 1216 1 3 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.862 -0.533 18412 1217 1 3 . 1 1 74 74 ASP N N 74 118.600 118.600 117.952 0.648 18412 1218 1 3 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.435 -0.255 18412 1219 1 3 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.333 -1.343 18412 1220 1 3 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.909 -1.874 18412 1221 1 3 . 1 1 74 74 ASP H H 74 9.152 9.152 8.701 0.451 18412 1222 1 3 . 1 1 75 75 LEU N N 75 120.762 120.762 120.079 0.683 18412 1223 1 3 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.945 -0.038 18412 1224 1 3 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.236 -0.875 18412 1225 1 3 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.343 -2.704 18412 1226 1 3 . 1 1 75 75 LEU H H 75 7.044 7.044 7.456 -0.412 18412 1227 1 3 . 1 1 76 76 LEU N N 76 118.917 118.917 120.646 -1.729 18412 1228 1 3 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.999 0.119 18412 1229 1 3 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.852 0.001 18412 1230 1 3 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.414 1.192 18412 1231 1 3 . 1 1 76 76 LEU H H 76 7.850 7.850 7.767 0.083 18412 1232 1 3 . 1 1 77 77 THR N N 77 114.574 114.574 115.793 -1.219 18412 1233 1 3 . 1 1 77 77 THR HA H 77 3.830 3.830 3.912 -0.082 18412 1234 1 3 . 1 1 77 77 THR CA C 77 66.882 66.882 66.925 -0.043 18412 1235 1 3 . 1 1 77 77 THR CB C 77 68.991 68.991 68.331 0.660 18412 1236 1 3 . 1 1 77 77 THR H H 77 8.287 8.287 8.333 -0.046 18412 1237 1 3 . 1 1 78 78 MET N N 78 118.873 118.873 118.344 0.529 18412 1238 1 3 . 1 1 78 78 MET HA H 78 4.155 4.155 4.141 0.014 18412 1239 1 3 . 1 1 78 78 MET CA C 78 59.838 59.838 57.545 2.292 18412 1240 1 3 . 1 1 78 78 MET CB C 78 32.697 32.697 31.025 1.672 18412 1241 1 3 . 1 1 78 78 MET H H 78 7.032 7.032 7.699 -0.667 18412 1242 1 3 . 1 1 79 79 VAL N N 79 120.046 120.046 119.693 0.353 18412 1243 1 3 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.761 -0.040 18412 1244 1 3 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.432 0.549 18412 1245 1 3 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.283 0.749 18412 1246 1 3 . 1 1 79 79 VAL H H 79 7.633 7.633 7.544 0.089 18412 1247 1 3 . 1 1 80 80 VAL N N 80 121.510 121.510 121.605 -0.095 18412 1248 1 3 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.756 -0.215 18412 1249 1 3 . 1 1 80 80 VAL CA C 80 67.105 67.105 66.475 0.630 18412 1250 1 3 . 1 1 80 80 VAL CB C 80 31.847 31.847 30.675 1.172 18412 1251 1 3 . 1 1 80 80 VAL H H 80 8.601 8.601 8.807 -0.206 18412 1252 1 3 . 1 1 81 81 ASP N N 81 121.760 121.760 120.160 1.600 18412 1253 1 3 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.324 0.029 18412 1254 1 3 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.727 -0.051 18412 1255 1 3 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.611 -0.040 18412 1256 1 3 . 1 1 81 81 ASP H H 81 8.677 8.677 8.631 0.046 18412 1257 1 3 . 1 1 82 82 TYR N N 82 121.025 121.025 121.416 -0.391 18412 1258 1 3 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.048 0.139 18412 1259 1 3 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.486 0.017 18412 1260 1 3 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.469 0.154 18412 1261 1 3 . 1 1 82 82 TYR H H 82 7.608 7.608 8.064 -0.456 18412 1262 1 3 . 1 1 83 83 ARG N N 83 119.379 119.379 118.774 0.605 18412 1263 1 3 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.765 -0.094 18412 1264 1 3 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.326 0.551 18412 1265 1 3 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.784 0.594 18412 1266 1 3 . 1 1 83 83 ARG H H 83 8.596 8.596 8.296 0.300 18412 1267 1 3 . 1 1 84 84 THR N N 84 113.330 113.330 116.038 -2.708 18412 1268 1 3 . 1 1 84 84 THR HA H 84 3.946 3.946 4.005 -0.059 18412 1269 1 3 . 1 1 84 84 THR CA C 84 65.316 65.316 66.862 -1.546 18412 1270 1 3 . 1 1 84 84 THR CB C 84 69.273 69.273 68.711 0.562 18412 1271 1 3 . 1 1 84 84 THR H H 84 8.305 8.305 8.190 0.115 18412 1272 1 3 . 1 1 85 85 ARG N N 85 121.457 121.457 121.756 -0.299 18412 1273 1 3 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.002 0.055 18412 1274 1 3 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.477 -0.572 18412 1275 1 3 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.292 1.513 18412 1276 1 3 . 1 1 85 85 ARG H H 85 7.949 7.949 8.320 -0.371 18412 1277 1 3 . 1 1 86 86 VAL N N 86 117.232 117.232 120.533 -3.301 18412 1278 1 3 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.685 0.112 18412 1279 1 3 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.249 -1.984 18412 1280 1 3 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.503 0.204 18412 1281 1 3 . 1 1 86 86 VAL H H 86 7.962 7.962 8.021 -0.059 18412 1282 1 3 . 1 1 87 87 LEU N N 87 120.870 120.870 122.295 -1.425 18412 1283 1 3 . 1 1 87 87 LEU HA H 87 4.158 4.158 4.026 0.132 18412 1284 1 3 . 1 1 87 87 LEU CA C 87 56.056 56.056 57.728 -1.672 18412 1285 1 3 . 1 1 87 87 LEU CB C 87 41.733 41.733 40.978 0.755 18412 1286 1 3 . 1 1 87 87 LEU H H 87 7.463 7.463 7.412 0.051 18412 1287 1 3 . 1 1 88 88 LYS N N 88 118.925 118.925 119.177 -0.252 18412 1288 1 3 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.133 0.035 18412 1289 1 3 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.246 -1.557 18412 1290 1 3 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.734 -0.612 18412 1291 1 3 . 1 1 88 88 LYS H H 88 7.602 7.602 7.947 -0.345 18412 1292 1 3 . 1 1 89 89 ILE N N 89 120.845 120.845 119.656 1.189 18412 1293 1 3 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.916 0.133 18412 1294 1 3 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.999 -1.132 18412 1295 1 3 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.553 0.107 18412 1296 1 3 . 1 1 89 89 ILE H H 89 7.882 7.882 7.784 0.098 18412 1297 1 4 . 1 1 2 2 ALA N N 2 124.384 124.384 124.644 -0.260 18412 1298 1 4 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.182 0.017 18412 1299 1 4 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.023 -0.371 18412 1300 1 4 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.875 0.510 18412 1301 1 4 . 1 1 2 2 ALA H H 2 8.326 8.326 8.471 -0.145 18412 1302 1 4 . 1 1 3 3 GLU N N 3 118.800 118.800 118.079 0.721 18412 1303 1 4 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.055 0.143 18412 1304 1 4 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.341 0.063 18412 1305 1 4 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.298 0.258 18412 1306 1 4 . 1 1 3 3 GLU H H 3 8.411 8.411 9.095 -0.684 18412 1307 1 4 . 1 1 4 4 TYR N N 4 123.838 123.838 120.961 2.877 18412 1308 1 4 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.428 0.576 18412 1309 1 4 . 1 1 4 4 TYR CA C 4 60.632 60.632 59.983 0.649 18412 1310 1 4 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.659 0.743 18412 1311 1 4 . 1 1 4 4 TYR H H 4 8.448 8.448 8.381 0.067 18412 1312 1 4 . 1 1 5 5 GLY N N 5 105.816 105.816 106.010 -0.194 18412 1313 1 4 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.340 -0.199 18412 1314 1 4 . 1 1 5 5 GLY H H 5 8.250 8.250 8.398 -0.148 18412 1315 1 4 . 1 1 6 6 THR N N 6 119.523 119.523 119.462 0.061 18412 1316 1 4 . 1 1 6 6 THR HA H 6 3.802 3.802 4.023 -0.221 18412 1317 1 4 . 1 1 6 6 THR CA C 6 66.449 66.449 65.612 0.837 18412 1318 1 4 . 1 1 6 6 THR CB C 6 68.391 68.391 68.919 -0.528 18412 1319 1 4 . 1 1 6 6 THR H H 6 7.868 7.868 7.746 0.122 18412 1320 1 4 . 1 1 7 7 LEU N N 7 123.502 123.502 123.210 0.292 18412 1321 1 4 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.792 0.447 18412 1322 1 4 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.141 0.084 18412 1323 1 4 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.963 -1.210 18412 1324 1 4 . 1 1 7 7 LEU H H 7 7.594 7.594 8.352 -0.758 18412 1325 1 4 . 1 1 8 8 LEU N N 8 115.222 115.222 117.540 -2.318 18412 1326 1 4 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.330 -0.057 18412 1327 1 4 . 1 1 8 8 LEU CA C 8 58.134 58.134 57.880 0.254 18412 1328 1 4 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.765 0.371 18412 1329 1 4 . 1 1 8 8 LEU H H 8 7.654 7.654 7.853 -0.199 18412 1330 1 4 . 1 1 9 9 GLN N N 9 120.743 120.743 119.477 1.266 18412 1331 1 4 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.935 -0.056 18412 1332 1 4 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.108 -0.332 18412 1333 1 4 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.151 0.777 18412 1334 1 4 . 1 1 9 9 GLN H H 9 7.688 7.688 7.559 0.129 18412 1335 1 4 . 1 1 10 10 ASP N N 10 122.554 122.554 120.390 2.164 18412 1336 1 4 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.353 -0.020 18412 1337 1 4 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.577 0.100 18412 1338 1 4 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.594 -0.657 18412 1339 1 4 . 1 1 10 10 ASP H H 10 8.656 8.656 8.214 0.442 18412 1340 1 4 . 1 1 11 11 LEU N N 11 119.408 119.408 116.631 2.777 18412 1341 1 4 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.303 -0.417 18412 1342 1 4 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.575 0.909 18412 1343 1 4 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.003 2.250 18412 1344 1 4 . 1 1 11 11 LEU H H 11 8.805 8.805 7.516 1.289 18412 1345 1 4 . 1 1 12 12 THR N N 12 113.945 113.945 116.308 -2.363 18412 1346 1 4 . 1 1 12 12 THR HA H 12 3.875 3.875 4.052 -0.177 18412 1347 1 4 . 1 1 12 12 THR CA C 12 67.829 67.829 66.971 0.858 18412 1348 1 4 . 1 1 12 12 THR CB C 12 68.521 68.521 68.327 0.194 18412 1349 1 4 . 1 1 12 12 THR H H 12 8.305 8.305 7.986 0.319 18412 1350 1 4 . 1 1 13 13 ASN N N 13 119.138 119.138 118.558 0.580 18412 1351 1 4 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.551 0.039 18412 1352 1 4 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.747 -1.097 18412 1353 1 4 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.192 0.071 18412 1354 1 4 . 1 1 13 13 ASN H H 13 8.180 8.180 8.321 -0.141 18412 1355 1 4 . 1 1 14 14 ASN N N 14 117.905 117.905 115.815 2.090 18412 1356 1 4 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.724 0.102 18412 1357 1 4 . 1 1 14 14 ASN CA C 14 53.358 53.358 52.851 0.507 18412 1358 1 4 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.258 2.200 18412 1359 1 4 . 1 1 14 14 ASN H H 14 7.778 7.778 7.626 0.152 18412 1360 1 4 . 1 1 15 15 ILE N N 15 120.690 120.690 121.995 -1.305 18412 1361 1 4 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.109 0.602 18412 1362 1 4 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.278 0.599 18412 1363 1 4 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.825 4.519 18412 1364 1 4 . 1 1 15 15 ILE H H 15 7.234 7.234 7.366 -0.132 18412 1365 1 4 . 1 1 16 16 THR N N 16 120.066 120.066 119.112 0.954 18412 1366 1 4 . 1 1 16 16 THR HA H 16 4.536 4.536 4.564 -0.028 18412 1367 1 4 . 1 1 16 16 THR CA C 16 60.804 60.804 60.340 0.465 18412 1368 1 4 . 1 1 16 16 THR CB C 16 71.263 71.263 71.258 0.005 18412 1369 1 4 . 1 1 16 16 THR H H 16 9.188 9.188 7.844 1.344 18412 1370 1 4 . 1 1 17 17 LEU N N 17 121.043 121.043 122.578 -1.535 18412 1371 1 4 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.854 0.142 18412 1372 1 4 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.787 -0.094 18412 1373 1 4 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.524 -0.197 18412 1374 1 4 . 1 1 17 17 LEU H H 17 8.662 8.662 8.894 -0.232 18412 1375 1 4 . 1 1 18 18 GLU N N 18 118.968 118.968 119.207 -0.239 18412 1376 1 4 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.981 -0.034 18412 1377 1 4 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.685 0.301 18412 1378 1 4 . 1 1 18 18 GLU CB C 18 29.148 29.148 28.808 0.340 18412 1379 1 4 . 1 1 18 18 GLU H H 18 8.374 8.374 8.593 -0.219 18412 1380 1 4 . 1 1 19 19 ASP N N 19 121.542 121.542 120.929 0.613 18412 1381 1 4 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.334 -0.191 18412 1382 1 4 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.516 -0.925 18412 1383 1 4 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.687 0.625 18412 1384 1 4 . 1 1 19 19 ASP H H 19 7.857 7.857 8.333 -0.476 18412 1385 1 4 . 1 1 20 20 LEU N N 20 120.904 120.904 120.243 0.661 18412 1386 1 4 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.648 -0.231 18412 1387 1 4 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.277 -1.363 18412 1388 1 4 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.602 -0.500 18412 1389 1 4 . 1 1 20 20 LEU H H 20 8.412 8.412 8.483 -0.071 18412 1390 1 4 . 1 1 21 21 GLU N N 21 117.187 117.187 118.236 -1.049 18412 1391 1 4 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.751 0.047 18412 1392 1 4 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.599 -0.328 18412 1393 1 4 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.061 -0.144 18412 1394 1 4 . 1 1 21 21 GLU H H 21 7.462 7.462 8.254 -0.792 18412 1395 1 4 . 1 1 22 22 GLN N N 22 118.617 118.617 120.599 -1.982 18412 1396 1 4 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.035 -0.016 18412 1397 1 4 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.852 -0.265 18412 1398 1 4 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.602 -0.367 18412 1399 1 4 . 1 1 22 22 GLN H H 22 7.135 7.135 7.839 -0.704 18412 1400 1 4 . 1 1 23 23 LEU N N 23 121.325 121.325 120.278 1.047 18412 1401 1 4 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.855 -0.150 18412 1402 1 4 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.368 0.417 18412 1403 1 4 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.302 -1.682 18412 1404 1 4 . 1 1 23 23 LEU H H 23 7.833 7.833 7.936 -0.103 18412 1405 1 4 . 1 1 24 24 LYS N N 24 116.045 116.045 118.773 -2.728 18412 1406 1 4 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.622 0.028 18412 1407 1 4 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.648 0.897 18412 1408 1 4 . 1 1 24 24 LYS CB C 24 31.812 31.812 32.004 -0.192 18412 1409 1 4 . 1 1 24 24 LYS H H 24 8.307 8.307 8.387 -0.080 18412 1410 1 4 . 1 1 25 25 SER N N 25 116.071 116.071 115.421 0.650 18412 1411 1 4 . 1 1 25 25 SER HA H 25 4.111 4.111 4.140 -0.029 18412 1412 1 4 . 1 1 25 25 SER CA C 25 61.557 61.557 61.517 0.040 18412 1413 1 4 . 1 1 25 25 SER CB C 25 62.565 62.565 62.638 -0.073 18412 1414 1 4 . 1 1 25 25 SER H H 25 7.781 7.781 7.847 -0.066 18412 1415 1 4 . 1 1 26 26 ALA N N 26 123.448 123.448 124.631 -1.183 18412 1416 1 4 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.133 0.042 18412 1417 1 4 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.853 -0.605 18412 1418 1 4 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.509 0.204 18412 1419 1 4 . 1 1 26 26 ALA H H 26 7.735 7.735 8.014 -0.279 18412 1420 1 4 . 1 1 27 27 CYS N N 27 113.480 113.480 115.910 -2.430 18412 1421 1 4 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.411 0.220 18412 1422 1 4 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.883 -1.502 18412 1423 1 4 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.829 1.805 18412 1424 1 4 . 1 1 27 27 CYS H H 27 7.390 7.390 8.336 -0.946 18412 1425 1 4 . 1 1 28 28 LYS N N 28 118.354 118.354 121.079 -2.725 18412 1426 1 4 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.999 -0.054 18412 1427 1 4 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.340 -0.920 18412 1428 1 4 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.611 -0.064 18412 1429 1 4 . 1 1 28 28 LYS H H 28 7.634 7.634 7.314 0.320 18412 1430 1 4 . 1 1 29 29 GLU N N 29 118.875 118.875 117.733 1.142 18412 1431 1 4 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.241 -0.084 18412 1432 1 4 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.315 -0.074 18412 1433 1 4 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.492 -0.628 18412 1434 1 4 . 1 1 29 29 GLU H H 29 8.552 8.552 8.546 0.006 18412 1435 1 4 . 1 1 30 30 ASP N N 30 117.610 117.610 118.202 -0.592 18412 1436 1 4 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.615 -0.027 18412 1437 1 4 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.637 0.246 18412 1438 1 4 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.689 -0.162 18412 1439 1 4 . 1 1 30 30 ASP H H 30 7.962 7.962 8.228 -0.266 18412 1440 1 4 . 1 1 31 31 ILE N N 31 116.930 116.930 122.176 -5.246 18412 1441 1 4 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.662 -0.295 18412 1442 1 4 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.457 0.576 18412 1443 1 4 . 1 1 31 31 ILE CB C 31 38.769 38.769 40.052 -1.283 18412 1444 1 4 . 1 1 31 31 ILE H H 31 7.317 7.317 8.322 -1.005 18412 1445 1 4 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.623 -0.162 18412 1446 1 4 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.712 0.133 18412 1447 1 4 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.538 -0.024 18412 1448 1 4 . 1 1 33 33 SER N N 33 119.808 119.808 118.755 1.053 18412 1449 1 4 . 1 1 33 33 SER HA H 33 4.141 4.141 3.906 0.235 18412 1450 1 4 . 1 1 33 33 SER CA C 33 61.125 61.125 62.052 -0.927 18412 1451 1 4 . 1 1 33 33 SER CB C 33 63.000 63.000 63.000 -0.000 18412 1452 1 4 . 1 1 33 33 SER H H 33 8.778 8.778 8.872 -0.094 18412 1453 1 4 . 1 1 34 34 GLU N N 34 120.906 120.906 118.874 2.032 18412 1454 1 4 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.063 0.142 18412 1455 1 4 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.540 -0.840 18412 1456 1 4 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.370 -0.658 18412 1457 1 4 . 1 1 34 34 GLU H H 34 9.336 9.336 8.664 0.672 18412 1458 1 4 . 1 1 35 35 LYS N N 35 117.698 117.698 117.480 0.218 18412 1459 1 4 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.980 0.367 18412 1460 1 4 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.520 -2.060 18412 1461 1 4 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.660 0.598 18412 1462 1 4 . 1 1 35 35 LYS H H 35 7.659 7.659 7.741 -0.082 18412 1463 1 4 . 1 1 36 36 SER N N 36 114.472 114.472 115.301 -0.829 18412 1464 1 4 . 1 1 36 36 SER HA H 36 3.652 3.652 4.062 -0.410 18412 1465 1 4 . 1 1 36 36 SER CA C 36 61.450 61.450 61.324 0.126 18412 1466 1 4 . 1 1 36 36 SER CB C 36 62.820 62.820 62.889 -0.069 18412 1467 1 4 . 1 1 36 36 SER H H 36 7.732 7.732 8.447 -0.715 18412 1468 1 4 . 1 1 37 37 GLU N N 37 118.258 118.258 120.799 -2.541 18412 1469 1 4 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.020 -0.050 18412 1470 1 4 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.851 -0.738 18412 1471 1 4 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.236 0.308 18412 1472 1 4 . 1 1 37 37 GLU H H 37 8.187 8.187 7.609 0.578 18412 1473 1 4 . 1 1 38 38 GLU N N 38 115.652 115.652 116.686 -1.034 18412 1474 1 4 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.330 -0.134 18412 1475 1 4 . 1 1 38 38 GLU CA C 38 56.494 56.494 55.896 0.598 18412 1476 1 4 . 1 1 38 38 GLU CB C 38 30.102 30.102 28.876 1.226 18412 1477 1 4 . 1 1 38 38 GLU H H 38 7.472 7.472 7.759 -0.287 18412 1478 1 4 . 1 1 39 39 ILE N N 39 121.367 121.367 122.947 -1.580 18412 1479 1 4 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.120 -0.135 18412 1480 1 4 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.074 -0.155 18412 1481 1 4 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.854 1.550 18412 1482 1 4 . 1 1 39 39 ILE H H 39 7.504 7.504 7.182 0.322 18412 1483 1 4 . 1 1 40 40 THR N N 40 115.102 115.102 116.476 -1.374 18412 1484 1 4 . 1 1 40 40 THR HA H 40 4.459 4.459 4.293 0.166 18412 1485 1 4 . 1 1 40 40 THR CA C 40 61.169 61.169 62.476 -1.307 18412 1486 1 4 . 1 1 40 40 THR CB C 40 69.913 69.913 69.116 0.797 18412 1487 1 4 . 1 1 40 40 THR H H 40 8.173 8.173 7.760 0.413 18412 1488 1 4 . 1 1 41 41 THR N N 41 108.664 108.664 112.962 -4.298 18412 1489 1 4 . 1 1 41 41 THR HA H 41 4.602 4.602 4.526 0.076 18412 1490 1 4 . 1 1 41 41 THR CA C 41 59.116 59.116 60.914 -1.798 18412 1491 1 4 . 1 1 41 41 THR CB C 41 73.442 73.442 70.860 2.582 18412 1492 1 4 . 1 1 41 41 THR H H 41 7.104 7.104 7.199 -0.095 18412 1493 1 4 . 1 1 42 42 GLY N N 42 109.200 109.200 111.969 -2.769 18412 1494 1 4 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.300 0.211 18412 1495 1 4 . 1 1 42 42 GLY H H 42 9.196 9.196 9.024 0.172 18412 1496 1 4 . 1 1 43 43 SER N N 43 114.564 114.564 118.048 -3.484 18412 1497 1 4 . 1 1 43 43 SER HA H 43 4.360 4.360 4.339 0.021 18412 1498 1 4 . 1 1 43 43 SER CA C 43 61.523 61.523 61.953 -0.430 18412 1499 1 4 . 1 1 43 43 SER CB C 43 62.448 62.448 63.095 -0.647 18412 1500 1 4 . 1 1 43 43 SER H H 43 8.208 8.208 8.287 -0.079 18412 1501 1 4 . 1 1 44 44 ALA N N 44 123.757 123.757 124.441 -0.684 18412 1502 1 4 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.223 0.058 18412 1503 1 4 . 1 1 44 44 ALA CA C 44 54.526 54.526 55.234 -0.708 18412 1504 1 4 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.176 1.157 18412 1505 1 4 . 1 1 44 44 ALA H H 44 7.964 7.964 8.371 -0.407 18412 1506 1 4 . 1 1 45 45 TRP N N 45 122.904 122.904 120.600 2.304 18412 1507 1 4 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.405 -0.177 18412 1508 1 4 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.298 1.332 18412 1509 1 4 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.141 -1.617 18412 1510 1 4 . 1 1 45 45 TRP H H 45 8.001 8.001 7.764 0.237 18412 1511 1 4 . 1 1 46 46 PHE N N 46 116.699 116.699 118.337 -1.638 18412 1512 1 4 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.619 0.267 18412 1513 1 4 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.975 -0.283 18412 1514 1 4 . 1 1 46 46 PHE CB C 46 37.845 37.845 37.970 -0.125 18412 1515 1 4 . 1 1 46 46 PHE H H 46 8.250 8.250 8.110 0.140 18412 1516 1 4 . 1 1 47 47 SER N N 47 113.740 113.740 115.575 -1.835 18412 1517 1 4 . 1 1 47 47 SER HA H 47 4.419 4.419 4.377 0.042 18412 1518 1 4 . 1 1 47 47 SER CA C 47 61.723 61.723 61.622 0.101 18412 1519 1 4 . 1 1 47 47 SER CB C 47 62.769 62.769 62.554 0.215 18412 1520 1 4 . 1 1 47 47 SER H H 47 8.331 8.331 8.918 -0.587 18412 1521 1 4 . 1 1 48 48 PHE N N 48 124.310 124.310 124.229 0.081 18412 1522 1 4 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.216 0.036 18412 1523 1 4 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.826 0.961 18412 1524 1 4 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.765 0.166 18412 1525 1 4 . 1 1 48 48 PHE H H 48 8.175 8.175 8.024 0.151 18412 1526 1 4 . 1 1 49 49 LEU N N 49 120.565 120.565 120.257 0.308 18412 1527 1 4 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.366 0.156 18412 1528 1 4 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.035 0.198 18412 1529 1 4 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.524 0.001 18412 1530 1 4 . 1 1 49 49 LEU H H 49 8.212 8.212 8.448 -0.236 18412 1531 1 4 . 1 1 50 50 GLU N N 50 120.639 120.639 118.762 1.877 18412 1532 1 4 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.339 0.237 18412 1533 1 4 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.995 0.181 18412 1534 1 4 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.374 1.250 18412 1535 1 4 . 1 1 50 50 GLU H H 50 8.702 8.702 8.772 -0.070 18412 1536 1 4 . 1 1 51 51 SER N N 51 116.044 116.044 113.234 2.810 18412 1537 1 4 . 1 1 51 51 SER HA H 51 4.178 4.178 4.332 -0.154 18412 1538 1 4 . 1 1 51 51 SER CA C 51 60.575 60.575 60.470 0.105 18412 1539 1 4 . 1 1 51 51 SER CB C 51 62.881 62.881 63.680 -0.799 18412 1540 1 4 . 1 1 51 51 SER H H 51 8.272 8.272 7.668 0.604 18412 1541 1 4 . 1 1 52 52 HIS N N 52 118.134 118.134 117.682 0.452 18412 1542 1 4 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.646 -0.242 18412 1543 1 4 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.696 2.721 18412 1544 1 4 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.487 -3.067 18412 1545 1 4 . 1 1 52 52 HIS H H 52 7.217 7.217 7.525 -0.308 18412 1546 1 4 . 1 1 53 53 ASN N N 53 113.597 113.597 117.971 -4.374 18412 1547 1 4 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.721 -0.211 18412 1548 1 4 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.199 1.606 18412 1549 1 4 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.290 -0.527 18412 1550 1 4 . 1 1 53 53 ASN H H 53 7.893 7.893 8.834 -0.941 18412 1551 1 4 . 1 1 54 54 LYS N N 54 113.123 113.123 118.484 -5.361 18412 1552 1 4 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.368 -0.133 18412 1553 1 4 . 1 1 54 54 LYS CA C 54 54.263 54.263 56.050 -1.787 18412 1554 1 4 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.426 0.119 18412 1555 1 4 . 1 1 54 54 LYS H H 54 8.082 8.082 7.694 0.388 18412 1556 1 4 . 1 1 55 55 LEU N N 55 120.215 120.215 119.963 0.252 18412 1557 1 4 . 1 1 55 55 LEU HA H 55 4.655 4.655 5.004 -0.349 18412 1558 1 4 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.101 0.166 18412 1559 1 4 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.008 3.369 18412 1560 1 4 . 1 1 55 55 LEU H H 55 6.882 6.882 7.281 -0.399 18412 1561 1 4 . 1 1 56 56 ASP N N 56 120.831 120.831 125.165 -4.334 18412 1562 1 4 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.714 -0.322 18412 1563 1 4 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.711 -1.045 18412 1564 1 4 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.886 -0.572 18412 1565 1 4 . 1 1 56 56 ASP H H 56 8.078 8.078 8.742 -0.664 18412 1566 1 4 . 1 1 57 57 LYS N N 57 115.203 115.203 117.739 -2.536 18412 1567 1 4 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.172 -0.807 18412 1568 1 4 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.658 -0.007 18412 1569 1 4 . 1 1 57 57 LYS CB C 57 31.318 31.318 31.954 -0.636 18412 1570 1 4 . 1 1 57 57 LYS H H 57 7.958 7.958 8.625 -0.667 18412 1571 1 4 . 1 1 58 58 ASP N N 58 118.074 118.074 112.802 5.272 18412 1572 1 4 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.263 0.694 18412 1573 1 4 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.589 -0.306 18412 1574 1 4 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.402 2.657 18412 1575 1 4 . 1 1 58 58 ASP H H 58 8.336 8.336 8.204 0.132 18412 1576 1 4 . 1 1 59 59 ASN N N 59 119.835 119.835 117.266 2.569 18412 1577 1 4 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.662 0.298 18412 1578 1 4 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.071 -0.342 18412 1579 1 4 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.704 0.173 18412 1580 1 4 . 1 1 59 59 ASN H H 59 7.850 7.850 8.022 -0.172 18412 1581 1 4 . 1 1 60 60 LEU N N 60 125.541 125.541 120.029 5.512 18412 1582 1 4 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.984 -0.424 18412 1583 1 4 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.396 -2.148 18412 1584 1 4 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.443 -0.253 18412 1585 1 4 . 1 1 60 60 LEU H H 60 8.995 8.995 8.296 0.699 18412 1586 1 4 . 1 1 61 61 SER N N 61 114.344 114.344 117.539 -3.195 18412 1587 1 4 . 1 1 61 61 SER HA H 61 4.159 4.159 4.179 -0.020 18412 1588 1 4 . 1 1 61 61 SER CA C 61 62.002 62.002 62.283 -0.282 18412 1589 1 4 . 1 1 61 61 SER CB C 61 62.987 62.987 62.581 0.405 18412 1590 1 4 . 1 1 61 61 SER H H 61 7.880 7.880 8.480 -0.600 18412 1591 1 4 . 1 1 62 62 TYR N N 62 125.087 125.087 122.011 3.076 18412 1592 1 4 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.312 -0.013 18412 1593 1 4 . 1 1 62 62 TYR CA C 62 62.205 62.205 60.219 1.986 18412 1594 1 4 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.066 0.859 18412 1595 1 4 . 1 1 62 62 TYR H H 62 8.765 8.765 8.352 0.413 18412 1596 1 4 . 1 1 63 63 ILE N N 63 111.338 111.338 116.428 -5.090 18412 1597 1 4 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.395 0.247 18412 1598 1 4 . 1 1 63 63 ILE CA C 63 65.118 65.118 63.926 1.192 18412 1599 1 4 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.892 -0.509 18412 1600 1 4 . 1 1 63 63 ILE H H 63 7.631 7.631 7.566 0.065 18412 1601 1 4 . 1 1 64 64 GLU N N 64 121.049 121.049 122.195 -1.146 18412 1602 1 4 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.078 -0.353 18412 1603 1 4 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.186 0.709 18412 1604 1 4 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.638 0.600 18412 1605 1 4 . 1 1 64 64 GLU H H 64 7.987 7.987 8.473 -0.486 18412 1606 1 4 . 1 1 65 65 HIS N N 65 117.657 117.657 119.298 -1.641 18412 1607 1 4 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.331 0.107 18412 1608 1 4 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.486 -0.464 18412 1609 1 4 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.677 -1.089 18412 1610 1 4 . 1 1 65 65 HIS H H 65 7.513 7.513 8.022 -0.509 18412 1611 1 4 . 1 1 66 66 ILE N N 66 118.281 118.281 119.162 -0.881 18412 1612 1 4 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.472 -0.045 18412 1613 1 4 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.640 -1.902 18412 1614 1 4 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.074 -0.988 18412 1615 1 4 . 1 1 66 66 ILE H H 66 7.924 7.924 7.652 0.272 18412 1616 1 4 . 1 1 67 67 PHE N N 67 121.084 121.084 117.197 3.887 18412 1617 1 4 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.161 0.305 18412 1618 1 4 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.105 -3.422 18412 1619 1 4 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.570 -0.892 18412 1620 1 4 . 1 1 67 67 PHE H H 67 8.737 8.737 7.911 0.826 18412 1621 1 4 . 1 1 68 68 GLU N N 68 120.739 120.739 119.894 0.845 18412 1622 1 4 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.092 -0.006 18412 1623 1 4 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.005 1.095 18412 1624 1 4 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.507 0.228 18412 1625 1 4 . 1 1 68 68 GLU H H 68 8.228 8.228 7.447 0.781 18412 1626 1 4 . 1 1 69 69 ILE N N 69 117.535 117.535 114.150 3.385 18412 1627 1 4 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.914 0.126 18412 1628 1 4 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.081 1.150 18412 1629 1 4 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.940 -0.313 18412 1630 1 4 . 1 1 69 69 ILE H H 69 8.393 8.393 7.887 0.506 18412 1631 1 4 . 1 1 70 70 SER N N 70 115.058 115.058 116.560 -1.502 18412 1632 1 4 . 1 1 70 70 SER HA H 70 4.419 4.419 4.370 0.049 18412 1633 1 4 . 1 1 70 70 SER CA C 70 58.502 58.502 58.174 0.328 18412 1634 1 4 . 1 1 70 70 SER CB C 70 63.029 63.029 64.147 -1.118 18412 1635 1 4 . 1 1 70 70 SER H H 70 7.857 7.857 7.848 0.009 18412 1636 1 4 . 1 1 71 71 ARG N N 71 115.621 115.621 125.307 -9.686 18412 1637 1 4 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.246 -0.344 18412 1638 1 4 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.164 0.288 18412 1639 1 4 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.809 -1.459 18412 1640 1 4 . 1 1 71 71 ARG H H 71 7.753 7.753 8.797 -1.044 18412 1641 1 4 . 1 1 72 72 ARG N N 72 115.226 115.226 119.277 -4.051 18412 1642 1 4 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.942 0.132 18412 1643 1 4 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.914 -4.301 18412 1644 1 4 . 1 1 72 72 ARG CB C 72 28.562 28.562 31.113 -2.551 18412 1645 1 4 . 1 1 72 72 ARG H H 72 8.006 8.006 8.479 -0.473 18412 1646 1 4 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.455 -0.118 18412 1647 1 4 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.697 0.001 18412 1648 1 4 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.791 -0.462 18412 1649 1 4 . 1 1 74 74 ASP N N 74 118.600 118.600 119.393 -0.793 18412 1650 1 4 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.399 -0.219 18412 1651 1 4 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.710 -1.720 18412 1652 1 4 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.005 -1.970 18412 1653 1 4 . 1 1 74 74 ASP H H 74 9.152 9.152 8.570 0.582 18412 1654 1 4 . 1 1 75 75 LEU N N 75 120.762 120.762 120.219 0.543 18412 1655 1 4 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.987 -0.080 18412 1656 1 4 . 1 1 75 75 LEU CA C 75 56.362 56.362 56.923 -0.561 18412 1657 1 4 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.262 -2.623 18412 1658 1 4 . 1 1 75 75 LEU H H 75 7.044 7.044 7.535 -0.491 18412 1659 1 4 . 1 1 76 76 LEU N N 76 118.917 118.917 120.605 -1.688 18412 1660 1 4 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.020 0.098 18412 1661 1 4 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.758 0.096 18412 1662 1 4 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.501 1.105 18412 1663 1 4 . 1 1 76 76 LEU H H 76 7.850 7.850 7.700 0.150 18412 1664 1 4 . 1 1 77 77 THR N N 77 114.574 114.574 115.499 -0.925 18412 1665 1 4 . 1 1 77 77 THR HA H 77 3.830 3.830 3.861 -0.031 18412 1666 1 4 . 1 1 77 77 THR CA C 77 66.882 66.882 67.088 -0.206 18412 1667 1 4 . 1 1 77 77 THR CB C 77 68.991 68.991 68.482 0.509 18412 1668 1 4 . 1 1 77 77 THR H H 77 8.287 8.287 8.098 0.189 18412 1669 1 4 . 1 1 78 78 MET N N 78 118.873 118.873 119.067 -0.194 18412 1670 1 4 . 1 1 78 78 MET HA H 78 4.155 4.155 4.118 0.037 18412 1671 1 4 . 1 1 78 78 MET CA C 78 59.838 59.838 59.353 0.485 18412 1672 1 4 . 1 1 78 78 MET CB C 78 32.697 32.697 32.224 0.473 18412 1673 1 4 . 1 1 78 78 MET H H 78 7.032 7.032 7.568 -0.536 18412 1674 1 4 . 1 1 79 79 VAL N N 79 120.046 120.046 119.893 0.153 18412 1675 1 4 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.770 -0.049 18412 1676 1 4 . 1 1 79 79 VAL CA C 79 66.981 66.981 67.006 -0.025 18412 1677 1 4 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.359 0.673 18412 1678 1 4 . 1 1 79 79 VAL H H 79 7.633 7.633 7.542 0.091 18412 1679 1 4 . 1 1 80 80 VAL N N 80 121.510 121.510 121.042 0.468 18412 1680 1 4 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.727 -0.186 18412 1681 1 4 . 1 1 80 80 VAL CA C 80 67.105 67.105 66.444 0.661 18412 1682 1 4 . 1 1 80 80 VAL CB C 80 31.847 31.847 30.664 1.183 18412 1683 1 4 . 1 1 80 80 VAL H H 80 8.601 8.601 8.635 -0.034 18412 1684 1 4 . 1 1 81 81 ASP N N 81 121.760 121.760 120.098 1.662 18412 1685 1 4 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.308 0.045 18412 1686 1 4 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.634 0.042 18412 1687 1 4 . 1 1 81 81 ASP CB C 81 40.571 40.571 41.005 -0.435 18412 1688 1 4 . 1 1 81 81 ASP H H 81 8.677 8.677 8.528 0.149 18412 1689 1 4 . 1 1 82 82 TYR N N 82 121.025 121.025 121.244 -0.219 18412 1690 1 4 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.084 0.103 18412 1691 1 4 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.371 0.132 18412 1692 1 4 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.450 0.173 18412 1693 1 4 . 1 1 82 82 TYR H H 82 7.608 7.608 8.033 -0.425 18412 1694 1 4 . 1 1 83 83 ARG N N 83 119.379 119.379 118.462 0.917 18412 1695 1 4 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.749 -0.078 18412 1696 1 4 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.189 0.688 18412 1697 1 4 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.591 0.787 18412 1698 1 4 . 1 1 83 83 ARG H H 83 8.596 8.596 8.160 0.436 18412 1699 1 4 . 1 1 84 84 THR N N 84 113.330 113.330 116.226 -2.896 18412 1700 1 4 . 1 1 84 84 THR HA H 84 3.946 3.946 4.045 -0.099 18412 1701 1 4 . 1 1 84 84 THR CA C 84 65.316 65.316 67.064 -1.748 18412 1702 1 4 . 1 1 84 84 THR CB C 84 69.273 69.273 68.603 0.670 18412 1703 1 4 . 1 1 84 84 THR H H 84 8.305 8.305 7.865 0.440 18412 1704 1 4 . 1 1 85 85 ARG N N 85 121.457 121.457 122.326 -0.869 18412 1705 1 4 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.126 -0.069 18412 1706 1 4 . 1 1 85 85 ARG CA C 85 58.905 58.905 58.976 -0.071 18412 1707 1 4 . 1 1 85 85 ARG CB C 85 30.805 30.805 28.950 1.855 18412 1708 1 4 . 1 1 85 85 ARG H H 85 7.949 7.949 8.453 -0.504 18412 1709 1 4 . 1 1 86 86 VAL N N 86 117.232 117.232 119.937 -2.705 18412 1710 1 4 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.758 0.039 18412 1711 1 4 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.126 -1.862 18412 1712 1 4 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.387 0.320 18412 1713 1 4 . 1 1 86 86 VAL H H 86 7.962 7.962 7.814 0.148 18412 1714 1 4 . 1 1 87 87 LEU N N 87 120.870 120.870 122.138 -1.268 18412 1715 1 4 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.993 0.165 18412 1716 1 4 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.197 -2.141 18412 1717 1 4 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.132 0.601 18412 1718 1 4 . 1 1 87 87 LEU H H 87 7.463 7.463 7.383 0.080 18412 1719 1 4 . 1 1 88 88 LYS N N 88 118.925 118.925 118.258 0.667 18412 1720 1 4 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.183 -0.015 18412 1721 1 4 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.031 -1.342 18412 1722 1 4 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.639 -0.517 18412 1723 1 4 . 1 1 88 88 LYS H H 88 7.602 7.602 8.010 -0.408 18412 1724 1 4 . 1 1 89 89 ILE N N 89 120.845 120.845 119.663 1.182 18412 1725 1 4 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.902 0.147 18412 1726 1 4 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.857 -0.990 18412 1727 1 4 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.531 0.129 18412 1728 1 4 . 1 1 89 89 ILE H H 89 7.882 7.882 7.621 0.261 18412 1729 1 5 . 1 1 2 2 ALA N N 2 124.384 124.384 124.256 0.128 18412 1730 1 5 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.180 0.019 18412 1731 1 5 . 1 1 2 2 ALA CA C 2 54.652 54.652 54.981 -0.329 18412 1732 1 5 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.632 0.753 18412 1733 1 5 . 1 1 2 2 ALA H H 2 8.326 8.326 8.503 -0.177 18412 1734 1 5 . 1 1 3 3 GLU N N 3 118.800 118.800 117.822 0.978 18412 1735 1 5 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.139 0.059 18412 1736 1 5 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.387 0.017 18412 1737 1 5 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.009 0.547 18412 1738 1 5 . 1 1 3 3 GLU H H 3 8.411 8.411 9.072 -0.661 18412 1739 1 5 . 1 1 4 4 TYR N N 4 123.838 123.838 120.741 3.097 18412 1740 1 5 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.770 0.234 18412 1741 1 5 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.371 0.261 18412 1742 1 5 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.767 0.634 18412 1743 1 5 . 1 1 4 4 TYR H H 4 8.448 8.448 8.407 0.041 18412 1744 1 5 . 1 1 5 5 GLY N N 5 105.816 105.816 106.273 -0.457 18412 1745 1 5 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.464 -0.322 18412 1746 1 5 . 1 1 5 5 GLY H H 5 8.250 8.250 8.388 -0.138 18412 1747 1 5 . 1 1 6 6 THR N N 6 119.523 119.523 119.347 0.176 18412 1748 1 5 . 1 1 6 6 THR HA H 6 3.802 3.802 3.858 -0.056 18412 1749 1 5 . 1 1 6 6 THR CA C 6 66.449 66.449 65.890 0.559 18412 1750 1 5 . 1 1 6 6 THR CB C 6 68.391 68.391 68.945 -0.554 18412 1751 1 5 . 1 1 6 6 THR H H 6 7.868 7.868 7.669 0.199 18412 1752 1 5 . 1 1 7 7 LEU N N 7 123.502 123.502 123.255 0.247 18412 1753 1 5 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.820 0.419 18412 1754 1 5 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.033 0.192 18412 1755 1 5 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.135 -1.382 18412 1756 1 5 . 1 1 7 7 LEU H H 7 7.594 7.594 8.112 -0.518 18412 1757 1 5 . 1 1 8 8 LEU N N 8 115.222 115.222 117.694 -2.472 18412 1758 1 5 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.320 -0.047 18412 1759 1 5 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.498 -0.364 18412 1760 1 5 . 1 1 8 8 LEU CB C 8 40.136 40.136 40.103 0.033 18412 1761 1 5 . 1 1 8 8 LEU H H 8 7.654 7.654 7.750 -0.096 18412 1762 1 5 . 1 1 9 9 GLN N N 9 120.743 120.743 118.919 1.824 18412 1763 1 5 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.935 -0.056 18412 1764 1 5 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.287 -0.511 18412 1765 1 5 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.080 0.848 18412 1766 1 5 . 1 1 9 9 GLN H H 9 7.688 7.688 7.523 0.165 18412 1767 1 5 . 1 1 10 10 ASP N N 10 122.554 122.554 120.580 1.974 18412 1768 1 5 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.352 -0.019 18412 1769 1 5 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.626 0.051 18412 1770 1 5 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.646 -0.709 18412 1771 1 5 . 1 1 10 10 ASP H H 10 8.656 8.656 8.144 0.512 18412 1772 1 5 . 1 1 11 11 LEU N N 11 119.408 119.408 117.582 1.826 18412 1773 1 5 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.197 -0.311 18412 1774 1 5 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.059 0.426 18412 1775 1 5 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.075 2.178 18412 1776 1 5 . 1 1 11 11 LEU H H 11 8.805 8.805 7.775 1.030 18412 1777 1 5 . 1 1 12 12 THR N N 12 113.945 113.945 115.832 -1.887 18412 1778 1 5 . 1 1 12 12 THR HA H 12 3.875 3.875 4.054 -0.179 18412 1779 1 5 . 1 1 12 12 THR CA C 12 67.829 67.829 66.860 0.969 18412 1780 1 5 . 1 1 12 12 THR CB C 12 68.521 68.521 68.310 0.211 18412 1781 1 5 . 1 1 12 12 THR H H 12 8.305 8.305 8.151 0.154 18412 1782 1 5 . 1 1 13 13 ASN N N 13 119.138 119.138 118.610 0.528 18412 1783 1 5 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.601 -0.011 18412 1784 1 5 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.656 -1.006 18412 1785 1 5 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.204 0.059 18412 1786 1 5 . 1 1 13 13 ASN H H 13 8.180 8.180 8.414 -0.234 18412 1787 1 5 . 1 1 14 14 ASN N N 14 117.905 117.905 116.356 1.549 18412 1788 1 5 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.697 0.129 18412 1789 1 5 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.461 -0.103 18412 1790 1 5 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.471 1.987 18412 1791 1 5 . 1 1 14 14 ASN H H 14 7.778 7.778 7.751 0.027 18412 1792 1 5 . 1 1 15 15 ILE N N 15 120.690 120.690 121.739 -1.049 18412 1793 1 5 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.116 0.595 18412 1794 1 5 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.749 0.128 18412 1795 1 5 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.566 4.778 18412 1796 1 5 . 1 1 15 15 ILE H H 15 7.234 7.234 7.122 0.112 18412 1797 1 5 . 1 1 16 16 THR N N 16 120.066 120.066 118.360 1.706 18412 1798 1 5 . 1 1 16 16 THR HA H 16 4.536 4.536 4.560 -0.024 18412 1799 1 5 . 1 1 16 16 THR CA C 16 60.804 60.804 59.826 0.978 18412 1800 1 5 . 1 1 16 16 THR CB C 16 71.263 71.263 71.848 -0.585 18412 1801 1 5 . 1 1 16 16 THR H H 16 9.188 9.188 7.778 1.410 18412 1802 1 5 . 1 1 17 17 LEU N N 17 121.043 121.043 122.989 -1.946 18412 1803 1 5 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.938 0.058 18412 1804 1 5 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.819 -0.126 18412 1805 1 5 . 1 1 17 17 LEU CB C 17 41.327 41.327 40.863 0.464 18412 1806 1 5 . 1 1 17 17 LEU H H 17 8.662 8.662 8.898 -0.235 18412 1807 1 5 . 1 1 18 18 GLU N N 18 118.968 118.968 118.795 0.173 18412 1808 1 5 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.972 -0.025 18412 1809 1 5 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.603 0.383 18412 1810 1 5 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.245 -0.097 18412 1811 1 5 . 1 1 18 18 GLU H H 18 8.374 8.374 8.656 -0.282 18412 1812 1 5 . 1 1 19 19 ASP N N 19 121.542 121.542 120.899 0.643 18412 1813 1 5 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.322 -0.179 18412 1814 1 5 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.600 -1.009 18412 1815 1 5 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.674 0.638 18412 1816 1 5 . 1 1 19 19 ASP H H 19 7.857 7.857 8.438 -0.581 18412 1817 1 5 . 1 1 20 20 LEU N N 20 120.904 120.904 120.202 0.702 18412 1818 1 5 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.668 -0.251 18412 1819 1 5 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.239 -1.325 18412 1820 1 5 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.519 -0.417 18412 1821 1 5 . 1 1 20 20 LEU H H 20 8.412 8.412 8.508 -0.096 18412 1822 1 5 . 1 1 21 21 GLU N N 21 117.187 117.187 118.065 -0.878 18412 1823 1 5 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.795 0.003 18412 1824 1 5 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.627 -0.356 18412 1825 1 5 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.738 0.179 18412 1826 1 5 . 1 1 21 21 GLU H H 21 7.462 7.462 8.184 -0.722 18412 1827 1 5 . 1 1 22 22 GLN N N 22 118.617 118.617 119.925 -1.308 18412 1828 1 5 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.063 -0.044 18412 1829 1 5 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.856 -0.269 18412 1830 1 5 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.566 -0.331 18412 1831 1 5 . 1 1 22 22 GLN H H 22 7.135 7.135 7.631 -0.496 18412 1832 1 5 . 1 1 23 23 LEU N N 23 121.325 121.325 120.548 0.777 18412 1833 1 5 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.787 -0.082 18412 1834 1 5 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.862 -0.077 18412 1835 1 5 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.203 -1.583 18412 1836 1 5 . 1 1 23 23 LEU H H 23 7.833 7.833 8.076 -0.243 18412 1837 1 5 . 1 1 24 24 LYS N N 24 116.045 116.045 118.651 -2.606 18412 1838 1 5 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.696 -0.046 18412 1839 1 5 . 1 1 24 24 LYS CA C 24 60.545 60.545 58.579 1.966 18412 1840 1 5 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.515 0.297 18412 1841 1 5 . 1 1 24 24 LYS H H 24 8.307 8.307 8.342 -0.035 18412 1842 1 5 . 1 1 25 25 SER N N 25 116.071 116.071 115.386 0.685 18412 1843 1 5 . 1 1 25 25 SER HA H 25 4.111 4.111 4.148 -0.037 18412 1844 1 5 . 1 1 25 25 SER CA C 25 61.557 61.557 61.468 0.089 18412 1845 1 5 . 1 1 25 25 SER CB C 25 62.565 62.565 62.696 -0.131 18412 1846 1 5 . 1 1 25 25 SER H H 25 7.781 7.781 7.816 -0.035 18412 1847 1 5 . 1 1 26 26 ALA N N 26 123.448 123.448 124.485 -1.037 18412 1848 1 5 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.010 0.165 18412 1849 1 5 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.803 -0.554 18412 1850 1 5 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.326 0.387 18412 1851 1 5 . 1 1 26 26 ALA H H 26 7.735 7.735 7.930 -0.195 18412 1852 1 5 . 1 1 27 27 CYS N N 27 113.480 113.480 116.452 -2.972 18412 1853 1 5 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.407 0.224 18412 1854 1 5 . 1 1 27 27 CYS CA C 27 59.381 59.381 59.368 0.013 18412 1855 1 5 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.169 2.465 18412 1856 1 5 . 1 1 27 27 CYS H H 27 7.390 7.390 8.315 -0.925 18412 1857 1 5 . 1 1 28 28 LYS N N 28 118.354 118.354 120.948 -2.594 18412 1858 1 5 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.007 -0.062 18412 1859 1 5 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.408 -0.988 18412 1860 1 5 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.439 0.108 18412 1861 1 5 . 1 1 28 28 LYS H H 28 7.634 7.634 7.656 -0.022 18412 1862 1 5 . 1 1 29 29 GLU N N 29 118.875 118.875 117.954 0.921 18412 1863 1 5 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.181 -0.024 18412 1864 1 5 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.211 0.029 18412 1865 1 5 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.584 -0.720 18412 1866 1 5 . 1 1 29 29 GLU H H 29 8.552 8.552 8.515 0.037 18412 1867 1 5 . 1 1 30 30 ASP N N 30 117.610 117.610 118.105 -0.495 18412 1868 1 5 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.731 -0.143 18412 1869 1 5 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.846 0.037 18412 1870 1 5 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.995 -0.468 18412 1871 1 5 . 1 1 30 30 ASP H H 30 7.962 7.962 7.557 0.405 18412 1872 1 5 . 1 1 31 31 ILE N N 31 116.930 116.930 121.843 -4.913 18412 1873 1 5 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.697 -0.330 18412 1874 1 5 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.563 0.470 18412 1875 1 5 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.509 -0.740 18412 1876 1 5 . 1 1 31 31 ILE H H 31 7.317 7.317 8.257 -0.940 18412 1877 1 5 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.647 -0.186 18412 1878 1 5 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.856 -0.011 18412 1879 1 5 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.387 0.127 18412 1880 1 5 . 1 1 33 33 SER N N 33 119.808 119.808 119.279 0.529 18412 1881 1 5 . 1 1 33 33 SER HA H 33 4.141 4.141 3.924 0.217 18412 1882 1 5 . 1 1 33 33 SER CA C 33 61.125 61.125 62.187 -1.062 18412 1883 1 5 . 1 1 33 33 SER CB C 33 63.000 63.000 63.090 -0.090 18412 1884 1 5 . 1 1 33 33 SER H H 33 8.778 8.778 8.908 -0.130 18412 1885 1 5 . 1 1 34 34 GLU N N 34 120.906 120.906 119.203 1.703 18412 1886 1 5 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.059 0.146 18412 1887 1 5 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.811 -1.111 18412 1888 1 5 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.363 -0.651 18412 1889 1 5 . 1 1 34 34 GLU H H 34 9.336 9.336 8.698 0.638 18412 1890 1 5 . 1 1 35 35 LYS N N 35 117.698 117.698 117.587 0.111 18412 1891 1 5 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.180 0.167 18412 1892 1 5 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.726 -2.266 18412 1893 1 5 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.606 0.651 18412 1894 1 5 . 1 1 35 35 LYS H H 35 7.659 7.659 7.892 -0.233 18412 1895 1 5 . 1 1 36 36 SER N N 36 114.472 114.472 115.258 -0.786 18412 1896 1 5 . 1 1 36 36 SER HA H 36 3.652 3.652 4.103 -0.451 18412 1897 1 5 . 1 1 36 36 SER CA C 36 61.450 61.450 61.330 0.120 18412 1898 1 5 . 1 1 36 36 SER CB C 36 62.820 62.820 62.729 0.091 18412 1899 1 5 . 1 1 36 36 SER H H 36 7.732 7.732 8.453 -0.721 18412 1900 1 5 . 1 1 37 37 GLU N N 37 118.258 118.258 122.113 -3.855 18412 1901 1 5 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.088 -0.118 18412 1902 1 5 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.838 -0.725 18412 1903 1 5 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.199 0.345 18412 1904 1 5 . 1 1 37 37 GLU H H 37 8.187 8.187 7.873 0.314 18412 1905 1 5 . 1 1 38 38 GLU N N 38 115.652 115.652 117.201 -1.549 18412 1906 1 5 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.362 -0.166 18412 1907 1 5 . 1 1 38 38 GLU CA C 38 56.494 56.494 55.839 0.655 18412 1908 1 5 . 1 1 38 38 GLU CB C 38 30.102 30.102 28.994 1.108 18412 1909 1 5 . 1 1 38 38 GLU H H 38 7.472 7.472 7.911 -0.439 18412 1910 1 5 . 1 1 39 39 ILE N N 39 121.367 121.367 123.748 -2.381 18412 1911 1 5 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.150 -0.165 18412 1912 1 5 . 1 1 39 39 ILE CA C 39 60.919 60.919 60.940 -0.021 18412 1913 1 5 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.966 1.438 18412 1914 1 5 . 1 1 39 39 ILE H H 39 7.504 7.504 7.271 0.233 18412 1915 1 5 . 1 1 40 40 THR N N 40 115.102 115.102 116.600 -1.498 18412 1916 1 5 . 1 1 40 40 THR HA H 40 4.459 4.459 4.338 0.121 18412 1917 1 5 . 1 1 40 40 THR CA C 40 61.169 61.169 62.709 -1.540 18412 1918 1 5 . 1 1 40 40 THR CB C 40 69.913 69.913 69.339 0.574 18412 1919 1 5 . 1 1 40 40 THR H H 40 8.173 8.173 7.731 0.442 18412 1920 1 5 . 1 1 41 41 THR N N 41 108.664 108.664 112.703 -4.039 18412 1921 1 5 . 1 1 41 41 THR HA H 41 4.602 4.602 4.560 0.042 18412 1922 1 5 . 1 1 41 41 THR CA C 41 59.116 59.116 61.096 -1.980 18412 1923 1 5 . 1 1 41 41 THR CB C 41 73.442 73.442 70.757 2.685 18412 1924 1 5 . 1 1 41 41 THR H H 41 7.104 7.104 7.305 -0.201 18412 1925 1 5 . 1 1 42 42 GLY N N 42 109.200 109.200 111.342 -2.142 18412 1926 1 5 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.222 0.289 18412 1927 1 5 . 1 1 42 42 GLY H H 42 9.196 9.196 9.029 0.167 18412 1928 1 5 . 1 1 43 43 SER N N 43 114.564 114.564 118.035 -3.471 18412 1929 1 5 . 1 1 43 43 SER HA H 43 4.360 4.360 4.325 0.035 18412 1930 1 5 . 1 1 43 43 SER CA C 43 61.523 61.523 61.846 -0.323 18412 1931 1 5 . 1 1 43 43 SER CB C 43 62.448 62.448 63.181 -0.733 18412 1932 1 5 . 1 1 43 43 SER H H 43 8.208 8.208 8.334 -0.126 18412 1933 1 5 . 1 1 44 44 ALA N N 44 123.757 123.757 123.974 -0.217 18412 1934 1 5 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.189 0.092 18412 1935 1 5 . 1 1 44 44 ALA CA C 44 54.526 54.526 55.464 -0.938 18412 1936 1 5 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.097 1.236 18412 1937 1 5 . 1 1 44 44 ALA H H 44 7.964 7.964 8.561 -0.597 18412 1938 1 5 . 1 1 45 45 TRP N N 45 122.904 122.904 120.472 2.432 18412 1939 1 5 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.414 -0.186 18412 1940 1 5 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.064 1.566 18412 1941 1 5 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.210 -1.686 18412 1942 1 5 . 1 1 45 45 TRP H H 45 8.001 8.001 7.622 0.379 18412 1943 1 5 . 1 1 46 46 PHE N N 46 116.699 116.699 118.439 -1.740 18412 1944 1 5 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.592 0.294 18412 1945 1 5 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.016 -0.324 18412 1946 1 5 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.054 -0.209 18412 1947 1 5 . 1 1 46 46 PHE H H 46 8.250 8.250 7.936 0.314 18412 1948 1 5 . 1 1 47 47 SER N N 47 113.740 113.740 116.107 -2.367 18412 1949 1 5 . 1 1 47 47 SER HA H 47 4.419 4.419 4.519 -0.100 18412 1950 1 5 . 1 1 47 47 SER CA C 47 61.723 61.723 61.635 0.088 18412 1951 1 5 . 1 1 47 47 SER CB C 47 62.769 62.769 62.663 0.107 18412 1952 1 5 . 1 1 47 47 SER H H 47 8.331 8.331 8.898 -0.567 18412 1953 1 5 . 1 1 48 48 PHE N N 48 124.310 124.310 124.221 0.089 18412 1954 1 5 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.176 0.076 18412 1955 1 5 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.002 0.785 18412 1956 1 5 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.771 0.160 18412 1957 1 5 . 1 1 48 48 PHE H H 48 8.175 8.175 8.068 0.107 18412 1958 1 5 . 1 1 49 49 LEU N N 49 120.565 120.565 120.412 0.153 18412 1959 1 5 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.313 0.209 18412 1960 1 5 . 1 1 49 49 LEU CA C 49 58.233 58.233 57.962 0.271 18412 1961 1 5 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.312 0.213 18412 1962 1 5 . 1 1 49 49 LEU H H 49 8.212 8.212 8.378 -0.166 18412 1963 1 5 . 1 1 50 50 GLU N N 50 120.639 120.639 117.674 2.965 18412 1964 1 5 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.177 0.399 18412 1965 1 5 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.855 0.321 18412 1966 1 5 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.511 1.113 18412 1967 1 5 . 1 1 50 50 GLU H H 50 8.702 8.702 8.669 0.033 18412 1968 1 5 . 1 1 51 51 SER N N 51 116.044 116.044 113.018 3.026 18412 1969 1 5 . 1 1 51 51 SER HA H 51 4.178 4.178 4.282 -0.104 18412 1970 1 5 . 1 1 51 51 SER CA C 51 60.575 60.575 60.428 0.147 18412 1971 1 5 . 1 1 51 51 SER CB C 51 62.881 62.881 63.635 -0.754 18412 1972 1 5 . 1 1 51 51 SER H H 51 8.272 8.272 7.654 0.618 18412 1973 1 5 . 1 1 52 52 HIS N N 52 118.134 118.134 118.383 -0.249 18412 1974 1 5 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.554 -0.150 18412 1975 1 5 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.827 2.590 18412 1976 1 5 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.047 -2.627 18412 1977 1 5 . 1 1 52 52 HIS H H 52 7.217 7.217 7.348 -0.131 18412 1978 1 5 . 1 1 53 53 ASN N N 53 113.597 113.597 120.218 -6.621 18412 1979 1 5 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.649 -0.139 18412 1980 1 5 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.732 1.073 18412 1981 1 5 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.211 -0.448 18412 1982 1 5 . 1 1 53 53 ASN H H 53 7.893 7.893 8.830 -0.937 18412 1983 1 5 . 1 1 54 54 LYS N N 54 113.123 113.123 118.716 -5.593 18412 1984 1 5 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.260 -0.025 18412 1985 1 5 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.487 -1.224 18412 1986 1 5 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.123 0.422 18412 1987 1 5 . 1 1 54 54 LYS H H 54 8.082 8.082 7.665 0.417 18412 1988 1 5 . 1 1 55 55 LEU N N 55 120.215 120.215 119.922 0.293 18412 1989 1 5 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.507 0.148 18412 1990 1 5 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.975 0.292 18412 1991 1 5 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.537 2.840 18412 1992 1 5 . 1 1 55 55 LEU H H 55 6.882 6.882 7.291 -0.409 18412 1993 1 5 . 1 1 56 56 ASP N N 56 120.831 120.831 127.626 -6.795 18412 1994 1 5 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.709 -0.317 18412 1995 1 5 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.190 -0.524 18412 1996 1 5 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.589 -0.274 18412 1997 1 5 . 1 1 56 56 ASP H H 56 8.078 8.078 8.474 -0.396 18412 1998 1 5 . 1 1 57 57 LYS N N 57 115.203 115.203 119.170 -3.967 18412 1999 1 5 . 1 1 57 57 LYS HA H 57 3.365 3.365 3.941 -0.576 18412 2000 1 5 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.446 -0.794 18412 2001 1 5 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.005 -0.687 18412 2002 1 5 . 1 1 57 57 LYS H H 57 7.958 7.958 8.572 -0.614 18412 2003 1 5 . 1 1 58 58 ASP N N 58 118.074 118.074 116.396 1.678 18412 2004 1 5 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.413 0.544 18412 2005 1 5 . 1 1 58 58 ASP CA C 58 54.283 54.283 55.249 -0.966 18412 2006 1 5 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.978 2.081 18412 2007 1 5 . 1 1 58 58 ASP H H 58 8.336 8.336 8.247 0.089 18412 2008 1 5 . 1 1 59 59 ASN N N 59 119.835 119.835 118.457 1.378 18412 2009 1 5 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.715 0.245 18412 2010 1 5 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.600 -0.871 18412 2011 1 5 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.498 0.379 18412 2012 1 5 . 1 1 59 59 ASN H H 59 7.850 7.850 8.109 -0.259 18412 2013 1 5 . 1 1 60 60 LEU N N 60 125.541 125.541 119.719 5.822 18412 2014 1 5 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.064 -0.504 18412 2015 1 5 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.063 -1.815 18412 2016 1 5 . 1 1 60 60 LEU CB C 60 42.190 42.190 43.470 -1.280 18412 2017 1 5 . 1 1 60 60 LEU H H 60 8.995 8.995 8.156 0.839 18412 2018 1 5 . 1 1 61 61 SER N N 61 114.344 114.344 118.020 -3.676 18412 2019 1 5 . 1 1 61 61 SER HA H 61 4.159 4.159 4.183 -0.024 18412 2020 1 5 . 1 1 61 61 SER CA C 61 62.002 62.002 62.399 -0.397 18412 2021 1 5 . 1 1 61 61 SER CB C 61 62.987 62.987 62.596 0.391 18412 2022 1 5 . 1 1 61 61 SER H H 61 7.880 7.880 8.428 -0.548 18412 2023 1 5 . 1 1 62 62 TYR N N 62 125.087 125.087 122.105 2.982 18412 2024 1 5 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.268 0.031 18412 2025 1 5 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.400 0.805 18412 2026 1 5 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.424 0.501 18412 2027 1 5 . 1 1 62 62 TYR H H 62 8.765 8.765 8.203 0.562 18412 2028 1 5 . 1 1 63 63 ILE N N 63 111.338 111.338 116.074 -4.736 18412 2029 1 5 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.795 -0.153 18412 2030 1 5 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.138 0.980 18412 2031 1 5 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.203 -0.820 18412 2032 1 5 . 1 1 63 63 ILE H H 63 7.631 7.631 7.889 -0.258 18412 2033 1 5 . 1 1 64 64 GLU N N 64 121.049 121.049 121.968 -0.919 18412 2034 1 5 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.118 -0.393 18412 2035 1 5 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.152 0.743 18412 2036 1 5 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.653 0.585 18412 2037 1 5 . 1 1 64 64 GLU H H 64 7.987 7.987 8.503 -0.516 18412 2038 1 5 . 1 1 65 65 HIS N N 65 117.657 117.657 118.869 -1.212 18412 2039 1 5 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.270 0.168 18412 2040 1 5 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.445 -0.423 18412 2041 1 5 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.613 -1.026 18412 2042 1 5 . 1 1 65 65 HIS H H 65 7.513 7.513 7.831 -0.318 18412 2043 1 5 . 1 1 66 66 ILE N N 66 118.281 118.281 118.923 -0.642 18412 2044 1 5 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.413 0.014 18412 2045 1 5 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.511 -1.773 18412 2046 1 5 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.205 -1.119 18412 2047 1 5 . 1 1 66 66 ILE H H 66 7.924 7.924 7.432 0.492 18412 2048 1 5 . 1 1 67 67 PHE N N 67 121.084 121.084 116.623 4.461 18412 2049 1 5 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.151 0.315 18412 2050 1 5 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.129 -3.447 18412 2051 1 5 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.730 -1.052 18412 2052 1 5 . 1 1 67 67 PHE H H 67 8.737 8.737 8.092 0.645 18412 2053 1 5 . 1 1 68 68 GLU N N 68 120.739 120.739 120.123 0.616 18412 2054 1 5 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.068 0.018 18412 2055 1 5 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.985 1.115 18412 2056 1 5 . 1 1 68 68 GLU CB C 68 29.735 29.735 30.054 -0.319 18412 2057 1 5 . 1 1 68 68 GLU H H 68 8.228 8.228 7.662 0.566 18412 2058 1 5 . 1 1 69 69 ILE N N 69 117.535 117.535 113.787 3.748 18412 2059 1 5 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.863 0.177 18412 2060 1 5 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.415 0.816 18412 2061 1 5 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.952 -0.325 18412 2062 1 5 . 1 1 69 69 ILE H H 69 8.393 8.393 7.775 0.618 18412 2063 1 5 . 1 1 70 70 SER N N 70 115.058 115.058 115.841 -0.783 18412 2064 1 5 . 1 1 70 70 SER HA H 70 4.419 4.419 4.363 0.056 18412 2065 1 5 . 1 1 70 70 SER CA C 70 58.502 58.502 57.185 1.317 18412 2066 1 5 . 1 1 70 70 SER CB C 70 63.029 63.029 64.232 -1.203 18412 2067 1 5 . 1 1 70 70 SER H H 70 7.857 7.857 7.806 0.051 18412 2068 1 5 . 1 1 71 71 ARG N N 71 115.621 115.621 126.689 -11.068 18412 2069 1 5 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.276 -0.374 18412 2070 1 5 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.196 0.256 18412 2071 1 5 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.816 -1.466 18412 2072 1 5 . 1 1 71 71 ARG H H 71 7.753 7.753 8.717 -0.964 18412 2073 1 5 . 1 1 72 72 ARG N N 72 115.226 115.226 119.576 -4.350 18412 2074 1 5 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.942 0.132 18412 2075 1 5 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.928 -4.315 18412 2076 1 5 . 1 1 72 72 ARG CB C 72 28.562 28.562 31.174 -2.612 18412 2077 1 5 . 1 1 72 72 ARG H H 72 8.006 8.006 8.516 -0.510 18412 2078 1 5 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.520 -0.183 18412 2079 1 5 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.895 -0.197 18412 2080 1 5 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.944 -0.615 18412 2081 1 5 . 1 1 74 74 ASP N N 74 118.600 118.600 119.011 -0.411 18412 2082 1 5 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.423 -0.243 18412 2083 1 5 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.633 -1.643 18412 2084 1 5 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.955 -1.920 18412 2085 1 5 . 1 1 74 74 ASP H H 74 9.152 9.152 8.706 0.446 18412 2086 1 5 . 1 1 75 75 LEU N N 75 120.762 120.762 119.975 0.787 18412 2087 1 5 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.942 -0.035 18412 2088 1 5 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.141 -0.779 18412 2089 1 5 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.123 -2.484 18412 2090 1 5 . 1 1 75 75 LEU H H 75 7.044 7.044 7.360 -0.316 18412 2091 1 5 . 1 1 76 76 LEU N N 76 118.917 118.917 120.692 -1.775 18412 2092 1 5 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.018 0.100 18412 2093 1 5 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.877 -0.024 18412 2094 1 5 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.393 1.213 18412 2095 1 5 . 1 1 76 76 LEU H H 76 7.850 7.850 7.811 0.039 18412 2096 1 5 . 1 1 77 77 THR N N 77 114.574 114.574 115.542 -0.968 18412 2097 1 5 . 1 1 77 77 THR HA H 77 3.830 3.830 3.967 -0.137 18412 2098 1 5 . 1 1 77 77 THR CA C 77 66.882 66.882 66.774 0.108 18412 2099 1 5 . 1 1 77 77 THR CB C 77 68.991 68.991 68.255 0.736 18412 2100 1 5 . 1 1 77 77 THR H H 77 8.287 8.287 8.263 0.024 18412 2101 1 5 . 1 1 78 78 MET N N 78 118.873 118.873 119.379 -0.506 18412 2102 1 5 . 1 1 78 78 MET HA H 78 4.155 4.155 4.190 -0.035 18412 2103 1 5 . 1 1 78 78 MET CA C 78 59.838 59.838 58.075 1.762 18412 2104 1 5 . 1 1 78 78 MET CB C 78 32.697 32.697 31.436 1.261 18412 2105 1 5 . 1 1 78 78 MET H H 78 7.032 7.032 7.757 -0.725 18412 2106 1 5 . 1 1 79 79 VAL N N 79 120.046 120.046 119.811 0.235 18412 2107 1 5 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.846 -0.125 18412 2108 1 5 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.461 0.520 18412 2109 1 5 . 1 1 79 79 VAL CB C 79 32.032 32.032 30.958 1.074 18412 2110 1 5 . 1 1 79 79 VAL H H 79 7.633 7.633 7.793 -0.160 18412 2111 1 5 . 1 1 80 80 VAL N N 80 121.510 121.510 122.164 -0.654 18412 2112 1 5 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.673 -0.132 18412 2113 1 5 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.024 0.081 18412 2114 1 5 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.410 0.437 18412 2115 1 5 . 1 1 80 80 VAL H H 80 8.601 8.601 8.788 -0.187 18412 2116 1 5 . 1 1 81 81 ASP N N 81 121.760 121.760 120.555 1.205 18412 2117 1 5 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.376 -0.023 18412 2118 1 5 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.402 0.274 18412 2119 1 5 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.257 0.314 18412 2120 1 5 . 1 1 81 81 ASP H H 81 8.677 8.677 8.698 -0.021 18412 2121 1 5 . 1 1 82 82 TYR N N 82 121.025 121.025 121.678 -0.653 18412 2122 1 5 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.072 0.115 18412 2123 1 5 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.442 0.061 18412 2124 1 5 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.565 0.058 18412 2125 1 5 . 1 1 82 82 TYR H H 82 7.608 7.608 8.111 -0.503 18412 2126 1 5 . 1 1 83 83 ARG N N 83 119.379 119.379 118.680 0.699 18412 2127 1 5 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.774 -0.103 18412 2128 1 5 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.617 0.260 18412 2129 1 5 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.700 0.678 18412 2130 1 5 . 1 1 83 83 ARG H H 83 8.596 8.596 8.526 0.070 18412 2131 1 5 . 1 1 84 84 THR N N 84 113.330 113.330 116.161 -2.831 18412 2132 1 5 . 1 1 84 84 THR HA H 84 3.946 3.946 4.062 -0.116 18412 2133 1 5 . 1 1 84 84 THR CA C 84 65.316 65.316 67.124 -1.808 18412 2134 1 5 . 1 1 84 84 THR CB C 84 69.273 69.273 68.590 0.683 18412 2135 1 5 . 1 1 84 84 THR H H 84 8.305 8.305 8.106 0.199 18412 2136 1 5 . 1 1 85 85 ARG N N 85 121.457 121.457 122.637 -1.180 18412 2137 1 5 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.131 -0.074 18412 2138 1 5 . 1 1 85 85 ARG CA C 85 58.905 58.905 58.900 0.005 18412 2139 1 5 . 1 1 85 85 ARG CB C 85 30.805 30.805 28.808 1.997 18412 2140 1 5 . 1 1 85 85 ARG H H 85 7.949 7.949 8.557 -0.608 18412 2141 1 5 . 1 1 86 86 VAL N N 86 117.232 117.232 119.671 -2.439 18412 2142 1 5 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.735 0.062 18412 2143 1 5 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.171 -1.907 18412 2144 1 5 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.909 0.798 18412 2145 1 5 . 1 1 86 86 VAL H H 86 7.962 7.962 8.021 -0.059 18412 2146 1 5 . 1 1 87 87 LEU N N 87 120.870 120.870 122.159 -1.289 18412 2147 1 5 . 1 1 87 87 LEU HA H 87 4.158 4.158 4.012 0.146 18412 2148 1 5 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.099 -2.043 18412 2149 1 5 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.715 0.018 18412 2150 1 5 . 1 1 87 87 LEU H H 87 7.463 7.463 7.373 0.090 18412 2151 1 5 . 1 1 88 88 LYS N N 88 118.925 118.925 118.307 0.618 18412 2152 1 5 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.159 0.009 18412 2153 1 5 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.247 -1.558 18412 2154 1 5 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.655 -0.533 18412 2155 1 5 . 1 1 88 88 LYS H H 88 7.602 7.602 8.187 -0.585 18412 2156 1 5 . 1 1 89 89 ILE N N 89 120.845 120.845 119.526 1.319 18412 2157 1 5 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.885 0.164 18412 2158 1 5 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.901 -1.034 18412 2159 1 5 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.522 0.138 18412 2160 1 5 . 1 1 89 89 ILE H H 89 7.882 7.882 7.926 -0.044 18412 2161 1 6 . 1 1 2 2 ALA N N 2 124.384 124.384 124.125 0.259 18412 2162 1 6 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.210 -0.011 18412 2163 1 6 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.056 -0.404 18412 2164 1 6 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.828 0.558 18412 2165 1 6 . 1 1 2 2 ALA H H 2 8.326 8.326 8.478 -0.152 18412 2166 1 6 . 1 1 3 3 GLU N N 3 118.800 118.800 117.712 1.088 18412 2167 1 6 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.136 0.062 18412 2168 1 6 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.498 -0.094 18412 2169 1 6 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.078 0.478 18412 2170 1 6 . 1 1 3 3 GLU H H 3 8.411 8.411 9.092 -0.681 18412 2171 1 6 . 1 1 4 4 TYR N N 4 123.838 123.838 120.623 3.215 18412 2172 1 6 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.536 0.468 18412 2173 1 6 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.505 0.127 18412 2174 1 6 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.762 0.640 18412 2175 1 6 . 1 1 4 4 TYR H H 4 8.448 8.448 8.355 0.093 18412 2176 1 6 . 1 1 5 5 GLY N N 5 105.816 105.816 106.027 -0.211 18412 2177 1 6 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.419 -0.277 18412 2178 1 6 . 1 1 5 5 GLY H H 5 8.250 8.250 8.262 -0.012 18412 2179 1 6 . 1 1 6 6 THR N N 6 119.523 119.523 119.504 0.019 18412 2180 1 6 . 1 1 6 6 THR HA H 6 3.802 3.802 3.859 -0.057 18412 2181 1 6 . 1 1 6 6 THR CA C 6 66.449 66.449 65.858 0.591 18412 2182 1 6 . 1 1 6 6 THR CB C 6 68.391 68.391 68.932 -0.541 18412 2183 1 6 . 1 1 6 6 THR H H 6 7.868 7.868 7.819 0.049 18412 2184 1 6 . 1 1 7 7 LEU N N 7 123.502 123.502 123.131 0.371 18412 2185 1 6 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.843 0.396 18412 2186 1 6 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.003 0.222 18412 2187 1 6 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.161 -1.408 18412 2188 1 6 . 1 1 7 7 LEU H H 7 7.594 7.594 8.223 -0.629 18412 2189 1 6 . 1 1 8 8 LEU N N 8 115.222 115.222 117.845 -2.623 18412 2190 1 6 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.333 -0.060 18412 2191 1 6 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.183 -0.049 18412 2192 1 6 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.867 0.269 18412 2193 1 6 . 1 1 8 8 LEU H H 8 7.654 7.654 7.663 -0.009 18412 2194 1 6 . 1 1 9 9 GLN N N 9 120.743 120.743 118.821 1.922 18412 2195 1 6 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.943 -0.064 18412 2196 1 6 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.197 -0.421 18412 2197 1 6 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.046 0.882 18412 2198 1 6 . 1 1 9 9 GLN H H 9 7.688 7.688 7.523 0.165 18412 2199 1 6 . 1 1 10 10 ASP N N 10 122.554 122.554 120.808 1.746 18412 2200 1 6 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.347 -0.014 18412 2201 1 6 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.330 0.347 18412 2202 1 6 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.330 -0.393 18412 2203 1 6 . 1 1 10 10 ASP H H 10 8.656 8.656 8.198 0.458 18412 2204 1 6 . 1 1 11 11 LEU N N 11 119.408 119.408 117.665 1.743 18412 2205 1 6 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.214 -0.328 18412 2206 1 6 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.047 0.438 18412 2207 1 6 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.126 2.127 18412 2208 1 6 . 1 1 11 11 LEU H H 11 8.805 8.805 7.871 0.934 18412 2209 1 6 . 1 1 12 12 THR N N 12 113.945 113.945 116.923 -2.978 18412 2210 1 6 . 1 1 12 12 THR HA H 12 3.875 3.875 4.043 -0.168 18412 2211 1 6 . 1 1 12 12 THR CA C 12 67.829 67.829 67.582 0.247 18412 2212 1 6 . 1 1 12 12 THR CB C 12 68.521 68.521 68.553 -0.032 18412 2213 1 6 . 1 1 12 12 THR H H 12 8.305 8.305 8.195 0.110 18412 2214 1 6 . 1 1 13 13 ASN N N 13 119.138 119.138 119.384 -0.246 18412 2215 1 6 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.576 0.014 18412 2216 1 6 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.938 -1.288 18412 2217 1 6 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.101 0.162 18412 2218 1 6 . 1 1 13 13 ASN H H 13 8.180 8.180 8.449 -0.269 18412 2219 1 6 . 1 1 14 14 ASN N N 14 117.905 117.905 115.982 1.923 18412 2220 1 6 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.736 0.090 18412 2221 1 6 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.213 0.145 18412 2222 1 6 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.534 1.924 18412 2223 1 6 . 1 1 14 14 ASN H H 14 7.778 7.778 7.760 0.018 18412 2224 1 6 . 1 1 15 15 ILE N N 15 120.690 120.690 122.437 -1.747 18412 2225 1 6 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.086 0.625 18412 2226 1 6 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.634 0.243 18412 2227 1 6 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.558 4.786 18412 2228 1 6 . 1 1 15 15 ILE H H 15 7.234 7.234 7.395 -0.161 18412 2229 1 6 . 1 1 16 16 THR N N 16 120.066 120.066 119.750 0.316 18412 2230 1 6 . 1 1 16 16 THR HA H 16 4.536 4.536 4.556 -0.020 18412 2231 1 6 . 1 1 16 16 THR CA C 16 60.804 60.804 59.948 0.856 18412 2232 1 6 . 1 1 16 16 THR CB C 16 71.263 71.263 71.510 -0.247 18412 2233 1 6 . 1 1 16 16 THR H H 16 9.188 9.188 8.000 1.188 18412 2234 1 6 . 1 1 17 17 LEU N N 17 121.043 121.043 123.623 -2.580 18412 2235 1 6 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.895 0.101 18412 2236 1 6 . 1 1 17 17 LEU CA C 17 58.693 58.693 59.009 -0.316 18412 2237 1 6 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.640 -0.313 18412 2238 1 6 . 1 1 17 17 LEU H H 17 8.662 8.662 8.822 -0.160 18412 2239 1 6 . 1 1 18 18 GLU N N 18 118.968 118.968 119.249 -0.281 18412 2240 1 6 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.910 0.037 18412 2241 1 6 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.589 0.397 18412 2242 1 6 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.248 -0.100 18412 2243 1 6 . 1 1 18 18 GLU H H 18 8.374 8.374 8.572 -0.198 18412 2244 1 6 . 1 1 19 19 ASP N N 19 121.542 121.542 121.249 0.293 18412 2245 1 6 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.332 -0.189 18412 2246 1 6 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.489 -0.898 18412 2247 1 6 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.551 0.761 18412 2248 1 6 . 1 1 19 19 ASP H H 19 7.857 7.857 8.451 -0.594 18412 2249 1 6 . 1 1 20 20 LEU N N 20 120.904 120.904 120.210 0.694 18412 2250 1 6 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.643 -0.226 18412 2251 1 6 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.309 -1.395 18412 2252 1 6 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.583 -0.481 18412 2253 1 6 . 1 1 20 20 LEU H H 20 8.412 8.412 8.368 0.044 18412 2254 1 6 . 1 1 21 21 GLU N N 21 117.187 117.187 118.153 -0.966 18412 2255 1 6 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.747 0.051 18412 2256 1 6 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.663 -0.392 18412 2257 1 6 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.157 -0.239 18412 2258 1 6 . 1 1 21 21 GLU H H 21 7.462 7.462 8.297 -0.835 18412 2259 1 6 . 1 1 22 22 GLN N N 22 118.617 118.617 120.341 -1.724 18412 2260 1 6 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.077 -0.058 18412 2261 1 6 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.347 0.240 18412 2262 1 6 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.340 -0.105 18412 2263 1 6 . 1 1 22 22 GLN H H 22 7.135 7.135 8.117 -0.982 18412 2264 1 6 . 1 1 23 23 LEU N N 23 121.325 121.325 120.447 0.878 18412 2265 1 6 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.883 -0.178 18412 2266 1 6 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.394 0.391 18412 2267 1 6 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.207 -1.587 18412 2268 1 6 . 1 1 23 23 LEU H H 23 7.833 7.833 8.460 -0.627 18412 2269 1 6 . 1 1 24 24 LYS N N 24 116.045 116.045 118.711 -2.666 18412 2270 1 6 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.604 0.046 18412 2271 1 6 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.612 0.932 18412 2272 1 6 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.944 -0.132 18412 2273 1 6 . 1 1 24 24 LYS H H 24 8.307 8.307 8.329 -0.022 18412 2274 1 6 . 1 1 25 25 SER N N 25 116.071 116.071 115.425 0.646 18412 2275 1 6 . 1 1 25 25 SER HA H 25 4.111 4.111 4.113 -0.002 18412 2276 1 6 . 1 1 25 25 SER CA C 25 61.557 61.557 61.610 -0.053 18412 2277 1 6 . 1 1 25 25 SER CB C 25 62.565 62.565 62.670 -0.106 18412 2278 1 6 . 1 1 25 25 SER H H 25 7.781 7.781 7.780 0.001 18412 2279 1 6 . 1 1 26 26 ALA N N 26 123.448 123.448 124.395 -0.947 18412 2280 1 6 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.013 0.162 18412 2281 1 6 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.735 -0.486 18412 2282 1 6 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.362 0.351 18412 2283 1 6 . 1 1 26 26 ALA H H 26 7.735 7.735 7.946 -0.211 18412 2284 1 6 . 1 1 27 27 CYS N N 27 113.480 113.480 116.382 -2.902 18412 2285 1 6 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.303 0.328 18412 2286 1 6 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.958 -1.577 18412 2287 1 6 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.991 1.643 18412 2288 1 6 . 1 1 27 27 CYS H H 27 7.390 7.390 8.291 -0.901 18412 2289 1 6 . 1 1 28 28 LYS N N 28 118.354 118.354 120.887 -2.533 18412 2290 1 6 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.944 0.001 18412 2291 1 6 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.733 -1.313 18412 2292 1 6 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.962 -0.415 18412 2293 1 6 . 1 1 28 28 LYS H H 28 7.634 7.634 7.717 -0.083 18412 2294 1 6 . 1 1 29 29 GLU N N 29 118.875 118.875 116.948 1.927 18412 2295 1 6 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.177 -0.020 18412 2296 1 6 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.392 -0.152 18412 2297 1 6 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.712 -0.848 18412 2298 1 6 . 1 1 29 29 GLU H H 29 8.552 8.552 8.451 0.101 18412 2299 1 6 . 1 1 30 30 ASP N N 30 117.610 117.610 118.175 -0.565 18412 2300 1 6 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.730 -0.142 18412 2301 1 6 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.373 0.510 18412 2302 1 6 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.792 -0.265 18412 2303 1 6 . 1 1 30 30 ASP H H 30 7.962 7.962 7.519 0.443 18412 2304 1 6 . 1 1 31 31 ILE N N 31 116.930 116.930 121.902 -4.972 18412 2305 1 6 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.694 -0.327 18412 2306 1 6 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.196 0.837 18412 2307 1 6 . 1 1 31 31 ILE CB C 31 38.769 38.769 40.162 -1.393 18412 2308 1 6 . 1 1 31 31 ILE H H 31 7.317 7.317 8.303 -0.986 18412 2309 1 6 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.645 -0.184 18412 2310 1 6 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.600 0.245 18412 2311 1 6 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.696 -0.182 18412 2312 1 6 . 1 1 33 33 SER N N 33 119.808 119.808 119.252 0.556 18412 2313 1 6 . 1 1 33 33 SER HA H 33 4.141 4.141 3.914 0.227 18412 2314 1 6 . 1 1 33 33 SER CA C 33 61.125 61.125 62.809 -1.684 18412 2315 1 6 . 1 1 33 33 SER CB C 33 63.000 63.000 63.022 -0.022 18412 2316 1 6 . 1 1 33 33 SER H H 33 8.778 8.778 8.926 -0.148 18412 2317 1 6 . 1 1 34 34 GLU N N 34 120.906 120.906 120.001 0.905 18412 2318 1 6 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.048 0.157 18412 2319 1 6 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.460 -0.760 18412 2320 1 6 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.103 -0.391 18412 2321 1 6 . 1 1 34 34 GLU H H 34 9.336 9.336 8.771 0.565 18412 2322 1 6 . 1 1 35 35 LYS N N 35 117.698 117.698 116.966 0.732 18412 2323 1 6 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.262 0.085 18412 2324 1 6 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.682 -2.222 18412 2325 1 6 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.673 0.584 18412 2326 1 6 . 1 1 35 35 LYS H H 35 7.659 7.659 7.748 -0.089 18412 2327 1 6 . 1 1 36 36 SER N N 36 114.472 114.472 115.916 -1.444 18412 2328 1 6 . 1 1 36 36 SER HA H 36 3.652 3.652 3.953 -0.301 18412 2329 1 6 . 1 1 36 36 SER CA C 36 61.450 61.450 61.612 -0.162 18412 2330 1 6 . 1 1 36 36 SER CB C 36 62.820 62.820 62.936 -0.116 18412 2331 1 6 . 1 1 36 36 SER H H 36 7.732 7.732 8.435 -0.703 18412 2332 1 6 . 1 1 37 37 GLU N N 37 118.258 118.258 119.716 -1.458 18412 2333 1 6 . 1 1 37 37 GLU HA H 37 3.970 3.970 3.923 0.047 18412 2334 1 6 . 1 1 37 37 GLU CA C 37 58.113 58.113 59.104 -0.991 18412 2335 1 6 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.662 -0.117 18412 2336 1 6 . 1 1 37 37 GLU H H 37 8.187 8.187 7.924 0.263 18412 2337 1 6 . 1 1 38 38 GLU N N 38 115.652 115.652 115.061 0.591 18412 2338 1 6 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.173 0.023 18412 2339 1 6 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.056 0.438 18412 2340 1 6 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.487 0.615 18412 2341 1 6 . 1 1 38 38 GLU H H 38 7.472 7.472 7.884 -0.412 18412 2342 1 6 . 1 1 39 39 ILE N N 39 121.367 121.367 123.107 -1.740 18412 2343 1 6 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.103 -0.118 18412 2344 1 6 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.651 -0.732 18412 2345 1 6 . 1 1 39 39 ILE CB C 39 37.404 37.404 36.590 0.814 18412 2346 1 6 . 1 1 39 39 ILE H H 39 7.504 7.504 7.213 0.291 18412 2347 1 6 . 1 1 40 40 THR N N 40 115.102 115.102 122.194 -7.092 18412 2348 1 6 . 1 1 40 40 THR HA H 40 4.459 4.459 4.271 0.188 18412 2349 1 6 . 1 1 40 40 THR CA C 40 61.169 61.169 62.992 -1.823 18412 2350 1 6 . 1 1 40 40 THR CB C 40 69.913 69.913 69.164 0.749 18412 2351 1 6 . 1 1 40 40 THR H H 40 8.173 8.173 8.251 -0.078 18412 2352 1 6 . 1 1 41 41 THR N N 41 108.664 108.664 111.498 -2.834 18412 2353 1 6 . 1 1 41 41 THR HA H 41 4.602 4.602 4.559 0.043 18412 2354 1 6 . 1 1 41 41 THR CA C 41 59.116 59.116 59.414 -0.298 18412 2355 1 6 . 1 1 41 41 THR CB C 41 73.442 73.442 71.052 2.390 18412 2356 1 6 . 1 1 41 41 THR H H 41 7.104 7.104 7.481 -0.377 18412 2357 1 6 . 1 1 42 42 GLY N N 42 109.200 109.200 111.614 -2.414 18412 2358 1 6 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.503 0.008 18412 2359 1 6 . 1 1 42 42 GLY H H 42 9.196 9.196 9.054 0.142 18412 2360 1 6 . 1 1 43 43 SER N N 43 114.564 114.564 117.647 -3.083 18412 2361 1 6 . 1 1 43 43 SER HA H 43 4.360 4.360 4.245 0.115 18412 2362 1 6 . 1 1 43 43 SER CA C 43 61.523 61.523 62.112 -0.589 18412 2363 1 6 . 1 1 43 43 SER CB C 43 62.448 62.448 63.022 -0.573 18412 2364 1 6 . 1 1 43 43 SER H H 43 8.208 8.208 8.347 -0.139 18412 2365 1 6 . 1 1 44 44 ALA N N 44 123.757 123.757 124.466 -0.709 18412 2366 1 6 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.264 0.017 18412 2367 1 6 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.722 -0.196 18412 2368 1 6 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.121 1.212 18412 2369 1 6 . 1 1 44 44 ALA H H 44 7.964 7.964 8.175 -0.211 18412 2370 1 6 . 1 1 45 45 TRP N N 45 122.904 122.904 120.737 2.167 18412 2371 1 6 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.391 -0.163 18412 2372 1 6 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.232 1.398 18412 2373 1 6 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.242 -1.718 18412 2374 1 6 . 1 1 45 45 TRP H H 45 8.001 8.001 8.099 -0.098 18412 2375 1 6 . 1 1 46 46 PHE N N 46 116.699 116.699 118.383 -1.684 18412 2376 1 6 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.613 0.273 18412 2377 1 6 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.061 -0.369 18412 2378 1 6 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.032 -0.187 18412 2379 1 6 . 1 1 46 46 PHE H H 46 8.250 8.250 8.778 -0.528 18412 2380 1 6 . 1 1 47 47 SER N N 47 113.740 113.740 115.812 -2.072 18412 2381 1 6 . 1 1 47 47 SER HA H 47 4.419 4.419 4.493 -0.074 18412 2382 1 6 . 1 1 47 47 SER CA C 47 61.723 61.723 61.525 0.198 18412 2383 1 6 . 1 1 47 47 SER CB C 47 62.769 62.769 62.640 0.129 18412 2384 1 6 . 1 1 47 47 SER H H 47 8.331 8.331 8.814 -0.483 18412 2385 1 6 . 1 1 48 48 PHE N N 48 124.310 124.310 124.408 -0.098 18412 2386 1 6 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.175 0.077 18412 2387 1 6 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.058 0.729 18412 2388 1 6 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.724 0.207 18412 2389 1 6 . 1 1 48 48 PHE H H 48 8.175 8.175 7.900 0.275 18412 2390 1 6 . 1 1 49 49 LEU N N 49 120.565 120.565 120.359 0.206 18412 2391 1 6 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.252 0.270 18412 2392 1 6 . 1 1 49 49 LEU CA C 49 58.233 58.233 57.938 0.295 18412 2393 1 6 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.277 0.248 18412 2394 1 6 . 1 1 49 49 LEU H H 49 8.212 8.212 8.485 -0.273 18412 2395 1 6 . 1 1 50 50 GLU N N 50 120.639 120.639 117.998 2.641 18412 2396 1 6 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.149 0.427 18412 2397 1 6 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.952 0.224 18412 2398 1 6 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.444 1.180 18412 2399 1 6 . 1 1 50 50 GLU H H 50 8.702 8.702 8.608 0.094 18412 2400 1 6 . 1 1 51 51 SER N N 51 116.044 116.044 113.146 2.898 18412 2401 1 6 . 1 1 51 51 SER HA H 51 4.178 4.178 4.261 -0.083 18412 2402 1 6 . 1 1 51 51 SER CA C 51 60.575 60.575 60.475 0.100 18412 2403 1 6 . 1 1 51 51 SER CB C 51 62.881 62.881 63.613 -0.732 18412 2404 1 6 . 1 1 51 51 SER H H 51 8.272 8.272 7.584 0.688 18412 2405 1 6 . 1 1 52 52 HIS N N 52 118.134 118.134 118.347 -0.213 18412 2406 1 6 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.546 -0.142 18412 2407 1 6 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.851 2.566 18412 2408 1 6 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.270 -2.850 18412 2409 1 6 . 1 1 52 52 HIS H H 52 7.217 7.217 7.231 -0.014 18412 2410 1 6 . 1 1 53 53 ASN N N 53 113.597 113.597 119.067 -5.470 18412 2411 1 6 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.590 -0.080 18412 2412 1 6 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.179 1.626 18412 2413 1 6 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.839 -1.076 18412 2414 1 6 . 1 1 53 53 ASN H H 53 7.893 7.893 8.684 -0.791 18412 2415 1 6 . 1 1 54 54 LYS N N 54 113.123 113.123 118.355 -5.232 18412 2416 1 6 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.249 -0.014 18412 2417 1 6 . 1 1 54 54 LYS CA C 54 54.263 54.263 54.405 -0.142 18412 2418 1 6 . 1 1 54 54 LYS CB C 54 33.545 33.545 32.495 1.050 18412 2419 1 6 . 1 1 54 54 LYS H H 54 8.082 8.082 7.596 0.486 18412 2420 1 6 . 1 1 55 55 LEU N N 55 120.215 120.215 119.704 0.511 18412 2421 1 6 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.510 0.145 18412 2422 1 6 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.050 0.217 18412 2423 1 6 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.692 2.685 18412 2424 1 6 . 1 1 55 55 LEU H H 55 6.882 6.882 7.292 -0.410 18412 2425 1 6 . 1 1 56 56 ASP N N 56 120.831 120.831 127.323 -6.492 18412 2426 1 6 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.674 -0.282 18412 2427 1 6 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.550 0.116 18412 2428 1 6 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.549 -0.234 18412 2429 1 6 . 1 1 56 56 ASP H H 56 8.078 8.078 8.431 -0.353 18412 2430 1 6 . 1 1 57 57 LYS N N 57 115.203 115.203 119.565 -4.362 18412 2431 1 6 . 1 1 57 57 LYS HA H 57 3.365 3.365 3.950 -0.585 18412 2432 1 6 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.349 -0.697 18412 2433 1 6 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.242 -0.924 18412 2434 1 6 . 1 1 57 57 LYS H H 57 7.958 7.958 8.558 -0.600 18412 2435 1 6 . 1 1 58 58 ASP N N 58 118.074 118.074 116.345 1.729 18412 2436 1 6 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.364 0.593 18412 2437 1 6 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.980 -0.697 18412 2438 1 6 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.240 1.819 18412 2439 1 6 . 1 1 58 58 ASP H H 58 8.336 8.336 8.216 0.120 18412 2440 1 6 . 1 1 59 59 ASN N N 59 119.835 119.835 118.487 1.348 18412 2441 1 6 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.683 0.277 18412 2442 1 6 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.493 -0.764 18412 2443 1 6 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.902 -0.025 18412 2444 1 6 . 1 1 59 59 ASN H H 59 7.850 7.850 8.181 -0.331 18412 2445 1 6 . 1 1 60 60 LEU N N 60 125.541 125.541 120.843 4.698 18412 2446 1 6 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.995 -0.435 18412 2447 1 6 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.602 -2.354 18412 2448 1 6 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.877 -0.687 18412 2449 1 6 . 1 1 60 60 LEU H H 60 8.995 8.995 8.414 0.581 18412 2450 1 6 . 1 1 61 61 SER N N 61 114.344 114.344 118.043 -3.699 18412 2451 1 6 . 1 1 61 61 SER HA H 61 4.159 4.159 4.145 0.014 18412 2452 1 6 . 1 1 61 61 SER CA C 61 62.002 62.002 62.761 -0.759 18412 2453 1 6 . 1 1 61 61 SER CB C 61 62.987 62.987 62.679 0.308 18412 2454 1 6 . 1 1 61 61 SER H H 61 7.880 7.880 8.629 -0.749 18412 2455 1 6 . 1 1 62 62 TYR N N 62 125.087 125.087 122.747 2.340 18412 2456 1 6 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.238 0.061 18412 2457 1 6 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.950 0.255 18412 2458 1 6 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.353 0.572 18412 2459 1 6 . 1 1 62 62 TYR H H 62 8.765 8.765 8.313 0.452 18412 2460 1 6 . 1 1 63 63 ILE N N 63 111.338 111.338 116.091 -4.753 18412 2461 1 6 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.809 -0.167 18412 2462 1 6 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.158 0.960 18412 2463 1 6 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.167 -0.784 18412 2464 1 6 . 1 1 63 63 ILE H H 63 7.631 7.631 7.904 -0.273 18412 2465 1 6 . 1 1 64 64 GLU N N 64 121.049 121.049 122.313 -1.264 18412 2466 1 6 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.073 -0.348 18412 2467 1 6 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.203 0.692 18412 2468 1 6 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.610 0.628 18412 2469 1 6 . 1 1 64 64 GLU H H 64 7.987 7.987 8.432 -0.445 18412 2470 1 6 . 1 1 65 65 HIS N N 65 117.657 117.657 119.145 -1.488 18412 2471 1 6 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.280 0.158 18412 2472 1 6 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.530 -0.508 18412 2473 1 6 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.590 -1.003 18412 2474 1 6 . 1 1 65 65 HIS H H 65 7.513 7.513 7.924 -0.411 18412 2475 1 6 . 1 1 66 66 ILE N N 66 118.281 118.281 119.057 -0.776 18412 2476 1 6 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.402 0.025 18412 2477 1 6 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.514 -1.776 18412 2478 1 6 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.133 -1.047 18412 2479 1 6 . 1 1 66 66 ILE H H 66 7.924 7.924 7.464 0.460 18412 2480 1 6 . 1 1 67 67 PHE N N 67 121.084 121.084 117.002 4.082 18412 2481 1 6 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.160 0.306 18412 2482 1 6 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.253 -3.571 18412 2483 1 6 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.565 -0.887 18412 2484 1 6 . 1 1 67 67 PHE H H 67 8.737 8.737 8.146 0.591 18412 2485 1 6 . 1 1 68 68 GLU N N 68 120.739 120.739 119.738 1.001 18412 2486 1 6 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.105 -0.019 18412 2487 1 6 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.594 1.506 18412 2488 1 6 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.591 0.144 18412 2489 1 6 . 1 1 68 68 GLU H H 68 8.228 8.228 7.634 0.594 18412 2490 1 6 . 1 1 69 69 ILE N N 69 117.535 117.535 114.356 3.179 18412 2491 1 6 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.864 0.176 18412 2492 1 6 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.081 1.150 18412 2493 1 6 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.790 -0.163 18412 2494 1 6 . 1 1 69 69 ILE H H 69 8.393 8.393 7.849 0.544 18412 2495 1 6 . 1 1 70 70 SER N N 70 115.058 115.058 116.635 -1.577 18412 2496 1 6 . 1 1 70 70 SER HA H 70 4.419 4.419 4.358 0.061 18412 2497 1 6 . 1 1 70 70 SER CA C 70 58.502 58.502 58.193 0.309 18412 2498 1 6 . 1 1 70 70 SER CB C 70 63.029 63.029 64.114 -1.085 18412 2499 1 6 . 1 1 70 70 SER H H 70 7.857 7.857 7.647 0.210 18412 2500 1 6 . 1 1 71 71 ARG N N 71 115.621 115.621 125.543 -9.922 18412 2501 1 6 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.256 -0.354 18412 2502 1 6 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.106 0.346 18412 2503 1 6 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.846 -1.496 18412 2504 1 6 . 1 1 71 71 ARG H H 71 7.753 7.753 8.729 -0.976 18412 2505 1 6 . 1 1 72 72 ARG N N 72 115.226 115.226 120.351 -5.125 18412 2506 1 6 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.832 0.242 18412 2507 1 6 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.841 -4.228 18412 2508 1 6 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.221 -1.659 18412 2509 1 6 . 1 1 72 72 ARG H H 72 8.006 8.006 8.341 -0.335 18412 2510 1 6 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.484 -0.147 18412 2511 1 6 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.481 0.217 18412 2512 1 6 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.860 -0.530 18412 2513 1 6 . 1 1 74 74 ASP N N 74 118.600 118.600 118.234 0.366 18412 2514 1 6 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.435 -0.255 18412 2515 1 6 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.221 -1.232 18412 2516 1 6 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.024 -1.989 18412 2517 1 6 . 1 1 74 74 ASP H H 74 9.152 9.152 8.645 0.507 18412 2518 1 6 . 1 1 75 75 LEU N N 75 120.762 120.762 119.644 1.118 18412 2519 1 6 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.946 -0.039 18412 2520 1 6 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.174 -0.812 18412 2521 1 6 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.335 -2.696 18412 2522 1 6 . 1 1 75 75 LEU H H 75 7.044 7.044 7.394 -0.350 18412 2523 1 6 . 1 1 76 76 LEU N N 76 118.917 118.917 120.346 -1.429 18412 2524 1 6 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.994 0.124 18412 2525 1 6 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.835 0.018 18412 2526 1 6 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.495 1.111 18412 2527 1 6 . 1 1 76 76 LEU H H 76 7.850 7.850 7.584 0.266 18412 2528 1 6 . 1 1 77 77 THR N N 77 114.574 114.574 115.272 -0.698 18412 2529 1 6 . 1 1 77 77 THR HA H 77 3.830 3.830 3.957 -0.127 18412 2530 1 6 . 1 1 77 77 THR CA C 77 66.882 66.882 67.234 -0.351 18412 2531 1 6 . 1 1 77 77 THR CB C 77 68.991 68.991 68.247 0.744 18412 2532 1 6 . 1 1 77 77 THR H H 77 8.287 8.287 8.066 0.221 18412 2533 1 6 . 1 1 78 78 MET N N 78 118.873 118.873 118.482 0.391 18412 2534 1 6 . 1 1 78 78 MET HA H 78 4.155 4.155 4.246 -0.091 18412 2535 1 6 . 1 1 78 78 MET CA C 78 59.838 59.838 58.317 1.521 18412 2536 1 6 . 1 1 78 78 MET CB C 78 32.697 32.697 31.305 1.392 18412 2537 1 6 . 1 1 78 78 MET H H 78 7.032 7.032 7.528 -0.496 18412 2538 1 6 . 1 1 79 79 VAL N N 79 120.046 120.046 119.689 0.357 18412 2539 1 6 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.812 -0.091 18412 2540 1 6 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.375 0.606 18412 2541 1 6 . 1 1 79 79 VAL CB C 79 32.032 32.032 30.936 1.097 18412 2542 1 6 . 1 1 79 79 VAL H H 79 7.633 7.633 7.629 0.004 18412 2543 1 6 . 1 1 80 80 VAL N N 80 121.510 121.510 120.937 0.573 18412 2544 1 6 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.660 -0.119 18412 2545 1 6 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.684 -0.579 18412 2546 1 6 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.268 0.579 18412 2547 1 6 . 1 1 80 80 VAL H H 80 8.601 8.601 8.615 -0.014 18412 2548 1 6 . 1 1 81 81 ASP N N 81 121.760 121.760 120.085 1.675 18412 2549 1 6 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.313 0.040 18412 2550 1 6 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.215 0.461 18412 2551 1 6 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.758 -0.188 18412 2552 1 6 . 1 1 81 81 ASP H H 81 8.677 8.677 8.592 0.085 18412 2553 1 6 . 1 1 82 82 TYR N N 82 121.025 121.025 121.354 -0.329 18412 2554 1 6 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.066 0.121 18412 2555 1 6 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.384 0.119 18412 2556 1 6 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.507 0.116 18412 2557 1 6 . 1 1 82 82 TYR H H 82 7.608 7.608 8.191 -0.583 18412 2558 1 6 . 1 1 83 83 ARG N N 83 119.379 119.379 118.765 0.614 18412 2559 1 6 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.749 -0.078 18412 2560 1 6 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.610 0.267 18412 2561 1 6 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.775 0.603 18412 2562 1 6 . 1 1 83 83 ARG H H 83 8.596 8.596 8.363 0.233 18412 2563 1 6 . 1 1 84 84 THR N N 84 113.330 113.330 116.273 -2.943 18412 2564 1 6 . 1 1 84 84 THR HA H 84 3.946 3.946 3.997 -0.051 18412 2565 1 6 . 1 1 84 84 THR CA C 84 65.316 65.316 67.128 -1.812 18412 2566 1 6 . 1 1 84 84 THR CB C 84 69.273 69.273 68.805 0.468 18412 2567 1 6 . 1 1 84 84 THR H H 84 8.305 8.305 7.828 0.477 18412 2568 1 6 . 1 1 85 85 ARG N N 85 121.457 121.457 122.355 -0.898 18412 2569 1 6 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.048 0.009 18412 2570 1 6 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.253 -0.348 18412 2571 1 6 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.332 1.473 18412 2572 1 6 . 1 1 85 85 ARG H H 85 7.949 7.949 8.541 -0.592 18412 2573 1 6 . 1 1 86 86 VAL N N 86 117.232 117.232 119.797 -2.565 18412 2574 1 6 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.684 0.113 18412 2575 1 6 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.555 -2.292 18412 2576 1 6 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.401 0.306 18412 2577 1 6 . 1 1 86 86 VAL H H 86 7.962 7.962 7.804 0.158 18412 2578 1 6 . 1 1 87 87 LEU N N 87 120.870 120.870 121.856 -0.986 18412 2579 1 6 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.986 0.172 18412 2580 1 6 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.023 -1.967 18412 2581 1 6 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.635 0.098 18412 2582 1 6 . 1 1 87 87 LEU H H 87 7.463 7.463 7.304 0.159 18412 2583 1 6 . 1 1 88 88 LYS N N 88 118.925 118.925 118.885 0.040 18412 2584 1 6 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.151 0.017 18412 2585 1 6 . 1 1 88 88 LYS CA C 88 56.689 56.689 57.962 -1.273 18412 2586 1 6 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.638 -0.516 18412 2587 1 6 . 1 1 88 88 LYS H H 88 7.602 7.602 8.025 -0.423 18412 2588 1 6 . 1 1 89 89 ILE N N 89 120.845 120.845 119.209 1.636 18412 2589 1 6 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.880 0.169 18412 2590 1 6 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.885 -1.018 18412 2591 1 6 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.549 0.111 18412 2592 1 6 . 1 1 89 89 ILE H H 89 7.882 7.882 7.893 -0.011 18412 2593 1 7 . 1 1 2 2 ALA N N 2 124.384 124.384 124.261 0.123 18412 2594 1 7 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.108 0.091 18412 2595 1 7 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.302 -0.650 18412 2596 1 7 . 1 1 2 2 ALA CB C 2 18.385 18.385 18.515 -0.130 18412 2597 1 7 . 1 1 2 2 ALA H H 2 8.326 8.326 8.835 -0.509 18412 2598 1 7 . 1 1 3 3 GLU N N 3 118.800 118.800 118.044 0.756 18412 2599 1 7 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.092 0.106 18412 2600 1 7 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.806 -0.402 18412 2601 1 7 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.885 0.671 18412 2602 1 7 . 1 1 3 3 GLU H H 3 8.411 8.411 9.097 -0.686 18412 2603 1 7 . 1 1 4 4 TYR N N 4 123.838 123.838 120.198 3.640 18412 2604 1 7 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.679 0.325 18412 2605 1 7 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.563 0.069 18412 2606 1 7 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.469 0.933 18412 2607 1 7 . 1 1 4 4 TYR H H 4 8.448 8.448 8.544 -0.096 18412 2608 1 7 . 1 1 5 5 GLY N N 5 105.816 105.816 106.146 -0.330 18412 2609 1 7 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.472 -0.330 18412 2610 1 7 . 1 1 5 5 GLY H H 5 8.250 8.250 8.316 -0.066 18412 2611 1 7 . 1 1 6 6 THR N N 6 119.523 119.523 119.191 0.332 18412 2612 1 7 . 1 1 6 6 THR HA H 6 3.802 3.802 4.131 -0.329 18412 2613 1 7 . 1 1 6 6 THR CA C 6 66.449 66.449 65.499 0.950 18412 2614 1 7 . 1 1 6 6 THR CB C 6 68.391 68.391 68.644 -0.253 18412 2615 1 7 . 1 1 6 6 THR H H 6 7.868 7.868 7.933 -0.065 18412 2616 1 7 . 1 1 7 7 LEU N N 7 123.502 123.502 123.496 0.006 18412 2617 1 7 . 1 1 7 7 LEU HA H 7 4.239 4.239 4.088 0.151 18412 2618 1 7 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.841 0.384 18412 2619 1 7 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.106 -1.353 18412 2620 1 7 . 1 1 7 7 LEU H H 7 7.594 7.594 8.170 -0.576 18412 2621 1 7 . 1 1 8 8 LEU N N 8 115.222 115.222 117.591 -2.369 18412 2622 1 7 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.276 -0.003 18412 2623 1 7 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.084 0.050 18412 2624 1 7 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.854 0.282 18412 2625 1 7 . 1 1 8 8 LEU H H 8 7.654 7.654 7.486 0.168 18412 2626 1 7 . 1 1 9 9 GLN N N 9 120.743 120.743 118.854 1.889 18412 2627 1 7 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.927 -0.048 18412 2628 1 7 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.216 -0.440 18412 2629 1 7 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.065 0.863 18412 2630 1 7 . 1 1 9 9 GLN H H 9 7.688 7.688 7.492 0.196 18412 2631 1 7 . 1 1 10 10 ASP N N 10 122.554 122.554 120.588 1.966 18412 2632 1 7 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.333 0.000 18412 2633 1 7 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.568 0.109 18412 2634 1 7 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.526 -0.589 18412 2635 1 7 . 1 1 10 10 ASP H H 10 8.656 8.656 8.178 0.478 18412 2636 1 7 . 1 1 11 11 LEU N N 11 119.408 119.408 117.654 1.754 18412 2637 1 7 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.191 -0.305 18412 2638 1 7 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.995 0.490 18412 2639 1 7 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.113 2.140 18412 2640 1 7 . 1 1 11 11 LEU H H 11 8.805 8.805 7.713 1.092 18412 2641 1 7 . 1 1 12 12 THR N N 12 113.945 113.945 115.625 -1.680 18412 2642 1 7 . 1 1 12 12 THR HA H 12 3.875 3.875 4.070 -0.195 18412 2643 1 7 . 1 1 12 12 THR CA C 12 67.829 67.829 66.307 1.522 18412 2644 1 7 . 1 1 12 12 THR CB C 12 68.521 68.521 68.109 0.412 18412 2645 1 7 . 1 1 12 12 THR H H 12 8.305 8.305 8.115 0.190 18412 2646 1 7 . 1 1 13 13 ASN N N 13 119.138 119.138 118.530 0.608 18412 2647 1 7 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.528 0.062 18412 2648 1 7 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.758 -1.108 18412 2649 1 7 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.192 0.071 18412 2650 1 7 . 1 1 13 13 ASN H H 13 8.180 8.180 8.544 -0.364 18412 2651 1 7 . 1 1 14 14 ASN N N 14 117.905 117.905 115.363 2.542 18412 2652 1 7 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.691 0.135 18412 2653 1 7 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.140 0.218 18412 2654 1 7 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.388 2.070 18412 2655 1 7 . 1 1 14 14 ASN H H 14 7.778 7.778 7.585 0.193 18412 2656 1 7 . 1 1 15 15 ILE N N 15 120.690 120.690 122.515 -1.825 18412 2657 1 7 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.078 0.633 18412 2658 1 7 . 1 1 15 15 ILE CA C 15 60.877 60.877 61.056 -0.179 18412 2659 1 7 . 1 1 15 15 ILE CB C 15 41.344 41.344 37.170 4.174 18412 2660 1 7 . 1 1 15 15 ILE H H 15 7.234 7.234 7.351 -0.117 18412 2661 1 7 . 1 1 16 16 THR N N 16 120.066 120.066 119.506 0.560 18412 2662 1 7 . 1 1 16 16 THR HA H 16 4.536 4.536 4.493 0.043 18412 2663 1 7 . 1 1 16 16 THR CA C 16 60.804 60.804 60.087 0.717 18412 2664 1 7 . 1 1 16 16 THR CB C 16 71.263 71.263 70.993 0.270 18412 2665 1 7 . 1 1 16 16 THR H H 16 9.188 9.188 8.258 0.930 18412 2666 1 7 . 1 1 17 17 LEU N N 17 121.043 121.043 125.275 -4.232 18412 2667 1 7 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.928 0.068 18412 2668 1 7 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.487 0.206 18412 2669 1 7 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.901 -0.574 18412 2670 1 7 . 1 1 17 17 LEU H H 17 8.662 8.662 8.881 -0.219 18412 2671 1 7 . 1 1 18 18 GLU N N 18 118.968 118.968 117.621 1.347 18412 2672 1 7 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.940 0.007 18412 2673 1 7 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.767 0.219 18412 2674 1 7 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.064 0.084 18412 2675 1 7 . 1 1 18 18 GLU H H 18 8.374 8.374 8.542 -0.168 18412 2676 1 7 . 1 1 19 19 ASP N N 19 121.542 121.542 120.891 0.651 18412 2677 1 7 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.348 -0.205 18412 2678 1 7 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.118 -0.527 18412 2679 1 7 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.431 0.881 18412 2680 1 7 . 1 1 19 19 ASP H H 19 7.857 7.857 8.399 -0.542 18412 2681 1 7 . 1 1 20 20 LEU N N 20 120.904 120.904 120.935 -0.031 18412 2682 1 7 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.769 -0.352 18412 2683 1 7 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.135 -1.221 18412 2684 1 7 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.618 -0.516 18412 2685 1 7 . 1 1 20 20 LEU H H 20 8.412 8.412 8.279 0.133 18412 2686 1 7 . 1 1 21 21 GLU N N 21 117.187 117.187 118.020 -0.833 18412 2687 1 7 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.766 0.032 18412 2688 1 7 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.316 -0.045 18412 2689 1 7 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.683 0.234 18412 2690 1 7 . 1 1 21 21 GLU H H 21 7.462 7.462 7.857 -0.395 18412 2691 1 7 . 1 1 22 22 GLN N N 22 118.617 118.617 120.249 -1.632 18412 2692 1 7 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.067 -0.048 18412 2693 1 7 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.670 -0.083 18412 2694 1 7 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.627 -0.392 18412 2695 1 7 . 1 1 22 22 GLN H H 22 7.135 7.135 7.747 -0.612 18412 2696 1 7 . 1 1 23 23 LEU N N 23 121.325 121.325 120.527 0.798 18412 2697 1 7 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.795 -0.090 18412 2698 1 7 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.761 0.023 18412 2699 1 7 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.230 -1.610 18412 2700 1 7 . 1 1 23 23 LEU H H 23 7.833 7.833 7.817 0.016 18412 2701 1 7 . 1 1 24 24 LYS N N 24 116.045 116.045 118.944 -2.899 18412 2702 1 7 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.625 0.025 18412 2703 1 7 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.015 1.530 18412 2704 1 7 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.687 0.125 18412 2705 1 7 . 1 1 24 24 LYS H H 24 8.307 8.307 8.335 -0.028 18412 2706 1 7 . 1 1 25 25 SER N N 25 116.071 116.071 115.199 0.872 18412 2707 1 7 . 1 1 25 25 SER HA H 25 4.111 4.111 4.075 0.036 18412 2708 1 7 . 1 1 25 25 SER CA C 25 61.557 61.557 61.653 -0.096 18412 2709 1 7 . 1 1 25 25 SER CB C 25 62.565 62.565 62.737 -0.172 18412 2710 1 7 . 1 1 25 25 SER H H 25 7.781 7.781 7.959 -0.178 18412 2711 1 7 . 1 1 26 26 ALA N N 26 123.448 123.448 124.608 -1.160 18412 2712 1 7 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.137 0.038 18412 2713 1 7 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.862 -0.613 18412 2714 1 7 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.449 0.264 18412 2715 1 7 . 1 1 26 26 ALA H H 26 7.735 7.735 7.848 -0.113 18412 2716 1 7 . 1 1 27 27 CYS N N 27 113.480 113.480 115.940 -2.460 18412 2717 1 7 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.415 0.216 18412 2718 1 7 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.607 -1.226 18412 2719 1 7 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.674 1.960 18412 2720 1 7 . 1 1 27 27 CYS H H 27 7.390 7.390 8.249 -0.859 18412 2721 1 7 . 1 1 28 28 LYS N N 28 118.354 118.354 120.962 -2.608 18412 2722 1 7 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.011 -0.066 18412 2723 1 7 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.297 -0.877 18412 2724 1 7 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.565 -0.018 18412 2725 1 7 . 1 1 28 28 LYS H H 28 7.634 7.634 7.307 0.327 18412 2726 1 7 . 1 1 29 29 GLU N N 29 118.875 118.875 117.994 0.881 18412 2727 1 7 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.262 -0.105 18412 2728 1 7 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.355 -0.114 18412 2729 1 7 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.657 -0.793 18412 2730 1 7 . 1 1 29 29 GLU H H 29 8.552 8.552 8.437 0.115 18412 2731 1 7 . 1 1 30 30 ASP N N 30 117.610 117.610 118.064 -0.454 18412 2732 1 7 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.590 -0.002 18412 2733 1 7 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.553 0.330 18412 2734 1 7 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.624 -0.097 18412 2735 1 7 . 1 1 30 30 ASP H H 30 7.962 7.962 8.202 -0.240 18412 2736 1 7 . 1 1 31 31 ILE N N 31 116.930 116.930 122.007 -5.077 18412 2737 1 7 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.619 -0.252 18412 2738 1 7 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.659 0.374 18412 2739 1 7 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.701 -0.932 18412 2740 1 7 . 1 1 31 31 ILE H H 31 7.317 7.317 8.222 -0.905 18412 2741 1 7 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.533 -0.072 18412 2742 1 7 . 1 1 32 32 PRO CA C 32 62.845 62.845 63.225 -0.380 18412 2743 1 7 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.444 0.070 18412 2744 1 7 . 1 1 33 33 SER N N 33 119.808 119.808 120.205 -0.397 18412 2745 1 7 . 1 1 33 33 SER HA H 33 4.141 4.141 3.956 0.185 18412 2746 1 7 . 1 1 33 33 SER CA C 33 61.125 61.125 62.019 -0.894 18412 2747 1 7 . 1 1 33 33 SER CB C 33 63.000 63.000 63.071 -0.071 18412 2748 1 7 . 1 1 33 33 SER H H 33 8.778 8.778 8.856 -0.078 18412 2749 1 7 . 1 1 34 34 GLU N N 34 120.906 120.906 118.914 1.992 18412 2750 1 7 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.094 0.111 18412 2751 1 7 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.445 -0.745 18412 2752 1 7 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.390 -0.678 18412 2753 1 7 . 1 1 34 34 GLU H H 34 9.336 9.336 8.660 0.676 18412 2754 1 7 . 1 1 35 35 LYS N N 35 117.698 117.698 117.932 -0.234 18412 2755 1 7 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.971 0.376 18412 2756 1 7 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.789 -2.329 18412 2757 1 7 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.535 0.722 18412 2758 1 7 . 1 1 35 35 LYS H H 35 7.659 7.659 7.816 -0.157 18412 2759 1 7 . 1 1 36 36 SER N N 36 114.472 114.472 115.915 -1.443 18412 2760 1 7 . 1 1 36 36 SER HA H 36 3.652 3.652 3.951 -0.299 18412 2761 1 7 . 1 1 36 36 SER CA C 36 61.450 61.450 61.412 0.038 18412 2762 1 7 . 1 1 36 36 SER CB C 36 62.820 62.820 62.761 0.059 18412 2763 1 7 . 1 1 36 36 SER H H 36 7.732 7.732 8.644 -0.912 18412 2764 1 7 . 1 1 37 37 GLU N N 37 118.258 118.258 121.293 -3.035 18412 2765 1 7 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.038 -0.068 18412 2766 1 7 . 1 1 37 37 GLU CA C 37 58.113 58.113 59.010 -0.897 18412 2767 1 7 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.252 0.293 18412 2768 1 7 . 1 1 37 37 GLU H H 37 8.187 8.187 7.711 0.476 18412 2769 1 7 . 1 1 38 38 GLU N N 38 115.652 115.652 116.531 -0.879 18412 2770 1 7 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.295 -0.099 18412 2771 1 7 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.355 0.140 18412 2772 1 7 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.480 0.622 18412 2773 1 7 . 1 1 38 38 GLU H H 38 7.472 7.472 7.849 -0.377 18412 2774 1 7 . 1 1 39 39 ILE N N 39 121.367 121.367 123.646 -2.279 18412 2775 1 7 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.171 -0.186 18412 2776 1 7 . 1 1 39 39 ILE CA C 39 60.919 60.919 60.992 -0.073 18412 2777 1 7 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.803 1.601 18412 2778 1 7 . 1 1 39 39 ILE H H 39 7.504 7.504 7.339 0.165 18412 2779 1 7 . 1 1 40 40 THR N N 40 115.102 115.102 118.126 -3.024 18412 2780 1 7 . 1 1 40 40 THR HA H 40 4.459 4.459 4.346 0.113 18412 2781 1 7 . 1 1 40 40 THR CA C 40 61.169 61.169 62.831 -1.662 18412 2782 1 7 . 1 1 40 40 THR CB C 40 69.913 69.913 68.743 1.170 18412 2783 1 7 . 1 1 40 40 THR H H 40 8.173 8.173 8.016 0.157 18412 2784 1 7 . 1 1 41 41 THR N N 41 108.664 108.664 113.027 -4.363 18412 2785 1 7 . 1 1 41 41 THR HA H 41 4.602 4.602 4.477 0.125 18412 2786 1 7 . 1 1 41 41 THR CA C 41 59.116 59.116 60.508 -1.392 18412 2787 1 7 . 1 1 41 41 THR CB C 41 73.442 73.442 70.706 2.736 18412 2788 1 7 . 1 1 41 41 THR H H 41 7.104 7.104 7.351 -0.247 18412 2789 1 7 . 1 1 42 42 GLY N N 42 109.200 109.200 111.451 -2.251 18412 2790 1 7 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.252 0.259 18412 2791 1 7 . 1 1 42 42 GLY H H 42 9.196 9.196 9.000 0.196 18412 2792 1 7 . 1 1 43 43 SER N N 43 114.564 114.564 117.754 -3.190 18412 2793 1 7 . 1 1 43 43 SER HA H 43 4.360 4.360 4.347 0.013 18412 2794 1 7 . 1 1 43 43 SER CA C 43 61.523 61.523 61.250 0.273 18412 2795 1 7 . 1 1 43 43 SER CB C 43 62.448 62.448 63.172 -0.724 18412 2796 1 7 . 1 1 43 43 SER H H 43 8.208 8.208 8.340 -0.132 18412 2797 1 7 . 1 1 44 44 ALA N N 44 123.757 123.757 124.396 -0.639 18412 2798 1 7 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.205 0.076 18412 2799 1 7 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.829 -0.303 18412 2800 1 7 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.278 1.055 18412 2801 1 7 . 1 1 44 44 ALA H H 44 7.964 7.964 8.044 -0.080 18412 2802 1 7 . 1 1 45 45 TRP N N 45 122.904 122.904 120.694 2.210 18412 2803 1 7 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.405 -0.177 18412 2804 1 7 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.534 1.096 18412 2805 1 7 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.231 -1.707 18412 2806 1 7 . 1 1 45 45 TRP H H 45 8.001 8.001 7.864 0.137 18412 2807 1 7 . 1 1 46 46 PHE N N 46 116.699 116.699 118.296 -1.597 18412 2808 1 7 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.603 0.283 18412 2809 1 7 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.193 -0.501 18412 2810 1 7 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.028 -0.182 18412 2811 1 7 . 1 1 46 46 PHE H H 46 8.250 8.250 8.308 -0.058 18412 2812 1 7 . 1 1 47 47 SER N N 47 113.740 113.740 115.921 -2.181 18412 2813 1 7 . 1 1 47 47 SER HA H 47 4.419 4.419 4.535 -0.116 18412 2814 1 7 . 1 1 47 47 SER CA C 47 61.723 61.723 61.575 0.148 18412 2815 1 7 . 1 1 47 47 SER CB C 47 62.769 62.769 62.708 0.061 18412 2816 1 7 . 1 1 47 47 SER H H 47 8.331 8.331 8.823 -0.492 18412 2817 1 7 . 1 1 48 48 PHE N N 48 124.310 124.310 124.377 -0.067 18412 2818 1 7 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.217 0.035 18412 2819 1 7 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.971 0.815 18412 2820 1 7 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.754 0.177 18412 2821 1 7 . 1 1 48 48 PHE H H 48 8.175 8.175 8.014 0.161 18412 2822 1 7 . 1 1 49 49 LEU N N 49 120.565 120.565 120.439 0.126 18412 2823 1 7 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.387 0.135 18412 2824 1 7 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.136 0.097 18412 2825 1 7 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.520 0.005 18412 2826 1 7 . 1 1 49 49 LEU H H 49 8.212 8.212 8.428 -0.216 18412 2827 1 7 . 1 1 50 50 GLU N N 50 120.639 120.639 117.934 2.705 18412 2828 1 7 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.249 0.327 18412 2829 1 7 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.923 0.253 18412 2830 1 7 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.551 1.073 18412 2831 1 7 . 1 1 50 50 GLU H H 50 8.702 8.702 8.709 -0.007 18412 2832 1 7 . 1 1 51 51 SER N N 51 116.044 116.044 113.061 2.983 18412 2833 1 7 . 1 1 51 51 SER HA H 51 4.178 4.178 4.297 -0.119 18412 2834 1 7 . 1 1 51 51 SER CA C 51 60.575 60.575 60.530 0.045 18412 2835 1 7 . 1 1 51 51 SER CB C 51 62.881 62.881 63.666 -0.785 18412 2836 1 7 . 1 1 51 51 SER H H 51 8.272 8.272 7.701 0.571 18412 2837 1 7 . 1 1 52 52 HIS N N 52 118.134 118.134 118.193 -0.059 18412 2838 1 7 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.608 -0.204 18412 2839 1 7 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.787 2.630 18412 2840 1 7 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.175 -2.755 18412 2841 1 7 . 1 1 52 52 HIS H H 52 7.217 7.217 7.422 -0.205 18412 2842 1 7 . 1 1 53 53 ASN N N 53 113.597 113.597 119.951 -6.354 18412 2843 1 7 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.705 -0.195 18412 2844 1 7 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.728 1.077 18412 2845 1 7 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.314 -0.551 18412 2846 1 7 . 1 1 53 53 ASN H H 53 7.893 7.893 8.858 -0.965 18412 2847 1 7 . 1 1 54 54 LYS N N 54 113.123 113.123 118.688 -5.565 18412 2848 1 7 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.417 -0.182 18412 2849 1 7 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.621 -1.358 18412 2850 1 7 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.698 -0.153 18412 2851 1 7 . 1 1 54 54 LYS H H 54 8.082 8.082 7.741 0.341 18412 2852 1 7 . 1 1 55 55 LEU N N 55 120.215 120.215 120.962 -0.747 18412 2853 1 7 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.561 0.094 18412 2854 1 7 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.092 0.175 18412 2855 1 7 . 1 1 55 55 LEU CB C 55 46.377 46.377 44.039 2.338 18412 2856 1 7 . 1 1 55 55 LEU H H 55 6.882 6.882 7.383 -0.501 18412 2857 1 7 . 1 1 56 56 ASP N N 56 120.831 120.831 127.056 -6.225 18412 2858 1 7 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.685 -0.293 18412 2859 1 7 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.993 -0.327 18412 2860 1 7 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.971 -0.657 18412 2861 1 7 . 1 1 56 56 ASP H H 56 8.078 8.078 8.626 -0.548 18412 2862 1 7 . 1 1 57 57 LYS N N 57 115.203 115.203 117.724 -2.521 18412 2863 1 7 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.084 -0.719 18412 2864 1 7 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.366 0.286 18412 2865 1 7 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.434 -1.116 18412 2866 1 7 . 1 1 57 57 LYS H H 57 7.958 7.958 8.544 -0.586 18412 2867 1 7 . 1 1 58 58 ASP N N 58 118.074 118.074 114.209 3.865 18412 2868 1 7 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.293 0.664 18412 2869 1 7 . 1 1 58 58 ASP CA C 58 54.283 54.283 53.872 0.411 18412 2870 1 7 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.632 1.427 18412 2871 1 7 . 1 1 58 58 ASP H H 58 8.336 8.336 7.818 0.518 18412 2872 1 7 . 1 1 59 59 ASN N N 59 119.835 119.835 119.030 0.805 18412 2873 1 7 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.797 0.163 18412 2874 1 7 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.680 -0.951 18412 2875 1 7 . 1 1 59 59 ASN CB C 59 38.877 38.877 39.093 -0.216 18412 2876 1 7 . 1 1 59 59 ASN H H 59 7.850 7.850 8.072 -0.222 18412 2877 1 7 . 1 1 60 60 LEU N N 60 125.541 125.541 120.068 5.473 18412 2878 1 7 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.835 -0.275 18412 2879 1 7 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.826 -2.578 18412 2880 1 7 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.498 -0.308 18412 2881 1 7 . 1 1 60 60 LEU H H 60 8.995 8.995 8.347 0.648 18412 2882 1 7 . 1 1 61 61 SER N N 61 114.344 114.344 117.513 -3.169 18412 2883 1 7 . 1 1 61 61 SER HA H 61 4.159 4.159 4.451 -0.292 18412 2884 1 7 . 1 1 61 61 SER CA C 61 62.002 62.002 61.218 0.784 18412 2885 1 7 . 1 1 61 61 SER CB C 61 62.987 62.987 62.761 0.226 18412 2886 1 7 . 1 1 61 61 SER H H 61 7.880 7.880 8.255 -0.375 18412 2887 1 7 . 1 1 62 62 TYR N N 62 125.087 125.087 121.650 3.437 18412 2888 1 7 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.295 0.004 18412 2889 1 7 . 1 1 62 62 TYR CA C 62 62.205 62.205 59.924 2.281 18412 2890 1 7 . 1 1 62 62 TYR CB C 62 38.925 38.925 37.996 0.929 18412 2891 1 7 . 1 1 62 62 TYR H H 62 8.765 8.765 8.359 0.406 18412 2892 1 7 . 1 1 63 63 ILE N N 63 111.338 111.338 116.317 -4.979 18412 2893 1 7 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.427 0.215 18412 2894 1 7 . 1 1 63 63 ILE CA C 63 65.118 65.118 63.895 1.222 18412 2895 1 7 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.913 -0.530 18412 2896 1 7 . 1 1 63 63 ILE H H 63 7.631 7.631 7.530 0.101 18412 2897 1 7 . 1 1 64 64 GLU N N 64 121.049 121.049 122.207 -1.158 18412 2898 1 7 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.089 -0.364 18412 2899 1 7 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.199 0.696 18412 2900 1 7 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.655 0.583 18412 2901 1 7 . 1 1 64 64 GLU H H 64 7.987 7.987 8.492 -0.505 18412 2902 1 7 . 1 1 65 65 HIS N N 65 117.657 117.657 119.516 -1.859 18412 2903 1 7 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.529 -0.091 18412 2904 1 7 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.340 -0.318 18412 2905 1 7 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.767 -1.180 18412 2906 1 7 . 1 1 65 65 HIS H H 65 7.513 7.513 8.076 -0.563 18412 2907 1 7 . 1 1 66 66 ILE N N 66 118.281 118.281 119.022 -0.741 18412 2908 1 7 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.497 -0.070 18412 2909 1 7 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.600 -1.862 18412 2910 1 7 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.157 -1.071 18412 2911 1 7 . 1 1 66 66 ILE H H 66 7.924 7.924 7.601 0.323 18412 2912 1 7 . 1 1 67 67 PHE N N 67 121.084 121.084 116.589 4.495 18412 2913 1 7 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.164 0.302 18412 2914 1 7 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.114 -3.432 18412 2915 1 7 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.805 -1.127 18412 2916 1 7 . 1 1 67 67 PHE H H 67 8.737 8.737 7.789 0.948 18412 2917 1 7 . 1 1 68 68 GLU N N 68 120.739 120.739 120.082 0.657 18412 2918 1 7 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.130 -0.044 18412 2919 1 7 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.133 0.967 18412 2920 1 7 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.760 -0.025 18412 2921 1 7 . 1 1 68 68 GLU H H 68 8.228 8.228 7.535 0.693 18412 2922 1 7 . 1 1 69 69 ILE N N 69 117.535 117.535 113.345 4.190 18412 2923 1 7 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.978 0.062 18412 2924 1 7 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.092 1.139 18412 2925 1 7 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.228 -0.601 18412 2926 1 7 . 1 1 69 69 ILE H H 69 8.393 8.393 7.838 0.555 18412 2927 1 7 . 1 1 70 70 SER N N 70 115.058 115.058 115.733 -0.675 18412 2928 1 7 . 1 1 70 70 SER HA H 70 4.419 4.419 4.369 0.050 18412 2929 1 7 . 1 1 70 70 SER CA C 70 58.502 58.502 57.424 1.078 18412 2930 1 7 . 1 1 70 70 SER CB C 70 63.029 63.029 63.994 -0.965 18412 2931 1 7 . 1 1 70 70 SER H H 70 7.857 7.857 7.988 -0.131 18412 2932 1 7 . 1 1 71 71 ARG N N 71 115.621 115.621 125.455 -9.834 18412 2933 1 7 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.289 -0.387 18412 2934 1 7 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.175 0.277 18412 2935 1 7 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.652 -1.302 18412 2936 1 7 . 1 1 71 71 ARG H H 71 7.753 7.753 8.654 -0.901 18412 2937 1 7 . 1 1 72 72 ARG N N 72 115.226 115.226 119.399 -4.173 18412 2938 1 7 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.943 0.131 18412 2939 1 7 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.968 -4.355 18412 2940 1 7 . 1 1 72 72 ARG CB C 72 28.562 28.562 31.122 -2.560 18412 2941 1 7 . 1 1 72 72 ARG H H 72 8.006 8.006 8.461 -0.455 18412 2942 1 7 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.434 -0.097 18412 2943 1 7 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.809 -0.112 18412 2944 1 7 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.805 -0.476 18412 2945 1 7 . 1 1 74 74 ASP N N 74 118.600 118.600 119.471 -0.871 18412 2946 1 7 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.390 -0.210 18412 2947 1 7 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.847 -1.857 18412 2948 1 7 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.064 -2.029 18412 2949 1 7 . 1 1 74 74 ASP H H 74 9.152 9.152 8.585 0.567 18412 2950 1 7 . 1 1 75 75 LEU N N 75 120.762 120.762 119.867 0.895 18412 2951 1 7 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.957 -0.050 18412 2952 1 7 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.069 -0.707 18412 2953 1 7 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.270 -2.631 18412 2954 1 7 . 1 1 75 75 LEU H H 75 7.044 7.044 7.500 -0.456 18412 2955 1 7 . 1 1 76 76 LEU N N 76 118.917 118.917 120.744 -1.827 18412 2956 1 7 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.008 0.110 18412 2957 1 7 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.807 0.046 18412 2958 1 7 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.377 1.229 18412 2959 1 7 . 1 1 76 76 LEU H H 76 7.850 7.850 7.888 -0.038 18412 2960 1 7 . 1 1 77 77 THR N N 77 114.574 114.574 115.696 -1.122 18412 2961 1 7 . 1 1 77 77 THR HA H 77 3.830 3.830 3.918 -0.088 18412 2962 1 7 . 1 1 77 77 THR CA C 77 66.882 66.882 66.868 0.014 18412 2963 1 7 . 1 1 77 77 THR CB C 77 68.991 68.991 68.285 0.706 18412 2964 1 7 . 1 1 77 77 THR H H 77 8.287 8.287 8.401 -0.114 18412 2965 1 7 . 1 1 78 78 MET N N 78 118.873 118.873 118.574 0.299 18412 2966 1 7 . 1 1 78 78 MET HA H 78 4.155 4.155 4.244 -0.089 18412 2967 1 7 . 1 1 78 78 MET CA C 78 59.838 59.838 58.003 1.835 18412 2968 1 7 . 1 1 78 78 MET CB C 78 32.697 32.697 31.268 1.429 18412 2969 1 7 . 1 1 78 78 MET H H 78 7.032 7.032 7.673 -0.641 18412 2970 1 7 . 1 1 79 79 VAL N N 79 120.046 120.046 119.887 0.159 18412 2971 1 7 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.836 -0.115 18412 2972 1 7 . 1 1 79 79 VAL CA C 79 66.981 66.981 65.561 1.420 18412 2973 1 7 . 1 1 79 79 VAL CB C 79 32.032 32.032 30.691 1.341 18412 2974 1 7 . 1 1 79 79 VAL H H 79 7.633 7.633 7.552 0.081 18412 2975 1 7 . 1 1 80 80 VAL N N 80 121.510 121.510 121.087 0.423 18412 2976 1 7 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.694 -0.153 18412 2977 1 7 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.124 -0.019 18412 2978 1 7 . 1 1 80 80 VAL CB C 80 31.847 31.847 30.762 1.085 18412 2979 1 7 . 1 1 80 80 VAL H H 80 8.601 8.601 8.680 -0.079 18412 2980 1 7 . 1 1 81 81 ASP N N 81 121.760 121.760 119.835 1.925 18412 2981 1 7 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.353 -0.000 18412 2982 1 7 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.353 0.322 18412 2983 1 7 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.809 -0.237 18412 2984 1 7 . 1 1 81 81 ASP H H 81 8.677 8.677 8.616 0.061 18412 2985 1 7 . 1 1 82 82 TYR N N 82 121.025 121.025 121.076 -0.051 18412 2986 1 7 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.041 0.146 18412 2987 1 7 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.553 -0.050 18412 2988 1 7 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.474 0.149 18412 2989 1 7 . 1 1 82 82 TYR H H 82 7.608 7.608 8.102 -0.494 18412 2990 1 7 . 1 1 83 83 ARG N N 83 119.379 119.379 118.694 0.685 18412 2991 1 7 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.701 -0.030 18412 2992 1 7 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.330 0.547 18412 2993 1 7 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.567 0.811 18412 2994 1 7 . 1 1 83 83 ARG H H 83 8.596 8.596 8.080 0.516 18412 2995 1 7 . 1 1 84 84 THR N N 84 113.330 113.330 116.317 -2.987 18412 2996 1 7 . 1 1 84 84 THR HA H 84 3.946 3.946 4.074 -0.128 18412 2997 1 7 . 1 1 84 84 THR CA C 84 65.316 65.316 66.479 -1.163 18412 2998 1 7 . 1 1 84 84 THR CB C 84 69.273 69.273 68.438 0.835 18412 2999 1 7 . 1 1 84 84 THR H H 84 8.305 8.305 7.825 0.479 18412 3000 1 7 . 1 1 85 85 ARG N N 85 121.457 121.457 121.965 -0.508 18412 3001 1 7 . 1 1 85 85 ARG HA H 85 4.057 4.057 3.991 0.066 18412 3002 1 7 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.531 -0.626 18412 3003 1 7 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.233 1.572 18412 3004 1 7 . 1 1 85 85 ARG H H 85 7.949 7.949 8.577 -0.628 18412 3005 1 7 . 1 1 86 86 VAL N N 86 117.232 117.232 119.915 -2.683 18412 3006 1 7 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.818 -0.021 18412 3007 1 7 . 1 1 86 86 VAL CA C 86 64.264 64.264 64.986 -0.722 18412 3008 1 7 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.619 1.088 18412 3009 1 7 . 1 1 86 86 VAL H H 86 7.962 7.962 7.762 0.200 18412 3010 1 7 . 1 1 87 87 LEU N N 87 120.870 120.870 121.979 -1.109 18412 3011 1 7 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.995 0.163 18412 3012 1 7 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.221 -2.164 18412 3013 1 7 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.246 0.487 18412 3014 1 7 . 1 1 87 87 LEU H H 87 7.463 7.463 7.282 0.181 18412 3015 1 7 . 1 1 88 88 LYS N N 88 118.925 118.925 118.865 0.060 18412 3016 1 7 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.161 0.007 18412 3017 1 7 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.063 -1.374 18412 3018 1 7 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.801 -0.679 18412 3019 1 7 . 1 1 88 88 LYS H H 88 7.602 7.602 8.060 -0.458 18412 3020 1 7 . 1 1 89 89 ILE N N 89 120.845 120.845 119.147 1.698 18412 3021 1 7 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.880 0.169 18412 3022 1 7 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.882 -1.015 18412 3023 1 7 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.561 0.099 18412 3024 1 7 . 1 1 89 89 ILE H H 89 7.882 7.882 8.011 -0.129 18412 3025 1 8 . 1 1 2 2 ALA N N 2 124.384 124.384 123.711 0.673 18412 3026 1 8 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.183 0.016 18412 3027 1 8 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.267 -0.615 18412 3028 1 8 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.876 0.509 18412 3029 1 8 . 1 1 2 2 ALA H H 2 8.326 8.326 8.415 -0.089 18412 3030 1 8 . 1 1 3 3 GLU N N 3 118.800 118.800 118.345 0.455 18412 3031 1 8 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.093 0.105 18412 3032 1 8 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.798 -0.394 18412 3033 1 8 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.902 0.654 18412 3034 1 8 . 1 1 3 3 GLU H H 3 8.411 8.411 9.140 -0.729 18412 3035 1 8 . 1 1 4 4 TYR N N 4 123.838 123.838 120.664 3.174 18412 3036 1 8 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.644 0.360 18412 3037 1 8 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.136 0.496 18412 3038 1 8 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.723 0.679 18412 3039 1 8 . 1 1 4 4 TYR H H 4 8.448 8.448 8.357 0.091 18412 3040 1 8 . 1 1 5 5 GLY N N 5 105.816 105.816 105.953 -0.137 18412 3041 1 8 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.299 -0.157 18412 3042 1 8 . 1 1 5 5 GLY H H 5 8.250 8.250 8.209 0.041 18412 3043 1 8 . 1 1 6 6 THR N N 6 119.523 119.523 119.618 -0.095 18412 3044 1 8 . 1 1 6 6 THR HA H 6 3.802 3.802 3.860 -0.058 18412 3045 1 8 . 1 1 6 6 THR CA C 6 66.449 66.449 65.498 0.951 18412 3046 1 8 . 1 1 6 6 THR CB C 6 68.391 68.391 68.961 -0.570 18412 3047 1 8 . 1 1 6 6 THR H H 6 7.868 7.868 7.957 -0.089 18412 3048 1 8 . 1 1 7 7 LEU N N 7 123.502 123.502 123.271 0.231 18412 3049 1 8 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.838 0.401 18412 3050 1 8 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.084 0.141 18412 3051 1 8 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.190 -1.437 18412 3052 1 8 . 1 1 7 7 LEU H H 7 7.594 7.594 8.179 -0.585 18412 3053 1 8 . 1 1 8 8 LEU N N 8 115.222 115.222 117.655 -2.433 18412 3054 1 8 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.338 -0.065 18412 3055 1 8 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.439 -0.305 18412 3056 1 8 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.992 0.144 18412 3057 1 8 . 1 1 8 8 LEU H H 8 7.654 7.654 7.345 0.309 18412 3058 1 8 . 1 1 9 9 GLN N N 9 120.743 120.743 118.784 1.959 18412 3059 1 8 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.933 -0.054 18412 3060 1 8 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.256 -0.480 18412 3061 1 8 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.127 0.801 18412 3062 1 8 . 1 1 9 9 GLN H H 9 7.688 7.688 7.438 0.250 18412 3063 1 8 . 1 1 10 10 ASP N N 10 122.554 122.554 120.507 2.047 18412 3064 1 8 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.354 -0.021 18412 3065 1 8 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.629 0.048 18412 3066 1 8 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.658 -0.721 18412 3067 1 8 . 1 1 10 10 ASP H H 10 8.656 8.656 8.216 0.440 18412 3068 1 8 . 1 1 11 11 LEU N N 11 119.408 119.408 117.301 2.107 18412 3069 1 8 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.183 -0.297 18412 3070 1 8 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.085 0.400 18412 3071 1 8 . 1 1 11 11 LEU CB C 11 43.253 43.253 40.972 2.281 18412 3072 1 8 . 1 1 11 11 LEU H H 11 8.805 8.805 7.654 1.151 18412 3073 1 8 . 1 1 12 12 THR N N 12 113.945 113.945 115.843 -1.898 18412 3074 1 8 . 1 1 12 12 THR HA H 12 3.875 3.875 4.041 -0.166 18412 3075 1 8 . 1 1 12 12 THR CA C 12 67.829 67.829 66.988 0.841 18412 3076 1 8 . 1 1 12 12 THR CB C 12 68.521 68.521 68.270 0.251 18412 3077 1 8 . 1 1 12 12 THR H H 12 8.305 8.305 7.858 0.447 18412 3078 1 8 . 1 1 13 13 ASN N N 13 119.138 119.138 118.451 0.687 18412 3079 1 8 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.559 0.031 18412 3080 1 8 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.677 -1.027 18412 3081 1 8 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.193 0.070 18412 3082 1 8 . 1 1 13 13 ASN H H 13 8.180 8.180 8.282 -0.102 18412 3083 1 8 . 1 1 14 14 ASN N N 14 117.905 117.905 115.414 2.491 18412 3084 1 8 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.684 0.142 18412 3085 1 8 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.232 0.126 18412 3086 1 8 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.428 2.030 18412 3087 1 8 . 1 1 14 14 ASN H H 14 7.778 7.778 7.602 0.176 18412 3088 1 8 . 1 1 15 15 ILE N N 15 120.690 120.690 121.744 -1.054 18412 3089 1 8 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.097 0.614 18412 3090 1 8 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.889 -0.012 18412 3091 1 8 . 1 1 15 15 ILE CB C 15 41.344 41.344 37.050 4.294 18412 3092 1 8 . 1 1 15 15 ILE H H 15 7.234 7.234 7.246 -0.012 18412 3093 1 8 . 1 1 16 16 THR N N 16 120.066 120.066 118.694 1.372 18412 3094 1 8 . 1 1 16 16 THR HA H 16 4.536 4.536 4.580 -0.044 18412 3095 1 8 . 1 1 16 16 THR CA C 16 60.804 60.804 59.975 0.829 18412 3096 1 8 . 1 1 16 16 THR CB C 16 71.263 71.263 71.370 -0.106 18412 3097 1 8 . 1 1 16 16 THR H H 16 9.188 9.188 8.200 0.988 18412 3098 1 8 . 1 1 17 17 LEU N N 17 121.043 121.043 124.401 -3.358 18412 3099 1 8 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.929 0.067 18412 3100 1 8 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.682 0.011 18412 3101 1 8 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.257 0.070 18412 3102 1 8 . 1 1 17 17 LEU H H 17 8.662 8.662 8.937 -0.275 18412 3103 1 8 . 1 1 18 18 GLU N N 18 118.968 118.968 118.699 0.269 18412 3104 1 8 . 1 1 18 18 GLU HA H 18 3.947 3.947 4.137 -0.190 18412 3105 1 8 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.531 0.455 18412 3106 1 8 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.335 -0.187 18412 3107 1 8 . 1 1 18 18 GLU H H 18 8.374 8.374 8.521 -0.147 18412 3108 1 8 . 1 1 19 19 ASP N N 19 121.542 121.542 120.682 0.860 18412 3109 1 8 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.304 -0.161 18412 3110 1 8 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.493 -0.902 18412 3111 1 8 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.720 0.592 18412 3112 1 8 . 1 1 19 19 ASP H H 19 7.857 7.857 8.385 -0.528 18412 3113 1 8 . 1 1 20 20 LEU N N 20 120.904 120.904 120.883 0.021 18412 3114 1 8 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.791 -0.374 18412 3115 1 8 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.027 -1.113 18412 3116 1 8 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.658 -0.556 18412 3117 1 8 . 1 1 20 20 LEU H H 20 8.412 8.412 8.289 0.123 18412 3118 1 8 . 1 1 21 21 GLU N N 21 117.187 117.187 118.486 -1.299 18412 3119 1 8 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.727 0.071 18412 3120 1 8 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.636 -0.365 18412 3121 1 8 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.082 -0.165 18412 3122 1 8 . 1 1 21 21 GLU H H 21 7.462 7.462 7.741 -0.279 18412 3123 1 8 . 1 1 22 22 GLN N N 22 118.617 118.617 120.412 -1.795 18412 3124 1 8 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.056 -0.037 18412 3125 1 8 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.712 -0.125 18412 3126 1 8 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.690 -0.455 18412 3127 1 8 . 1 1 22 22 GLN H H 22 7.135 7.135 7.543 -0.408 18412 3128 1 8 . 1 1 23 23 LEU N N 23 121.325 121.325 120.287 1.038 18412 3129 1 8 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.810 -0.105 18412 3130 1 8 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.788 -0.003 18412 3131 1 8 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.165 -1.545 18412 3132 1 8 . 1 1 23 23 LEU H H 23 7.833 7.833 7.825 0.008 18412 3133 1 8 . 1 1 24 24 LYS N N 24 116.045 116.045 118.961 -2.916 18412 3134 1 8 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.704 -0.054 18412 3135 1 8 . 1 1 24 24 LYS CA C 24 60.545 60.545 58.448 2.097 18412 3136 1 8 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.518 0.294 18412 3137 1 8 . 1 1 24 24 LYS H H 24 8.307 8.307 8.263 0.044 18412 3138 1 8 . 1 1 25 25 SER N N 25 116.071 116.071 115.604 0.467 18412 3139 1 8 . 1 1 25 25 SER HA H 25 4.111 4.111 4.108 0.003 18412 3140 1 8 . 1 1 25 25 SER CA C 25 61.557 61.557 61.709 -0.152 18412 3141 1 8 . 1 1 25 25 SER CB C 25 62.565 62.565 62.573 -0.008 18412 3142 1 8 . 1 1 25 25 SER H H 25 7.781 7.781 8.117 -0.336 18412 3143 1 8 . 1 1 26 26 ALA N N 26 123.448 123.448 124.041 -0.593 18412 3144 1 8 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.044 0.131 18412 3145 1 8 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.942 -0.693 18412 3146 1 8 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.270 0.443 18412 3147 1 8 . 1 1 26 26 ALA H H 26 7.735 7.735 7.917 -0.182 18412 3148 1 8 . 1 1 27 27 CYS N N 27 113.480 113.480 116.867 -3.387 18412 3149 1 8 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.458 0.173 18412 3150 1 8 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.610 -1.229 18412 3151 1 8 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.845 1.789 18412 3152 1 8 . 1 1 27 27 CYS H H 27 7.390 7.390 8.200 -0.810 18412 3153 1 8 . 1 1 28 28 LYS N N 28 118.354 118.354 120.879 -2.525 18412 3154 1 8 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.000 -0.055 18412 3155 1 8 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.390 -0.970 18412 3156 1 8 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.437 0.110 18412 3157 1 8 . 1 1 28 28 LYS H H 28 7.634 7.634 7.738 -0.104 18412 3158 1 8 . 1 1 29 29 GLU N N 29 118.875 118.875 118.075 0.800 18412 3159 1 8 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.223 -0.066 18412 3160 1 8 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.347 -0.107 18412 3161 1 8 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.781 -0.917 18412 3162 1 8 . 1 1 29 29 GLU H H 29 8.552 8.552 8.490 0.062 18412 3163 1 8 . 1 1 30 30 ASP N N 30 117.610 117.610 117.919 -0.309 18412 3164 1 8 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.637 -0.049 18412 3165 1 8 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.721 0.162 18412 3166 1 8 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.706 -0.179 18412 3167 1 8 . 1 1 30 30 ASP H H 30 7.962 7.962 8.163 -0.201 18412 3168 1 8 . 1 1 31 31 ILE N N 31 116.930 116.930 121.952 -5.022 18412 3169 1 8 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.582 -0.215 18412 3170 1 8 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.603 0.430 18412 3171 1 8 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.754 -0.985 18412 3172 1 8 . 1 1 31 31 ILE H H 31 7.317 7.317 8.256 -0.939 18412 3173 1 8 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.561 -0.100 18412 3174 1 8 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.900 -0.055 18412 3175 1 8 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.481 0.033 18412 3176 1 8 . 1 1 33 33 SER N N 33 119.808 119.808 119.689 0.119 18412 3177 1 8 . 1 1 33 33 SER HA H 33 4.141 4.141 3.915 0.226 18412 3178 1 8 . 1 1 33 33 SER CA C 33 61.125 61.125 62.204 -1.079 18412 3179 1 8 . 1 1 33 33 SER CB C 33 63.000 63.000 63.056 -0.056 18412 3180 1 8 . 1 1 33 33 SER H H 33 8.778 8.778 8.822 -0.044 18412 3181 1 8 . 1 1 34 34 GLU N N 34 120.906 120.906 119.295 1.611 18412 3182 1 8 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.218 -0.013 18412 3183 1 8 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.528 -0.828 18412 3184 1 8 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.234 -0.522 18412 3185 1 8 . 1 1 34 34 GLU H H 34 9.336 9.336 8.662 0.674 18412 3186 1 8 . 1 1 35 35 LYS N N 35 117.698 117.698 117.982 -0.284 18412 3187 1 8 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.961 0.386 18412 3188 1 8 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.799 -2.339 18412 3189 1 8 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.514 0.743 18412 3190 1 8 . 1 1 35 35 LYS H H 35 7.659 7.659 7.823 -0.164 18412 3191 1 8 . 1 1 36 36 SER N N 36 114.472 114.472 115.511 -1.039 18412 3192 1 8 . 1 1 36 36 SER HA H 36 3.652 3.652 4.137 -0.485 18412 3193 1 8 . 1 1 36 36 SER CA C 36 61.450 61.450 61.321 0.129 18412 3194 1 8 . 1 1 36 36 SER CB C 36 62.820 62.820 62.777 0.043 18412 3195 1 8 . 1 1 36 36 SER H H 36 7.732 7.732 8.409 -0.677 18412 3196 1 8 . 1 1 37 37 GLU N N 37 118.258 118.258 121.583 -3.325 18412 3197 1 8 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.037 -0.067 18412 3198 1 8 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.872 -0.759 18412 3199 1 8 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.498 0.046 18412 3200 1 8 . 1 1 37 37 GLU H H 37 8.187 8.187 7.847 0.340 18412 3201 1 8 . 1 1 38 38 GLU N N 38 115.652 115.652 116.653 -1.001 18412 3202 1 8 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.265 -0.069 18412 3203 1 8 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.385 0.109 18412 3204 1 8 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.561 0.541 18412 3205 1 8 . 1 1 38 38 GLU H H 38 7.472 7.472 7.896 -0.424 18412 3206 1 8 . 1 1 39 39 ILE N N 39 121.367 121.367 123.463 -2.096 18412 3207 1 8 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.112 -0.127 18412 3208 1 8 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.085 -0.166 18412 3209 1 8 . 1 1 39 39 ILE CB C 39 37.404 37.404 36.010 1.394 18412 3210 1 8 . 1 1 39 39 ILE H H 39 7.504 7.504 7.179 0.325 18412 3211 1 8 . 1 1 40 40 THR N N 40 115.102 115.102 116.771 -1.669 18412 3212 1 8 . 1 1 40 40 THR HA H 40 4.459 4.459 4.337 0.122 18412 3213 1 8 . 1 1 40 40 THR CA C 40 61.169 61.169 62.594 -1.425 18412 3214 1 8 . 1 1 40 40 THR CB C 40 69.913 69.913 68.968 0.945 18412 3215 1 8 . 1 1 40 40 THR H H 40 8.173 8.173 7.916 0.257 18412 3216 1 8 . 1 1 41 41 THR N N 41 108.664 108.664 112.422 -3.758 18412 3217 1 8 . 1 1 41 41 THR HA H 41 4.602 4.602 4.537 0.065 18412 3218 1 8 . 1 1 41 41 THR CA C 41 59.116 59.116 60.744 -1.628 18412 3219 1 8 . 1 1 41 41 THR CB C 41 73.442 73.442 70.581 2.861 18412 3220 1 8 . 1 1 41 41 THR H H 41 7.104 7.104 7.323 -0.219 18412 3221 1 8 . 1 1 42 42 GLY N N 42 109.200 109.200 112.129 -2.929 18412 3222 1 8 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.184 0.328 18412 3223 1 8 . 1 1 42 42 GLY H H 42 9.196 9.196 9.041 0.155 18412 3224 1 8 . 1 1 43 43 SER N N 43 114.564 114.564 117.438 -2.874 18412 3225 1 8 . 1 1 43 43 SER HA H 43 4.360 4.360 4.386 -0.026 18412 3226 1 8 . 1 1 43 43 SER CA C 43 61.523 61.523 62.025 -0.502 18412 3227 1 8 . 1 1 43 43 SER CB C 43 62.448 62.448 63.117 -0.668 18412 3228 1 8 . 1 1 43 43 SER H H 43 8.208 8.208 8.336 -0.128 18412 3229 1 8 . 1 1 44 44 ALA N N 44 123.757 123.757 124.413 -0.656 18412 3230 1 8 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.211 0.070 18412 3231 1 8 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.915 -0.389 18412 3232 1 8 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.271 1.062 18412 3233 1 8 . 1 1 44 44 ALA H H 44 7.964 7.964 8.059 -0.095 18412 3234 1 8 . 1 1 45 45 TRP N N 45 122.904 122.904 120.434 2.470 18412 3235 1 8 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.392 -0.164 18412 3236 1 8 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.645 0.985 18412 3237 1 8 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.210 -1.686 18412 3238 1 8 . 1 1 45 45 TRP H H 45 8.001 8.001 7.819 0.181 18412 3239 1 8 . 1 1 46 46 PHE N N 46 116.699 116.699 118.928 -2.229 18412 3240 1 8 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.660 0.226 18412 3241 1 8 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.898 -0.206 18412 3242 1 8 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.145 -0.299 18412 3243 1 8 . 1 1 46 46 PHE H H 46 8.250 8.250 7.834 0.416 18412 3244 1 8 . 1 1 47 47 SER N N 47 113.740 113.740 115.363 -1.623 18412 3245 1 8 . 1 1 47 47 SER HA H 47 4.419 4.419 4.337 0.082 18412 3246 1 8 . 1 1 47 47 SER CA C 47 61.723 61.723 61.568 0.155 18412 3247 1 8 . 1 1 47 47 SER CB C 47 62.769 62.769 62.481 0.288 18412 3248 1 8 . 1 1 47 47 SER H H 47 8.331 8.331 8.825 -0.494 18412 3249 1 8 . 1 1 48 48 PHE N N 48 124.310 124.310 124.119 0.191 18412 3250 1 8 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.193 0.059 18412 3251 1 8 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.960 0.827 18412 3252 1 8 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.781 0.150 18412 3253 1 8 . 1 1 48 48 PHE H H 48 8.175 8.175 8.098 0.077 18412 3254 1 8 . 1 1 49 49 LEU N N 49 120.565 120.565 120.365 0.200 18412 3255 1 8 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.414 0.108 18412 3256 1 8 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.072 0.161 18412 3257 1 8 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.530 -0.005 18412 3258 1 8 . 1 1 49 49 LEU H H 49 8.212 8.212 8.395 -0.183 18412 3259 1 8 . 1 1 50 50 GLU N N 50 120.639 120.639 117.568 3.071 18412 3260 1 8 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.215 0.361 18412 3261 1 8 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.866 0.310 18412 3262 1 8 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.478 1.146 18412 3263 1 8 . 1 1 50 50 GLU H H 50 8.702 8.702 8.645 0.057 18412 3264 1 8 . 1 1 51 51 SER N N 51 116.044 116.044 113.109 2.935 18412 3265 1 8 . 1 1 51 51 SER HA H 51 4.178 4.178 4.287 -0.109 18412 3266 1 8 . 1 1 51 51 SER CA C 51 60.575 60.575 60.484 0.091 18412 3267 1 8 . 1 1 51 51 SER CB C 51 62.881 62.881 63.642 -0.761 18412 3268 1 8 . 1 1 51 51 SER H H 51 8.272 8.272 7.624 0.648 18412 3269 1 8 . 1 1 52 52 HIS N N 52 118.134 118.134 117.774 0.360 18412 3270 1 8 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.638 -0.234 18412 3271 1 8 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.533 2.884 18412 3272 1 8 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.457 -3.037 18412 3273 1 8 . 1 1 52 52 HIS H H 52 7.217 7.217 7.565 -0.348 18412 3274 1 8 . 1 1 53 53 ASN N N 53 113.597 113.597 117.864 -4.267 18412 3275 1 8 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.613 -0.103 18412 3276 1 8 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.240 1.565 18412 3277 1 8 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.049 -0.286 18412 3278 1 8 . 1 1 53 53 ASN H H 53 7.893 7.893 8.797 -0.904 18412 3279 1 8 . 1 1 54 54 LYS N N 54 113.123 113.123 118.652 -5.529 18412 3280 1 8 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.431 -0.196 18412 3281 1 8 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.379 -1.116 18412 3282 1 8 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.678 -0.133 18412 3283 1 8 . 1 1 54 54 LYS H H 54 8.082 8.082 7.973 0.109 18412 3284 1 8 . 1 1 55 55 LEU N N 55 120.215 120.215 119.616 0.599 18412 3285 1 8 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.774 -0.119 18412 3286 1 8 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.879 0.388 18412 3287 1 8 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.275 3.102 18412 3288 1 8 . 1 1 55 55 LEU H H 55 6.882 6.882 7.237 -0.355 18412 3289 1 8 . 1 1 56 56 ASP N N 56 120.831 120.831 126.039 -5.208 18412 3290 1 8 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.642 -0.250 18412 3291 1 8 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.947 -1.281 18412 3292 1 8 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.842 -0.527 18412 3293 1 8 . 1 1 56 56 ASP H H 56 8.078 8.078 8.436 -0.358 18412 3294 1 8 . 1 1 57 57 LYS N N 57 115.203 115.203 118.284 -3.081 18412 3295 1 8 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.117 -0.752 18412 3296 1 8 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.858 -0.206 18412 3297 1 8 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.349 -1.031 18412 3298 1 8 . 1 1 57 57 LYS H H 57 7.958 7.958 8.601 -0.643 18412 3299 1 8 . 1 1 58 58 ASP N N 58 118.074 118.074 114.722 3.352 18412 3300 1 8 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.405 0.552 18412 3301 1 8 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.342 -0.059 18412 3302 1 8 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.263 1.796 18412 3303 1 8 . 1 1 58 58 ASP H H 58 8.336 8.336 8.168 0.168 18412 3304 1 8 . 1 1 59 59 ASN N N 59 119.835 119.835 118.160 1.675 18412 3305 1 8 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.729 0.231 18412 3306 1 8 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.476 -0.747 18412 3307 1 8 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.937 -0.060 18412 3308 1 8 . 1 1 59 59 ASN H H 59 7.850 7.850 8.208 -0.358 18412 3309 1 8 . 1 1 60 60 LEU N N 60 125.541 125.541 120.502 5.039 18412 3310 1 8 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.913 -0.353 18412 3311 1 8 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.734 -2.486 18412 3312 1 8 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.628 -0.438 18412 3313 1 8 . 1 1 60 60 LEU H H 60 8.995 8.995 8.439 0.556 18412 3314 1 8 . 1 1 61 61 SER N N 61 114.344 114.344 118.526 -4.182 18412 3315 1 8 . 1 1 61 61 SER HA H 61 4.159 4.159 4.149 0.010 18412 3316 1 8 . 1 1 61 61 SER CA C 61 62.002 62.002 62.277 -0.275 18412 3317 1 8 . 1 1 61 61 SER CB C 61 62.987 62.987 62.942 0.045 18412 3318 1 8 . 1 1 61 61 SER H H 61 7.880 7.880 8.357 -0.477 18412 3319 1 8 . 1 1 62 62 TYR N N 62 125.087 125.087 121.591 3.496 18412 3320 1 8 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.274 0.025 18412 3321 1 8 . 1 1 62 62 TYR CA C 62 62.205 62.205 60.175 2.030 18412 3322 1 8 . 1 1 62 62 TYR CB C 62 38.925 38.925 37.955 0.970 18412 3323 1 8 . 1 1 62 62 TYR H H 62 8.765 8.765 8.403 0.362 18412 3324 1 8 . 1 1 63 63 ILE N N 63 111.338 111.338 116.592 -5.254 18412 3325 1 8 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.385 0.257 18412 3326 1 8 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.042 1.076 18412 3327 1 8 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.931 -0.548 18412 3328 1 8 . 1 1 63 63 ILE H H 63 7.631 7.631 7.705 -0.074 18412 3329 1 8 . 1 1 64 64 GLU N N 64 121.049 121.049 121.846 -0.797 18412 3330 1 8 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.129 -0.404 18412 3331 1 8 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.099 0.796 18412 3332 1 8 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.679 0.559 18412 3333 1 8 . 1 1 64 64 GLU H H 64 7.987 7.987 8.315 -0.328 18412 3334 1 8 . 1 1 65 65 HIS N N 65 117.657 117.657 119.086 -1.429 18412 3335 1 8 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.308 0.130 18412 3336 1 8 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.592 -0.570 18412 3337 1 8 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.708 -1.121 18412 3338 1 8 . 1 1 65 65 HIS H H 65 7.513 7.513 8.157 -0.644 18412 3339 1 8 . 1 1 66 66 ILE N N 66 118.281 118.281 119.030 -0.749 18412 3340 1 8 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.483 -0.056 18412 3341 1 8 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.571 -1.833 18412 3342 1 8 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.102 -1.016 18412 3343 1 8 . 1 1 66 66 ILE H H 66 7.924 7.924 7.748 0.176 18412 3344 1 8 . 1 1 67 67 PHE N N 67 121.084 121.084 116.793 4.291 18412 3345 1 8 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.130 0.336 18412 3346 1 8 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.152 -3.470 18412 3347 1 8 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.691 -1.013 18412 3348 1 8 . 1 1 67 67 PHE H H 67 8.737 8.737 7.897 0.840 18412 3349 1 8 . 1 1 68 68 GLU N N 68 120.739 120.739 119.699 1.040 18412 3350 1 8 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.052 0.034 18412 3351 1 8 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.042 1.058 18412 3352 1 8 . 1 1 68 68 GLU CB C 68 29.735 29.735 30.125 -0.390 18412 3353 1 8 . 1 1 68 68 GLU H H 68 8.228 8.228 7.457 0.770 18412 3354 1 8 . 1 1 69 69 ILE N N 69 117.535 117.535 114.195 3.340 18412 3355 1 8 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.890 0.150 18412 3356 1 8 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.293 0.938 18412 3357 1 8 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.063 -0.436 18412 3358 1 8 . 1 1 69 69 ILE H H 69 8.393 8.393 7.861 0.532 18412 3359 1 8 . 1 1 70 70 SER N N 70 115.058 115.058 116.280 -1.222 18412 3360 1 8 . 1 1 70 70 SER HA H 70 4.419 4.419 4.348 0.071 18412 3361 1 8 . 1 1 70 70 SER CA C 70 58.502 58.502 57.683 0.819 18412 3362 1 8 . 1 1 70 70 SER CB C 70 63.029 63.029 64.135 -1.106 18412 3363 1 8 . 1 1 70 70 SER H H 70 7.857 7.857 7.954 -0.097 18412 3364 1 8 . 1 1 71 71 ARG N N 71 115.621 115.621 126.434 -10.813 18412 3365 1 8 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.273 -0.371 18412 3366 1 8 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.981 0.471 18412 3367 1 8 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.702 -1.352 18412 3368 1 8 . 1 1 71 71 ARG H H 71 7.753 7.753 8.676 -0.923 18412 3369 1 8 . 1 1 72 72 ARG N N 72 115.226 115.226 119.725 -4.499 18412 3370 1 8 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.929 0.145 18412 3371 1 8 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.923 -4.310 18412 3372 1 8 . 1 1 72 72 ARG CB C 72 28.562 28.562 31.131 -2.568 18412 3373 1 8 . 1 1 72 72 ARG H H 72 8.006 8.006 8.555 -0.549 18412 3374 1 8 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.363 -0.026 18412 3375 1 8 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.829 -0.131 18412 3376 1 8 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.814 -0.485 18412 3377 1 8 . 1 1 74 74 ASP N N 74 118.600 118.600 119.314 -0.714 18412 3378 1 8 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.389 -0.209 18412 3379 1 8 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.660 -1.670 18412 3380 1 8 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.018 -1.983 18412 3381 1 8 . 1 1 74 74 ASP H H 74 9.152 9.152 8.560 0.592 18412 3382 1 8 . 1 1 75 75 LEU N N 75 120.762 120.762 119.775 0.987 18412 3383 1 8 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.928 -0.021 18412 3384 1 8 . 1 1 75 75 LEU CA C 75 56.362 56.362 56.950 -0.588 18412 3385 1 8 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.203 -2.564 18412 3386 1 8 . 1 1 75 75 LEU H H 75 7.044 7.044 7.428 -0.384 18412 3387 1 8 . 1 1 76 76 LEU N N 76 118.917 118.917 120.378 -1.461 18412 3388 1 8 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.011 0.107 18412 3389 1 8 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.719 0.134 18412 3390 1 8 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.448 1.158 18412 3391 1 8 . 1 1 76 76 LEU H H 76 7.850 7.850 7.552 0.298 18412 3392 1 8 . 1 1 77 77 THR N N 77 114.574 114.574 114.664 -0.090 18412 3393 1 8 . 1 1 77 77 THR HA H 77 3.830 3.830 3.896 -0.066 18412 3394 1 8 . 1 1 77 77 THR CA C 77 66.882 66.882 66.972 -0.090 18412 3395 1 8 . 1 1 77 77 THR CB C 77 68.991 68.991 68.265 0.726 18412 3396 1 8 . 1 1 77 77 THR H H 77 8.287 8.287 8.019 0.268 18412 3397 1 8 . 1 1 78 78 MET N N 78 118.873 118.873 118.094 0.779 18412 3398 1 8 . 1 1 78 78 MET HA H 78 4.155 4.155 4.274 -0.119 18412 3399 1 8 . 1 1 78 78 MET CA C 78 59.838 59.838 58.122 1.716 18412 3400 1 8 . 1 1 78 78 MET CB C 78 32.697 32.697 31.313 1.384 18412 3401 1 8 . 1 1 78 78 MET H H 78 7.032 7.032 7.472 -0.440 18412 3402 1 8 . 1 1 79 79 VAL N N 79 120.046 120.046 119.745 0.301 18412 3403 1 8 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.803 -0.082 18412 3404 1 8 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.758 0.223 18412 3405 1 8 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.262 0.770 18412 3406 1 8 . 1 1 79 79 VAL H H 79 7.633 7.633 7.657 -0.024 18412 3407 1 8 . 1 1 80 80 VAL N N 80 121.510 121.510 120.721 0.789 18412 3408 1 8 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.678 -0.137 18412 3409 1 8 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.101 0.004 18412 3410 1 8 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.122 0.725 18412 3411 1 8 . 1 1 80 80 VAL H H 80 8.601 8.601 8.600 0.001 18412 3412 1 8 . 1 1 81 81 ASP N N 81 121.760 121.760 119.797 1.963 18412 3413 1 8 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.333 0.020 18412 3414 1 8 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.047 0.629 18412 3415 1 8 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.779 -0.208 18412 3416 1 8 . 1 1 81 81 ASP H H 81 8.677 8.677 8.363 0.314 18412 3417 1 8 . 1 1 82 82 TYR N N 82 121.025 121.025 121.226 -0.201 18412 3418 1 8 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.095 0.092 18412 3419 1 8 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.618 -0.115 18412 3420 1 8 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.505 0.118 18412 3421 1 8 . 1 1 82 82 TYR H H 82 7.608 7.608 8.019 -0.411 18412 3422 1 8 . 1 1 83 83 ARG N N 83 119.379 119.379 118.499 0.880 18412 3423 1 8 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.762 -0.091 18412 3424 1 8 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.236 0.640 18412 3425 1 8 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.598 0.780 18412 3426 1 8 . 1 1 83 83 ARG H H 83 8.596 8.596 8.210 0.386 18412 3427 1 8 . 1 1 84 84 THR N N 84 113.330 113.330 116.267 -2.937 18412 3428 1 8 . 1 1 84 84 THR HA H 84 3.946 3.946 4.000 -0.054 18412 3429 1 8 . 1 1 84 84 THR CA C 84 65.316 65.316 66.988 -1.672 18412 3430 1 8 . 1 1 84 84 THR CB C 84 69.273 69.273 68.753 0.520 18412 3431 1 8 . 1 1 84 84 THR H H 84 8.305 8.305 7.759 0.546 18412 3432 1 8 . 1 1 85 85 ARG N N 85 121.457 121.457 122.178 -0.721 18412 3433 1 8 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.038 0.019 18412 3434 1 8 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.390 -0.485 18412 3435 1 8 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.522 1.283 18412 3436 1 8 . 1 1 85 85 ARG H H 85 7.949 7.949 8.543 -0.594 18412 3437 1 8 . 1 1 86 86 VAL N N 86 117.232 117.232 120.384 -3.152 18412 3438 1 8 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.681 0.116 18412 3439 1 8 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.865 -1.601 18412 3440 1 8 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.413 0.294 18412 3441 1 8 . 1 1 86 86 VAL H H 86 7.962 7.962 7.855 0.107 18412 3442 1 8 . 1 1 87 87 LEU N N 87 120.870 120.870 121.663 -0.793 18412 3443 1 8 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.983 0.175 18412 3444 1 8 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.108 -2.052 18412 3445 1 8 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.157 0.576 18412 3446 1 8 . 1 1 87 87 LEU H H 87 7.463 7.463 7.359 0.104 18412 3447 1 8 . 1 1 88 88 LYS N N 88 118.925 118.925 117.691 1.234 18412 3448 1 8 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.141 0.027 18412 3449 1 8 . 1 1 88 88 LYS CA C 88 56.689 56.689 57.737 -1.048 18412 3450 1 8 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.806 -0.684 18412 3451 1 8 . 1 1 88 88 LYS H H 88 7.602 7.602 7.965 -0.363 18412 3452 1 8 . 1 1 89 89 ILE N N 89 120.845 120.845 119.289 1.556 18412 3453 1 8 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.889 0.160 18412 3454 1 8 . 1 1 89 89 ILE CA C 89 61.867 61.867 63.154 -1.287 18412 3455 1 8 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.556 0.104 18412 3456 1 8 . 1 1 89 89 ILE H H 89 7.882 7.882 8.044 -0.162 18412 3457 1 9 . 1 1 2 2 ALA N N 2 124.384 124.384 123.419 0.965 18412 3458 1 9 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.136 0.063 18412 3459 1 9 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.352 -0.700 18412 3460 1 9 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.721 0.664 18412 3461 1 9 . 1 1 2 2 ALA H H 2 8.326 8.326 8.534 -0.208 18412 3462 1 9 . 1 1 3 3 GLU N N 3 118.800 118.800 118.547 0.253 18412 3463 1 9 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.074 0.124 18412 3464 1 9 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.799 -0.395 18412 3465 1 9 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.885 0.671 18412 3466 1 9 . 1 1 3 3 GLU H H 3 8.411 8.411 9.134 -0.723 18412 3467 1 9 . 1 1 4 4 TYR N N 4 123.838 123.838 120.553 3.285 18412 3468 1 9 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.630 0.374 18412 3469 1 9 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.354 0.278 18412 3470 1 9 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.763 0.639 18412 3471 1 9 . 1 1 4 4 TYR H H 4 8.448 8.448 8.307 0.141 18412 3472 1 9 . 1 1 5 5 GLY N N 5 105.816 105.816 106.227 -0.411 18412 3473 1 9 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.517 -0.375 18412 3474 1 9 . 1 1 5 5 GLY H H 5 8.250 8.250 8.377 -0.127 18412 3475 1 9 . 1 1 6 6 THR N N 6 119.523 119.523 119.339 0.184 18412 3476 1 9 . 1 1 6 6 THR HA H 6 3.802 3.802 4.093 -0.291 18412 3477 1 9 . 1 1 6 6 THR CA C 6 66.449 66.449 65.833 0.616 18412 3478 1 9 . 1 1 6 6 THR CB C 6 68.391 68.391 68.713 -0.322 18412 3479 1 9 . 1 1 6 6 THR H H 6 7.868 7.868 8.053 -0.185 18412 3480 1 9 . 1 1 7 7 LEU N N 7 123.502 123.502 123.353 0.149 18412 3481 1 9 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.795 0.444 18412 3482 1 9 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.943 0.282 18412 3483 1 9 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.567 -0.814 18412 3484 1 9 . 1 1 7 7 LEU H H 7 7.594 7.594 8.339 -0.745 18412 3485 1 9 . 1 1 8 8 LEU N N 8 115.222 115.222 118.045 -2.823 18412 3486 1 9 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.329 -0.056 18412 3487 1 9 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.159 -0.025 18412 3488 1 9 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.885 0.251 18412 3489 1 9 . 1 1 8 8 LEU H H 8 7.654 7.654 7.920 -0.266 18412 3490 1 9 . 1 1 9 9 GLN N N 9 120.743 120.743 118.783 1.960 18412 3491 1 9 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.962 -0.083 18412 3492 1 9 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.118 -0.342 18412 3493 1 9 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.136 0.792 18412 3494 1 9 . 1 1 9 9 GLN H H 9 7.688 7.688 7.451 0.237 18412 3495 1 9 . 1 1 10 10 ASP N N 10 122.554 122.554 120.549 2.005 18412 3496 1 9 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.351 -0.018 18412 3497 1 9 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.590 0.087 18412 3498 1 9 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.604 -0.667 18412 3499 1 9 . 1 1 10 10 ASP H H 10 8.656 8.656 8.181 0.474 18412 3500 1 9 . 1 1 11 11 LEU N N 11 119.408 119.408 116.998 2.410 18412 3501 1 9 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.286 -0.400 18412 3502 1 9 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.644 0.841 18412 3503 1 9 . 1 1 11 11 LEU CB C 11 43.253 43.253 40.895 2.358 18412 3504 1 9 . 1 1 11 11 LEU H H 11 8.805 8.805 7.688 1.117 18412 3505 1 9 . 1 1 12 12 THR N N 12 113.945 113.945 115.515 -1.570 18412 3506 1 9 . 1 1 12 12 THR HA H 12 3.875 3.875 4.015 -0.140 18412 3507 1 9 . 1 1 12 12 THR CA C 12 67.829 67.829 67.132 0.697 18412 3508 1 9 . 1 1 12 12 THR CB C 12 68.521 68.521 68.538 -0.017 18412 3509 1 9 . 1 1 12 12 THR H H 12 8.305 8.305 8.024 0.281 18412 3510 1 9 . 1 1 13 13 ASN N N 13 119.138 119.138 116.103 3.035 18412 3511 1 9 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.592 -0.002 18412 3512 1 9 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.283 -0.633 18412 3513 1 9 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.449 -0.186 18412 3514 1 9 . 1 1 13 13 ASN H H 13 8.180 8.180 8.206 -0.026 18412 3515 1 9 . 1 1 14 14 ASN N N 14 117.905 117.905 115.858 2.047 18412 3516 1 9 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.698 0.128 18412 3517 1 9 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.220 0.138 18412 3518 1 9 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.595 1.863 18412 3519 1 9 . 1 1 14 14 ASN H H 14 7.778 7.778 7.777 0.001 18412 3520 1 9 . 1 1 15 15 ILE N N 15 120.690 120.690 121.815 -1.125 18412 3521 1 9 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.108 0.603 18412 3522 1 9 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.641 0.236 18412 3523 1 9 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.480 4.864 18412 3524 1 9 . 1 1 15 15 ILE H H 15 7.234 7.234 7.521 -0.287 18412 3525 1 9 . 1 1 16 16 THR N N 16 120.066 120.066 117.992 2.074 18412 3526 1 9 . 1 1 16 16 THR HA H 16 4.536 4.536 4.545 -0.009 18412 3527 1 9 . 1 1 16 16 THR CA C 16 60.804 60.804 59.929 0.875 18412 3528 1 9 . 1 1 16 16 THR CB C 16 71.263 71.263 71.554 -0.291 18412 3529 1 9 . 1 1 16 16 THR H H 16 9.188 9.188 8.027 1.161 18412 3530 1 9 . 1 1 17 17 LEU N N 17 121.043 121.043 122.847 -1.804 18412 3531 1 9 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.914 0.082 18412 3532 1 9 . 1 1 17 17 LEU CA C 17 58.693 58.693 59.005 -0.312 18412 3533 1 9 . 1 1 17 17 LEU CB C 17 41.327 41.327 40.836 0.491 18412 3534 1 9 . 1 1 17 17 LEU H H 17 8.662 8.662 8.906 -0.244 18412 3535 1 9 . 1 1 18 18 GLU N N 18 118.968 118.968 118.799 0.169 18412 3536 1 9 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.855 0.092 18412 3537 1 9 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.666 0.320 18412 3538 1 9 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.329 -0.181 18412 3539 1 9 . 1 1 18 18 GLU H H 18 8.374 8.374 8.630 -0.256 18412 3540 1 9 . 1 1 19 19 ASP N N 19 121.542 121.542 121.067 0.475 18412 3541 1 9 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.336 -0.193 18412 3542 1 9 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.288 -0.697 18412 3543 1 9 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.342 0.970 18412 3544 1 9 . 1 1 19 19 ASP H H 19 7.857 7.857 8.678 -0.821 18412 3545 1 9 . 1 1 20 20 LEU N N 20 120.904 120.904 121.154 -0.250 18412 3546 1 9 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.797 -0.380 18412 3547 1 9 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.239 -1.325 18412 3548 1 9 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.700 -0.598 18412 3549 1 9 . 1 1 20 20 LEU H H 20 8.412 8.412 8.463 -0.051 18412 3550 1 9 . 1 1 21 21 GLU N N 21 117.187 117.187 118.685 -1.498 18412 3551 1 9 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.767 0.031 18412 3552 1 9 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.477 -0.206 18412 3553 1 9 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.168 -0.251 18412 3554 1 9 . 1 1 21 21 GLU H H 21 7.462 7.462 8.251 -0.789 18412 3555 1 9 . 1 1 22 22 GLN N N 22 118.617 118.617 120.231 -1.614 18412 3556 1 9 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.088 -0.069 18412 3557 1 9 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.191 0.396 18412 3558 1 9 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.280 -0.045 18412 3559 1 9 . 1 1 22 22 GLN H H 22 7.135 7.135 8.026 -0.891 18412 3560 1 9 . 1 1 23 23 LEU N N 23 121.325 121.325 120.303 1.022 18412 3561 1 9 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.784 -0.079 18412 3562 1 9 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.698 0.087 18412 3563 1 9 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.149 -1.529 18412 3564 1 9 . 1 1 23 23 LEU H H 23 7.833 7.833 8.151 -0.318 18412 3565 1 9 . 1 1 24 24 LYS N N 24 116.045 116.045 118.776 -2.731 18412 3566 1 9 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.528 0.122 18412 3567 1 9 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.600 0.945 18412 3568 1 9 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.936 -0.124 18412 3569 1 9 . 1 1 24 24 LYS H H 24 8.307 8.307 8.395 -0.088 18412 3570 1 9 . 1 1 25 25 SER N N 25 116.071 116.071 115.327 0.744 18412 3571 1 9 . 1 1 25 25 SER HA H 25 4.111 4.111 4.127 -0.016 18412 3572 1 9 . 1 1 25 25 SER CA C 25 61.557 61.557 61.474 0.083 18412 3573 1 9 . 1 1 25 25 SER CB C 25 62.565 62.565 62.561 0.004 18412 3574 1 9 . 1 1 25 25 SER H H 25 7.781 7.781 7.966 -0.185 18412 3575 1 9 . 1 1 26 26 ALA N N 26 123.448 123.448 124.543 -1.095 18412 3576 1 9 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.008 0.167 18412 3577 1 9 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.828 -0.579 18412 3578 1 9 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.306 0.407 18412 3579 1 9 . 1 1 26 26 ALA H H 26 7.735 7.735 7.866 -0.131 18412 3580 1 9 . 1 1 27 27 CYS N N 27 113.480 113.480 115.227 -1.747 18412 3581 1 9 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.284 0.347 18412 3582 1 9 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.705 -1.324 18412 3583 1 9 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.642 1.992 18412 3584 1 9 . 1 1 27 27 CYS H H 27 7.390 7.390 8.249 -0.859 18412 3585 1 9 . 1 1 28 28 LYS N N 28 118.354 118.354 120.403 -2.049 18412 3586 1 9 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.979 -0.034 18412 3587 1 9 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.426 -1.006 18412 3588 1 9 . 1 1 28 28 LYS CB C 28 31.547 31.547 32.109 -0.562 18412 3589 1 9 . 1 1 28 28 LYS H H 28 7.634 7.634 7.292 0.342 18412 3590 1 9 . 1 1 29 29 GLU N N 29 118.875 118.875 116.799 2.076 18412 3591 1 9 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.179 -0.022 18412 3592 1 9 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.314 -0.074 18412 3593 1 9 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.788 -0.924 18412 3594 1 9 . 1 1 29 29 GLU H H 29 8.552 8.552 8.302 0.250 18412 3595 1 9 . 1 1 30 30 ASP N N 30 117.610 117.610 117.913 -0.303 18412 3596 1 9 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.738 -0.150 18412 3597 1 9 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.352 0.531 18412 3598 1 9 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.784 -0.257 18412 3599 1 9 . 1 1 30 30 ASP H H 30 7.962 7.962 7.527 0.435 18412 3600 1 9 . 1 1 31 31 ILE N N 31 116.930 116.930 122.192 -5.262 18412 3601 1 9 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.703 -0.336 18412 3602 1 9 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.419 0.615 18412 3603 1 9 . 1 1 31 31 ILE CB C 31 38.769 38.769 40.069 -1.300 18412 3604 1 9 . 1 1 31 31 ILE H H 31 7.317 7.317 8.306 -0.989 18412 3605 1 9 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.584 -0.123 18412 3606 1 9 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.988 -0.143 18412 3607 1 9 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.396 0.118 18412 3608 1 9 . 1 1 33 33 SER N N 33 119.808 119.808 120.186 -0.378 18412 3609 1 9 . 1 1 33 33 SER HA H 33 4.141 4.141 3.906 0.235 18412 3610 1 9 . 1 1 33 33 SER CA C 33 61.125 61.125 62.670 -1.545 18412 3611 1 9 . 1 1 33 33 SER CB C 33 63.000 63.000 63.345 -0.345 18412 3612 1 9 . 1 1 33 33 SER H H 33 8.778 8.778 8.916 -0.138 18412 3613 1 9 . 1 1 34 34 GLU N N 34 120.906 120.906 119.657 1.249 18412 3614 1 9 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.095 0.110 18412 3615 1 9 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.454 -0.754 18412 3616 1 9 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.418 -0.706 18412 3617 1 9 . 1 1 34 34 GLU H H 34 9.336 9.336 8.735 0.601 18412 3618 1 9 . 1 1 35 35 LYS N N 35 117.698 117.698 118.055 -0.357 18412 3619 1 9 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.981 0.366 18412 3620 1 9 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.846 -2.385 18412 3621 1 9 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.389 0.868 18412 3622 1 9 . 1 1 35 35 LYS H H 35 7.659 7.659 7.850 -0.191 18412 3623 1 9 . 1 1 36 36 SER N N 36 114.472 114.472 115.347 -0.875 18412 3624 1 9 . 1 1 36 36 SER HA H 36 3.652 3.652 3.963 -0.311 18412 3625 1 9 . 1 1 36 36 SER CA C 36 61.450 61.450 61.531 -0.081 18412 3626 1 9 . 1 1 36 36 SER CB C 36 62.820 62.820 62.799 0.021 18412 3627 1 9 . 1 1 36 36 SER H H 36 7.732 7.732 8.367 -0.635 18412 3628 1 9 . 1 1 37 37 GLU N N 37 118.258 118.258 119.459 -1.201 18412 3629 1 9 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.060 -0.090 18412 3630 1 9 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.595 -0.482 18412 3631 1 9 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.291 0.253 18412 3632 1 9 . 1 1 37 37 GLU H H 37 8.187 8.187 7.676 0.511 18412 3633 1 9 . 1 1 38 38 GLU N N 38 115.652 115.652 116.303 -0.651 18412 3634 1 9 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.213 -0.017 18412 3635 1 9 . 1 1 38 38 GLU CA C 38 56.494 56.494 57.145 -0.651 18412 3636 1 9 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.789 0.313 18412 3637 1 9 . 1 1 38 38 GLU H H 38 7.472 7.472 7.671 -0.199 18412 3638 1 9 . 1 1 39 39 ILE N N 39 121.367 121.367 123.334 -1.967 18412 3639 1 9 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.147 -0.162 18412 3640 1 9 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.039 -0.120 18412 3641 1 9 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.669 1.735 18412 3642 1 9 . 1 1 39 39 ILE H H 39 7.504 7.504 7.466 0.038 18412 3643 1 9 . 1 1 40 40 THR N N 40 115.102 115.102 118.188 -3.086 18412 3644 1 9 . 1 1 40 40 THR HA H 40 4.459 4.459 4.405 0.054 18412 3645 1 9 . 1 1 40 40 THR CA C 40 61.169 61.169 62.481 -1.312 18412 3646 1 9 . 1 1 40 40 THR CB C 40 69.913 69.913 68.537 1.377 18412 3647 1 9 . 1 1 40 40 THR H H 40 8.173 8.173 8.273 -0.100 18412 3648 1 9 . 1 1 41 41 THR N N 41 108.664 108.664 112.743 -4.079 18412 3649 1 9 . 1 1 41 41 THR HA H 41 4.602 4.602 4.527 0.075 18412 3650 1 9 . 1 1 41 41 THR CA C 41 59.116 59.116 60.320 -1.204 18412 3651 1 9 . 1 1 41 41 THR CB C 41 73.442 73.442 70.510 2.932 18412 3652 1 9 . 1 1 41 41 THR H H 41 7.104 7.104 7.391 -0.287 18412 3653 1 9 . 1 1 42 42 GLY N N 42 109.200 109.200 111.418 -2.218 18412 3654 1 9 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.175 0.336 18412 3655 1 9 . 1 1 42 42 GLY H H 42 9.196 9.196 9.098 0.098 18412 3656 1 9 . 1 1 43 43 SER N N 43 114.564 114.564 117.228 -2.664 18412 3657 1 9 . 1 1 43 43 SER HA H 43 4.360 4.360 4.443 -0.083 18412 3658 1 9 . 1 1 43 43 SER CA C 43 61.523 61.523 61.938 -0.415 18412 3659 1 9 . 1 1 43 43 SER CB C 43 62.448 62.448 63.212 -0.764 18412 3660 1 9 . 1 1 43 43 SER H H 43 8.208 8.208 8.222 -0.014 18412 3661 1 9 . 1 1 44 44 ALA N N 44 123.757 123.757 124.624 -0.867 18412 3662 1 9 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.155 0.126 18412 3663 1 9 . 1 1 44 44 ALA CA C 44 54.526 54.526 55.125 -0.599 18412 3664 1 9 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.396 0.937 18412 3665 1 9 . 1 1 44 44 ALA H H 44 7.964 7.964 8.150 -0.186 18412 3666 1 9 . 1 1 45 45 TRP N N 45 122.904 122.904 120.578 2.326 18412 3667 1 9 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.367 -0.139 18412 3668 1 9 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.346 1.284 18412 3669 1 9 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.154 -1.630 18412 3670 1 9 . 1 1 45 45 TRP H H 45 8.001 8.001 7.768 0.233 18412 3671 1 9 . 1 1 46 46 PHE N N 46 116.699 116.699 118.716 -2.017 18412 3672 1 9 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.631 0.255 18412 3673 1 9 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.958 -0.266 18412 3674 1 9 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.112 -0.267 18412 3675 1 9 . 1 1 46 46 PHE H H 46 8.250 8.250 7.959 0.291 18412 3676 1 9 . 1 1 47 47 SER N N 47 113.740 113.740 115.951 -2.211 18412 3677 1 9 . 1 1 47 47 SER HA H 47 4.419 4.419 4.498 -0.079 18412 3678 1 9 . 1 1 47 47 SER CA C 47 61.723 61.723 61.525 0.198 18412 3679 1 9 . 1 1 47 47 SER CB C 47 62.769 62.769 62.628 0.141 18412 3680 1 9 . 1 1 47 47 SER H H 47 8.331 8.331 8.929 -0.598 18412 3681 1 9 . 1 1 48 48 PHE N N 48 124.310 124.310 124.056 0.254 18412 3682 1 9 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.189 0.063 18412 3683 1 9 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.093 0.694 18412 3684 1 9 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.845 0.086 18412 3685 1 9 . 1 1 48 48 PHE H H 48 8.175 8.175 8.105 0.070 18412 3686 1 9 . 1 1 49 49 LEU N N 49 120.565 120.565 120.514 0.051 18412 3687 1 9 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.398 0.123 18412 3688 1 9 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.095 0.138 18412 3689 1 9 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.317 0.208 18412 3690 1 9 . 1 1 49 49 LEU H H 49 8.212 8.212 8.510 -0.298 18412 3691 1 9 . 1 1 50 50 GLU N N 50 120.639 120.639 117.601 3.038 18412 3692 1 9 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.215 0.361 18412 3693 1 9 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.859 0.317 18412 3694 1 9 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.475 1.149 18412 3695 1 9 . 1 1 50 50 GLU H H 50 8.702 8.702 8.608 0.094 18412 3696 1 9 . 1 1 51 51 SER N N 51 116.044 116.044 113.030 3.014 18412 3697 1 9 . 1 1 51 51 SER HA H 51 4.178 4.178 4.279 -0.101 18412 3698 1 9 . 1 1 51 51 SER CA C 51 60.575 60.575 60.411 0.164 18412 3699 1 9 . 1 1 51 51 SER CB C 51 62.881 62.881 63.590 -0.709 18412 3700 1 9 . 1 1 51 51 SER H H 51 8.272 8.272 7.688 0.584 18412 3701 1 9 . 1 1 52 52 HIS N N 52 118.134 118.134 117.778 0.356 18412 3702 1 9 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.594 -0.190 18412 3703 1 9 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.596 2.821 18412 3704 1 9 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.260 -2.840 18412 3705 1 9 . 1 1 52 52 HIS H H 52 7.217 7.217 7.397 -0.180 18412 3706 1 9 . 1 1 53 53 ASN N N 53 113.597 113.597 117.501 -3.904 18412 3707 1 9 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.568 -0.058 18412 3708 1 9 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.239 1.566 18412 3709 1 9 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.184 -0.421 18412 3710 1 9 . 1 1 53 53 ASN H H 53 7.893 7.893 8.759 -0.866 18412 3711 1 9 . 1 1 54 54 LYS N N 54 113.123 113.123 118.506 -5.383 18412 3712 1 9 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.262 -0.027 18412 3713 1 9 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.103 -0.840 18412 3714 1 9 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.224 0.320 18412 3715 1 9 . 1 1 54 54 LYS H H 54 8.082 8.082 7.587 0.495 18412 3716 1 9 . 1 1 55 55 LEU N N 55 120.215 120.215 119.732 0.483 18412 3717 1 9 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.569 0.086 18412 3718 1 9 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.624 0.643 18412 3719 1 9 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.572 2.805 18412 3720 1 9 . 1 1 55 55 LEU H H 55 6.882 6.882 7.196 -0.314 18412 3721 1 9 . 1 1 56 56 ASP N N 56 120.831 120.831 126.871 -6.040 18412 3722 1 9 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.640 -0.248 18412 3723 1 9 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.662 -0.996 18412 3724 1 9 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.795 -0.480 18412 3725 1 9 . 1 1 56 56 ASP H H 56 8.078 8.078 8.426 -0.348 18412 3726 1 9 . 1 1 57 57 LYS N N 57 115.203 115.203 119.875 -4.672 18412 3727 1 9 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.044 -0.679 18412 3728 1 9 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.543 0.109 18412 3729 1 9 . 1 1 57 57 LYS CB C 57 31.318 31.318 31.971 -0.653 18412 3730 1 9 . 1 1 57 57 LYS H H 57 7.958 7.958 8.680 -0.722 18412 3731 1 9 . 1 1 58 58 ASP N N 58 118.074 118.074 114.848 3.226 18412 3732 1 9 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.406 0.551 18412 3733 1 9 . 1 1 58 58 ASP CA C 58 54.283 54.283 55.043 -0.760 18412 3734 1 9 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.135 1.924 18412 3735 1 9 . 1 1 58 58 ASP H H 58 8.336 8.336 8.173 0.163 18412 3736 1 9 . 1 1 59 59 ASN N N 59 119.835 119.835 118.101 1.734 18412 3737 1 9 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.790 0.170 18412 3738 1 9 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.059 -0.330 18412 3739 1 9 . 1 1 59 59 ASN CB C 59 38.877 38.877 39.458 -0.581 18412 3740 1 9 . 1 1 59 59 ASN H H 59 7.850 7.850 7.556 0.294 18412 3741 1 9 . 1 1 60 60 LEU N N 60 125.541 125.541 119.728 5.813 18412 3742 1 9 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.196 -0.636 18412 3743 1 9 . 1 1 60 60 LEU CA C 60 54.248 54.248 55.663 -1.415 18412 3744 1 9 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.889 -0.699 18412 3745 1 9 . 1 1 60 60 LEU H H 60 8.995 8.995 8.475 0.520 18412 3746 1 9 . 1 1 61 61 SER N N 61 114.344 114.344 117.745 -3.401 18412 3747 1 9 . 1 1 61 61 SER HA H 61 4.159 4.159 4.145 0.014 18412 3748 1 9 . 1 1 61 61 SER CA C 61 62.002 62.002 61.464 0.538 18412 3749 1 9 . 1 1 61 61 SER CB C 61 62.987 62.987 62.728 0.259 18412 3750 1 9 . 1 1 61 61 SER H H 61 7.880 7.880 7.975 -0.095 18412 3751 1 9 . 1 1 62 62 TYR N N 62 125.087 125.087 122.831 2.256 18412 3752 1 9 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.209 0.090 18412 3753 1 9 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.967 0.238 18412 3754 1 9 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.830 0.095 18412 3755 1 9 . 1 1 62 62 TYR H H 62 8.765 8.765 7.507 1.258 18412 3756 1 9 . 1 1 63 63 ILE N N 63 111.338 111.338 116.092 -4.754 18412 3757 1 9 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.835 -0.193 18412 3758 1 9 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.138 0.980 18412 3759 1 9 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.171 -0.788 18412 3760 1 9 . 1 1 63 63 ILE H H 63 7.631 7.631 7.795 -0.164 18412 3761 1 9 . 1 1 64 64 GLU N N 64 121.049 121.049 122.076 -1.027 18412 3762 1 9 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.114 -0.389 18412 3763 1 9 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.211 0.684 18412 3764 1 9 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.642 0.596 18412 3765 1 9 . 1 1 64 64 GLU H H 64 7.987 7.987 8.587 -0.600 18412 3766 1 9 . 1 1 65 65 HIS N N 65 117.657 117.657 119.070 -1.413 18412 3767 1 9 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.292 0.146 18412 3768 1 9 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.532 -0.510 18412 3769 1 9 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.599 -1.012 18412 3770 1 9 . 1 1 65 65 HIS H H 65 7.513 7.513 7.805 -0.292 18412 3771 1 9 . 1 1 66 66 ILE N N 66 118.281 118.281 118.946 -0.665 18412 3772 1 9 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.439 -0.012 18412 3773 1 9 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.601 -1.863 18412 3774 1 9 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.276 -1.190 18412 3775 1 9 . 1 1 66 66 ILE H H 66 7.924 7.924 7.417 0.507 18412 3776 1 9 . 1 1 67 67 PHE N N 67 121.084 121.084 116.686 4.398 18412 3777 1 9 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.170 0.296 18412 3778 1 9 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.054 -3.372 18412 3779 1 9 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.729 -1.051 18412 3780 1 9 . 1 1 67 67 PHE H H 67 8.737 8.737 8.083 0.654 18412 3781 1 9 . 1 1 68 68 GLU N N 68 120.739 120.739 120.026 0.713 18412 3782 1 9 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.117 -0.031 18412 3783 1 9 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.725 1.375 18412 3784 1 9 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.544 0.191 18412 3785 1 9 . 1 1 68 68 GLU H H 68 8.228 8.228 7.649 0.579 18412 3786 1 9 . 1 1 69 69 ILE N N 69 117.535 117.535 113.852 3.683 18412 3787 1 9 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.916 0.124 18412 3788 1 9 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.376 0.855 18412 3789 1 9 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.792 -0.165 18412 3790 1 9 . 1 1 69 69 ILE H H 69 8.393 8.393 7.749 0.644 18412 3791 1 9 . 1 1 70 70 SER N N 70 115.058 115.058 116.086 -1.028 18412 3792 1 9 . 1 1 70 70 SER HA H 70 4.419 4.419 4.361 0.058 18412 3793 1 9 . 1 1 70 70 SER CA C 70 58.502 58.502 57.182 1.320 18412 3794 1 9 . 1 1 70 70 SER CB C 70 63.029 63.029 64.361 -1.332 18412 3795 1 9 . 1 1 70 70 SER H H 70 7.857 7.857 7.830 0.027 18412 3796 1 9 . 1 1 71 71 ARG N N 71 115.621 115.621 125.393 -9.772 18412 3797 1 9 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.284 -0.382 18412 3798 1 9 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.403 0.049 18412 3799 1 9 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.755 -1.405 18412 3800 1 9 . 1 1 71 71 ARG H H 71 7.753 7.753 8.681 -0.928 18412 3801 1 9 . 1 1 72 72 ARG N N 72 115.226 115.226 119.241 -4.015 18412 3802 1 9 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.762 0.312 18412 3803 1 9 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.944 -4.331 18412 3804 1 9 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.000 -1.438 18412 3805 1 9 . 1 1 72 72 ARG H H 72 8.006 8.006 8.363 -0.357 18412 3806 1 9 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.593 -0.256 18412 3807 1 9 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.700 -0.002 18412 3808 1 9 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.844 -0.515 18412 3809 1 9 . 1 1 74 74 ASP N N 74 118.600 118.600 118.738 -0.138 18412 3810 1 9 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.387 -0.207 18412 3811 1 9 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.442 -1.452 18412 3812 1 9 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.805 -1.770 18412 3813 1 9 . 1 1 74 74 ASP H H 74 9.152 9.152 8.623 0.529 18412 3814 1 9 . 1 1 75 75 LEU N N 75 120.762 120.762 119.966 0.796 18412 3815 1 9 . 1 1 75 75 LEU HA H 75 3.907 3.907 4.010 -0.103 18412 3816 1 9 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.106 -0.744 18412 3817 1 9 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.287 -2.648 18412 3818 1 9 . 1 1 75 75 LEU H H 75 7.044 7.044 7.355 -0.311 18412 3819 1 9 . 1 1 76 76 LEU N N 76 118.917 118.917 120.820 -1.903 18412 3820 1 9 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.000 0.118 18412 3821 1 9 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.906 -0.052 18412 3822 1 9 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.402 1.204 18412 3823 1 9 . 1 1 76 76 LEU H H 76 7.850 7.850 7.755 0.095 18412 3824 1 9 . 1 1 77 77 THR N N 77 114.574 114.574 115.620 -1.046 18412 3825 1 9 . 1 1 77 77 THR HA H 77 3.830 3.830 3.900 -0.070 18412 3826 1 9 . 1 1 77 77 THR CA C 77 66.882 66.882 67.005 -0.123 18412 3827 1 9 . 1 1 77 77 THR CB C 77 68.991 68.991 68.295 0.696 18412 3828 1 9 . 1 1 77 77 THR H H 77 8.287 8.287 8.157 0.130 18412 3829 1 9 . 1 1 78 78 MET N N 78 118.873 118.873 120.168 -1.295 18412 3830 1 9 . 1 1 78 78 MET HA H 78 4.155 4.155 4.023 0.132 18412 3831 1 9 . 1 1 78 78 MET CA C 78 59.838 59.838 59.725 0.113 18412 3832 1 9 . 1 1 78 78 MET CB C 78 32.697 32.697 32.108 0.589 18412 3833 1 9 . 1 1 78 78 MET H H 78 7.032 7.032 7.573 -0.541 18412 3834 1 9 . 1 1 79 79 VAL N N 79 120.046 120.046 119.780 0.266 18412 3835 1 9 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.858 -0.137 18412 3836 1 9 . 1 1 79 79 VAL CA C 79 66.981 66.981 65.779 1.202 18412 3837 1 9 . 1 1 79 79 VAL CB C 79 32.032 32.032 30.571 1.461 18412 3838 1 9 . 1 1 79 79 VAL H H 79 7.633 7.633 7.768 -0.135 18412 3839 1 9 . 1 1 80 80 VAL N N 80 121.510 121.510 121.826 -0.316 18412 3840 1 9 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.683 -0.142 18412 3841 1 9 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.273 -0.168 18412 3842 1 9 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.448 0.399 18412 3843 1 9 . 1 1 80 80 VAL H H 80 8.601 8.601 8.699 -0.098 18412 3844 1 9 . 1 1 81 81 ASP N N 81 121.760 121.760 119.797 1.963 18412 3845 1 9 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.363 -0.010 18412 3846 1 9 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.293 0.383 18412 3847 1 9 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.760 -0.189 18412 3848 1 9 . 1 1 81 81 ASP H H 81 8.677 8.677 8.589 0.088 18412 3849 1 9 . 1 1 82 82 TYR N N 82 121.025 121.025 121.139 -0.114 18412 3850 1 9 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.118 0.069 18412 3851 1 9 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.414 0.089 18412 3852 1 9 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.470 0.153 18412 3853 1 9 . 1 1 82 82 TYR H H 82 7.608 7.608 8.090 -0.482 18412 3854 1 9 . 1 1 83 83 ARG N N 83 119.379 119.379 118.395 0.984 18412 3855 1 9 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.684 -0.013 18412 3856 1 9 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.226 0.651 18412 3857 1 9 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.544 0.834 18412 3858 1 9 . 1 1 83 83 ARG H H 83 8.596 8.596 8.235 0.361 18412 3859 1 9 . 1 1 84 84 THR N N 84 113.330 113.330 116.271 -2.941 18412 3860 1 9 . 1 1 84 84 THR HA H 84 3.946 3.946 4.034 -0.088 18412 3861 1 9 . 1 1 84 84 THR CA C 84 65.316 65.316 66.884 -1.568 18412 3862 1 9 . 1 1 84 84 THR CB C 84 69.273 69.273 68.435 0.838 18412 3863 1 9 . 1 1 84 84 THR H H 84 8.305 8.305 7.958 0.347 18412 3864 1 9 . 1 1 85 85 ARG N N 85 121.457 121.457 121.718 -0.261 18412 3865 1 9 . 1 1 85 85 ARG HA H 85 4.057 4.057 3.978 0.079 18412 3866 1 9 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.387 -0.482 18412 3867 1 9 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.167 1.638 18412 3868 1 9 . 1 1 85 85 ARG H H 85 7.949 7.949 8.279 -0.330 18412 3869 1 9 . 1 1 86 86 VAL N N 86 117.232 117.232 120.084 -2.852 18412 3870 1 9 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.721 0.076 18412 3871 1 9 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.305 -2.041 18412 3872 1 9 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.244 0.463 18412 3873 1 9 . 1 1 86 86 VAL H H 86 7.962 7.962 8.146 -0.184 18412 3874 1 9 . 1 1 87 87 LEU N N 87 120.870 120.870 122.038 -1.168 18412 3875 1 9 . 1 1 87 87 LEU HA H 87 4.158 4.158 4.009 0.149 18412 3876 1 9 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.219 -2.163 18412 3877 1 9 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.208 0.525 18412 3878 1 9 . 1 1 87 87 LEU H H 87 7.463 7.463 7.463 -0.000 18412 3879 1 9 . 1 1 88 88 LYS N N 88 118.925 118.925 119.100 -0.175 18412 3880 1 9 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.123 0.045 18412 3881 1 9 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.113 -1.424 18412 3882 1 9 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.953 -0.831 18412 3883 1 9 . 1 1 88 88 LYS H H 88 7.602 7.602 7.966 -0.364 18412 3884 1 9 . 1 1 89 89 ILE N N 89 120.845 120.845 119.063 1.782 18412 3885 1 9 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.875 0.174 18412 3886 1 9 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.788 -0.921 18412 3887 1 9 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.675 -0.015 18412 3888 1 9 . 1 1 89 89 ILE H H 89 7.882 7.882 7.891 -0.009 18412 3889 1 10 . 1 1 2 2 ALA N N 2 124.384 124.384 123.641 0.743 18412 3890 1 10 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.184 0.015 18412 3891 1 10 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.282 -0.630 18412 3892 1 10 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.852 0.533 18412 3893 1 10 . 1 1 2 2 ALA H H 2 8.326 8.326 8.408 -0.082 18412 3894 1 10 . 1 1 3 3 GLU N N 3 118.800 118.800 118.300 0.500 18412 3895 1 10 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.085 0.113 18412 3896 1 10 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.781 -0.377 18412 3897 1 10 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.894 0.662 18412 3898 1 10 . 1 1 3 3 GLU H H 3 8.411 8.411 9.157 -0.746 18412 3899 1 10 . 1 1 4 4 TYR N N 4 123.838 123.838 120.452 3.386 18412 3900 1 10 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.702 0.302 18412 3901 1 10 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.213 0.419 18412 3902 1 10 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.674 0.728 18412 3903 1 10 . 1 1 4 4 TYR H H 4 8.448 8.448 8.327 0.121 18412 3904 1 10 . 1 1 5 5 GLY N N 5 105.816 105.816 106.344 -0.528 18412 3905 1 10 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.508 -0.366 18412 3906 1 10 . 1 1 5 5 GLY H H 5 8.250 8.250 8.370 -0.120 18412 3907 1 10 . 1 1 6 6 THR N N 6 119.523 119.523 118.360 1.163 18412 3908 1 10 . 1 1 6 6 THR HA H 6 3.802 3.802 3.973 -0.171 18412 3909 1 10 . 1 1 6 6 THR CA C 6 66.449 66.449 65.868 0.581 18412 3910 1 10 . 1 1 6 6 THR CB C 6 68.391 68.391 68.466 -0.075 18412 3911 1 10 . 1 1 6 6 THR H H 6 7.868 7.868 8.112 -0.244 18412 3912 1 10 . 1 1 7 7 LEU N N 7 123.502 123.502 122.725 0.777 18412 3913 1 10 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.841 0.398 18412 3914 1 10 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.111 0.114 18412 3915 1 10 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.961 -1.208 18412 3916 1 10 . 1 1 7 7 LEU H H 7 7.594 7.594 8.224 -0.630 18412 3917 1 10 . 1 1 8 8 LEU N N 8 115.222 115.222 117.695 -2.473 18412 3918 1 10 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.466 -0.193 18412 3919 1 10 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.033 0.100 18412 3920 1 10 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.948 0.188 18412 3921 1 10 . 1 1 8 8 LEU H H 8 7.654 7.654 8.147 -0.493 18412 3922 1 10 . 1 1 9 9 GLN N N 9 120.743 120.743 119.610 1.133 18412 3923 1 10 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.993 -0.114 18412 3924 1 10 . 1 1 9 9 GLN CA C 9 58.776 58.776 58.705 0.071 18412 3925 1 10 . 1 1 9 9 GLN CB C 9 28.928 28.928 27.640 1.288 18412 3926 1 10 . 1 1 9 9 GLN H H 9 7.688 7.688 7.682 0.006 18412 3927 1 10 . 1 1 10 10 ASP N N 10 122.554 122.554 120.404 2.150 18412 3928 1 10 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.382 -0.049 18412 3929 1 10 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.273 0.404 18412 3930 1 10 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.353 -0.416 18412 3931 1 10 . 1 1 10 10 ASP H H 10 8.656 8.656 8.116 0.540 18412 3932 1 10 . 1 1 11 11 LEU N N 11 119.408 119.408 117.541 1.867 18412 3933 1 10 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.214 -0.328 18412 3934 1 10 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.075 0.410 18412 3935 1 10 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.062 2.191 18412 3936 1 10 . 1 1 11 11 LEU H H 11 8.805 8.805 7.706 1.099 18412 3937 1 10 . 1 1 12 12 THR N N 12 113.945 113.945 115.821 -1.876 18412 3938 1 10 . 1 1 12 12 THR HA H 12 3.875 3.875 4.047 -0.172 18412 3939 1 10 . 1 1 12 12 THR CA C 12 67.829 67.829 67.106 0.723 18412 3940 1 10 . 1 1 12 12 THR CB C 12 68.521 68.521 68.267 0.254 18412 3941 1 10 . 1 1 12 12 THR H H 12 8.305 8.305 8.130 0.175 18412 3942 1 10 . 1 1 13 13 ASN N N 13 119.138 119.138 118.742 0.396 18412 3943 1 10 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.552 0.038 18412 3944 1 10 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.765 -1.115 18412 3945 1 10 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.145 0.118 18412 3946 1 10 . 1 1 13 13 ASN H H 13 8.180 8.180 8.297 -0.117 18412 3947 1 10 . 1 1 14 14 ASN N N 14 117.905 117.905 115.444 2.461 18412 3948 1 10 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.712 0.114 18412 3949 1 10 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.039 0.319 18412 3950 1 10 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.458 2.000 18412 3951 1 10 . 1 1 14 14 ASN H H 14 7.778 7.778 7.620 0.158 18412 3952 1 10 . 1 1 15 15 ILE N N 15 120.690 120.690 121.822 -1.132 18412 3953 1 10 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.066 0.645 18412 3954 1 10 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.694 0.183 18412 3955 1 10 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.722 4.622 18412 3956 1 10 . 1 1 15 15 ILE H H 15 7.234 7.234 7.432 -0.198 18412 3957 1 10 . 1 1 16 16 THR N N 16 120.066 120.066 119.755 0.311 18412 3958 1 10 . 1 1 16 16 THR HA H 16 4.536 4.536 4.483 0.053 18412 3959 1 10 . 1 1 16 16 THR CA C 16 60.804 60.804 60.276 0.528 18412 3960 1 10 . 1 1 16 16 THR CB C 16 71.263 71.263 71.429 -0.166 18412 3961 1 10 . 1 1 16 16 THR H H 16 9.188 9.188 7.905 1.283 18412 3962 1 10 . 1 1 17 17 LEU N N 17 121.043 121.043 124.987 -3.944 18412 3963 1 10 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.922 0.074 18412 3964 1 10 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.829 -0.136 18412 3965 1 10 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.906 -0.579 18412 3966 1 10 . 1 1 17 17 LEU H H 17 8.662 8.662 8.916 -0.254 18412 3967 1 10 . 1 1 18 18 GLU N N 18 118.968 118.968 118.269 0.699 18412 3968 1 10 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.897 0.050 18412 3969 1 10 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.661 0.325 18412 3970 1 10 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.123 0.025 18412 3971 1 10 . 1 1 18 18 GLU H H 18 8.374 8.374 8.517 -0.143 18412 3972 1 10 . 1 1 19 19 ASP N N 19 121.542 121.542 121.413 0.129 18412 3973 1 10 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.336 -0.193 18412 3974 1 10 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.220 -0.629 18412 3975 1 10 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.269 1.043 18412 3976 1 10 . 1 1 19 19 ASP H H 19 7.857 7.857 8.413 -0.556 18412 3977 1 10 . 1 1 20 20 LEU N N 20 120.904 120.904 120.105 0.799 18412 3978 1 10 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.638 -0.221 18412 3979 1 10 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.413 -1.499 18412 3980 1 10 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.623 -0.521 18412 3981 1 10 . 1 1 20 20 LEU H H 20 8.412 8.412 8.315 0.097 18412 3982 1 10 . 1 1 21 21 GLU N N 21 117.187 117.187 117.833 -0.646 18412 3983 1 10 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.741 0.057 18412 3984 1 10 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.605 -0.334 18412 3985 1 10 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.050 -0.133 18412 3986 1 10 . 1 1 21 21 GLU H H 21 7.462 7.462 7.916 -0.454 18412 3987 1 10 . 1 1 22 22 GLN N N 22 118.617 118.617 120.255 -1.638 18412 3988 1 10 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.103 -0.084 18412 3989 1 10 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.184 0.403 18412 3990 1 10 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.603 -0.368 18412 3991 1 10 . 1 1 22 22 GLN H H 22 7.135 7.135 8.092 -0.957 18412 3992 1 10 . 1 1 23 23 LEU N N 23 121.325 121.325 120.233 1.092 18412 3993 1 10 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.783 -0.078 18412 3994 1 10 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.878 -0.093 18412 3995 1 10 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.145 -1.525 18412 3996 1 10 . 1 1 23 23 LEU H H 23 7.833 7.833 8.443 -0.610 18412 3997 1 10 . 1 1 24 24 LYS N N 24 116.045 116.045 118.837 -2.792 18412 3998 1 10 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.591 0.059 18412 3999 1 10 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.699 0.846 18412 4000 1 10 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.994 -0.182 18412 4001 1 10 . 1 1 24 24 LYS H H 24 8.307 8.307 8.383 -0.076 18412 4002 1 10 . 1 1 25 25 SER N N 25 116.071 116.071 115.281 0.790 18412 4003 1 10 . 1 1 25 25 SER HA H 25 4.111 4.111 4.132 -0.021 18412 4004 1 10 . 1 1 25 25 SER CA C 25 61.557 61.557 61.546 0.011 18412 4005 1 10 . 1 1 25 25 SER CB C 25 62.565 62.565 62.657 -0.092 18412 4006 1 10 . 1 1 25 25 SER H H 25 7.781 7.781 7.933 -0.152 18412 4007 1 10 . 1 1 26 26 ALA N N 26 123.448 123.448 124.445 -0.997 18412 4008 1 10 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.022 0.153 18412 4009 1 10 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.817 -0.568 18412 4010 1 10 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.346 0.367 18412 4011 1 10 . 1 1 26 26 ALA H H 26 7.735 7.735 7.995 -0.260 18412 4012 1 10 . 1 1 27 27 CYS N N 27 113.480 113.480 115.067 -1.587 18412 4013 1 10 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.346 0.285 18412 4014 1 10 . 1 1 27 27 CYS CA C 27 59.381 59.381 59.928 -0.547 18412 4015 1 10 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.401 2.233 18412 4016 1 10 . 1 1 27 27 CYS H H 27 7.390 7.390 8.342 -0.952 18412 4017 1 10 . 1 1 28 28 LYS N N 28 118.354 118.354 120.204 -1.850 18412 4018 1 10 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.993 -0.048 18412 4019 1 10 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.358 -0.938 18412 4020 1 10 . 1 1 28 28 LYS CB C 28 31.547 31.547 32.074 -0.527 18412 4021 1 10 . 1 1 28 28 LYS H H 28 7.634 7.634 7.287 0.347 18412 4022 1 10 . 1 1 29 29 GLU N N 29 118.875 118.875 116.778 2.097 18412 4023 1 10 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.200 -0.043 18412 4024 1 10 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.317 -0.077 18412 4025 1 10 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.856 -0.992 18412 4026 1 10 . 1 1 29 29 GLU H H 29 8.552 8.552 8.222 0.330 18412 4027 1 10 . 1 1 30 30 ASP N N 30 117.610 117.610 117.721 -0.111 18412 4028 1 10 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.723 -0.135 18412 4029 1 10 . 1 1 30 30 ASP CA C 30 55.883 55.883 56.068 -0.185 18412 4030 1 10 . 1 1 30 30 ASP CB C 30 41.527 41.527 42.133 -0.606 18412 4031 1 10 . 1 1 30 30 ASP H H 30 7.962 7.962 8.146 -0.184 18412 4032 1 10 . 1 1 31 31 ILE N N 31 116.930 116.930 122.081 -5.151 18412 4033 1 10 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.743 -0.376 18412 4034 1 10 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.414 0.619 18412 4035 1 10 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.958 -1.189 18412 4036 1 10 . 1 1 31 31 ILE H H 31 7.317 7.317 8.191 -0.874 18412 4037 1 10 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.595 -0.134 18412 4038 1 10 . 1 1 32 32 PRO CA C 32 62.845 62.845 63.025 -0.180 18412 4039 1 10 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.371 0.143 18412 4040 1 10 . 1 1 33 33 SER N N 33 119.808 119.808 119.404 0.404 18412 4041 1 10 . 1 1 33 33 SER HA H 33 4.141 4.141 3.940 0.201 18412 4042 1 10 . 1 1 33 33 SER CA C 33 61.125 61.125 62.079 -0.954 18412 4043 1 10 . 1 1 33 33 SER CB C 33 63.000 63.000 63.106 -0.106 18412 4044 1 10 . 1 1 33 33 SER H H 33 8.778 8.778 8.898 -0.120 18412 4045 1 10 . 1 1 34 34 GLU N N 34 120.906 120.906 119.106 1.800 18412 4046 1 10 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.070 0.135 18412 4047 1 10 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.544 -0.844 18412 4048 1 10 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.420 -0.708 18412 4049 1 10 . 1 1 34 34 GLU H H 34 9.336 9.336 8.655 0.681 18412 4050 1 10 . 1 1 35 35 LYS N N 35 117.698 117.698 117.413 0.285 18412 4051 1 10 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.988 0.359 18412 4052 1 10 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.509 -2.049 18412 4053 1 10 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.530 0.727 18412 4054 1 10 . 1 1 35 35 LYS H H 35 7.659 7.659 7.794 -0.135 18412 4055 1 10 . 1 1 36 36 SER N N 36 114.472 114.472 115.492 -1.020 18412 4056 1 10 . 1 1 36 36 SER HA H 36 3.652 3.652 3.997 -0.345 18412 4057 1 10 . 1 1 36 36 SER CA C 36 61.450 61.450 61.112 0.338 18412 4058 1 10 . 1 1 36 36 SER CB C 36 62.820 62.820 62.896 -0.076 18412 4059 1 10 . 1 1 36 36 SER H H 36 7.732 7.732 8.458 -0.726 18412 4060 1 10 . 1 1 37 37 GLU N N 37 118.258 118.258 120.316 -2.058 18412 4061 1 10 . 1 1 37 37 GLU HA H 37 3.970 3.970 3.974 -0.004 18412 4062 1 10 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.965 -0.852 18412 4063 1 10 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.203 0.341 18412 4064 1 10 . 1 1 37 37 GLU H H 37 8.187 8.187 7.579 0.608 18412 4065 1 10 . 1 1 38 38 GLU N N 38 115.652 115.652 116.593 -0.941 18412 4066 1 10 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.338 -0.142 18412 4067 1 10 . 1 1 38 38 GLU CA C 38 56.494 56.494 55.932 0.562 18412 4068 1 10 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.041 1.062 18412 4069 1 10 . 1 1 38 38 GLU H H 38 7.472 7.472 7.844 -0.372 18412 4070 1 10 . 1 1 39 39 ILE N N 39 121.367 121.367 123.161 -1.794 18412 4071 1 10 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.181 -0.196 18412 4072 1 10 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.020 -0.101 18412 4073 1 10 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.630 1.774 18412 4074 1 10 . 1 1 39 39 ILE H H 39 7.504 7.504 7.318 0.186 18412 4075 1 10 . 1 1 40 40 THR N N 40 115.102 115.102 117.857 -2.755 18412 4076 1 10 . 1 1 40 40 THR HA H 40 4.459 4.459 4.392 0.067 18412 4077 1 10 . 1 1 40 40 THR CA C 40 61.169 61.169 62.596 -1.427 18412 4078 1 10 . 1 1 40 40 THR CB C 40 69.913 69.913 69.174 0.739 18412 4079 1 10 . 1 1 40 40 THR H H 40 8.173 8.173 8.015 0.158 18412 4080 1 10 . 1 1 41 41 THR N N 41 108.664 108.664 112.032 -3.368 18412 4081 1 10 . 1 1 41 41 THR HA H 41 4.602 4.602 4.522 0.080 18412 4082 1 10 . 1 1 41 41 THR CA C 41 59.116 59.116 60.805 -1.689 18412 4083 1 10 . 1 1 41 41 THR CB C 41 73.442 73.442 70.821 2.621 18412 4084 1 10 . 1 1 41 41 THR H H 41 7.104 7.104 7.213 -0.109 18412 4085 1 10 . 1 1 42 42 GLY N N 42 109.200 109.200 111.867 -2.667 18412 4086 1 10 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.300 0.211 18412 4087 1 10 . 1 1 42 42 GLY H H 42 9.196 9.196 9.047 0.149 18412 4088 1 10 . 1 1 43 43 SER N N 43 114.564 114.564 117.620 -3.056 18412 4089 1 10 . 1 1 43 43 SER HA H 43 4.360 4.360 4.233 0.127 18412 4090 1 10 . 1 1 43 43 SER CA C 43 61.523 61.523 61.380 0.143 18412 4091 1 10 . 1 1 43 43 SER CB C 43 62.448 62.448 63.086 -0.638 18412 4092 1 10 . 1 1 43 43 SER H H 43 8.208 8.208 8.410 -0.202 18412 4093 1 10 . 1 1 44 44 ALA N N 44 123.757 123.757 124.526 -0.769 18412 4094 1 10 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.257 0.024 18412 4095 1 10 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.781 -0.255 18412 4096 1 10 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.060 1.273 18412 4097 1 10 . 1 1 44 44 ALA H H 44 7.964 7.964 8.199 -0.235 18412 4098 1 10 . 1 1 45 45 TRP N N 45 122.904 122.904 120.542 2.362 18412 4099 1 10 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.411 -0.183 18412 4100 1 10 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.380 1.250 18412 4101 1 10 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.297 -1.773 18412 4102 1 10 . 1 1 45 45 TRP H H 45 8.001 8.001 7.765 0.236 18412 4103 1 10 . 1 1 46 46 PHE N N 46 116.699 116.699 118.338 -1.639 18412 4104 1 10 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.593 0.293 18412 4105 1 10 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.027 -0.335 18412 4106 1 10 . 1 1 46 46 PHE CB C 46 37.845 37.845 37.999 -0.154 18412 4107 1 10 . 1 1 46 46 PHE H H 46 8.250 8.250 8.437 -0.187 18412 4108 1 10 . 1 1 47 47 SER N N 47 113.740 113.740 115.787 -2.047 18412 4109 1 10 . 1 1 47 47 SER HA H 47 4.419 4.419 4.446 -0.027 18412 4110 1 10 . 1 1 47 47 SER CA C 47 61.723 61.723 61.551 0.172 18412 4111 1 10 . 1 1 47 47 SER CB C 47 62.769 62.769 62.633 0.136 18412 4112 1 10 . 1 1 47 47 SER H H 47 8.331 8.331 8.770 -0.439 18412 4113 1 10 . 1 1 48 48 PHE N N 48 124.310 124.310 124.118 0.192 18412 4114 1 10 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.178 0.074 18412 4115 1 10 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.947 0.840 18412 4116 1 10 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.747 0.184 18412 4117 1 10 . 1 1 48 48 PHE H H 48 8.175 8.175 7.922 0.253 18412 4118 1 10 . 1 1 49 49 LEU N N 49 120.565 120.565 120.332 0.233 18412 4119 1 10 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.257 0.265 18412 4120 1 10 . 1 1 49 49 LEU CA C 49 58.233 58.233 57.944 0.289 18412 4121 1 10 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.307 0.218 18412 4122 1 10 . 1 1 49 49 LEU H H 49 8.212 8.212 8.499 -0.287 18412 4123 1 10 . 1 1 50 50 GLU N N 50 120.639 120.639 117.565 3.074 18412 4124 1 10 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.202 0.374 18412 4125 1 10 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.764 0.412 18412 4126 1 10 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.387 1.237 18412 4127 1 10 . 1 1 50 50 GLU H H 50 8.702 8.702 8.602 0.100 18412 4128 1 10 . 1 1 51 51 SER N N 51 116.044 116.044 113.427 2.617 18412 4129 1 10 . 1 1 51 51 SER HA H 51 4.178 4.178 4.307 -0.129 18412 4130 1 10 . 1 1 51 51 SER CA C 51 60.575 60.575 60.394 0.181 18412 4131 1 10 . 1 1 51 51 SER CB C 51 62.881 62.881 63.664 -0.783 18412 4132 1 10 . 1 1 51 51 SER H H 51 8.272 8.272 7.690 0.582 18412 4133 1 10 . 1 1 52 52 HIS N N 52 118.134 118.134 118.439 -0.305 18412 4134 1 10 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.572 -0.168 18412 4135 1 10 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.792 2.625 18412 4136 1 10 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.264 -2.844 18412 4137 1 10 . 1 1 52 52 HIS H H 52 7.217 7.217 7.384 -0.167 18412 4138 1 10 . 1 1 53 53 ASN N N 53 113.597 113.597 118.538 -4.941 18412 4139 1 10 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.596 -0.086 18412 4140 1 10 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.386 1.419 18412 4141 1 10 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.631 -0.868 18412 4142 1 10 . 1 1 53 53 ASN H H 53 7.893 7.893 8.722 -0.829 18412 4143 1 10 . 1 1 54 54 LYS N N 54 113.123 113.123 118.320 -5.197 18412 4144 1 10 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.291 -0.056 18412 4145 1 10 . 1 1 54 54 LYS CA C 54 54.263 54.263 54.685 -0.422 18412 4146 1 10 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.261 0.284 18412 4147 1 10 . 1 1 54 54 LYS H H 54 8.082 8.082 7.688 0.394 18412 4148 1 10 . 1 1 55 55 LEU N N 55 120.215 120.215 120.454 -0.239 18412 4149 1 10 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.490 0.165 18412 4150 1 10 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.192 0.075 18412 4151 1 10 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.261 3.116 18412 4152 1 10 . 1 1 55 55 LEU H H 55 6.882 6.882 7.234 -0.352 18412 4153 1 10 . 1 1 56 56 ASP N N 56 120.831 120.831 127.334 -6.503 18412 4154 1 10 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.755 -0.363 18412 4155 1 10 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.634 0.032 18412 4156 1 10 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.930 -0.615 18412 4157 1 10 . 1 1 56 56 ASP H H 56 8.078 8.078 8.513 -0.435 18412 4158 1 10 . 1 1 57 57 LYS N N 57 115.203 115.203 120.853 -5.650 18412 4159 1 10 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.142 -0.777 18412 4160 1 10 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.553 -0.902 18412 4161 1 10 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.186 -0.868 18412 4162 1 10 . 1 1 57 57 LYS H H 57 7.958 7.958 8.671 -0.713 18412 4163 1 10 . 1 1 58 58 ASP N N 58 118.074 118.074 113.291 4.783 18412 4164 1 10 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.394 0.563 18412 4165 1 10 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.880 -0.597 18412 4166 1 10 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.354 2.705 18412 4167 1 10 . 1 1 58 58 ASP H H 58 8.336 8.336 8.265 0.071 18412 4168 1 10 . 1 1 59 59 ASN N N 59 119.835 119.835 118.987 0.848 18412 4169 1 10 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.809 0.151 18412 4170 1 10 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.480 -0.751 18412 4171 1 10 . 1 1 59 59 ASN CB C 59 38.877 38.877 39.177 -0.300 18412 4172 1 10 . 1 1 59 59 ASN H H 59 7.850 7.850 8.132 -0.282 18412 4173 1 10 . 1 1 60 60 LEU N N 60 125.541 125.541 119.760 5.781 18412 4174 1 10 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.034 -0.474 18412 4175 1 10 . 1 1 60 60 LEU CA C 60 54.248 54.248 55.383 -1.135 18412 4176 1 10 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.906 -0.716 18412 4177 1 10 . 1 1 60 60 LEU H H 60 8.995 8.995 8.283 0.712 18412 4178 1 10 . 1 1 61 61 SER N N 61 114.344 114.344 117.731 -3.387 18412 4179 1 10 . 1 1 61 61 SER HA H 61 4.159 4.159 4.352 -0.193 18412 4180 1 10 . 1 1 61 61 SER CA C 61 62.002 62.002 61.709 0.293 18412 4181 1 10 . 1 1 61 61 SER CB C 61 62.987 62.987 62.990 -0.004 18412 4182 1 10 . 1 1 61 61 SER H H 61 7.880 7.880 8.305 -0.425 18412 4183 1 10 . 1 1 62 62 TYR N N 62 125.087 125.087 121.123 3.964 18412 4184 1 10 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.297 0.002 18412 4185 1 10 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.092 1.113 18412 4186 1 10 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.561 0.364 18412 4187 1 10 . 1 1 62 62 TYR H H 62 8.765 8.765 8.319 0.446 18412 4188 1 10 . 1 1 63 63 ILE N N 63 111.338 111.338 116.184 -4.846 18412 4189 1 10 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.848 -0.206 18412 4190 1 10 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.212 0.906 18412 4191 1 10 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.229 -0.846 18412 4192 1 10 . 1 1 63 63 ILE H H 63 7.631 7.631 7.826 -0.195 18412 4193 1 10 . 1 1 64 64 GLU N N 64 121.049 121.049 121.859 -0.810 18412 4194 1 10 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.127 -0.402 18412 4195 1 10 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.196 0.699 18412 4196 1 10 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.644 0.594 18412 4197 1 10 . 1 1 64 64 GLU H H 64 7.987 7.987 8.585 -0.598 18412 4198 1 10 . 1 1 65 65 HIS N N 65 117.657 117.657 119.118 -1.461 18412 4199 1 10 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.273 0.165 18412 4200 1 10 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.496 -0.474 18412 4201 1 10 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.666 -1.079 18412 4202 1 10 . 1 1 65 65 HIS H H 65 7.513 7.513 7.702 -0.189 18412 4203 1 10 . 1 1 66 66 ILE N N 66 118.281 118.281 118.975 -0.694 18412 4204 1 10 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.490 -0.063 18412 4205 1 10 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.720 -1.982 18412 4206 1 10 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.376 -1.290 18412 4207 1 10 . 1 1 66 66 ILE H H 66 7.924 7.924 7.458 0.466 18412 4208 1 10 . 1 1 67 67 PHE N N 67 121.084 121.084 116.506 4.578 18412 4209 1 10 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.426 0.040 18412 4210 1 10 . 1 1 67 67 PHE CA C 67 57.682 57.682 60.374 -2.692 18412 4211 1 10 . 1 1 67 67 PHE CB C 67 36.678 36.678 38.102 -1.424 18412 4212 1 10 . 1 1 67 67 PHE H H 67 8.737 8.737 8.150 0.587 18412 4213 1 10 . 1 1 68 68 GLU N N 68 120.739 120.739 120.987 -0.248 18412 4214 1 10 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.070 0.016 18412 4215 1 10 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.169 0.931 18412 4216 1 10 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.889 -0.154 18412 4217 1 10 . 1 1 68 68 GLU H H 68 8.228 8.228 7.771 0.457 18412 4218 1 10 . 1 1 69 69 ILE N N 69 117.535 117.535 114.231 3.304 18412 4219 1 10 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.870 0.170 18412 4220 1 10 . 1 1 69 69 ILE CA C 69 64.231 64.231 62.706 1.525 18412 4221 1 10 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.949 -0.322 18412 4222 1 10 . 1 1 69 69 ILE H H 69 8.393 8.393 7.888 0.505 18412 4223 1 10 . 1 1 70 70 SER N N 70 115.058 115.058 115.941 -0.883 18412 4224 1 10 . 1 1 70 70 SER HA H 70 4.419 4.419 4.414 0.005 18412 4225 1 10 . 1 1 70 70 SER CA C 70 58.502 58.502 57.067 1.435 18412 4226 1 10 . 1 1 70 70 SER CB C 70 63.029 63.029 64.446 -1.417 18412 4227 1 10 . 1 1 70 70 SER H H 70 7.857 7.857 7.710 0.147 18412 4228 1 10 . 1 1 71 71 ARG N N 71 115.621 115.621 124.457 -8.836 18412 4229 1 10 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.305 -0.403 18412 4230 1 10 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.511 0.941 18412 4231 1 10 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.718 -1.368 18412 4232 1 10 . 1 1 71 71 ARG H H 71 7.753 7.753 8.457 -0.704 18412 4233 1 10 . 1 1 72 72 ARG N N 72 115.226 115.226 120.628 -5.402 18412 4234 1 10 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.834 0.240 18412 4235 1 10 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.922 -4.309 18412 4236 1 10 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.508 -1.946 18412 4237 1 10 . 1 1 72 72 ARG H H 72 8.006 8.006 8.286 -0.280 18412 4238 1 10 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.434 -0.097 18412 4239 1 10 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.725 -0.027 18412 4240 1 10 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.983 -0.654 18412 4241 1 10 . 1 1 74 74 ASP N N 74 118.600 118.600 118.134 0.466 18412 4242 1 10 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.432 -0.252 18412 4243 1 10 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.488 -1.498 18412 4244 1 10 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.254 -2.219 18412 4245 1 10 . 1 1 74 74 ASP H H 74 9.152 9.152 8.608 0.544 18412 4246 1 10 . 1 1 75 75 LEU N N 75 120.762 120.762 119.832 0.930 18412 4247 1 10 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.945 -0.038 18412 4248 1 10 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.294 -0.932 18412 4249 1 10 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.277 -2.638 18412 4250 1 10 . 1 1 75 75 LEU H H 75 7.044 7.044 7.427 -0.383 18412 4251 1 10 . 1 1 76 76 LEU N N 76 118.917 118.917 120.550 -1.633 18412 4252 1 10 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.945 0.173 18412 4253 1 10 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.732 0.121 18412 4254 1 10 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.611 0.995 18412 4255 1 10 . 1 1 76 76 LEU H H 76 7.850 7.850 7.542 0.308 18412 4256 1 10 . 1 1 77 77 THR N N 77 114.574 114.574 116.278 -1.704 18412 4257 1 10 . 1 1 77 77 THR HA H 77 3.830 3.830 3.827 0.003 18412 4258 1 10 . 1 1 77 77 THR CA C 77 66.882 66.882 67.061 -0.179 18412 4259 1 10 . 1 1 77 77 THR CB C 77 68.991 68.991 68.672 0.319 18412 4260 1 10 . 1 1 77 77 THR H H 77 8.287 8.287 8.448 -0.161 18412 4261 1 10 . 1 1 78 78 MET N N 78 118.873 118.873 118.441 0.432 18412 4262 1 10 . 1 1 78 78 MET HA H 78 4.155 4.155 4.220 -0.065 18412 4263 1 10 . 1 1 78 78 MET CA C 78 59.838 59.838 57.808 2.030 18412 4264 1 10 . 1 1 78 78 MET CB C 78 32.697 32.697 31.292 1.405 18412 4265 1 10 . 1 1 78 78 MET H H 78 7.032 7.032 7.742 -0.710 18412 4266 1 10 . 1 1 79 79 VAL N N 79 120.046 120.046 119.773 0.273 18412 4267 1 10 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.778 -0.057 18412 4268 1 10 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.631 0.350 18412 4269 1 10 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.459 0.573 18412 4270 1 10 . 1 1 79 79 VAL H H 79 7.633 7.633 7.537 0.096 18412 4271 1 10 . 1 1 80 80 VAL N N 80 121.510 121.510 121.241 0.269 18412 4272 1 10 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.639 -0.098 18412 4273 1 10 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.624 -0.519 18412 4274 1 10 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.377 0.470 18412 4275 1 10 . 1 1 80 80 VAL H H 80 8.601 8.601 8.750 -0.149 18412 4276 1 10 . 1 1 81 81 ASP N N 81 121.760 121.760 119.960 1.800 18412 4277 1 10 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.306 0.047 18412 4278 1 10 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.664 0.012 18412 4279 1 10 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.669 -0.098 18412 4280 1 10 . 1 1 81 81 ASP H H 81 8.677 8.677 8.606 0.071 18412 4281 1 10 . 1 1 82 82 TYR N N 82 121.025 121.025 121.233 -0.208 18412 4282 1 10 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.124 0.063 18412 4283 1 10 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.426 0.077 18412 4284 1 10 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.495 0.129 18412 4285 1 10 . 1 1 82 82 TYR H H 82 7.608 7.608 7.977 -0.369 18412 4286 1 10 . 1 1 83 83 ARG N N 83 119.379 119.379 118.650 0.729 18412 4287 1 10 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.710 -0.039 18412 4288 1 10 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.172 0.705 18412 4289 1 10 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.594 0.784 18412 4290 1 10 . 1 1 83 83 ARG H H 83 8.596 8.596 8.230 0.366 18412 4291 1 10 . 1 1 84 84 THR N N 84 113.330 113.330 116.053 -2.723 18412 4292 1 10 . 1 1 84 84 THR HA H 84 3.946 3.946 4.022 -0.076 18412 4293 1 10 . 1 1 84 84 THR CA C 84 65.316 65.316 66.743 -1.427 18412 4294 1 10 . 1 1 84 84 THR CB C 84 69.273 69.273 68.740 0.533 18412 4295 1 10 . 1 1 84 84 THR H H 84 8.305 8.305 7.849 0.456 18412 4296 1 10 . 1 1 85 85 ARG N N 85 121.457 121.457 122.392 -0.935 18412 4297 1 10 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.040 0.017 18412 4298 1 10 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.329 -0.424 18412 4299 1 10 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.553 1.252 18412 4300 1 10 . 1 1 85 85 ARG H H 85 7.949 7.949 8.223 -0.274 18412 4301 1 10 . 1 1 86 86 VAL N N 86 117.232 117.232 120.158 -2.926 18412 4302 1 10 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.786 0.011 18412 4303 1 10 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.554 -1.290 18412 4304 1 10 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.910 0.798 18412 4305 1 10 . 1 1 86 86 VAL H H 86 7.962 7.962 7.881 0.081 18412 4306 1 10 . 1 1 87 87 LEU N N 87 120.870 120.870 121.841 -0.971 18412 4307 1 10 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.995 0.163 18412 4308 1 10 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.111 -2.055 18412 4309 1 10 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.224 0.509 18412 4310 1 10 . 1 1 87 87 LEU H H 87 7.463 7.463 7.295 0.168 18412 4311 1 10 . 1 1 88 88 LYS N N 88 118.925 118.925 119.339 -0.414 18412 4312 1 10 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.115 0.053 18412 4313 1 10 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.147 -1.458 18412 4314 1 10 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.857 -0.735 18412 4315 1 10 . 1 1 88 88 LYS H H 88 7.602 7.602 7.820 -0.218 18412 4316 1 10 . 1 1 89 89 ILE N N 89 120.845 120.845 119.020 1.825 18412 4317 1 10 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.867 0.182 18412 4318 1 10 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.883 -1.016 18412 4319 1 10 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.608 0.052 18412 4320 1 10 . 1 1 89 89 ILE H H 89 7.882 7.882 7.830 0.052 18412 4321 1 11 . 1 1 2 2 ALA N N 2 124.384 124.384 124.279 0.105 18412 4322 1 11 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.186 0.013 18412 4323 1 11 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.098 -0.446 18412 4324 1 11 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.871 0.514 18412 4325 1 11 . 1 1 2 2 ALA H H 2 8.326 8.326 8.453 -0.127 18412 4326 1 11 . 1 1 3 3 GLU N N 3 118.800 118.800 118.500 0.300 18412 4327 1 11 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.055 0.143 18412 4328 1 11 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.715 -0.311 18412 4329 1 11 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.322 0.234 18412 4330 1 11 . 1 1 3 3 GLU H H 3 8.411 8.411 9.122 -0.711 18412 4331 1 11 . 1 1 4 4 TYR N N 4 123.838 123.838 120.651 3.187 18412 4332 1 11 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.508 0.496 18412 4333 1 11 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.250 0.382 18412 4334 1 11 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.753 0.649 18412 4335 1 11 . 1 1 4 4 TYR H H 4 8.448 8.448 8.416 0.032 18412 4336 1 11 . 1 1 5 5 GLY N N 5 105.816 105.816 106.350 -0.534 18412 4337 1 11 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.563 -0.421 18412 4338 1 11 . 1 1 5 5 GLY H H 5 8.250 8.250 8.406 -0.156 18412 4339 1 11 . 1 1 6 6 THR N N 6 119.523 119.523 119.066 0.457 18412 4340 1 11 . 1 1 6 6 THR HA H 6 3.802 3.802 4.144 -0.342 18412 4341 1 11 . 1 1 6 6 THR CA C 6 66.449 66.449 66.434 0.015 18412 4342 1 11 . 1 1 6 6 THR CB C 6 68.391 68.391 68.742 -0.351 18412 4343 1 11 . 1 1 6 6 THR H H 6 7.868 7.868 8.114 -0.246 18412 4344 1 11 . 1 1 7 7 LEU N N 7 123.502 123.502 123.113 0.389 18412 4345 1 11 . 1 1 7 7 LEU HA H 7 4.239 4.239 4.008 0.231 18412 4346 1 11 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.935 0.290 18412 4347 1 11 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.100 -1.347 18412 4348 1 11 . 1 1 7 7 LEU H H 7 7.594 7.594 8.220 -0.626 18412 4349 1 11 . 1 1 8 8 LEU N N 8 115.222 115.222 117.792 -2.570 18412 4350 1 11 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.367 -0.094 18412 4351 1 11 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.200 -0.066 18412 4352 1 11 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.918 0.218 18412 4353 1 11 . 1 1 8 8 LEU H H 8 7.654 7.654 7.855 -0.201 18412 4354 1 11 . 1 1 9 9 GLN N N 9 120.743 120.743 118.908 1.835 18412 4355 1 11 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.964 -0.085 18412 4356 1 11 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.187 -0.411 18412 4357 1 11 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.042 0.886 18412 4358 1 11 . 1 1 9 9 GLN H H 9 7.688 7.688 7.508 0.180 18412 4359 1 11 . 1 1 10 10 ASP N N 10 122.554 122.554 120.862 1.692 18412 4360 1 11 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.350 -0.017 18412 4361 1 11 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.360 0.317 18412 4362 1 11 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.293 -0.356 18412 4363 1 11 . 1 1 10 10 ASP H H 10 8.656 8.656 8.135 0.521 18412 4364 1 11 . 1 1 11 11 LEU N N 11 119.408 119.408 117.555 1.853 18412 4365 1 11 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.232 -0.346 18412 4366 1 11 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.032 0.453 18412 4367 1 11 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.197 2.056 18412 4368 1 11 . 1 1 11 11 LEU H H 11 8.805 8.805 7.818 0.987 18412 4369 1 11 . 1 1 12 12 THR N N 12 113.945 113.945 116.979 -3.034 18412 4370 1 11 . 1 1 12 12 THR HA H 12 3.875 3.875 4.052 -0.177 18412 4371 1 11 . 1 1 12 12 THR CA C 12 67.829 67.829 67.622 0.207 18412 4372 1 11 . 1 1 12 12 THR CB C 12 68.521 68.521 68.607 -0.086 18412 4373 1 11 . 1 1 12 12 THR H H 12 8.305 8.305 8.237 0.068 18412 4374 1 11 . 1 1 13 13 ASN N N 13 119.138 119.138 117.641 1.497 18412 4375 1 11 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.561 0.029 18412 4376 1 11 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.708 -1.058 18412 4377 1 11 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.247 0.016 18412 4378 1 11 . 1 1 13 13 ASN H H 13 8.180 8.180 8.515 -0.335 18412 4379 1 11 . 1 1 14 14 ASN N N 14 117.905 117.905 115.383 2.522 18412 4380 1 11 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.723 0.103 18412 4381 1 11 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.132 0.226 18412 4382 1 11 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.340 2.118 18412 4383 1 11 . 1 1 14 14 ASN H H 14 7.778 7.778 7.741 0.037 18412 4384 1 11 . 1 1 15 15 ILE N N 15 120.690 120.690 122.459 -1.769 18412 4385 1 11 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.119 0.592 18412 4386 1 11 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.570 0.307 18412 4387 1 11 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.523 4.822 18412 4388 1 11 . 1 1 15 15 ILE H H 15 7.234 7.234 7.425 -0.191 18412 4389 1 11 . 1 1 16 16 THR N N 16 120.066 120.066 118.955 1.111 18412 4390 1 11 . 1 1 16 16 THR HA H 16 4.536 4.536 4.582 -0.046 18412 4391 1 11 . 1 1 16 16 THR CA C 16 60.804 60.804 60.362 0.442 18412 4392 1 11 . 1 1 16 16 THR CB C 16 71.263 71.263 71.144 0.119 18412 4393 1 11 . 1 1 16 16 THR H H 16 9.188 9.188 7.924 1.264 18412 4394 1 11 . 1 1 17 17 LEU N N 17 121.043 121.043 122.463 -1.420 18412 4395 1 11 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.843 0.153 18412 4396 1 11 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.975 -0.282 18412 4397 1 11 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.590 -0.263 18412 4398 1 11 . 1 1 17 17 LEU H H 17 8.662 8.662 8.853 -0.191 18412 4399 1 11 . 1 1 18 18 GLU N N 18 118.968 118.968 118.923 0.045 18412 4400 1 11 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.953 -0.006 18412 4401 1 11 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.552 0.434 18412 4402 1 11 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.191 -0.043 18412 4403 1 11 . 1 1 18 18 GLU H H 18 8.374 8.374 8.576 -0.202 18412 4404 1 11 . 1 1 19 19 ASP N N 19 121.542 121.542 120.698 0.844 18412 4405 1 11 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.322 -0.178 18412 4406 1 11 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.534 -0.943 18412 4407 1 11 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.684 0.628 18412 4408 1 11 . 1 1 19 19 ASP H H 19 7.857 7.857 8.537 -0.680 18412 4409 1 11 . 1 1 20 20 LEU N N 20 120.904 120.904 120.957 -0.053 18412 4410 1 11 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.823 -0.406 18412 4411 1 11 . 1 1 20 20 LEU CA C 20 56.914 56.914 57.911 -0.997 18412 4412 1 11 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.576 -0.474 18412 4413 1 11 . 1 1 20 20 LEU H H 20 8.412 8.412 8.401 0.011 18412 4414 1 11 . 1 1 21 21 GLU N N 21 117.187 117.187 118.048 -0.861 18412 4415 1 11 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.788 0.010 18412 4416 1 11 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.536 -0.265 18412 4417 1 11 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.795 0.122 18412 4418 1 11 . 1 1 21 21 GLU H H 21 7.462 7.462 8.251 -0.789 18412 4419 1 11 . 1 1 22 22 GLN N N 22 118.617 118.617 120.131 -1.514 18412 4420 1 11 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.113 -0.094 18412 4421 1 11 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.255 0.332 18412 4422 1 11 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.257 -0.022 18412 4423 1 11 . 1 1 22 22 GLN H H 22 7.135 7.135 7.742 -0.607 18412 4424 1 11 . 1 1 23 23 LEU N N 23 121.325 121.325 120.346 0.979 18412 4425 1 11 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.789 -0.084 18412 4426 1 11 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.712 0.073 18412 4427 1 11 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.175 -1.554 18412 4428 1 11 . 1 1 23 23 LEU H H 23 7.833 7.833 7.953 -0.120 18412 4429 1 11 . 1 1 24 24 LYS N N 24 116.045 116.045 119.414 -3.369 18412 4430 1 11 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.603 0.047 18412 4431 1 11 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.494 1.051 18412 4432 1 11 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.871 -0.059 18412 4433 1 11 . 1 1 24 24 LYS H H 24 8.307 8.307 8.385 -0.078 18412 4434 1 11 . 1 1 25 25 SER N N 25 116.071 116.071 115.296 0.775 18412 4435 1 11 . 1 1 25 25 SER HA H 25 4.111 4.111 4.135 -0.024 18412 4436 1 11 . 1 1 25 25 SER CA C 25 61.557 61.557 61.398 0.160 18412 4437 1 11 . 1 1 25 25 SER CB C 25 62.565 62.565 62.604 -0.039 18412 4438 1 11 . 1 1 25 25 SER H H 25 7.781 7.781 7.801 -0.020 18412 4439 1 11 . 1 1 26 26 ALA N N 26 123.448 123.448 124.651 -1.203 18412 4440 1 11 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.010 0.165 18412 4441 1 11 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.756 -0.507 18412 4442 1 11 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.353 0.360 18412 4443 1 11 . 1 1 26 26 ALA H H 26 7.735 7.735 7.951 -0.216 18412 4444 1 11 . 1 1 27 27 CYS N N 27 113.480 113.480 115.292 -1.812 18412 4445 1 11 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.322 0.309 18412 4446 1 11 . 1 1 27 27 CYS CA C 27 59.381 59.381 59.998 -0.617 18412 4447 1 11 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.511 2.123 18412 4448 1 11 . 1 1 27 27 CYS H H 27 7.390 7.390 8.157 -0.767 18412 4449 1 11 . 1 1 28 28 LYS N N 28 118.354 118.354 120.781 -2.427 18412 4450 1 11 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.928 0.017 18412 4451 1 11 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.143 -0.723 18412 4452 1 11 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.509 0.038 18412 4453 1 11 . 1 1 28 28 LYS H H 28 7.634 7.634 7.291 0.343 18412 4454 1 11 . 1 1 29 29 GLU N N 29 118.875 118.875 117.694 1.181 18412 4455 1 11 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.231 -0.074 18412 4456 1 11 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.122 0.118 18412 4457 1 11 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.722 -0.858 18412 4458 1 11 . 1 1 29 29 GLU H H 29 8.552 8.552 8.514 0.038 18412 4459 1 11 . 1 1 30 30 ASP N N 30 117.610 117.610 118.130 -0.520 18412 4460 1 11 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.736 -0.148 18412 4461 1 11 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.516 0.367 18412 4462 1 11 . 1 1 30 30 ASP CB C 30 41.527 41.527 42.019 -0.492 18412 4463 1 11 . 1 1 30 30 ASP H H 30 7.962 7.962 7.646 0.316 18412 4464 1 11 . 1 1 31 31 ILE N N 31 116.930 116.930 122.607 -5.677 18412 4465 1 11 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.646 -0.279 18412 4466 1 11 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.576 0.457 18412 4467 1 11 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.405 -0.636 18412 4468 1 11 . 1 1 31 31 ILE H H 31 7.317 7.317 8.031 -0.714 18412 4469 1 11 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.598 -0.137 18412 4470 1 11 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.695 0.150 18412 4471 1 11 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.468 0.046 18412 4472 1 11 . 1 1 33 33 SER N N 33 119.808 119.808 120.086 -0.278 18412 4473 1 11 . 1 1 33 33 SER HA H 33 4.141 4.141 3.918 0.223 18412 4474 1 11 . 1 1 33 33 SER CA C 33 61.125 61.125 62.364 -1.240 18412 4475 1 11 . 1 1 33 33 SER CB C 33 63.000 63.000 63.035 -0.035 18412 4476 1 11 . 1 1 33 33 SER H H 33 8.778 8.778 8.884 -0.106 18412 4477 1 11 . 1 1 34 34 GLU N N 34 120.906 120.906 119.655 1.251 18412 4478 1 11 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.099 0.106 18412 4479 1 11 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.536 -0.836 18412 4480 1 11 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.193 -0.481 18412 4481 1 11 . 1 1 34 34 GLU H H 34 9.336 9.336 8.679 0.657 18412 4482 1 11 . 1 1 35 35 LYS N N 35 117.698 117.698 117.152 0.546 18412 4483 1 11 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.025 0.322 18412 4484 1 11 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.867 -2.407 18412 4485 1 11 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.490 0.767 18412 4486 1 11 . 1 1 35 35 LYS H H 35 7.659 7.659 7.770 -0.111 18412 4487 1 11 . 1 1 36 36 SER N N 36 114.472 114.472 115.407 -0.935 18412 4488 1 11 . 1 1 36 36 SER HA H 36 3.652 3.652 4.049 -0.397 18412 4489 1 11 . 1 1 36 36 SER CA C 36 61.450 61.450 61.259 0.191 18412 4490 1 11 . 1 1 36 36 SER CB C 36 62.820 62.820 62.879 -0.059 18412 4491 1 11 . 1 1 36 36 SER H H 36 7.732 7.732 8.469 -0.737 18412 4492 1 11 . 1 1 37 37 GLU N N 37 118.258 118.258 120.930 -2.672 18412 4493 1 11 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.042 -0.072 18412 4494 1 11 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.819 -0.706 18412 4495 1 11 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.267 0.277 18412 4496 1 11 . 1 1 37 37 GLU H H 37 8.187 8.187 7.874 0.313 18412 4497 1 11 . 1 1 38 38 GLU N N 38 115.652 115.652 115.865 -0.213 18412 4498 1 11 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.352 -0.156 18412 4499 1 11 . 1 1 38 38 GLU CA C 38 56.494 56.494 55.674 0.820 18412 4500 1 11 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.272 0.830 18412 4501 1 11 . 1 1 38 38 GLU H H 38 7.472 7.472 7.894 -0.422 18412 4502 1 11 . 1 1 39 39 ILE N N 39 121.367 121.367 123.841 -2.474 18412 4503 1 11 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.176 -0.191 18412 4504 1 11 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.037 -0.118 18412 4505 1 11 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.774 1.630 18412 4506 1 11 . 1 1 39 39 ILE H H 39 7.504 7.504 7.329 0.175 18412 4507 1 11 . 1 1 40 40 THR N N 40 115.102 115.102 116.743 -1.641 18412 4508 1 11 . 1 1 40 40 THR HA H 40 4.459 4.459 4.312 0.147 18412 4509 1 11 . 1 1 40 40 THR CA C 40 61.169 61.169 62.310 -1.141 18412 4510 1 11 . 1 1 40 40 THR CB C 40 69.913 69.913 68.809 1.104 18412 4511 1 11 . 1 1 40 40 THR H H 40 8.173 8.173 8.111 0.062 18412 4512 1 11 . 1 1 41 41 THR N N 41 108.664 108.664 113.317 -4.653 18412 4513 1 11 . 1 1 41 41 THR HA H 41 4.602 4.602 4.479 0.123 18412 4514 1 11 . 1 1 41 41 THR CA C 41 59.116 59.116 61.312 -2.196 18412 4515 1 11 . 1 1 41 41 THR CB C 41 73.442 73.442 70.986 2.457 18412 4516 1 11 . 1 1 41 41 THR H H 41 7.104 7.104 7.387 -0.283 18412 4517 1 11 . 1 1 42 42 GLY N N 42 109.200 109.200 111.169 -1.969 18412 4518 1 11 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.231 0.280 18412 4519 1 11 . 1 1 42 42 GLY H H 42 9.196 9.196 8.868 0.328 18412 4520 1 11 . 1 1 43 43 SER N N 43 114.564 114.564 118.095 -3.531 18412 4521 1 11 . 1 1 43 43 SER HA H 43 4.360 4.360 4.322 0.038 18412 4522 1 11 . 1 1 43 43 SER CA C 43 61.523 61.523 61.901 -0.378 18412 4523 1 11 . 1 1 43 43 SER CB C 43 62.448 62.448 63.149 -0.701 18412 4524 1 11 . 1 1 43 43 SER H H 43 8.208 8.208 8.268 -0.060 18412 4525 1 11 . 1 1 44 44 ALA N N 44 123.757 123.757 124.653 -0.896 18412 4526 1 11 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.262 0.019 18412 4527 1 11 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.926 -0.400 18412 4528 1 11 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.030 1.303 18412 4529 1 11 . 1 1 44 44 ALA H H 44 7.964 7.964 8.328 -0.364 18412 4530 1 11 . 1 1 45 45 TRP N N 45 122.904 122.904 120.264 2.640 18412 4531 1 11 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.415 -0.187 18412 4532 1 11 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.507 1.123 18412 4533 1 11 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.277 -1.753 18412 4534 1 11 . 1 1 45 45 TRP H H 45 8.001 8.001 7.758 0.243 18412 4535 1 11 . 1 1 46 46 PHE N N 46 116.699 116.699 118.890 -2.191 18412 4536 1 11 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.593 0.293 18412 4537 1 11 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.068 -0.376 18412 4538 1 11 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.038 -0.192 18412 4539 1 11 . 1 1 46 46 PHE H H 46 8.250 8.250 7.929 0.321 18412 4540 1 11 . 1 1 47 47 SER N N 47 113.740 113.740 116.211 -2.471 18412 4541 1 11 . 1 1 47 47 SER HA H 47 4.419 4.419 4.031 0.388 18412 4542 1 11 . 1 1 47 47 SER CA C 47 61.723 61.723 61.902 -0.179 18412 4543 1 11 . 1 1 47 47 SER CB C 47 62.769 62.769 63.189 -0.420 18412 4544 1 11 . 1 1 47 47 SER H H 47 8.331 8.331 8.954 -0.623 18412 4545 1 11 . 1 1 48 48 PHE N N 48 124.310 124.310 124.140 0.170 18412 4546 1 11 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.209 0.043 18412 4547 1 11 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.915 0.872 18412 4548 1 11 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.871 0.060 18412 4549 1 11 . 1 1 48 48 PHE H H 48 8.175 8.175 8.035 0.140 18412 4550 1 11 . 1 1 49 49 LEU N N 49 120.565 120.565 120.025 0.540 18412 4551 1 11 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.215 0.307 18412 4552 1 11 . 1 1 49 49 LEU CA C 49 58.233 58.233 57.863 0.370 18412 4553 1 11 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.166 0.359 18412 4554 1 11 . 1 1 49 49 LEU H H 49 8.212 8.212 8.438 -0.226 18412 4555 1 11 . 1 1 50 50 GLU N N 50 120.639 120.639 117.813 2.826 18412 4556 1 11 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.169 0.407 18412 4557 1 11 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.718 0.458 18412 4558 1 11 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.248 1.376 18412 4559 1 11 . 1 1 50 50 GLU H H 50 8.702 8.702 8.588 0.114 18412 4560 1 11 . 1 1 51 51 SER N N 51 116.044 116.044 113.217 2.827 18412 4561 1 11 . 1 1 51 51 SER HA H 51 4.178 4.178 4.287 -0.109 18412 4562 1 11 . 1 1 51 51 SER CA C 51 60.575 60.575 60.340 0.235 18412 4563 1 11 . 1 1 51 51 SER CB C 51 62.881 62.881 63.690 -0.809 18412 4564 1 11 . 1 1 51 51 SER H H 51 8.272 8.272 7.623 0.649 18412 4565 1 11 . 1 1 52 52 HIS N N 52 118.134 118.134 118.195 -0.061 18412 4566 1 11 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.576 -0.172 18412 4567 1 11 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.763 2.655 18412 4568 1 11 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.359 -2.939 18412 4569 1 11 . 1 1 52 52 HIS H H 52 7.217 7.217 7.478 -0.261 18412 4570 1 11 . 1 1 53 53 ASN N N 53 113.597 113.597 119.250 -5.653 18412 4571 1 11 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.659 -0.149 18412 4572 1 11 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.643 1.162 18412 4573 1 11 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.483 -0.720 18412 4574 1 11 . 1 1 53 53 ASN H H 53 7.893 7.893 8.793 -0.900 18412 4575 1 11 . 1 1 54 54 LYS N N 54 113.123 113.123 118.616 -5.493 18412 4576 1 11 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.301 -0.066 18412 4577 1 11 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.477 -1.214 18412 4578 1 11 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.296 0.249 18412 4579 1 11 . 1 1 54 54 LYS H H 54 8.082 8.082 7.651 0.431 18412 4580 1 11 . 1 1 55 55 LEU N N 55 120.215 120.215 119.927 0.288 18412 4581 1 11 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.507 0.148 18412 4582 1 11 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.798 0.468 18412 4583 1 11 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.644 2.733 18412 4584 1 11 . 1 1 55 55 LEU H H 55 6.882 6.882 7.242 -0.360 18412 4585 1 11 . 1 1 56 56 ASP N N 56 120.831 120.831 126.876 -6.045 18412 4586 1 11 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.642 -0.250 18412 4587 1 11 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.673 -1.007 18412 4588 1 11 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.471 -0.157 18412 4589 1 11 . 1 1 56 56 ASP H H 56 8.078 8.078 8.481 -0.403 18412 4590 1 11 . 1 1 57 57 LYS N N 57 115.203 115.203 119.030 -3.827 18412 4591 1 11 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.087 -0.722 18412 4592 1 11 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.996 -0.344 18412 4593 1 11 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.158 -0.840 18412 4594 1 11 . 1 1 57 57 LYS H H 57 7.958 7.958 8.601 -0.643 18412 4595 1 11 . 1 1 58 58 ASP N N 58 118.074 118.074 115.866 2.208 18412 4596 1 11 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.367 0.590 18412 4597 1 11 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.697 -0.413 18412 4598 1 11 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.206 1.853 18412 4599 1 11 . 1 1 58 58 ASP H H 58 8.336 8.336 8.135 0.201 18412 4600 1 11 . 1 1 59 59 ASN N N 59 119.835 119.835 119.292 0.543 18412 4601 1 11 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.817 0.143 18412 4602 1 11 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.230 -0.501 18412 4603 1 11 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.949 -0.072 18412 4604 1 11 . 1 1 59 59 ASN H H 59 7.850 7.850 8.259 -0.409 18412 4605 1 11 . 1 1 60 60 LEU N N 60 125.541 125.541 121.041 4.500 18412 4606 1 11 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.128 -0.568 18412 4607 1 11 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.440 -2.192 18412 4608 1 11 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.794 -0.605 18412 4609 1 11 . 1 1 60 60 LEU H H 60 8.995 8.995 8.260 0.735 18412 4610 1 11 . 1 1 61 61 SER N N 61 114.344 114.344 118.008 -3.664 18412 4611 1 11 . 1 1 61 61 SER HA H 61 4.159 4.159 4.126 0.033 18412 4612 1 11 . 1 1 61 61 SER CA C 61 62.002 62.002 61.519 0.483 18412 4613 1 11 . 1 1 61 61 SER CB C 61 62.987 62.987 62.400 0.587 18412 4614 1 11 . 1 1 61 61 SER H H 61 7.880 7.880 8.092 -0.212 18412 4615 1 11 . 1 1 62 62 TYR N N 62 125.087 125.087 123.025 2.062 18412 4616 1 11 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.275 0.024 18412 4617 1 11 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.018 1.187 18412 4618 1 11 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.644 0.281 18412 4619 1 11 . 1 1 62 62 TYR H H 62 8.765 8.765 8.156 0.609 18412 4620 1 11 . 1 1 63 63 ILE N N 63 111.338 111.338 116.178 -4.840 18412 4621 1 11 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.849 -0.207 18412 4622 1 11 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.146 0.972 18412 4623 1 11 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.203 -0.820 18412 4624 1 11 . 1 1 63 63 ILE H H 63 7.631 7.631 7.830 -0.199 18412 4625 1 11 . 1 1 64 64 GLU N N 64 121.049 121.049 121.953 -0.904 18412 4626 1 11 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.144 -0.419 18412 4627 1 11 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.180 0.715 18412 4628 1 11 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.653 0.585 18412 4629 1 11 . 1 1 64 64 GLU H H 64 7.987 7.987 8.555 -0.568 18412 4630 1 11 . 1 1 65 65 HIS N N 65 117.657 117.657 118.973 -1.316 18412 4631 1 11 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.436 0.002 18412 4632 1 11 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.273 -0.251 18412 4633 1 11 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.615 -1.028 18412 4634 1 11 . 1 1 65 65 HIS H H 65 7.513 7.513 7.692 -0.179 18412 4635 1 11 . 1 1 66 66 ILE N N 66 118.281 118.281 119.028 -0.747 18412 4636 1 11 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.429 -0.002 18412 4637 1 11 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.603 -1.865 18412 4638 1 11 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.292 -1.206 18412 4639 1 11 . 1 1 66 66 ILE H H 66 7.924 7.924 7.429 0.495 18412 4640 1 11 . 1 1 67 67 PHE N N 67 121.084 121.084 115.631 5.453 18412 4641 1 11 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.111 0.355 18412 4642 1 11 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.031 -3.349 18412 4643 1 11 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.697 -1.019 18412 4644 1 11 . 1 1 67 67 PHE H H 67 8.737 8.737 8.086 0.651 18412 4645 1 11 . 1 1 68 68 GLU N N 68 120.739 120.739 120.205 0.534 18412 4646 1 11 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.058 0.028 18412 4647 1 11 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.088 1.012 18412 4648 1 11 . 1 1 68 68 GLU CB C 68 29.735 29.735 30.010 -0.275 18412 4649 1 11 . 1 1 68 68 GLU H H 68 8.228 8.228 7.670 0.558 18412 4650 1 11 . 1 1 69 69 ILE N N 69 117.535 117.535 114.081 3.454 18412 4651 1 11 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.916 0.124 18412 4652 1 11 . 1 1 69 69 ILE CA C 69 64.231 64.231 62.941 1.290 18412 4653 1 11 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.985 -0.358 18412 4654 1 11 . 1 1 69 69 ILE H H 69 8.393 8.393 7.770 0.623 18412 4655 1 11 . 1 1 70 70 SER N N 70 115.058 115.058 116.370 -1.312 18412 4656 1 11 . 1 1 70 70 SER HA H 70 4.419 4.419 4.305 0.114 18412 4657 1 11 . 1 1 70 70 SER CA C 70 58.502 58.502 57.961 0.541 18412 4658 1 11 . 1 1 70 70 SER CB C 70 63.029 63.029 64.136 -1.107 18412 4659 1 11 . 1 1 70 70 SER H H 70 7.857 7.857 7.864 -0.007 18412 4660 1 11 . 1 1 71 71 ARG N N 71 115.621 115.621 126.312 -10.691 18412 4661 1 11 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.294 -0.392 18412 4662 1 11 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.859 0.593 18412 4663 1 11 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.682 -1.332 18412 4664 1 11 . 1 1 71 71 ARG H H 71 7.753 7.753 8.702 -0.949 18412 4665 1 11 . 1 1 72 72 ARG N N 72 115.226 115.226 120.956 -5.730 18412 4666 1 11 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.825 0.249 18412 4667 1 11 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.808 -4.195 18412 4668 1 11 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.538 -1.976 18412 4669 1 11 . 1 1 72 72 ARG H H 72 8.006 8.006 8.353 -0.347 18412 4670 1 11 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.440 -0.103 18412 4671 1 11 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.574 0.124 18412 4672 1 11 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.968 -0.639 18412 4673 1 11 . 1 1 74 74 ASP N N 74 118.600 118.600 119.315 -0.715 18412 4674 1 11 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.453 -0.273 18412 4675 1 11 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.216 -1.226 18412 4676 1 11 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.910 -1.875 18412 4677 1 11 . 1 1 74 74 ASP H H 74 9.152 9.152 8.609 0.543 18412 4678 1 11 . 1 1 75 75 LEU N N 75 120.762 120.762 119.772 0.990 18412 4679 1 11 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.920 -0.013 18412 4680 1 11 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.310 -0.949 18412 4681 1 11 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.297 -2.658 18412 4682 1 11 . 1 1 75 75 LEU H H 75 7.044 7.044 7.353 -0.309 18412 4683 1 11 . 1 1 76 76 LEU N N 76 118.917 118.917 120.446 -1.529 18412 4684 1 11 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.009 0.109 18412 4685 1 11 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.853 -0.000 18412 4686 1 11 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.578 1.028 18412 4687 1 11 . 1 1 76 76 LEU H H 76 7.850 7.850 7.559 0.291 18412 4688 1 11 . 1 1 77 77 THR N N 77 114.574 114.574 115.872 -1.298 18412 4689 1 11 . 1 1 77 77 THR HA H 77 3.830 3.830 3.855 -0.025 18412 4690 1 11 . 1 1 77 77 THR CA C 77 66.882 66.882 67.107 -0.225 18412 4691 1 11 . 1 1 77 77 THR CB C 77 68.991 68.991 68.648 0.343 18412 4692 1 11 . 1 1 77 77 THR H H 77 8.287 8.287 7.909 0.378 18412 4693 1 11 . 1 1 78 78 MET N N 78 118.873 118.873 118.312 0.561 18412 4694 1 11 . 1 1 78 78 MET HA H 78 4.155 4.155 4.168 -0.013 18412 4695 1 11 . 1 1 78 78 MET CA C 78 59.838 59.838 57.411 2.427 18412 4696 1 11 . 1 1 78 78 MET CB C 78 32.697 32.697 30.851 1.846 18412 4697 1 11 . 1 1 78 78 MET H H 78 7.032 7.032 7.633 -0.601 18412 4698 1 11 . 1 1 79 79 VAL N N 79 120.046 120.046 119.806 0.240 18412 4699 1 11 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.751 -0.030 18412 4700 1 11 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.577 0.404 18412 4701 1 11 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.439 0.593 18412 4702 1 11 . 1 1 79 79 VAL H H 79 7.633 7.633 7.455 0.178 18412 4703 1 11 . 1 1 80 80 VAL N N 80 121.510 121.510 121.184 0.326 18412 4704 1 11 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.627 -0.086 18412 4705 1 11 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.239 -0.134 18412 4706 1 11 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.458 0.389 18412 4707 1 11 . 1 1 80 80 VAL H H 80 8.601 8.601 8.674 -0.073 18412 4708 1 11 . 1 1 81 81 ASP N N 81 121.760 121.760 120.131 1.629 18412 4709 1 11 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.322 0.031 18412 4710 1 11 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.620 0.056 18412 4711 1 11 . 1 1 81 81 ASP CB C 81 40.571 40.571 41.029 -0.458 18412 4712 1 11 . 1 1 81 81 ASP H H 81 8.677 8.677 8.561 0.116 18412 4713 1 11 . 1 1 82 82 TYR N N 82 121.025 121.025 121.511 -0.486 18412 4714 1 11 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.062 0.125 18412 4715 1 11 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.618 -0.115 18412 4716 1 11 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.520 0.103 18412 4717 1 11 . 1 1 82 82 TYR H H 82 7.608 7.608 8.176 -0.568 18412 4718 1 11 . 1 1 83 83 ARG N N 83 119.379 119.379 118.432 0.947 18412 4719 1 11 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.808 -0.137 18412 4720 1 11 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.161 0.716 18412 4721 1 11 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.642 0.736 18412 4722 1 11 . 1 1 83 83 ARG H H 83 8.596 8.596 8.265 0.331 18412 4723 1 11 . 1 1 84 84 THR N N 84 113.330 113.330 115.987 -2.657 18412 4724 1 11 . 1 1 84 84 THR HA H 84 3.946 3.946 4.084 -0.138 18412 4725 1 11 . 1 1 84 84 THR CA C 84 65.316 65.316 66.469 -1.153 18412 4726 1 11 . 1 1 84 84 THR CB C 84 69.273 69.273 68.580 0.693 18412 4727 1 11 . 1 1 84 84 THR H H 84 8.305 8.305 7.844 0.461 18412 4728 1 11 . 1 1 85 85 ARG N N 85 121.457 121.457 122.041 -0.584 18412 4729 1 11 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.072 -0.015 18412 4730 1 11 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.380 -0.475 18412 4731 1 11 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.449 1.356 18412 4732 1 11 . 1 1 85 85 ARG H H 85 7.949 7.949 8.370 -0.421 18412 4733 1 11 . 1 1 86 86 VAL N N 86 117.232 117.232 120.156 -2.924 18412 4734 1 11 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.822 -0.025 18412 4735 1 11 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.507 -1.243 18412 4736 1 11 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.839 0.868 18412 4737 1 11 . 1 1 86 86 VAL H H 86 7.962 7.962 7.990 -0.028 18412 4738 1 11 . 1 1 87 87 LEU N N 87 120.870 120.870 122.182 -1.312 18412 4739 1 11 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.994 0.164 18412 4740 1 11 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.289 -2.233 18412 4741 1 11 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.184 0.549 18412 4742 1 11 . 1 1 87 87 LEU H H 87 7.463 7.463 7.347 0.116 18412 4743 1 11 . 1 1 88 88 LYS N N 88 118.925 118.925 118.449 0.476 18412 4744 1 11 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.174 -0.006 18412 4745 1 11 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.138 -1.449 18412 4746 1 11 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.748 -0.626 18412 4747 1 11 . 1 1 88 88 LYS H H 88 7.602 7.602 7.917 -0.315 18412 4748 1 11 . 1 1 89 89 ILE N N 89 120.845 120.845 119.290 1.555 18412 4749 1 11 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.888 0.161 18412 4750 1 11 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.853 -0.986 18412 4751 1 11 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.606 0.054 18412 4752 1 11 . 1 1 89 89 ILE H H 89 7.882 7.882 7.945 -0.063 18412 4753 1 12 . 1 1 2 2 ALA N N 2 124.384 124.384 124.615 -0.231 18412 4754 1 12 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.189 0.010 18412 4755 1 12 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.023 -0.371 18412 4756 1 12 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.920 0.465 18412 4757 1 12 . 1 1 2 2 ALA H H 2 8.326 8.326 8.455 -0.129 18412 4758 1 12 . 1 1 3 3 GLU N N 3 118.800 118.800 118.315 0.485 18412 4759 1 12 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.080 0.118 18412 4760 1 12 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.475 -0.071 18412 4761 1 12 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.361 0.195 18412 4762 1 12 . 1 1 3 3 GLU H H 3 8.411 8.411 9.069 -0.658 18412 4763 1 12 . 1 1 4 4 TYR N N 4 123.838 123.838 120.832 3.006 18412 4764 1 12 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.609 0.395 18412 4765 1 12 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.003 0.629 18412 4766 1 12 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.755 0.647 18412 4767 1 12 . 1 1 4 4 TYR H H 4 8.448 8.448 8.383 0.065 18412 4768 1 12 . 1 1 5 5 GLY N N 5 105.816 105.816 106.133 -0.317 18412 4769 1 12 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.444 -0.302 18412 4770 1 12 . 1 1 5 5 GLY H H 5 8.250 8.250 8.502 -0.252 18412 4771 1 12 . 1 1 6 6 THR N N 6 119.523 119.523 119.335 0.188 18412 4772 1 12 . 1 1 6 6 THR HA H 6 3.802 3.802 3.931 -0.129 18412 4773 1 12 . 1 1 6 6 THR CA C 6 66.449 66.449 65.930 0.520 18412 4774 1 12 . 1 1 6 6 THR CB C 6 68.391 68.391 68.813 -0.422 18412 4775 1 12 . 1 1 6 6 THR H H 6 7.868 7.868 7.873 -0.005 18412 4776 1 12 . 1 1 7 7 LEU N N 7 123.502 123.502 123.427 0.075 18412 4777 1 12 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.937 0.302 18412 4778 1 12 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.877 0.348 18412 4779 1 12 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.049 -1.296 18412 4780 1 12 . 1 1 7 7 LEU H H 7 7.594 7.594 8.152 -0.558 18412 4781 1 12 . 1 1 8 8 LEU N N 8 115.222 115.222 117.760 -2.538 18412 4782 1 12 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.355 -0.082 18412 4783 1 12 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.522 -0.388 18412 4784 1 12 . 1 1 8 8 LEU CB C 8 40.136 40.136 40.022 0.114 18412 4785 1 12 . 1 1 8 8 LEU H H 8 7.654 7.654 7.747 -0.093 18412 4786 1 12 . 1 1 9 9 GLN N N 9 120.743 120.743 118.766 1.977 18412 4787 1 12 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.948 -0.069 18412 4788 1 12 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.190 -0.413 18412 4789 1 12 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.087 0.841 18412 4790 1 12 . 1 1 9 9 GLN H H 9 7.688 7.688 7.492 0.196 18412 4791 1 12 . 1 1 10 10 ASP N N 10 122.554 122.554 120.666 1.888 18412 4792 1 12 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.352 -0.019 18412 4793 1 12 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.635 0.042 18412 4794 1 12 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.621 -0.684 18412 4795 1 12 . 1 1 10 10 ASP H H 10 8.656 8.656 8.193 0.463 18412 4796 1 12 . 1 1 11 11 LEU N N 11 119.408 119.408 117.774 1.634 18412 4797 1 12 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.184 -0.298 18412 4798 1 12 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.102 0.383 18412 4799 1 12 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.008 2.245 18412 4800 1 12 . 1 1 11 11 LEU H H 11 8.805 8.805 7.870 0.935 18412 4801 1 12 . 1 1 12 12 THR N N 12 113.945 113.945 115.036 -1.091 18412 4802 1 12 . 1 1 12 12 THR HA H 12 3.875 3.875 4.058 -0.183 18412 4803 1 12 . 1 1 12 12 THR CA C 12 67.829 67.829 65.924 1.905 18412 4804 1 12 . 1 1 12 12 THR CB C 12 68.521 68.521 68.207 0.314 18412 4805 1 12 . 1 1 12 12 THR H H 12 8.305 8.305 8.116 0.189 18412 4806 1 12 . 1 1 13 13 ASN N N 13 119.138 119.138 116.849 2.289 18412 4807 1 12 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.581 0.009 18412 4808 1 12 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.362 -0.712 18412 4809 1 12 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.423 -0.160 18412 4810 1 12 . 1 1 13 13 ASN H H 13 8.180 8.180 8.288 -0.108 18412 4811 1 12 . 1 1 14 14 ASN N N 14 117.905 117.905 116.084 1.821 18412 4812 1 12 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.695 0.131 18412 4813 1 12 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.283 0.075 18412 4814 1 12 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.528 1.930 18412 4815 1 12 . 1 1 14 14 ASN H H 14 7.778 7.778 7.572 0.206 18412 4816 1 12 . 1 1 15 15 ILE N N 15 120.690 120.690 119.904 0.786 18412 4817 1 12 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.130 0.581 18412 4818 1 12 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.403 0.474 18412 4819 1 12 . 1 1 15 15 ILE CB C 15 41.344 41.344 37.178 4.166 18412 4820 1 12 . 1 1 15 15 ILE H H 15 7.234 7.234 7.468 -0.234 18412 4821 1 12 . 1 1 16 16 THR N N 16 120.066 120.066 118.620 1.446 18412 4822 1 12 . 1 1 16 16 THR HA H 16 4.536 4.536 4.540 -0.004 18412 4823 1 12 . 1 1 16 16 THR CA C 16 60.804 60.804 60.103 0.701 18412 4824 1 12 . 1 1 16 16 THR CB C 16 71.263 71.263 71.744 -0.481 18412 4825 1 12 . 1 1 16 16 THR H H 16 9.188 9.188 7.620 1.568 18412 4826 1 12 . 1 1 17 17 LEU N N 17 121.043 121.043 124.448 -3.405 18412 4827 1 12 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.905 0.091 18412 4828 1 12 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.840 -0.147 18412 4829 1 12 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.792 -0.465 18412 4830 1 12 . 1 1 17 17 LEU H H 17 8.662 8.662 8.998 -0.336 18412 4831 1 12 . 1 1 18 18 GLU N N 18 118.968 118.968 118.236 0.732 18412 4832 1 12 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.952 -0.005 18412 4833 1 12 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.730 0.256 18412 4834 1 12 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.131 0.017 18412 4835 1 12 . 1 1 18 18 GLU H H 18 8.374 8.374 8.580 -0.206 18412 4836 1 12 . 1 1 19 19 ASP N N 19 121.542 121.542 121.139 0.403 18412 4837 1 12 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.348 -0.205 18412 4838 1 12 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.242 -0.651 18412 4839 1 12 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.388 0.924 18412 4840 1 12 . 1 1 19 19 ASP H H 19 7.857 7.857 8.514 -0.657 18412 4841 1 12 . 1 1 20 20 LEU N N 20 120.904 120.904 120.987 -0.083 18412 4842 1 12 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.812 -0.395 18412 4843 1 12 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.220 -1.306 18412 4844 1 12 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.739 -0.637 18412 4845 1 12 . 1 1 20 20 LEU H H 20 8.412 8.412 8.245 0.167 18412 4846 1 12 . 1 1 21 21 GLU N N 21 117.187 117.187 118.628 -1.441 18412 4847 1 12 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.739 0.059 18412 4848 1 12 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.601 -0.330 18412 4849 1 12 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.129 -0.212 18412 4850 1 12 . 1 1 21 21 GLU H H 21 7.462 7.462 8.009 -0.547 18412 4851 1 12 . 1 1 22 22 GLN N N 22 118.617 118.617 120.357 -1.740 18412 4852 1 12 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.051 -0.032 18412 4853 1 12 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.795 -0.208 18412 4854 1 12 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.617 -0.382 18412 4855 1 12 . 1 1 22 22 GLN H H 22 7.135 7.135 7.969 -0.834 18412 4856 1 12 . 1 1 23 23 LEU N N 23 121.325 121.325 120.529 0.796 18412 4857 1 12 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.890 -0.185 18412 4858 1 12 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.476 0.309 18412 4859 1 12 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.362 -1.742 18412 4860 1 12 . 1 1 23 23 LEU H H 23 7.833 7.833 7.819 0.014 18412 4861 1 12 . 1 1 24 24 LYS N N 24 116.045 116.045 118.811 -2.766 18412 4862 1 12 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.556 0.094 18412 4863 1 12 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.609 0.936 18412 4864 1 12 . 1 1 24 24 LYS CB C 24 31.812 31.812 32.000 -0.188 18412 4865 1 12 . 1 1 24 24 LYS H H 24 8.307 8.307 8.290 0.017 18412 4866 1 12 . 1 1 25 25 SER N N 25 116.071 116.071 115.317 0.754 18412 4867 1 12 . 1 1 25 25 SER HA H 25 4.111 4.111 4.081 0.030 18412 4868 1 12 . 1 1 25 25 SER CA C 25 61.557 61.557 61.792 -0.235 18412 4869 1 12 . 1 1 25 25 SER CB C 25 62.565 62.565 62.830 -0.265 18412 4870 1 12 . 1 1 25 25 SER H H 25 7.781 7.781 7.805 -0.024 18412 4871 1 12 . 1 1 26 26 ALA N N 26 123.448 123.448 124.616 -1.168 18412 4872 1 12 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.009 0.166 18412 4873 1 12 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.776 -0.527 18412 4874 1 12 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.331 0.382 18412 4875 1 12 . 1 1 26 26 ALA H H 26 7.735 7.735 8.001 -0.266 18412 4876 1 12 . 1 1 27 27 CYS N N 27 113.480 113.480 115.122 -1.642 18412 4877 1 12 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.367 0.264 18412 4878 1 12 . 1 1 27 27 CYS CA C 27 59.381 59.381 59.789 -0.408 18412 4879 1 12 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.356 2.278 18412 4880 1 12 . 1 1 27 27 CYS H H 27 7.390 7.390 8.182 -0.792 18412 4881 1 12 . 1 1 28 28 LYS N N 28 118.354 118.354 121.079 -2.725 18412 4882 1 12 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.990 -0.045 18412 4883 1 12 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.298 -0.879 18412 4884 1 12 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.561 -0.014 18412 4885 1 12 . 1 1 28 28 LYS H H 28 7.634 7.634 7.356 0.278 18412 4886 1 12 . 1 1 29 29 GLU N N 29 118.875 118.875 118.158 0.717 18412 4887 1 12 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.199 -0.042 18412 4888 1 12 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.329 -0.089 18412 4889 1 12 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.621 -0.757 18412 4890 1 12 . 1 1 29 29 GLU H H 29 8.552 8.552 8.472 0.080 18412 4891 1 12 . 1 1 30 30 ASP N N 30 117.610 117.610 118.113 -0.503 18412 4892 1 12 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.721 -0.133 18412 4893 1 12 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.627 0.256 18412 4894 1 12 . 1 1 30 30 ASP CB C 30 41.527 41.527 42.047 -0.520 18412 4895 1 12 . 1 1 30 30 ASP H H 30 7.962 7.962 7.611 0.351 18412 4896 1 12 . 1 1 31 31 ILE N N 31 116.930 116.930 122.231 -5.301 18412 4897 1 12 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.732 -0.365 18412 4898 1 12 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.330 0.703 18412 4899 1 12 . 1 1 31 31 ILE CB C 31 38.769 38.769 40.239 -1.470 18412 4900 1 12 . 1 1 31 31 ILE H H 31 7.317 7.317 8.407 -1.090 18412 4901 1 12 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.654 -0.193 18412 4902 1 12 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.724 0.121 18412 4903 1 12 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.632 -0.118 18412 4904 1 12 . 1 1 33 33 SER N N 33 119.808 119.808 118.962 0.846 18412 4905 1 12 . 1 1 33 33 SER HA H 33 4.141 4.141 3.876 0.265 18412 4906 1 12 . 1 1 33 33 SER CA C 33 61.125 61.125 62.489 -1.363 18412 4907 1 12 . 1 1 33 33 SER CB C 33 63.000 63.000 63.224 -0.224 18412 4908 1 12 . 1 1 33 33 SER H H 33 8.778 8.778 8.922 -0.144 18412 4909 1 12 . 1 1 34 34 GLU N N 34 120.906 120.906 120.087 0.819 18412 4910 1 12 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.087 0.118 18412 4911 1 12 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.346 -0.646 18412 4912 1 12 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.178 -0.466 18412 4913 1 12 . 1 1 34 34 GLU H H 34 9.336 9.336 8.735 0.601 18412 4914 1 12 . 1 1 35 35 LYS N N 35 117.698 117.698 116.847 0.851 18412 4915 1 12 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.012 0.335 18412 4916 1 12 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.522 -2.062 18412 4917 1 12 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.655 0.602 18412 4918 1 12 . 1 1 35 35 LYS H H 35 7.659 7.659 7.766 -0.107 18412 4919 1 12 . 1 1 36 36 SER N N 36 114.472 114.472 115.724 -1.252 18412 4920 1 12 . 1 1 36 36 SER HA H 36 3.652 3.652 3.971 -0.319 18412 4921 1 12 . 1 1 36 36 SER CA C 36 61.450 61.450 61.258 0.192 18412 4922 1 12 . 1 1 36 36 SER CB C 36 62.820 62.820 62.830 -0.010 18412 4923 1 12 . 1 1 36 36 SER H H 36 7.732 7.732 8.462 -0.730 18412 4924 1 12 . 1 1 37 37 GLU N N 37 118.258 118.258 120.111 -1.853 18412 4925 1 12 . 1 1 37 37 GLU HA H 37 3.970 3.970 3.944 0.026 18412 4926 1 12 . 1 1 37 37 GLU CA C 37 58.113 58.113 59.105 -0.992 18412 4927 1 12 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.486 0.058 18412 4928 1 12 . 1 1 37 37 GLU H H 37 8.187 8.187 7.685 0.502 18412 4929 1 12 . 1 1 38 38 GLU N N 38 115.652 115.652 115.485 0.167 18412 4930 1 12 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.194 0.002 18412 4931 1 12 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.697 -0.203 18412 4932 1 12 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.419 0.683 18412 4933 1 12 . 1 1 38 38 GLU H H 38 7.472 7.472 7.746 -0.274 18412 4934 1 12 . 1 1 39 39 ILE N N 39 121.367 121.367 122.968 -1.601 18412 4935 1 12 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.116 -0.131 18412 4936 1 12 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.185 -0.266 18412 4937 1 12 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.867 1.537 18412 4938 1 12 . 1 1 39 39 ILE H H 39 7.504 7.504 7.187 0.317 18412 4939 1 12 . 1 1 40 40 THR N N 40 115.102 115.102 117.233 -2.131 18412 4940 1 12 . 1 1 40 40 THR HA H 40 4.459 4.459 4.316 0.143 18412 4941 1 12 . 1 1 40 40 THR CA C 40 61.169 61.169 62.437 -1.268 18412 4942 1 12 . 1 1 40 40 THR CB C 40 69.913 69.913 68.931 0.982 18412 4943 1 12 . 1 1 40 40 THR H H 40 8.173 8.173 8.078 0.095 18412 4944 1 12 . 1 1 41 41 THR N N 41 108.664 108.664 113.837 -5.173 18412 4945 1 12 . 1 1 41 41 THR HA H 41 4.602 4.602 4.545 0.057 18412 4946 1 12 . 1 1 41 41 THR CA C 41 59.116 59.116 60.825 -1.710 18412 4947 1 12 . 1 1 41 41 THR CB C 41 73.442 73.442 70.807 2.635 18412 4948 1 12 . 1 1 41 41 THR H H 41 7.104 7.104 7.356 -0.252 18412 4949 1 12 . 1 1 42 42 GLY N N 42 109.200 109.200 112.466 -3.266 18412 4950 1 12 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.317 0.194 18412 4951 1 12 . 1 1 42 42 GLY H H 42 9.196 9.196 9.021 0.175 18412 4952 1 12 . 1 1 43 43 SER N N 43 114.564 114.564 117.828 -3.264 18412 4953 1 12 . 1 1 43 43 SER HA H 43 4.360 4.360 4.358 0.002 18412 4954 1 12 . 1 1 43 43 SER CA C 43 61.523 61.523 61.580 -0.057 18412 4955 1 12 . 1 1 43 43 SER CB C 43 62.448 62.448 63.118 -0.670 18412 4956 1 12 . 1 1 43 43 SER H H 43 8.208 8.208 8.375 -0.167 18412 4957 1 12 . 1 1 44 44 ALA N N 44 123.757 123.757 124.194 -0.437 18412 4958 1 12 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.179 0.102 18412 4959 1 12 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.764 -0.237 18412 4960 1 12 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.326 1.007 18412 4961 1 12 . 1 1 44 44 ALA H H 44 7.964 7.964 7.953 0.011 18412 4962 1 12 . 1 1 45 45 TRP N N 45 122.904 122.904 120.559 2.345 18412 4963 1 12 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.407 -0.179 18412 4964 1 12 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.356 1.274 18412 4965 1 12 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.216 -1.692 18412 4966 1 12 . 1 1 45 45 TRP H H 45 8.001 8.001 7.714 0.287 18412 4967 1 12 . 1 1 46 46 PHE N N 46 116.699 116.699 118.161 -1.462 18412 4968 1 12 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.587 0.299 18412 4969 1 12 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.067 -0.375 18412 4970 1 12 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.022 -0.177 18412 4971 1 12 . 1 1 46 46 PHE H H 46 8.250 8.250 8.030 0.220 18412 4972 1 12 . 1 1 47 47 SER N N 47 113.740 113.740 115.676 -1.936 18412 4973 1 12 . 1 1 47 47 SER HA H 47 4.419 4.419 4.439 -0.020 18412 4974 1 12 . 1 1 47 47 SER CA C 47 61.723 61.723 61.556 0.167 18412 4975 1 12 . 1 1 47 47 SER CB C 47 62.769 62.769 62.692 0.077 18412 4976 1 12 . 1 1 47 47 SER H H 47 8.331 8.331 8.768 -0.437 18412 4977 1 12 . 1 1 48 48 PHE N N 48 124.310 124.310 124.320 -0.010 18412 4978 1 12 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.185 0.067 18412 4979 1 12 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.905 0.882 18412 4980 1 12 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.716 0.215 18412 4981 1 12 . 1 1 48 48 PHE H H 48 8.175 8.175 7.935 0.240 18412 4982 1 12 . 1 1 49 49 LEU N N 49 120.565 120.565 120.304 0.261 18412 4983 1 12 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.206 0.316 18412 4984 1 12 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.008 0.225 18412 4985 1 12 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.257 0.268 18412 4986 1 12 . 1 1 49 49 LEU H H 49 8.212 8.212 8.465 -0.253 18412 4987 1 12 . 1 1 50 50 GLU N N 50 120.639 120.639 117.663 2.976 18412 4988 1 12 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.182 0.394 18412 4989 1 12 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.820 0.356 18412 4990 1 12 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.476 1.148 18412 4991 1 12 . 1 1 50 50 GLU H H 50 8.702 8.702 8.462 0.240 18412 4992 1 12 . 1 1 51 51 SER N N 51 116.044 116.044 112.963 3.081 18412 4993 1 12 . 1 1 51 51 SER HA H 51 4.178 4.178 4.275 -0.097 18412 4994 1 12 . 1 1 51 51 SER CA C 51 60.575 60.575 60.472 0.103 18412 4995 1 12 . 1 1 51 51 SER CB C 51 62.881 62.881 63.593 -0.712 18412 4996 1 12 . 1 1 51 51 SER H H 51 8.272 8.272 7.600 0.672 18412 4997 1 12 . 1 1 52 52 HIS N N 52 118.134 118.134 118.266 -0.132 18412 4998 1 12 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.581 -0.177 18412 4999 1 12 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.815 2.603 18412 5000 1 12 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.147 -2.727 18412 5001 1 12 . 1 1 52 52 HIS H H 52 7.217 7.217 7.380 -0.163 18412 5002 1 12 . 1 1 53 53 ASN N N 53 113.597 113.597 118.859 -5.262 18412 5003 1 12 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.675 -0.165 18412 5004 1 12 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.612 1.192 18412 5005 1 12 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.511 -0.748 18412 5006 1 12 . 1 1 53 53 ASN H H 53 7.893 7.893 8.771 -0.878 18412 5007 1 12 . 1 1 54 54 LYS N N 54 113.123 113.123 118.081 -4.958 18412 5008 1 12 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.371 -0.136 18412 5009 1 12 . 1 1 54 54 LYS CA C 54 54.263 54.263 54.732 -0.469 18412 5010 1 12 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.264 0.281 18412 5011 1 12 . 1 1 54 54 LYS H H 54 8.082 8.082 7.537 0.545 18412 5012 1 12 . 1 1 55 55 LEU N N 55 120.215 120.215 120.321 -0.106 18412 5013 1 12 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.476 0.179 18412 5014 1 12 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.866 0.401 18412 5015 1 12 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.981 2.396 18412 5016 1 12 . 1 1 55 55 LEU H H 55 6.882 6.882 7.338 -0.456 18412 5017 1 12 . 1 1 56 56 ASP N N 56 120.831 120.831 127.758 -6.927 18412 5018 1 12 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.659 -0.267 18412 5019 1 12 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.903 -1.237 18412 5020 1 12 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.910 -0.595 18412 5021 1 12 . 1 1 56 56 ASP H H 56 8.078 8.078 8.558 -0.480 18412 5022 1 12 . 1 1 57 57 LYS N N 57 115.203 115.203 120.303 -5.100 18412 5023 1 12 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.269 -0.904 18412 5024 1 12 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.455 0.197 18412 5025 1 12 . 1 1 57 57 LYS CB C 57 31.318 31.318 31.849 -0.530 18412 5026 1 12 . 1 1 57 57 LYS H H 57 7.958 7.958 8.646 -0.688 18412 5027 1 12 . 1 1 58 58 ASP N N 58 118.074 118.074 115.055 3.019 18412 5028 1 12 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.320 0.637 18412 5029 1 12 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.753 -0.470 18412 5030 1 12 . 1 1 58 58 ASP CB C 58 43.059 43.059 42.026 1.033 18412 5031 1 12 . 1 1 58 58 ASP H H 58 8.336 8.336 7.965 0.371 18412 5032 1 12 . 1 1 59 59 ASN N N 59 119.835 119.835 118.046 1.789 18412 5033 1 12 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.569 0.391 18412 5034 1 12 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.385 -0.656 18412 5035 1 12 . 1 1 59 59 ASN CB C 59 38.877 38.877 39.186 -0.309 18412 5036 1 12 . 1 1 59 59 ASN H H 59 7.850 7.850 7.869 -0.019 18412 5037 1 12 . 1 1 60 60 LEU N N 60 125.541 125.541 120.190 5.351 18412 5038 1 12 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.208 -0.648 18412 5039 1 12 . 1 1 60 60 LEU CA C 60 54.248 54.248 55.955 -1.707 18412 5040 1 12 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.432 -0.242 18412 5041 1 12 . 1 1 60 60 LEU H H 60 8.995 8.995 8.605 0.390 18412 5042 1 12 . 1 1 61 61 SER N N 61 114.344 114.344 118.527 -4.183 18412 5043 1 12 . 1 1 61 61 SER HA H 61 4.159 4.159 4.223 -0.064 18412 5044 1 12 . 1 1 61 61 SER CA C 61 62.002 62.002 62.607 -0.605 18412 5045 1 12 . 1 1 61 61 SER CB C 61 62.987 62.987 62.590 0.397 18412 5046 1 12 . 1 1 61 61 SER H H 61 7.880 7.880 8.328 -0.448 18412 5047 1 12 . 1 1 62 62 TYR N N 62 125.087 125.087 121.897 3.190 18412 5048 1 12 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.245 0.054 18412 5049 1 12 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.948 0.257 18412 5050 1 12 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.728 0.197 18412 5051 1 12 . 1 1 62 62 TYR H H 62 8.765 8.765 7.744 1.021 18412 5052 1 12 . 1 1 63 63 ILE N N 63 111.338 111.338 115.928 -4.590 18412 5053 1 12 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.814 -0.172 18412 5054 1 12 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.079 1.039 18412 5055 1 12 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.166 -0.783 18412 5056 1 12 . 1 1 63 63 ILE H H 63 7.631 7.631 7.455 0.176 18412 5057 1 12 . 1 1 64 64 GLU N N 64 121.049 121.049 121.941 -0.892 18412 5058 1 12 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.111 -0.386 18412 5059 1 12 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.189 0.706 18412 5060 1 12 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.604 0.634 18412 5061 1 12 . 1 1 64 64 GLU H H 64 7.987 7.987 8.601 -0.614 18412 5062 1 12 . 1 1 65 65 HIS N N 65 117.657 117.657 119.073 -1.416 18412 5063 1 12 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.286 0.152 18412 5064 1 12 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.581 -0.559 18412 5065 1 12 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.594 -1.007 18412 5066 1 12 . 1 1 65 65 HIS H H 65 7.513 7.513 7.717 -0.204 18412 5067 1 12 . 1 1 66 66 ILE N N 66 118.281 118.281 119.015 -0.734 18412 5068 1 12 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.465 -0.038 18412 5069 1 12 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.451 -1.713 18412 5070 1 12 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.186 -1.100 18412 5071 1 12 . 1 1 66 66 ILE H H 66 7.924 7.924 7.405 0.519 18412 5072 1 12 . 1 1 67 67 PHE N N 67 121.084 121.084 117.007 4.077 18412 5073 1 12 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.159 0.307 18412 5074 1 12 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.111 -3.429 18412 5075 1 12 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.535 -0.857 18412 5076 1 12 . 1 1 67 67 PHE H H 67 8.737 8.737 8.017 0.720 18412 5077 1 12 . 1 1 68 68 GLU N N 68 120.739 120.739 119.671 1.068 18412 5078 1 12 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.046 0.040 18412 5079 1 12 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.906 1.194 18412 5080 1 12 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.458 0.277 18412 5081 1 12 . 1 1 68 68 GLU H H 68 8.228 8.228 7.417 0.811 18412 5082 1 12 . 1 1 69 69 ILE N N 69 117.535 117.535 114.398 3.137 18412 5083 1 12 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.812 0.228 18412 5084 1 12 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.273 0.958 18412 5085 1 12 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.848 -0.221 18412 5086 1 12 . 1 1 69 69 ILE H H 69 8.393 8.393 7.887 0.506 18412 5087 1 12 . 1 1 70 70 SER N N 70 115.058 115.058 116.349 -1.291 18412 5088 1 12 . 1 1 70 70 SER HA H 70 4.419 4.419 4.390 0.029 18412 5089 1 12 . 1 1 70 70 SER CA C 70 58.502 58.502 57.951 0.551 18412 5090 1 12 . 1 1 70 70 SER CB C 70 63.029 63.029 64.368 -1.339 18412 5091 1 12 . 1 1 70 70 SER H H 70 7.857 7.857 7.808 0.049 18412 5092 1 12 . 1 1 71 71 ARG N N 71 115.621 115.621 124.129 -8.508 18412 5093 1 12 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.243 -0.341 18412 5094 1 12 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.276 0.175 18412 5095 1 12 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.712 -1.362 18412 5096 1 12 . 1 1 71 71 ARG H H 71 7.753 7.753 8.672 -0.919 18412 5097 1 12 . 1 1 72 72 ARG N N 72 115.226 115.226 119.041 -3.815 18412 5098 1 12 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.941 0.133 18412 5099 1 12 . 1 1 72 72 ARG CA C 72 49.613 49.613 54.143 -4.530 18412 5100 1 12 . 1 1 72 72 ARG CB C 72 28.562 28.562 31.095 -2.533 18412 5101 1 12 . 1 1 72 72 ARG H H 72 8.006 8.006 8.440 -0.434 18412 5102 1 12 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.540 -0.203 18412 5103 1 12 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.832 -0.134 18412 5104 1 12 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.957 -0.628 18412 5105 1 12 . 1 1 74 74 ASP N N 74 118.600 118.600 119.499 -0.899 18412 5106 1 12 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.439 -0.259 18412 5107 1 12 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.416 -1.426 18412 5108 1 12 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.918 -1.883 18412 5109 1 12 . 1 1 74 74 ASP H H 74 9.152 9.152 8.776 0.376 18412 5110 1 12 . 1 1 75 75 LEU N N 75 120.762 120.762 119.838 0.924 18412 5111 1 12 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.960 -0.053 18412 5112 1 12 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.205 -0.843 18412 5113 1 12 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.267 -2.628 18412 5114 1 12 . 1 1 75 75 LEU H H 75 7.044 7.044 7.310 -0.266 18412 5115 1 12 . 1 1 76 76 LEU N N 76 118.917 118.917 120.567 -1.650 18412 5116 1 12 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.981 0.137 18412 5117 1 12 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.906 -0.052 18412 5118 1 12 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.493 1.113 18412 5119 1 12 . 1 1 76 76 LEU H H 76 7.850 7.850 8.115 -0.265 18412 5120 1 12 . 1 1 77 77 THR N N 77 114.574 114.574 115.732 -1.158 18412 5121 1 12 . 1 1 77 77 THR HA H 77 3.830 3.830 3.881 -0.051 18412 5122 1 12 . 1 1 77 77 THR CA C 77 66.882 66.882 67.011 -0.129 18412 5123 1 12 . 1 1 77 77 THR CB C 77 68.991 68.991 68.511 0.480 18412 5124 1 12 . 1 1 77 77 THR H H 77 8.287 8.287 8.334 -0.047 18412 5125 1 12 . 1 1 78 78 MET N N 78 118.873 118.873 118.592 0.281 18412 5126 1 12 . 1 1 78 78 MET HA H 78 4.155 4.155 4.246 -0.091 18412 5127 1 12 . 1 1 78 78 MET CA C 78 59.838 59.838 58.212 1.626 18412 5128 1 12 . 1 1 78 78 MET CB C 78 32.697 32.697 31.309 1.388 18412 5129 1 12 . 1 1 78 78 MET H H 78 7.032 7.032 7.731 -0.699 18412 5130 1 12 . 1 1 79 79 VAL N N 79 120.046 120.046 119.875 0.171 18412 5131 1 12 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.816 -0.095 18412 5132 1 12 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.308 0.673 18412 5133 1 12 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.108 0.924 18412 5134 1 12 . 1 1 79 79 VAL H H 79 7.633 7.633 7.495 0.138 18412 5135 1 12 . 1 1 80 80 VAL N N 80 121.510 121.510 121.429 0.081 18412 5136 1 12 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.768 -0.227 18412 5137 1 12 . 1 1 80 80 VAL CA C 80 67.105 67.105 66.468 0.638 18412 5138 1 12 . 1 1 80 80 VAL CB C 80 31.847 31.847 30.887 0.960 18412 5139 1 12 . 1 1 80 80 VAL H H 80 8.601 8.601 8.654 -0.053 18412 5140 1 12 . 1 1 81 81 ASP N N 81 121.760 121.760 119.998 1.762 18412 5141 1 12 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.340 0.013 18412 5142 1 12 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.311 0.365 18412 5143 1 12 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.967 -0.396 18412 5144 1 12 . 1 1 81 81 ASP H H 81 8.677 8.677 8.614 0.063 18412 5145 1 12 . 1 1 82 82 TYR N N 82 121.025 121.025 120.574 0.451 18412 5146 1 12 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.099 0.088 18412 5147 1 12 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.642 -0.139 18412 5148 1 12 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.516 0.107 18412 5149 1 12 . 1 1 82 82 TYR H H 82 7.608 7.608 8.014 -0.406 18412 5150 1 12 . 1 1 83 83 ARG N N 83 119.379 119.379 118.919 0.460 18412 5151 1 12 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.724 -0.053 18412 5152 1 12 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.634 0.243 18412 5153 1 12 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.797 0.581 18412 5154 1 12 . 1 1 83 83 ARG H H 83 8.596 8.596 8.221 0.375 18412 5155 1 12 . 1 1 84 84 THR N N 84 113.330 113.330 116.026 -2.696 18412 5156 1 12 . 1 1 84 84 THR HA H 84 3.946 3.946 3.994 -0.048 18412 5157 1 12 . 1 1 84 84 THR CA C 84 65.316 65.316 66.936 -1.620 18412 5158 1 12 . 1 1 84 84 THR CB C 84 69.273 69.273 68.737 0.536 18412 5159 1 12 . 1 1 84 84 THR H H 84 8.305 8.305 7.906 0.399 18412 5160 1 12 . 1 1 85 85 ARG N N 85 121.457 121.457 121.726 -0.269 18412 5161 1 12 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.008 0.049 18412 5162 1 12 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.401 -0.496 18412 5163 1 12 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.309 1.496 18412 5164 1 12 . 1 1 85 85 ARG H H 85 7.949 7.949 8.331 -0.382 18412 5165 1 12 . 1 1 86 86 VAL N N 86 117.232 117.232 120.103 -2.871 18412 5166 1 12 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.757 0.040 18412 5167 1 12 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.979 -1.715 18412 5168 1 12 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.358 0.349 18412 5169 1 12 . 1 1 86 86 VAL H H 86 7.962 7.962 8.079 -0.117 18412 5170 1 12 . 1 1 87 87 LEU N N 87 120.870 120.870 122.157 -1.287 18412 5171 1 12 . 1 1 87 87 LEU HA H 87 4.158 4.158 4.058 0.100 18412 5172 1 12 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.062 -2.006 18412 5173 1 12 . 1 1 87 87 LEU CB C 87 41.733 41.733 40.987 0.746 18412 5174 1 12 . 1 1 87 87 LEU H H 87 7.463 7.463 7.438 0.025 18412 5175 1 12 . 1 1 88 88 LYS N N 88 118.925 118.925 119.172 -0.247 18412 5176 1 12 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.139 0.029 18412 5177 1 12 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.176 -1.488 18412 5178 1 12 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.705 -0.583 18412 5179 1 12 . 1 1 88 88 LYS H H 88 7.602 7.602 7.845 -0.243 18412 5180 1 12 . 1 1 89 89 ILE N N 89 120.845 120.845 119.055 1.790 18412 5181 1 12 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.897 0.152 18412 5182 1 12 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.869 -1.002 18412 5183 1 12 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.630 0.030 18412 5184 1 12 . 1 1 89 89 ILE H H 89 7.882 7.882 7.798 0.084 18412 5185 1 13 . 1 1 2 2 ALA N N 2 124.384 124.384 124.179 0.205 18412 5186 1 13 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.211 -0.012 18412 5187 1 13 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.077 -0.424 18412 5188 1 13 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.773 0.612 18412 5189 1 13 . 1 1 2 2 ALA H H 2 8.326 8.326 8.492 -0.166 18412 5190 1 13 . 1 1 3 3 GLU N N 3 118.800 118.800 117.621 1.179 18412 5191 1 13 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.130 0.068 18412 5192 1 13 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.370 0.034 18412 5193 1 13 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.995 0.561 18412 5194 1 13 . 1 1 3 3 GLU H H 3 8.411 8.411 9.146 -0.735 18412 5195 1 13 . 1 1 4 4 TYR N N 4 123.838 123.838 120.689 3.149 18412 5196 1 13 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.634 0.370 18412 5197 1 13 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.370 0.262 18412 5198 1 13 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.716 0.686 18412 5199 1 13 . 1 1 4 4 TYR H H 4 8.448 8.448 8.376 0.072 18412 5200 1 13 . 1 1 5 5 GLY N N 5 105.816 105.816 105.914 -0.098 18412 5201 1 13 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.338 -0.196 18412 5202 1 13 . 1 1 5 5 GLY H H 5 8.250 8.250 8.287 -0.037 18412 5203 1 13 . 1 1 6 6 THR N N 6 119.523 119.523 119.526 -0.003 18412 5204 1 13 . 1 1 6 6 THR HA H 6 3.802 3.802 4.044 -0.242 18412 5205 1 13 . 1 1 6 6 THR CA C 6 66.449 66.449 65.507 0.942 18412 5206 1 13 . 1 1 6 6 THR CB C 6 68.391 68.391 68.990 -0.599 18412 5207 1 13 . 1 1 6 6 THR H H 6 7.868 7.868 7.820 0.048 18412 5208 1 13 . 1 1 7 7 LEU N N 7 123.502 123.502 123.251 0.251 18412 5209 1 13 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.837 0.402 18412 5210 1 13 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.233 -0.008 18412 5211 1 13 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.278 -1.525 18412 5212 1 13 . 1 1 7 7 LEU H H 7 7.594 7.594 8.092 -0.498 18412 5213 1 13 . 1 1 8 8 LEU N N 8 115.222 115.222 117.777 -2.555 18412 5214 1 13 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.320 -0.047 18412 5215 1 13 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.178 -0.044 18412 5216 1 13 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.800 0.336 18412 5217 1 13 . 1 1 8 8 LEU H H 8 7.654 7.654 7.545 0.109 18412 5218 1 13 . 1 1 9 9 GLN N N 9 120.743 120.743 118.859 1.884 18412 5219 1 13 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.937 -0.058 18412 5220 1 13 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.195 -0.419 18412 5221 1 13 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.039 0.889 18412 5222 1 13 . 1 1 9 9 GLN H H 9 7.688 7.688 7.523 0.165 18412 5223 1 13 . 1 1 10 10 ASP N N 10 122.554 122.554 120.710 1.844 18412 5224 1 13 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.358 -0.025 18412 5225 1 13 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.322 0.355 18412 5226 1 13 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.288 -0.351 18412 5227 1 13 . 1 1 10 10 ASP H H 10 8.656 8.656 8.129 0.527 18412 5228 1 13 . 1 1 11 11 LEU N N 11 119.408 119.408 117.347 2.061 18412 5229 1 13 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.239 -0.353 18412 5230 1 13 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.974 0.511 18412 5231 1 13 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.147 2.107 18412 5232 1 13 . 1 1 11 11 LEU H H 11 8.805 8.805 7.776 1.029 18412 5233 1 13 . 1 1 12 12 THR N N 12 113.945 113.945 115.658 -1.713 18412 5234 1 13 . 1 1 12 12 THR HA H 12 3.875 3.875 4.121 -0.246 18412 5235 1 13 . 1 1 12 12 THR CA C 12 67.829 67.829 65.978 1.851 18412 5236 1 13 . 1 1 12 12 THR CB C 12 68.521 68.521 68.204 0.318 18412 5237 1 13 . 1 1 12 12 THR H H 12 8.305 8.305 8.001 0.304 18412 5238 1 13 . 1 1 13 13 ASN N N 13 119.138 119.138 118.774 0.364 18412 5239 1 13 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.528 0.062 18412 5240 1 13 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.806 -1.157 18412 5241 1 13 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.167 0.096 18412 5242 1 13 . 1 1 13 13 ASN H H 13 8.180 8.180 8.385 -0.205 18412 5243 1 13 . 1 1 14 14 ASN N N 14 117.905 117.905 115.694 2.211 18412 5244 1 13 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.729 0.097 18412 5245 1 13 . 1 1 14 14 ASN CA C 14 53.358 53.358 52.977 0.381 18412 5246 1 13 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.344 2.114 18412 5247 1 13 . 1 1 14 14 ASN H H 14 7.778 7.778 7.522 0.256 18412 5248 1 13 . 1 1 15 15 ILE N N 15 120.690 120.690 121.678 -0.988 18412 5249 1 13 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.150 0.561 18412 5250 1 13 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.218 0.659 18412 5251 1 13 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.432 4.912 18412 5252 1 13 . 1 1 15 15 ILE H H 15 7.234 7.234 7.364 -0.130 18412 5253 1 13 . 1 1 16 16 THR N N 16 120.066 120.066 118.879 1.187 18412 5254 1 13 . 1 1 16 16 THR HA H 16 4.536 4.536 4.640 -0.104 18412 5255 1 13 . 1 1 16 16 THR CA C 16 60.804 60.804 59.994 0.810 18412 5256 1 13 . 1 1 16 16 THR CB C 16 71.263 71.263 71.693 -0.430 18412 5257 1 13 . 1 1 16 16 THR H H 16 9.188 9.188 8.058 1.130 18412 5258 1 13 . 1 1 17 17 LEU N N 17 121.043 121.043 123.477 -2.434 18412 5259 1 13 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.838 0.158 18412 5260 1 13 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.853 -0.160 18412 5261 1 13 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.492 -0.165 18412 5262 1 13 . 1 1 17 17 LEU H H 17 8.662 8.662 8.936 -0.274 18412 5263 1 13 . 1 1 18 18 GLU N N 18 118.968 118.968 119.013 -0.045 18412 5264 1 13 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.932 0.015 18412 5265 1 13 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.595 0.391 18412 5266 1 13 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.099 0.049 18412 5267 1 13 . 1 1 18 18 GLU H H 18 8.374 8.374 8.703 -0.329 18412 5268 1 13 . 1 1 19 19 ASP N N 19 121.542 121.542 121.206 0.336 18412 5269 1 13 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.317 -0.174 18412 5270 1 13 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.667 -1.076 18412 5271 1 13 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.621 0.691 18412 5272 1 13 . 1 1 19 19 ASP H H 19 7.857 7.857 8.343 -0.486 18412 5273 1 13 . 1 1 20 20 LEU N N 20 120.904 120.904 120.445 0.459 18412 5274 1 13 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.604 -0.187 18412 5275 1 13 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.294 -1.380 18412 5276 1 13 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.533 -0.431 18412 5277 1 13 . 1 1 20 20 LEU H H 20 8.412 8.412 8.626 -0.214 18412 5278 1 13 . 1 1 21 21 GLU N N 21 117.187 117.187 118.200 -1.013 18412 5279 1 13 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.842 -0.044 18412 5280 1 13 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.578 -0.307 18412 5281 1 13 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.869 0.048 18412 5282 1 13 . 1 1 21 21 GLU H H 21 7.462 7.462 8.435 -0.973 18412 5283 1 13 . 1 1 22 22 GLN N N 22 118.617 118.617 120.336 -1.719 18412 5284 1 13 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.113 -0.094 18412 5285 1 13 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.215 0.372 18412 5286 1 13 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.323 -0.088 18412 5287 1 13 . 1 1 22 22 GLN H H 22 7.135 7.135 8.137 -1.002 18412 5288 1 13 . 1 1 23 23 LEU N N 23 121.325 121.325 120.469 0.856 18412 5289 1 13 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.750 -0.045 18412 5290 1 13 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.823 -0.038 18412 5291 1 13 . 1 1 23 23 LEU CB C 23 39.620 39.620 40.902 -1.282 18412 5292 1 13 . 1 1 23 23 LEU H H 23 7.833 7.833 8.580 -0.747 18412 5293 1 13 . 1 1 24 24 LYS N N 24 116.045 116.045 118.754 -2.709 18412 5294 1 13 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.773 -0.123 18412 5295 1 13 . 1 1 24 24 LYS CA C 24 60.545 60.545 58.606 1.939 18412 5296 1 13 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.471 0.341 18412 5297 1 13 . 1 1 24 24 LYS H H 24 8.307 8.307 8.339 -0.032 18412 5298 1 13 . 1 1 25 25 SER N N 25 116.071 116.071 115.389 0.682 18412 5299 1 13 . 1 1 25 25 SER HA H 25 4.111 4.111 4.160 -0.049 18412 5300 1 13 . 1 1 25 25 SER CA C 25 61.557 61.557 61.475 0.082 18412 5301 1 13 . 1 1 25 25 SER CB C 25 62.565 62.565 62.713 -0.148 18412 5302 1 13 . 1 1 25 25 SER H H 25 7.781 7.781 7.916 -0.135 18412 5303 1 13 . 1 1 26 26 ALA N N 26 123.448 123.448 124.514 -1.066 18412 5304 1 13 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.026 0.149 18412 5305 1 13 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.875 -0.626 18412 5306 1 13 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.338 0.375 18412 5307 1 13 . 1 1 26 26 ALA H H 26 7.735 7.735 7.971 -0.236 18412 5308 1 13 . 1 1 27 27 CYS N N 27 113.480 113.480 117.168 -3.688 18412 5309 1 13 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.405 0.226 18412 5310 1 13 . 1 1 27 27 CYS CA C 27 59.381 59.381 61.525 -2.144 18412 5311 1 13 . 1 1 27 27 CYS CB C 27 28.634 28.634 27.033 1.601 18412 5312 1 13 . 1 1 27 27 CYS H H 27 7.390 7.390 8.518 -1.128 18412 5313 1 13 . 1 1 28 28 LYS N N 28 118.354 118.354 120.876 -2.522 18412 5314 1 13 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.035 -0.090 18412 5315 1 13 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.258 -0.838 18412 5316 1 13 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.446 0.101 18412 5317 1 13 . 1 1 28 28 LYS H H 28 7.634 7.634 7.744 -0.110 18412 5318 1 13 . 1 1 29 29 GLU N N 29 118.875 118.875 118.405 0.470 18412 5319 1 13 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.178 -0.021 18412 5320 1 13 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.289 -0.049 18412 5321 1 13 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.639 -0.775 18412 5322 1 13 . 1 1 29 29 GLU H H 29 8.552 8.552 8.512 0.040 18412 5323 1 13 . 1 1 30 30 ASP N N 30 117.610 117.610 117.872 -0.262 18412 5324 1 13 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.605 -0.017 18412 5325 1 13 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.328 0.555 18412 5326 1 13 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.575 -0.048 18412 5327 1 13 . 1 1 30 30 ASP H H 30 7.962 7.962 7.627 0.335 18412 5328 1 13 . 1 1 31 31 ILE N N 31 116.930 116.930 122.280 -5.350 18412 5329 1 13 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.653 -0.286 18412 5330 1 13 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.383 0.650 18412 5331 1 13 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.799 -1.030 18412 5332 1 13 . 1 1 31 31 ILE H H 31 7.317 7.317 8.256 -0.939 18412 5333 1 13 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.595 -0.134 18412 5334 1 13 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.991 -0.146 18412 5335 1 13 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.357 0.157 18412 5336 1 13 . 1 1 33 33 SER N N 33 119.808 119.808 119.276 0.532 18412 5337 1 13 . 1 1 33 33 SER HA H 33 4.141 4.141 3.936 0.205 18412 5338 1 13 . 1 1 33 33 SER CA C 33 61.125 61.125 62.094 -0.969 18412 5339 1 13 . 1 1 33 33 SER CB C 33 63.000 63.000 63.110 -0.110 18412 5340 1 13 . 1 1 33 33 SER H H 33 8.778 8.778 8.901 -0.123 18412 5341 1 13 . 1 1 34 34 GLU N N 34 120.906 120.906 119.230 1.676 18412 5342 1 13 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.074 0.131 18412 5343 1 13 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.534 -0.834 18412 5344 1 13 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.428 -0.716 18412 5345 1 13 . 1 1 34 34 GLU H H 34 9.336 9.336 8.610 0.726 18412 5346 1 13 . 1 1 35 35 LYS N N 35 117.698 117.698 117.402 0.296 18412 5347 1 13 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.985 0.362 18412 5348 1 13 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.367 -1.907 18412 5349 1 13 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.610 0.647 18412 5350 1 13 . 1 1 35 35 LYS H H 35 7.659 7.659 7.869 -0.210 18412 5351 1 13 . 1 1 36 36 SER N N 36 114.472 114.472 115.464 -0.992 18412 5352 1 13 . 1 1 36 36 SER HA H 36 3.652 3.652 4.097 -0.445 18412 5353 1 13 . 1 1 36 36 SER CA C 36 61.450 61.450 61.460 -0.010 18412 5354 1 13 . 1 1 36 36 SER CB C 36 62.820 62.820 62.730 0.090 18412 5355 1 13 . 1 1 36 36 SER H H 36 7.732 7.732 8.566 -0.834 18412 5356 1 13 . 1 1 37 37 GLU N N 37 118.258 118.258 121.038 -2.780 18412 5357 1 13 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.079 -0.109 18412 5358 1 13 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.846 -0.733 18412 5359 1 13 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.265 0.279 18412 5360 1 13 . 1 1 37 37 GLU H H 37 8.187 8.187 7.703 0.484 18412 5361 1 13 . 1 1 38 38 GLU N N 38 115.652 115.652 116.682 -1.030 18412 5362 1 13 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.274 -0.078 18412 5363 1 13 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.777 -0.283 18412 5364 1 13 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.680 0.422 18412 5365 1 13 . 1 1 38 38 GLU H H 38 7.472 7.472 7.680 -0.208 18412 5366 1 13 . 1 1 39 39 ILE N N 39 121.367 121.367 122.681 -1.314 18412 5367 1 13 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.120 -0.135 18412 5368 1 13 . 1 1 39 39 ILE CA C 39 60.919 60.919 60.916 0.003 18412 5369 1 13 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.956 1.448 18412 5370 1 13 . 1 1 39 39 ILE H H 39 7.504 7.504 7.171 0.333 18412 5371 1 13 . 1 1 40 40 THR N N 40 115.102 115.102 116.274 -1.172 18412 5372 1 13 . 1 1 40 40 THR HA H 40 4.459 4.459 4.426 0.033 18412 5373 1 13 . 1 1 40 40 THR CA C 40 61.169 61.169 62.266 -1.097 18412 5374 1 13 . 1 1 40 40 THR CB C 40 69.913 69.913 69.031 0.882 18412 5375 1 13 . 1 1 40 40 THR H H 40 8.173 8.173 7.722 0.451 18412 5376 1 13 . 1 1 41 41 THR N N 41 108.664 108.664 112.679 -4.015 18412 5377 1 13 . 1 1 41 41 THR HA H 41 4.602 4.602 4.493 0.109 18412 5378 1 13 . 1 1 41 41 THR CA C 41 59.116 59.116 60.511 -1.395 18412 5379 1 13 . 1 1 41 41 THR CB C 41 73.442 73.442 70.377 3.065 18412 5380 1 13 . 1 1 41 41 THR H H 41 7.104 7.104 7.365 -0.261 18412 5381 1 13 . 1 1 42 42 GLY N N 42 109.200 109.200 111.702 -2.502 18412 5382 1 13 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.310 0.201 18412 5383 1 13 . 1 1 42 42 GLY H H 42 9.196 9.196 8.999 0.197 18412 5384 1 13 . 1 1 43 43 SER N N 43 114.564 114.564 117.767 -3.203 18412 5385 1 13 . 1 1 43 43 SER HA H 43 4.360 4.360 4.302 0.058 18412 5386 1 13 . 1 1 43 43 SER CA C 43 61.523 61.523 61.194 0.329 18412 5387 1 13 . 1 1 43 43 SER CB C 43 62.448 62.448 63.193 -0.745 18412 5388 1 13 . 1 1 43 43 SER H H 43 8.208 8.208 8.256 -0.048 18412 5389 1 13 . 1 1 44 44 ALA N N 44 123.757 123.757 124.782 -1.025 18412 5390 1 13 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.262 0.019 18412 5391 1 13 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.836 -0.310 18412 5392 1 13 . 1 1 44 44 ALA CB C 44 19.333 19.333 17.998 1.335 18412 5393 1 13 . 1 1 44 44 ALA H H 44 7.964 7.964 8.222 -0.258 18412 5394 1 13 . 1 1 45 45 TRP N N 45 122.904 122.904 120.488 2.416 18412 5395 1 13 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.396 -0.168 18412 5396 1 13 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.365 1.265 18412 5397 1 13 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.145 -1.621 18412 5398 1 13 . 1 1 45 45 TRP H H 45 8.001 8.001 7.701 0.300 18412 5399 1 13 . 1 1 46 46 PHE N N 46 116.699 116.699 118.616 -1.917 18412 5400 1 13 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.689 0.197 18412 5401 1 13 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.968 -0.276 18412 5402 1 13 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.171 -0.326 18412 5403 1 13 . 1 1 46 46 PHE H H 46 8.250 8.250 7.748 0.502 18412 5404 1 13 . 1 1 47 47 SER N N 47 113.740 113.740 115.354 -1.614 18412 5405 1 13 . 1 1 47 47 SER HA H 47 4.419 4.419 4.200 0.219 18412 5406 1 13 . 1 1 47 47 SER CA C 47 61.723 61.723 61.690 0.033 18412 5407 1 13 . 1 1 47 47 SER CB C 47 62.769 62.769 62.554 0.215 18412 5408 1 13 . 1 1 47 47 SER H H 47 8.331 8.331 8.888 -0.557 18412 5409 1 13 . 1 1 48 48 PHE N N 48 124.310 124.310 124.104 0.206 18412 5410 1 13 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.219 0.033 18412 5411 1 13 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.872 0.915 18412 5412 1 13 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.769 0.162 18412 5413 1 13 . 1 1 48 48 PHE H H 48 8.175 8.175 7.922 0.253 18412 5414 1 13 . 1 1 49 49 LEU N N 49 120.565 120.565 120.369 0.196 18412 5415 1 13 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.361 0.161 18412 5416 1 13 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.135 0.098 18412 5417 1 13 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.541 -0.016 18412 5418 1 13 . 1 1 49 49 LEU H H 49 8.212 8.212 8.504 -0.292 18412 5419 1 13 . 1 1 50 50 GLU N N 50 120.639 120.639 118.217 2.422 18412 5420 1 13 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.211 0.365 18412 5421 1 13 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.968 0.208 18412 5422 1 13 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.368 1.256 18412 5423 1 13 . 1 1 50 50 GLU H H 50 8.702 8.702 8.764 -0.062 18412 5424 1 13 . 1 1 51 51 SER N N 51 116.044 116.044 113.267 2.777 18412 5425 1 13 . 1 1 51 51 SER HA H 51 4.178 4.178 4.307 -0.129 18412 5426 1 13 . 1 1 51 51 SER CA C 51 60.575 60.575 60.515 0.060 18412 5427 1 13 . 1 1 51 51 SER CB C 51 62.881 62.881 63.682 -0.801 18412 5428 1 13 . 1 1 51 51 SER H H 51 8.272 8.272 7.652 0.620 18412 5429 1 13 . 1 1 52 52 HIS N N 52 118.134 118.134 117.947 0.187 18412 5430 1 13 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.565 -0.161 18412 5431 1 13 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.782 2.635 18412 5432 1 13 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.374 -2.954 18412 5433 1 13 . 1 1 52 52 HIS H H 52 7.217 7.217 7.615 -0.398 18412 5434 1 13 . 1 1 53 53 ASN N N 53 113.597 113.597 120.581 -6.984 18412 5435 1 13 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.633 -0.123 18412 5436 1 13 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.333 1.472 18412 5437 1 13 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.040 -0.277 18412 5438 1 13 . 1 1 53 53 ASN H H 53 7.893 7.893 8.858 -0.965 18412 5439 1 13 . 1 1 54 54 LYS N N 54 113.123 113.123 119.471 -6.348 18412 5440 1 13 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.329 -0.094 18412 5441 1 13 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.935 -1.672 18412 5442 1 13 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.517 0.028 18412 5443 1 13 . 1 1 54 54 LYS H H 54 8.082 8.082 8.030 0.052 18412 5444 1 13 . 1 1 55 55 LEU N N 55 120.215 120.215 120.597 -0.382 18412 5445 1 13 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.695 -0.040 18412 5446 1 13 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.085 0.182 18412 5447 1 13 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.489 2.888 18412 5448 1 13 . 1 1 55 55 LEU H H 55 6.882 6.882 7.292 -0.410 18412 5449 1 13 . 1 1 56 56 ASP N N 56 120.831 120.831 126.996 -6.165 18412 5450 1 13 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.751 -0.359 18412 5451 1 13 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.431 -0.765 18412 5452 1 13 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.944 -0.629 18412 5453 1 13 . 1 1 56 56 ASP H H 56 8.078 8.078 8.398 -0.320 18412 5454 1 13 . 1 1 57 57 LYS N N 57 115.203 115.203 119.776 -4.573 18412 5455 1 13 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.092 -0.727 18412 5456 1 13 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.914 -0.262 18412 5457 1 13 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.067 -0.749 18412 5458 1 13 . 1 1 57 57 LYS H H 57 7.958 7.958 8.688 -0.730 18412 5459 1 13 . 1 1 58 58 ASP N N 58 118.074 118.074 115.580 2.494 18412 5460 1 13 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.411 0.546 18412 5461 1 13 . 1 1 58 58 ASP CA C 58 54.283 54.283 55.362 -1.079 18412 5462 1 13 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.057 2.002 18412 5463 1 13 . 1 1 58 58 ASP H H 58 8.336 8.336 8.211 0.125 18412 5464 1 13 . 1 1 59 59 ASN N N 59 119.835 119.835 118.280 1.555 18412 5465 1 13 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.729 0.231 18412 5466 1 13 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.443 -0.714 18412 5467 1 13 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.775 0.102 18412 5468 1 13 . 1 1 59 59 ASN H H 59 7.850 7.850 8.166 -0.316 18412 5469 1 13 . 1 1 60 60 LEU N N 60 125.541 125.541 118.633 6.908 18412 5470 1 13 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.936 -0.376 18412 5471 1 13 . 1 1 60 60 LEU CA C 60 54.248 54.248 55.945 -1.697 18412 5472 1 13 . 1 1 60 60 LEU CB C 60 42.190 42.190 43.178 -0.988 18412 5473 1 13 . 1 1 60 60 LEU H H 60 8.995 8.995 8.413 0.582 18412 5474 1 13 . 1 1 61 61 SER N N 61 114.344 114.344 118.594 -4.250 18412 5475 1 13 . 1 1 61 61 SER HA H 61 4.159 4.159 4.427 -0.268 18412 5476 1 13 . 1 1 61 61 SER CA C 61 62.002 62.002 62.379 -0.377 18412 5477 1 13 . 1 1 61 61 SER CB C 61 62.987 62.987 62.908 0.079 18412 5478 1 13 . 1 1 61 61 SER H H 61 7.880 7.880 8.332 -0.452 18412 5479 1 13 . 1 1 62 62 TYR N N 62 125.087 125.087 122.039 3.048 18412 5480 1 13 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.275 0.024 18412 5481 1 13 . 1 1 62 62 TYR CA C 62 62.205 62.205 60.250 1.955 18412 5482 1 13 . 1 1 62 62 TYR CB C 62 38.925 38.925 37.916 1.009 18412 5483 1 13 . 1 1 62 62 TYR H H 62 8.765 8.765 8.293 0.472 18412 5484 1 13 . 1 1 63 63 ILE N N 63 111.338 111.338 116.498 -5.160 18412 5485 1 13 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.353 0.289 18412 5486 1 13 . 1 1 63 63 ILE CA C 63 65.118 65.118 63.885 1.233 18412 5487 1 13 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.874 -0.491 18412 5488 1 13 . 1 1 63 63 ILE H H 63 7.631 7.631 7.649 -0.018 18412 5489 1 13 . 1 1 64 64 GLU N N 64 121.049 121.049 122.026 -0.977 18412 5490 1 13 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.067 -0.342 18412 5491 1 13 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.181 0.714 18412 5492 1 13 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.643 0.595 18412 5493 1 13 . 1 1 64 64 GLU H H 64 7.987 7.987 8.386 -0.399 18412 5494 1 13 . 1 1 65 65 HIS N N 65 117.657 117.657 119.129 -1.472 18412 5495 1 13 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.338 0.100 18412 5496 1 13 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.295 -0.274 18412 5497 1 13 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.716 -1.129 18412 5498 1 13 . 1 1 65 65 HIS H H 65 7.513 7.513 7.919 -0.406 18412 5499 1 13 . 1 1 66 66 ILE N N 66 118.281 118.281 119.118 -0.837 18412 5500 1 13 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.469 -0.042 18412 5501 1 13 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.685 -1.947 18412 5502 1 13 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.179 -1.093 18412 5503 1 13 . 1 1 66 66 ILE H H 66 7.924 7.924 7.636 0.288 18412 5504 1 13 . 1 1 67 67 PHE N N 67 121.084 121.084 116.749 4.335 18412 5505 1 13 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.154 0.312 18412 5506 1 13 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.068 -3.386 18412 5507 1 13 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.714 -1.036 18412 5508 1 13 . 1 1 67 67 PHE H H 67 8.737 8.737 7.934 0.803 18412 5509 1 13 . 1 1 68 68 GLU N N 68 120.739 120.739 120.273 0.466 18412 5510 1 13 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.079 0.007 18412 5511 1 13 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.176 0.923 18412 5512 1 13 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.853 -0.118 18412 5513 1 13 . 1 1 68 68 GLU H H 68 8.228 8.228 7.414 0.814 18412 5514 1 13 . 1 1 69 69 ILE N N 69 117.535 117.535 114.043 3.492 18412 5515 1 13 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.970 0.070 18412 5516 1 13 . 1 1 69 69 ILE CA C 69 64.231 64.231 62.907 1.324 18412 5517 1 13 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.079 -0.452 18412 5518 1 13 . 1 1 69 69 ILE H H 69 8.393 8.393 7.820 0.573 18412 5519 1 13 . 1 1 70 70 SER N N 70 115.058 115.058 116.377 -1.319 18412 5520 1 13 . 1 1 70 70 SER HA H 70 4.419 4.419 4.333 0.086 18412 5521 1 13 . 1 1 70 70 SER CA C 70 58.502 58.502 57.838 0.664 18412 5522 1 13 . 1 1 70 70 SER CB C 70 63.029 63.029 64.163 -1.134 18412 5523 1 13 . 1 1 70 70 SER H H 70 7.857 7.857 7.956 -0.099 18412 5524 1 13 . 1 1 71 71 ARG N N 71 115.621 115.621 126.270 -10.649 18412 5525 1 13 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.287 -0.385 18412 5526 1 13 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.030 0.422 18412 5527 1 13 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.693 -1.343 18412 5528 1 13 . 1 1 71 71 ARG H H 71 7.753 7.753 8.706 -0.953 18412 5529 1 13 . 1 1 72 72 ARG N N 72 115.226 115.226 120.477 -5.251 18412 5530 1 13 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.724 0.350 18412 5531 1 13 . 1 1 72 72 ARG CA C 72 49.613 49.613 54.228 -4.615 18412 5532 1 13 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.167 -1.605 18412 5533 1 13 . 1 1 72 72 ARG H H 72 8.006 8.006 8.300 -0.294 18412 5534 1 13 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.408 -0.071 18412 5535 1 13 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.448 0.250 18412 5536 1 13 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.897 -0.568 18412 5537 1 13 . 1 1 74 74 ASP N N 74 118.600 118.600 119.415 -0.815 18412 5538 1 13 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.418 -0.238 18412 5539 1 13 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.335 -1.345 18412 5540 1 13 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.927 -1.892 18412 5541 1 13 . 1 1 74 74 ASP H H 74 9.152 9.152 8.353 0.799 18412 5542 1 13 . 1 1 75 75 LEU N N 75 120.762 120.762 119.776 0.986 18412 5543 1 13 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.910 -0.003 18412 5544 1 13 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.355 -0.993 18412 5545 1 13 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.232 -2.593 18412 5546 1 13 . 1 1 75 75 LEU H H 75 7.044 7.044 7.477 -0.433 18412 5547 1 13 . 1 1 76 76 LEU N N 76 118.917 118.917 120.549 -1.632 18412 5548 1 13 . 1 1 76 76 LEU HA H 76 4.118 4.118 4.028 0.090 18412 5549 1 13 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.703 0.151 18412 5550 1 13 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.415 1.191 18412 5551 1 13 . 1 1 76 76 LEU H H 76 7.850 7.850 7.533 0.317 18412 5552 1 13 . 1 1 77 77 THR N N 77 114.574 114.574 115.386 -0.812 18412 5553 1 13 . 1 1 77 77 THR HA H 77 3.830 3.830 3.962 -0.132 18412 5554 1 13 . 1 1 77 77 THR CA C 77 66.882 66.882 66.769 0.113 18412 5555 1 13 . 1 1 77 77 THR CB C 77 68.991 68.991 68.229 0.762 18412 5556 1 13 . 1 1 77 77 THR H H 77 8.287 8.287 8.282 0.005 18412 5557 1 13 . 1 1 78 78 MET N N 78 118.873 118.873 118.759 0.114 18412 5558 1 13 . 1 1 78 78 MET HA H 78 4.155 4.155 4.253 -0.098 18412 5559 1 13 . 1 1 78 78 MET CA C 78 59.838 59.838 57.813 2.025 18412 5560 1 13 . 1 1 78 78 MET CB C 78 32.697 32.697 31.357 1.341 18412 5561 1 13 . 1 1 78 78 MET H H 78 7.032 7.032 7.725 -0.693 18412 5562 1 13 . 1 1 79 79 VAL N N 79 120.046 120.046 120.238 -0.192 18412 5563 1 13 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.761 -0.040 18412 5564 1 13 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.581 0.400 18412 5565 1 13 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.642 0.390 18412 5566 1 13 . 1 1 79 79 VAL H H 79 7.633 7.633 7.428 0.205 18412 5567 1 13 . 1 1 80 80 VAL N N 80 121.510 121.510 120.249 1.261 18412 5568 1 13 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.675 -0.134 18412 5569 1 13 . 1 1 80 80 VAL CA C 80 67.105 67.105 66.490 0.615 18412 5570 1 13 . 1 1 80 80 VAL CB C 80 31.847 31.847 30.483 1.364 18412 5571 1 13 . 1 1 80 80 VAL H H 80 8.601 8.601 8.574 0.027 18412 5572 1 13 . 1 1 81 81 ASP N N 81 121.760 121.760 120.152 1.608 18412 5573 1 13 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.385 -0.032 18412 5574 1 13 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.381 0.295 18412 5575 1 13 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.222 0.349 18412 5576 1 13 . 1 1 81 81 ASP H H 81 8.677 8.677 8.660 0.017 18412 5577 1 13 . 1 1 82 82 TYR N N 82 121.025 121.025 121.675 -0.650 18412 5578 1 13 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.067 0.120 18412 5579 1 13 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.374 0.129 18412 5580 1 13 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.517 0.106 18412 5581 1 13 . 1 1 82 82 TYR H H 82 7.608 7.608 8.343 -0.735 18412 5582 1 13 . 1 1 83 83 ARG N N 83 119.379 119.379 118.522 0.857 18412 5583 1 13 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.746 -0.075 18412 5584 1 13 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.229 0.648 18412 5585 1 13 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.651 0.727 18412 5586 1 13 . 1 1 83 83 ARG H H 83 8.596 8.596 8.101 0.495 18412 5587 1 13 . 1 1 84 84 THR N N 84 113.330 113.330 115.931 -2.601 18412 5588 1 13 . 1 1 84 84 THR HA H 84 3.946 3.946 4.054 -0.108 18412 5589 1 13 . 1 1 84 84 THR CA C 84 65.316 65.316 66.870 -1.554 18412 5590 1 13 . 1 1 84 84 THR CB C 84 69.273 69.273 68.508 0.765 18412 5591 1 13 . 1 1 84 84 THR H H 84 8.305 8.305 7.925 0.380 18412 5592 1 13 . 1 1 85 85 ARG N N 85 121.457 121.457 122.303 -0.846 18412 5593 1 13 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.077 -0.020 18412 5594 1 13 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.337 -0.433 18412 5595 1 13 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.478 1.327 18412 5596 1 13 . 1 1 85 85 ARG H H 85 7.949 7.949 8.492 -0.543 18412 5597 1 13 . 1 1 86 86 VAL N N 86 117.232 117.232 119.700 -2.468 18412 5598 1 13 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.842 -0.045 18412 5599 1 13 . 1 1 86 86 VAL CA C 86 64.264 64.264 64.500 -0.236 18412 5600 1 13 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.383 1.324 18412 5601 1 13 . 1 1 86 86 VAL H H 86 7.962 7.962 8.099 -0.137 18412 5602 1 13 . 1 1 87 87 LEU N N 87 120.870 120.870 121.982 -1.112 18412 5603 1 13 . 1 1 87 87 LEU HA H 87 4.158 4.158 4.010 0.148 18412 5604 1 13 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.179 -2.123 18412 5605 1 13 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.723 0.010 18412 5606 1 13 . 1 1 87 87 LEU H H 87 7.463 7.463 7.309 0.154 18412 5607 1 13 . 1 1 88 88 LYS N N 88 118.925 118.925 119.226 -0.301 18412 5608 1 13 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.103 0.065 18412 5609 1 13 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.307 -1.619 18412 5610 1 13 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.883 -0.761 18412 5611 1 13 . 1 1 88 88 LYS H H 88 7.602 7.602 7.962 -0.360 18412 5612 1 13 . 1 1 89 89 ILE N N 89 120.845 120.845 119.485 1.360 18412 5613 1 13 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.894 0.155 18412 5614 1 13 . 1 1 89 89 ILE CA C 89 61.867 61.867 63.056 -1.190 18412 5615 1 13 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.609 0.051 18412 5616 1 13 . 1 1 89 89 ILE H H 89 7.882 7.882 8.279 -0.397 18412 5617 1 14 . 1 1 2 2 ALA N N 2 124.384 124.384 123.975 0.409 18412 5618 1 14 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.193 0.006 18412 5619 1 14 . 1 1 2 2 ALA CA C 2 54.652 54.652 54.962 -0.310 18412 5620 1 14 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.646 0.739 18412 5621 1 14 . 1 1 2 2 ALA H H 2 8.326 8.326 8.524 -0.198 18412 5622 1 14 . 1 1 3 3 GLU N N 3 118.800 118.800 117.799 1.001 18412 5623 1 14 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.138 0.060 18412 5624 1 14 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.473 -0.069 18412 5625 1 14 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.090 0.466 18412 5626 1 14 . 1 1 3 3 GLU H H 3 8.411 8.411 9.103 -0.692 18412 5627 1 14 . 1 1 4 4 TYR N N 4 123.838 123.838 120.621 3.217 18412 5628 1 14 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.550 0.454 18412 5629 1 14 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.352 0.280 18412 5630 1 14 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.739 0.663 18412 5631 1 14 . 1 1 4 4 TYR H H 4 8.448 8.448 8.413 0.035 18412 5632 1 14 . 1 1 5 5 GLY N N 5 105.816 105.816 106.435 -0.619 18412 5633 1 14 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.576 -0.434 18412 5634 1 14 . 1 1 5 5 GLY H H 5 8.250 8.250 8.521 -0.271 18412 5635 1 14 . 1 1 6 6 THR N N 6 119.523 119.523 118.326 1.197 18412 5636 1 14 . 1 1 6 6 THR HA H 6 3.802 3.802 3.942 -0.140 18412 5637 1 14 . 1 1 6 6 THR CA C 6 66.449 66.449 65.768 0.681 18412 5638 1 14 . 1 1 6 6 THR CB C 6 68.391 68.391 68.333 0.058 18412 5639 1 14 . 1 1 6 6 THR H H 6 7.868 7.868 8.038 -0.170 18412 5640 1 14 . 1 1 7 7 LEU N N 7 123.502 123.502 122.992 0.510 18412 5641 1 14 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.834 0.405 18412 5642 1 14 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.013 0.212 18412 5643 1 14 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.727 -0.974 18412 5644 1 14 . 1 1 7 7 LEU H H 7 7.594 7.594 8.271 -0.677 18412 5645 1 14 . 1 1 8 8 LEU N N 8 115.222 115.222 117.721 -2.499 18412 5646 1 14 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.420 -0.147 18412 5647 1 14 . 1 1 8 8 LEU CA C 8 58.134 58.134 57.949 0.185 18412 5648 1 14 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.879 0.257 18412 5649 1 14 . 1 1 8 8 LEU H H 8 7.654 7.654 8.110 -0.456 18412 5650 1 14 . 1 1 9 9 GLN N N 9 120.743 120.743 119.490 1.253 18412 5651 1 14 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.990 -0.111 18412 5652 1 14 . 1 1 9 9 GLN CA C 9 58.776 58.776 58.710 0.066 18412 5653 1 14 . 1 1 9 9 GLN CB C 9 28.928 28.928 27.719 1.209 18412 5654 1 14 . 1 1 9 9 GLN H H 9 7.688 7.688 7.690 -0.002 18412 5655 1 14 . 1 1 10 10 ASP N N 10 122.554 122.554 120.565 1.989 18412 5656 1 14 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.359 -0.026 18412 5657 1 14 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.309 0.368 18412 5658 1 14 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.307 -0.370 18412 5659 1 14 . 1 1 10 10 ASP H H 10 8.656 8.656 8.173 0.483 18412 5660 1 14 . 1 1 11 11 LEU N N 11 119.408 119.408 117.625 1.783 18412 5661 1 14 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.173 -0.287 18412 5662 1 14 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.209 0.276 18412 5663 1 14 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.029 2.224 18412 5664 1 14 . 1 1 11 11 LEU H H 11 8.805 8.805 7.766 1.039 18412 5665 1 14 . 1 1 12 12 THR N N 12 113.945 113.945 115.912 -1.967 18412 5666 1 14 . 1 1 12 12 THR HA H 12 3.875 3.875 4.066 -0.191 18412 5667 1 14 . 1 1 12 12 THR CA C 12 67.829 67.829 67.043 0.786 18412 5668 1 14 . 1 1 12 12 THR CB C 12 68.521 68.521 68.543 -0.022 18412 5669 1 14 . 1 1 12 12 THR H H 12 8.305 8.305 8.002 0.303 18412 5670 1 14 . 1 1 13 13 ASN N N 13 119.138 119.138 117.486 1.652 18412 5671 1 14 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.590 -0.000 18412 5672 1 14 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.591 -0.941 18412 5673 1 14 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.313 -0.050 18412 5674 1 14 . 1 1 13 13 ASN H H 13 8.180 8.180 8.185 -0.005 18412 5675 1 14 . 1 1 14 14 ASN N N 14 117.905 117.905 115.951 1.954 18412 5676 1 14 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.724 0.102 18412 5677 1 14 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.325 0.033 18412 5678 1 14 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.490 1.968 18412 5679 1 14 . 1 1 14 14 ASN H H 14 7.778 7.778 7.579 0.199 18412 5680 1 14 . 1 1 15 15 ILE N N 15 120.690 120.690 121.053 -0.363 18412 5681 1 14 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.110 0.601 18412 5682 1 14 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.863 0.014 18412 5683 1 14 . 1 1 15 15 ILE CB C 15 41.344 41.344 37.074 4.270 18412 5684 1 14 . 1 1 15 15 ILE H H 15 7.234 7.234 7.037 0.197 18412 5685 1 14 . 1 1 16 16 THR N N 16 120.066 120.066 119.516 0.550 18412 5686 1 14 . 1 1 16 16 THR HA H 16 4.536 4.536 4.504 0.032 18412 5687 1 14 . 1 1 16 16 THR CA C 16 60.804 60.804 60.240 0.564 18412 5688 1 14 . 1 1 16 16 THR CB C 16 71.263 71.263 71.136 0.127 18412 5689 1 14 . 1 1 16 16 THR H H 16 9.188 9.188 8.362 0.826 18412 5690 1 14 . 1 1 17 17 LEU N N 17 121.043 121.043 124.934 -3.891 18412 5691 1 14 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.931 0.065 18412 5692 1 14 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.937 -0.243 18412 5693 1 14 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.938 -0.612 18412 5694 1 14 . 1 1 17 17 LEU H H 17 8.662 8.662 8.949 -0.287 18412 5695 1 14 . 1 1 18 18 GLU N N 18 118.968 118.968 118.188 0.780 18412 5696 1 14 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.960 -0.013 18412 5697 1 14 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.711 0.275 18412 5698 1 14 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.155 -0.007 18412 5699 1 14 . 1 1 18 18 GLU H H 18 8.374 8.374 8.514 -0.140 18412 5700 1 14 . 1 1 19 19 ASP N N 19 121.542 121.542 121.010 0.532 18412 5701 1 14 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.334 -0.191 18412 5702 1 14 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.257 -0.666 18412 5703 1 14 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.371 0.941 18412 5704 1 14 . 1 1 19 19 ASP H H 19 7.857 7.857 8.644 -0.787 18412 5705 1 14 . 1 1 20 20 LEU N N 20 120.904 120.904 120.855 0.049 18412 5706 1 14 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.813 -0.396 18412 5707 1 14 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.218 -1.304 18412 5708 1 14 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.724 -0.622 18412 5709 1 14 . 1 1 20 20 LEU H H 20 8.412 8.412 8.224 0.188 18412 5710 1 14 . 1 1 21 21 GLU N N 21 117.187 117.187 118.634 -1.447 18412 5711 1 14 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.726 0.072 18412 5712 1 14 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.599 -0.328 18412 5713 1 14 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.099 -0.182 18412 5714 1 14 . 1 1 21 21 GLU H H 21 7.462 7.462 7.849 -0.387 18412 5715 1 14 . 1 1 22 22 GLN N N 22 118.617 118.617 120.398 -1.781 18412 5716 1 14 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.032 -0.013 18412 5717 1 14 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.905 -0.318 18412 5718 1 14 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.585 -0.350 18412 5719 1 14 . 1 1 22 22 GLN H H 22 7.135 7.135 7.780 -0.645 18412 5720 1 14 . 1 1 23 23 LEU N N 23 121.325 121.325 120.088 1.237 18412 5721 1 14 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.844 -0.139 18412 5722 1 14 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.746 0.039 18412 5723 1 14 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.363 -1.743 18412 5724 1 14 . 1 1 23 23 LEU H H 23 7.833 7.833 7.860 -0.027 18412 5725 1 14 . 1 1 24 24 LYS N N 24 116.045 116.045 118.863 -2.818 18412 5726 1 14 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.610 0.040 18412 5727 1 14 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.419 1.125 18412 5728 1 14 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.853 -0.041 18412 5729 1 14 . 1 1 24 24 LYS H H 24 8.307 8.307 8.327 -0.020 18412 5730 1 14 . 1 1 25 25 SER N N 25 116.071 116.071 115.712 0.359 18412 5731 1 14 . 1 1 25 25 SER HA H 25 4.111 4.111 4.111 -0.000 18412 5732 1 14 . 1 1 25 25 SER CA C 25 61.557 61.557 61.436 0.121 18412 5733 1 14 . 1 1 25 25 SER CB C 25 62.565 62.565 63.042 -0.477 18412 5734 1 14 . 1 1 25 25 SER H H 25 7.781 7.781 7.888 -0.107 18412 5735 1 14 . 1 1 26 26 ALA N N 26 123.448 123.448 124.627 -1.179 18412 5736 1 14 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.002 0.173 18412 5737 1 14 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.703 -0.454 18412 5738 1 14 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.316 0.397 18412 5739 1 14 . 1 1 26 26 ALA H H 26 7.735 7.735 7.941 -0.206 18412 5740 1 14 . 1 1 27 27 CYS N N 27 113.480 113.480 114.968 -1.488 18412 5741 1 14 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.302 0.329 18412 5742 1 14 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.277 -0.896 18412 5743 1 14 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.577 2.057 18412 5744 1 14 . 1 1 27 27 CYS H H 27 7.390 7.390 8.100 -0.710 18412 5745 1 14 . 1 1 28 28 LYS N N 28 118.354 118.354 120.311 -1.957 18412 5746 1 14 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.005 -0.060 18412 5747 1 14 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.099 -0.679 18412 5748 1 14 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.917 -0.370 18412 5749 1 14 . 1 1 28 28 LYS H H 28 7.634 7.634 7.407 0.227 18412 5750 1 14 . 1 1 29 29 GLU N N 29 118.875 118.875 117.142 1.733 18412 5751 1 14 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.189 -0.032 18412 5752 1 14 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.438 -0.197 18412 5753 1 14 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.693 -0.829 18412 5754 1 14 . 1 1 29 29 GLU H H 29 8.552 8.552 8.518 0.034 18412 5755 1 14 . 1 1 30 30 ASP N N 30 117.610 117.610 118.049 -0.439 18412 5756 1 14 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.741 -0.153 18412 5757 1 14 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.458 0.425 18412 5758 1 14 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.852 -0.325 18412 5759 1 14 . 1 1 30 30 ASP H H 30 7.962 7.962 7.534 0.428 18412 5760 1 14 . 1 1 31 31 ILE N N 31 116.930 116.930 122.039 -5.109 18412 5761 1 14 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.715 -0.348 18412 5762 1 14 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.199 0.834 18412 5763 1 14 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.963 -1.194 18412 5764 1 14 . 1 1 31 31 ILE H H 31 7.317 7.317 8.211 -0.894 18412 5765 1 14 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.586 -0.125 18412 5766 1 14 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.979 -0.134 18412 5767 1 14 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.406 0.108 18412 5768 1 14 . 1 1 33 33 SER N N 33 119.808 119.808 119.579 0.229 18412 5769 1 14 . 1 1 33 33 SER HA H 33 4.141 4.141 3.929 0.212 18412 5770 1 14 . 1 1 33 33 SER CA C 33 61.125 61.125 62.576 -1.451 18412 5771 1 14 . 1 1 33 33 SER CB C 33 63.000 63.000 63.203 -0.203 18412 5772 1 14 . 1 1 33 33 SER H H 33 8.778 8.778 8.906 -0.128 18412 5773 1 14 . 1 1 34 34 GLU N N 34 120.906 120.906 119.754 1.152 18412 5774 1 14 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.188 0.017 18412 5775 1 14 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.374 -0.674 18412 5776 1 14 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.434 -0.723 18412 5777 1 14 . 1 1 34 34 GLU H H 34 9.336 9.336 8.651 0.685 18412 5778 1 14 . 1 1 35 35 LYS N N 35 117.698 117.698 117.599 0.099 18412 5779 1 14 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.993 0.354 18412 5780 1 14 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.632 -2.172 18412 5781 1 14 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.594 0.663 18412 5782 1 14 . 1 1 35 35 LYS H H 35 7.659 7.659 7.798 -0.139 18412 5783 1 14 . 1 1 36 36 SER N N 36 114.472 114.472 115.809 -1.337 18412 5784 1 14 . 1 1 36 36 SER HA H 36 3.652 3.652 3.974 -0.322 18412 5785 1 14 . 1 1 36 36 SER CA C 36 61.450 61.450 61.667 -0.217 18412 5786 1 14 . 1 1 36 36 SER CB C 36 62.820 62.820 62.866 -0.046 18412 5787 1 14 . 1 1 36 36 SER H H 36 7.732 7.732 8.468 -0.736 18412 5788 1 14 . 1 1 37 37 GLU N N 37 118.258 118.258 119.255 -0.997 18412 5789 1 14 . 1 1 37 37 GLU HA H 37 3.970 3.970 3.976 -0.006 18412 5790 1 14 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.986 -0.873 18412 5791 1 14 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.488 0.056 18412 5792 1 14 . 1 1 37 37 GLU H H 37 8.187 8.187 7.747 0.440 18412 5793 1 14 . 1 1 38 38 GLU N N 38 115.652 115.652 116.481 -0.829 18412 5794 1 14 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.179 0.017 18412 5795 1 14 . 1 1 38 38 GLU CA C 38 56.494 56.494 57.385 -0.891 18412 5796 1 14 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.762 0.340 18412 5797 1 14 . 1 1 38 38 GLU H H 38 7.472 7.472 7.524 -0.052 18412 5798 1 14 . 1 1 39 39 ILE N N 39 121.367 121.367 122.756 -1.389 18412 5799 1 14 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.123 -0.138 18412 5800 1 14 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.156 -0.237 18412 5801 1 14 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.508 1.896 18412 5802 1 14 . 1 1 39 39 ILE H H 39 7.504 7.504 7.488 0.016 18412 5803 1 14 . 1 1 40 40 THR N N 40 115.102 115.102 117.785 -2.683 18412 5804 1 14 . 1 1 40 40 THR HA H 40 4.459 4.459 4.333 0.126 18412 5805 1 14 . 1 1 40 40 THR CA C 40 61.169 61.169 62.718 -1.549 18412 5806 1 14 . 1 1 40 40 THR CB C 40 69.913 69.913 68.773 1.140 18412 5807 1 14 . 1 1 40 40 THR H H 40 8.173 8.173 8.354 -0.181 18412 5808 1 14 . 1 1 41 41 THR N N 41 108.664 108.664 113.077 -4.413 18412 5809 1 14 . 1 1 41 41 THR HA H 41 4.602 4.602 4.532 0.070 18412 5810 1 14 . 1 1 41 41 THR CA C 41 59.116 59.116 60.481 -1.365 18412 5811 1 14 . 1 1 41 41 THR CB C 41 73.442 73.442 70.529 2.913 18412 5812 1 14 . 1 1 41 41 THR H H 41 7.104 7.104 7.334 -0.230 18412 5813 1 14 . 1 1 42 42 GLY N N 42 109.200 109.200 111.979 -2.779 18412 5814 1 14 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.088 0.423 18412 5815 1 14 . 1 1 42 42 GLY H H 42 9.196 9.196 9.023 0.173 18412 5816 1 14 . 1 1 43 43 SER N N 43 114.564 114.564 117.411 -2.847 18412 5817 1 14 . 1 1 43 43 SER HA H 43 4.360 4.360 4.379 -0.019 18412 5818 1 14 . 1 1 43 43 SER CA C 43 61.523 61.523 61.798 -0.275 18412 5819 1 14 . 1 1 43 43 SER CB C 43 62.448 62.448 63.160 -0.712 18412 5820 1 14 . 1 1 43 43 SER H H 43 8.208 8.208 8.358 -0.150 18412 5821 1 14 . 1 1 44 44 ALA N N 44 123.757 123.757 124.024 -0.267 18412 5822 1 14 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.212 0.069 18412 5823 1 14 . 1 1 44 44 ALA CA C 44 54.526 54.526 55.074 -0.548 18412 5824 1 14 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.164 1.169 18412 5825 1 14 . 1 1 44 44 ALA H H 44 7.964 7.964 8.287 -0.323 18412 5826 1 14 . 1 1 45 45 TRP N N 45 122.904 122.904 120.532 2.372 18412 5827 1 14 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.422 -0.194 18412 5828 1 14 . 1 1 45 45 TRP CA C 45 61.630 61.630 59.906 1.724 18412 5829 1 14 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.202 -1.678 18412 5830 1 14 . 1 1 45 45 TRP H H 45 8.001 8.001 7.580 0.421 18412 5831 1 14 . 1 1 46 46 PHE N N 46 116.699 116.699 118.187 -1.488 18412 5832 1 14 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.610 0.276 18412 5833 1 14 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.986 -0.294 18412 5834 1 14 . 1 1 46 46 PHE CB C 46 37.845 37.845 37.975 -0.130 18412 5835 1 14 . 1 1 46 46 PHE H H 46 8.250 8.250 7.927 0.323 18412 5836 1 14 . 1 1 47 47 SER N N 47 113.740 113.740 115.599 -1.859 18412 5837 1 14 . 1 1 47 47 SER HA H 47 4.419 4.419 4.423 -0.004 18412 5838 1 14 . 1 1 47 47 SER CA C 47 61.723 61.723 61.469 0.254 18412 5839 1 14 . 1 1 47 47 SER CB C 47 62.769 62.769 62.496 0.273 18412 5840 1 14 . 1 1 47 47 SER H H 47 8.331 8.331 8.656 -0.325 18412 5841 1 14 . 1 1 48 48 PHE N N 48 124.310 124.310 124.215 0.095 18412 5842 1 14 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.221 0.031 18412 5843 1 14 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.910 0.877 18412 5844 1 14 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.802 0.129 18412 5845 1 14 . 1 1 48 48 PHE H H 48 8.175 8.175 7.902 0.273 18412 5846 1 14 . 1 1 49 49 LEU N N 49 120.565 120.565 120.461 0.104 18412 5847 1 14 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.247 0.275 18412 5848 1 14 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.003 0.230 18412 5849 1 14 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.316 0.209 18412 5850 1 14 . 1 1 49 49 LEU H H 49 8.212 8.212 8.454 -0.242 18412 5851 1 14 . 1 1 50 50 GLU N N 50 120.639 120.639 117.371 3.268 18412 5852 1 14 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.208 0.368 18412 5853 1 14 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.775 0.401 18412 5854 1 14 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.469 1.155 18412 5855 1 14 . 1 1 50 50 GLU H H 50 8.702 8.702 8.649 0.053 18412 5856 1 14 . 1 1 51 51 SER N N 51 116.044 116.044 113.257 2.787 18412 5857 1 14 . 1 1 51 51 SER HA H 51 4.178 4.178 4.307 -0.129 18412 5858 1 14 . 1 1 51 51 SER CA C 51 60.575 60.575 60.477 0.098 18412 5859 1 14 . 1 1 51 51 SER CB C 51 62.881 62.881 63.635 -0.754 18412 5860 1 14 . 1 1 51 51 SER H H 51 8.272 8.272 7.596 0.676 18412 5861 1 14 . 1 1 52 52 HIS N N 52 118.134 118.134 118.242 -0.108 18412 5862 1 14 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.582 -0.178 18412 5863 1 14 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.828 2.589 18412 5864 1 14 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.109 -2.689 18412 5865 1 14 . 1 1 52 52 HIS H H 52 7.217 7.217 7.513 -0.296 18412 5866 1 14 . 1 1 53 53 ASN N N 53 113.597 113.597 118.661 -5.064 18412 5867 1 14 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.703 -0.193 18412 5868 1 14 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.539 1.266 18412 5869 1 14 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.909 -1.146 18412 5870 1 14 . 1 1 53 53 ASN H H 53 7.893 7.893 8.744 -0.851 18412 5871 1 14 . 1 1 54 54 LYS N N 54 113.123 113.123 118.324 -5.201 18412 5872 1 14 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.279 -0.044 18412 5873 1 14 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.316 -1.053 18412 5874 1 14 . 1 1 54 54 LYS CB C 54 33.545 33.545 32.957 0.588 18412 5875 1 14 . 1 1 54 54 LYS H H 54 8.082 8.082 7.353 0.729 18412 5876 1 14 . 1 1 55 55 LEU N N 55 120.215 120.215 120.302 -0.087 18412 5877 1 14 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.540 0.115 18412 5878 1 14 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.952 0.315 18412 5879 1 14 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.582 2.795 18412 5880 1 14 . 1 1 55 55 LEU H H 55 6.882 6.882 7.332 -0.450 18412 5881 1 14 . 1 1 56 56 ASP N N 56 120.831 120.831 127.650 -6.819 18412 5882 1 14 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.683 -0.291 18412 5883 1 14 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.456 0.210 18412 5884 1 14 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.360 -0.045 18412 5885 1 14 . 1 1 56 56 ASP H H 56 8.078 8.078 8.473 -0.395 18412 5886 1 14 . 1 1 57 57 LYS N N 57 115.203 115.203 118.892 -3.689 18412 5887 1 14 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.192 -0.827 18412 5888 1 14 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.288 -0.636 18412 5889 1 14 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.079 -0.761 18412 5890 1 14 . 1 1 57 57 LYS H H 57 7.958 7.958 8.614 -0.656 18412 5891 1 14 . 1 1 58 58 ASP N N 58 118.074 118.074 117.171 0.903 18412 5892 1 14 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.414 0.543 18412 5893 1 14 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.903 -0.620 18412 5894 1 14 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.865 2.194 18412 5895 1 14 . 1 1 58 58 ASP H H 58 8.336 8.336 8.196 0.140 18412 5896 1 14 . 1 1 59 59 ASN N N 59 119.835 119.835 119.050 0.785 18412 5897 1 14 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.752 0.208 18412 5898 1 14 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.524 -0.795 18412 5899 1 14 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.794 0.083 18412 5900 1 14 . 1 1 59 59 ASN H H 59 7.850 7.850 8.145 -0.295 18412 5901 1 14 . 1 1 60 60 LEU N N 60 125.541 125.541 121.836 3.705 18412 5902 1 14 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.013 -0.453 18412 5903 1 14 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.670 -2.422 18412 5904 1 14 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.433 -0.243 18412 5905 1 14 . 1 1 60 60 LEU H H 60 8.995 8.995 8.241 0.754 18412 5906 1 14 . 1 1 61 61 SER N N 61 114.344 114.344 117.210 -2.866 18412 5907 1 14 . 1 1 61 61 SER HA H 61 4.159 4.159 4.310 -0.151 18412 5908 1 14 . 1 1 61 61 SER CA C 61 62.002 62.002 61.480 0.522 18412 5909 1 14 . 1 1 61 61 SER CB C 61 62.987 62.987 62.774 0.213 18412 5910 1 14 . 1 1 61 61 SER H H 61 7.880 7.880 8.304 -0.424 18412 5911 1 14 . 1 1 62 62 TYR N N 62 125.087 125.087 121.562 3.525 18412 5912 1 14 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.239 0.060 18412 5913 1 14 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.394 0.811 18412 5914 1 14 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.490 0.435 18412 5915 1 14 . 1 1 62 62 TYR H H 62 8.765 8.765 8.354 0.411 18412 5916 1 14 . 1 1 63 63 ILE N N 63 111.338 111.338 116.216 -4.878 18412 5917 1 14 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.781 -0.139 18412 5918 1 14 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.150 0.968 18412 5919 1 14 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.143 -0.760 18412 5920 1 14 . 1 1 63 63 ILE H H 63 7.631 7.631 7.829 -0.198 18412 5921 1 14 . 1 1 64 64 GLU N N 64 121.049 121.049 122.155 -1.106 18412 5922 1 14 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.105 -0.380 18412 5923 1 14 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.193 0.702 18412 5924 1 14 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.642 0.596 18412 5925 1 14 . 1 1 64 64 GLU H H 64 7.987 7.987 8.498 -0.511 18412 5926 1 14 . 1 1 65 65 HIS N N 65 117.657 117.657 119.174 -1.517 18412 5927 1 14 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.289 0.149 18412 5928 1 14 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.451 -0.429 18412 5929 1 14 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.567 -0.980 18412 5930 1 14 . 1 1 65 65 HIS H H 65 7.513 7.513 7.956 -0.443 18412 5931 1 14 . 1 1 66 66 ILE N N 66 118.281 118.281 118.952 -0.671 18412 5932 1 14 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.411 0.016 18412 5933 1 14 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.552 -1.814 18412 5934 1 14 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.221 -1.135 18412 5935 1 14 . 1 1 66 66 ILE H H 66 7.924 7.924 7.408 0.516 18412 5936 1 14 . 1 1 67 67 PHE N N 67 121.084 121.084 116.773 4.311 18412 5937 1 14 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.170 0.296 18412 5938 1 14 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.253 -3.571 18412 5939 1 14 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.748 -1.070 18412 5940 1 14 . 1 1 67 67 PHE H H 67 8.737 8.737 7.943 0.794 18412 5941 1 14 . 1 1 68 68 GLU N N 68 120.739 120.739 119.854 0.885 18412 5942 1 14 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.096 -0.010 18412 5943 1 14 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.030 1.070 18412 5944 1 14 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.989 -0.254 18412 5945 1 14 . 1 1 68 68 GLU H H 68 8.228 8.228 7.400 0.828 18412 5946 1 14 . 1 1 69 69 ILE N N 69 117.535 117.535 114.741 2.794 18412 5947 1 14 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.927 0.113 18412 5948 1 14 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.125 1.106 18412 5949 1 14 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.036 -0.409 18412 5950 1 14 . 1 1 69 69 ILE H H 69 8.393 8.393 7.891 0.502 18412 5951 1 14 . 1 1 70 70 SER N N 70 115.058 115.058 116.290 -1.232 18412 5952 1 14 . 1 1 70 70 SER HA H 70 4.419 4.419 4.327 0.092 18412 5953 1 14 . 1 1 70 70 SER CA C 70 58.502 58.502 57.930 0.572 18412 5954 1 14 . 1 1 70 70 SER CB C 70 63.029 63.029 64.329 -1.300 18412 5955 1 14 . 1 1 70 70 SER H H 70 7.857 7.857 7.836 0.021 18412 5956 1 14 . 1 1 71 71 ARG N N 71 115.621 115.621 126.170 -10.549 18412 5957 1 14 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.296 -0.394 18412 5958 1 14 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.790 0.662 18412 5959 1 14 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.698 -1.348 18412 5960 1 14 . 1 1 71 71 ARG H H 71 7.753 7.753 8.652 -0.899 18412 5961 1 14 . 1 1 72 72 ARG N N 72 115.226 115.226 119.401 -4.175 18412 5962 1 14 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.919 0.155 18412 5963 1 14 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.394 -3.781 18412 5964 1 14 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.428 -1.866 18412 5965 1 14 . 1 1 72 72 ARG H H 72 8.006 8.006 8.273 -0.267 18412 5966 1 14 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.471 -0.134 18412 5967 1 14 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.862 -0.164 18412 5968 1 14 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.927 -0.598 18412 5969 1 14 . 1 1 74 74 ASP N N 74 118.600 118.600 117.807 0.793 18412 5970 1 14 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.435 -0.255 18412 5971 1 14 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.719 -1.730 18412 5972 1 14 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.207 -2.172 18412 5973 1 14 . 1 1 74 74 ASP H H 74 9.152 9.152 8.698 0.454 18412 5974 1 14 . 1 1 75 75 LEU N N 75 120.762 120.762 119.894 0.868 18412 5975 1 14 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.941 -0.034 18412 5976 1 14 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.174 -0.812 18412 5977 1 14 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.231 -2.592 18412 5978 1 14 . 1 1 75 75 LEU H H 75 7.044 7.044 7.447 -0.403 18412 5979 1 14 . 1 1 76 76 LEU N N 76 118.917 118.917 120.639 -1.722 18412 5980 1 14 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.988 0.130 18412 5981 1 14 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.845 0.008 18412 5982 1 14 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.410 1.196 18412 5983 1 14 . 1 1 76 76 LEU H H 76 7.850 7.850 7.579 0.271 18412 5984 1 14 . 1 1 77 77 THR N N 77 114.574 114.574 115.863 -1.289 18412 5985 1 14 . 1 1 77 77 THR HA H 77 3.830 3.830 3.912 -0.082 18412 5986 1 14 . 1 1 77 77 THR CA C 77 66.882 66.882 67.105 -0.222 18412 5987 1 14 . 1 1 77 77 THR CB C 77 68.991 68.991 68.377 0.614 18412 5988 1 14 . 1 1 77 77 THR H H 77 8.287 8.287 8.183 0.104 18412 5989 1 14 . 1 1 78 78 MET N N 78 118.873 118.873 119.658 -0.785 18412 5990 1 14 . 1 1 78 78 MET HA H 78 4.155 4.155 4.189 -0.034 18412 5991 1 14 . 1 1 78 78 MET CA C 78 59.838 59.838 57.579 2.259 18412 5992 1 14 . 1 1 78 78 MET CB C 78 32.697 32.697 31.391 1.306 18412 5993 1 14 . 1 1 78 78 MET H H 78 7.032 7.032 7.577 -0.545 18412 5994 1 14 . 1 1 79 79 VAL N N 79 120.046 120.046 120.176 -0.130 18412 5995 1 14 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.777 -0.056 18412 5996 1 14 . 1 1 79 79 VAL CA C 79 66.981 66.981 67.471 -0.490 18412 5997 1 14 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.573 0.459 18412 5998 1 14 . 1 1 79 79 VAL H H 79 7.633 7.633 7.724 -0.091 18412 5999 1 14 . 1 1 80 80 VAL N N 80 121.510 121.510 121.440 0.070 18412 6000 1 14 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.622 -0.081 18412 6001 1 14 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.173 -0.068 18412 6002 1 14 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.462 0.385 18412 6003 1 14 . 1 1 80 80 VAL H H 80 8.601 8.601 8.726 -0.125 18412 6004 1 14 . 1 1 81 81 ASP N N 81 121.760 121.760 120.268 1.492 18412 6005 1 14 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.333 0.020 18412 6006 1 14 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.237 0.439 18412 6007 1 14 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.660 -0.089 18412 6008 1 14 . 1 1 81 81 ASP H H 81 8.677 8.677 8.649 0.028 18412 6009 1 14 . 1 1 82 82 TYR N N 82 121.025 121.025 121.262 -0.237 18412 6010 1 14 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.064 0.123 18412 6011 1 14 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.321 0.182 18412 6012 1 14 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.492 0.131 18412 6013 1 14 . 1 1 82 82 TYR H H 82 7.608 7.608 8.118 -0.510 18412 6014 1 14 . 1 1 83 83 ARG N N 83 119.379 119.379 118.872 0.507 18412 6015 1 14 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.668 0.003 18412 6016 1 14 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.598 0.279 18412 6017 1 14 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.706 0.672 18412 6018 1 14 . 1 1 83 83 ARG H H 83 8.596 8.596 8.641 -0.045 18412 6019 1 14 . 1 1 84 84 THR N N 84 113.330 113.330 116.225 -2.895 18412 6020 1 14 . 1 1 84 84 THR HA H 84 3.946 3.946 3.980 -0.034 18412 6021 1 14 . 1 1 84 84 THR CA C 84 65.316 65.316 66.970 -1.654 18412 6022 1 14 . 1 1 84 84 THR CB C 84 69.273 69.273 68.738 0.535 18412 6023 1 14 . 1 1 84 84 THR H H 84 8.305 8.305 8.040 0.265 18412 6024 1 14 . 1 1 85 85 ARG N N 85 121.457 121.457 122.406 -0.949 18412 6025 1 14 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.076 -0.019 18412 6026 1 14 . 1 1 85 85 ARG CA C 85 58.905 58.905 58.854 0.051 18412 6027 1 14 . 1 1 85 85 ARG CB C 85 30.805 30.805 28.967 1.838 18412 6028 1 14 . 1 1 85 85 ARG H H 85 7.949 7.949 8.380 -0.431 18412 6029 1 14 . 1 1 86 86 VAL N N 86 117.232 117.232 120.005 -2.773 18412 6030 1 14 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.659 0.138 18412 6031 1 14 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.916 -2.652 18412 6032 1 14 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.488 0.219 18412 6033 1 14 . 1 1 86 86 VAL H H 86 7.962 7.962 7.809 0.153 18412 6034 1 14 . 1 1 87 87 LEU N N 87 120.870 120.870 120.760 0.110 18412 6035 1 14 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.907 0.251 18412 6036 1 14 . 1 1 87 87 LEU CA C 87 56.056 56.056 57.874 -1.818 18412 6037 1 14 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.566 0.167 18412 6038 1 14 . 1 1 87 87 LEU H H 87 7.463 7.463 7.313 0.150 18412 6039 1 14 . 1 1 88 88 LYS N N 88 118.925 118.925 119.563 -0.638 18412 6040 1 14 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.151 0.017 18412 6041 1 14 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.292 -1.603 18412 6042 1 14 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.623 -0.501 18412 6043 1 14 . 1 1 88 88 LYS H H 88 7.602 7.602 8.040 -0.438 18412 6044 1 14 . 1 1 89 89 ILE N N 89 120.845 120.845 119.378 1.467 18412 6045 1 14 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.869 0.180 18412 6046 1 14 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.881 -1.014 18412 6047 1 14 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.515 0.145 18412 6048 1 14 . 1 1 89 89 ILE H H 89 7.882 7.882 7.838 0.044 18412 6049 1 15 . 1 1 2 2 ALA N N 2 124.384 124.384 124.945 -0.561 18412 6050 1 15 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.114 0.085 18412 6051 1 15 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.296 -0.644 18412 6052 1 15 . 1 1 2 2 ALA CB C 2 18.385 18.385 18.564 -0.179 18412 6053 1 15 . 1 1 2 2 ALA H H 2 8.326 8.326 8.830 -0.504 18412 6054 1 15 . 1 1 3 3 GLU N N 3 118.800 118.800 118.261 0.539 18412 6055 1 15 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.104 0.094 18412 6056 1 15 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.655 -0.251 18412 6057 1 15 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.919 0.637 18412 6058 1 15 . 1 1 3 3 GLU H H 3 8.411 8.411 9.111 -0.700 18412 6059 1 15 . 1 1 4 4 TYR N N 4 123.838 123.838 120.530 3.308 18412 6060 1 15 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.624 0.380 18412 6061 1 15 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.182 0.450 18412 6062 1 15 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.711 0.692 18412 6063 1 15 . 1 1 4 4 TYR H H 4 8.448 8.448 8.312 0.136 18412 6064 1 15 . 1 1 5 5 GLY N N 5 105.816 105.816 106.229 -0.413 18412 6065 1 15 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.411 -0.269 18412 6066 1 15 . 1 1 5 5 GLY H H 5 8.250 8.250 8.353 -0.103 18412 6067 1 15 . 1 1 6 6 THR N N 6 119.523 119.523 119.306 0.217 18412 6068 1 15 . 1 1 6 6 THR HA H 6 3.802 3.802 3.863 -0.061 18412 6069 1 15 . 1 1 6 6 THR CA C 6 66.449 66.449 65.751 0.698 18412 6070 1 15 . 1 1 6 6 THR CB C 6 68.391 68.391 68.923 -0.532 18412 6071 1 15 . 1 1 6 6 THR H H 6 7.868 7.868 7.838 0.030 18412 6072 1 15 . 1 1 7 7 LEU N N 7 123.502 123.502 123.161 0.341 18412 6073 1 15 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.990 0.249 18412 6074 1 15 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.941 0.284 18412 6075 1 15 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.834 -1.081 18412 6076 1 15 . 1 1 7 7 LEU H H 7 7.594 7.594 8.152 -0.558 18412 6077 1 15 . 1 1 8 8 LEU N N 8 115.222 115.222 117.675 -2.453 18412 6078 1 15 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.340 -0.067 18412 6079 1 15 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.120 0.014 18412 6080 1 15 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.952 0.184 18412 6081 1 15 . 1 1 8 8 LEU H H 8 7.654 7.654 7.862 -0.208 18412 6082 1 15 . 1 1 9 9 GLN N N 9 120.743 120.743 119.014 1.729 18412 6083 1 15 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.953 -0.074 18412 6084 1 15 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.161 -0.385 18412 6085 1 15 . 1 1 9 9 GLN CB C 9 28.928 28.928 27.991 0.937 18412 6086 1 15 . 1 1 9 9 GLN H H 9 7.688 7.688 7.521 0.167 18412 6087 1 15 . 1 1 10 10 ASP N N 10 122.554 122.554 120.846 1.708 18412 6088 1 15 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.331 0.002 18412 6089 1 15 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.370 0.307 18412 6090 1 15 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.295 -0.358 18412 6091 1 15 . 1 1 10 10 ASP H H 10 8.656 8.656 8.147 0.509 18412 6092 1 15 . 1 1 11 11 LEU N N 11 119.408 119.408 116.962 2.446 18412 6093 1 15 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.196 -0.310 18412 6094 1 15 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.135 0.350 18412 6095 1 15 . 1 1 11 11 LEU CB C 11 43.253 43.253 40.821 2.432 18412 6096 1 15 . 1 1 11 11 LEU H H 11 8.805 8.805 7.590 1.215 18412 6097 1 15 . 1 1 12 12 THR N N 12 113.945 113.945 115.652 -1.707 18412 6098 1 15 . 1 1 12 12 THR HA H 12 3.875 3.875 4.095 -0.220 18412 6099 1 15 . 1 1 12 12 THR CA C 12 67.829 67.829 66.031 1.798 18412 6100 1 15 . 1 1 12 12 THR CB C 12 68.521 68.521 68.163 0.358 18412 6101 1 15 . 1 1 12 12 THR H H 12 8.305 8.305 8.023 0.282 18412 6102 1 15 . 1 1 13 13 ASN N N 13 119.138 119.138 118.712 0.426 18412 6103 1 15 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.615 -0.025 18412 6104 1 15 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.602 -0.952 18412 6105 1 15 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.309 -0.046 18412 6106 1 15 . 1 1 13 13 ASN H H 13 8.180 8.180 8.581 -0.401 18412 6107 1 15 . 1 1 14 14 ASN N N 14 117.905 117.905 116.648 1.257 18412 6108 1 15 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.712 0.114 18412 6109 1 15 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.464 -0.106 18412 6110 1 15 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.719 1.739 18412 6111 1 15 . 1 1 14 14 ASN H H 14 7.778 7.778 7.539 0.239 18412 6112 1 15 . 1 1 15 15 ILE N N 15 120.690 120.690 119.935 0.755 18412 6113 1 15 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.109 0.602 18412 6114 1 15 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.718 0.160 18412 6115 1 15 . 1 1 15 15 ILE CB C 15 41.344 41.344 37.253 4.091 18412 6116 1 15 . 1 1 15 15 ILE H H 15 7.234 7.234 7.455 -0.221 18412 6117 1 15 . 1 1 16 16 THR N N 16 120.066 120.066 118.150 1.916 18412 6118 1 15 . 1 1 16 16 THR HA H 16 4.536 4.536 4.569 -0.034 18412 6119 1 15 . 1 1 16 16 THR CA C 16 60.804 60.804 60.024 0.780 18412 6120 1 15 . 1 1 16 16 THR CB C 16 71.263 71.263 71.402 -0.139 18412 6121 1 15 . 1 1 16 16 THR H H 16 9.188 9.188 8.321 0.867 18412 6122 1 15 . 1 1 17 17 LEU N N 17 121.043 121.043 124.391 -3.348 18412 6123 1 15 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.892 0.104 18412 6124 1 15 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.736 -0.043 18412 6125 1 15 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.814 -0.487 18412 6126 1 15 . 1 1 17 17 LEU H H 17 8.662 8.662 9.000 -0.338 18412 6127 1 15 . 1 1 18 18 GLU N N 18 118.968 118.968 118.404 0.564 18412 6128 1 15 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.942 0.005 18412 6129 1 15 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.769 0.217 18412 6130 1 15 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.113 0.035 18412 6131 1 15 . 1 1 18 18 GLU H H 18 8.374 8.374 8.576 -0.202 18412 6132 1 15 . 1 1 19 19 ASP N N 19 121.542 121.542 121.115 0.427 18412 6133 1 15 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.332 -0.189 18412 6134 1 15 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.246 -0.655 18412 6135 1 15 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.378 0.934 18412 6136 1 15 . 1 1 19 19 ASP H H 19 7.857 7.857 8.563 -0.706 18412 6137 1 15 . 1 1 20 20 LEU N N 20 120.904 120.904 120.865 0.039 18412 6138 1 15 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.776 -0.359 18412 6139 1 15 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.032 -1.118 18412 6140 1 15 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.631 -0.529 18412 6141 1 15 . 1 1 20 20 LEU H H 20 8.412 8.412 8.195 0.217 18412 6142 1 15 . 1 1 21 21 GLU N N 21 117.187 117.187 118.487 -1.300 18412 6143 1 15 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.760 0.038 18412 6144 1 15 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.699 -0.428 18412 6145 1 15 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.860 0.057 18412 6146 1 15 . 1 1 21 21 GLU H H 21 7.462 7.462 8.109 -0.647 18412 6147 1 15 . 1 1 22 22 GLN N N 22 118.617 118.617 120.205 -1.588 18412 6148 1 15 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.044 -0.025 18412 6149 1 15 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.788 -0.201 18412 6150 1 15 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.558 -0.323 18412 6151 1 15 . 1 1 22 22 GLN H H 22 7.135 7.135 8.035 -0.900 18412 6152 1 15 . 1 1 23 23 LEU N N 23 121.325 121.325 120.653 0.672 18412 6153 1 15 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.906 -0.201 18412 6154 1 15 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.341 0.444 18412 6155 1 15 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.234 -1.614 18412 6156 1 15 . 1 1 23 23 LEU H H 23 7.833 7.833 8.061 -0.228 18412 6157 1 15 . 1 1 24 24 LYS N N 24 116.045 116.045 118.800 -2.755 18412 6158 1 15 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.700 -0.050 18412 6159 1 15 . 1 1 24 24 LYS CA C 24 60.545 60.545 58.586 1.959 18412 6160 1 15 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.584 0.228 18412 6161 1 15 . 1 1 24 24 LYS H H 24 8.307 8.307 8.231 0.076 18412 6162 1 15 . 1 1 25 25 SER N N 25 116.071 116.071 115.030 1.041 18412 6163 1 15 . 1 1 25 25 SER HA H 25 4.111 4.111 4.165 -0.054 18412 6164 1 15 . 1 1 25 25 SER CA C 25 61.557 61.557 61.375 0.182 18412 6165 1 15 . 1 1 25 25 SER CB C 25 62.565 62.565 62.808 -0.243 18412 6166 1 15 . 1 1 25 25 SER H H 25 7.781 7.781 7.954 -0.173 18412 6167 1 15 . 1 1 26 26 ALA N N 26 123.448 123.448 124.497 -1.049 18412 6168 1 15 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.103 0.072 18412 6169 1 15 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.878 -0.629 18412 6170 1 15 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.373 0.340 18412 6171 1 15 . 1 1 26 26 ALA H H 26 7.735 7.735 8.093 -0.358 18412 6172 1 15 . 1 1 27 27 CYS N N 27 113.480 113.480 115.084 -1.604 18412 6173 1 15 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.322 0.309 18412 6174 1 15 . 1 1 27 27 CYS CA C 27 59.381 59.381 59.362 0.019 18412 6175 1 15 . 1 1 27 27 CYS CB C 27 28.634 28.634 25.883 2.751 18412 6176 1 15 . 1 1 27 27 CYS H H 27 7.390 7.390 8.309 -0.919 18412 6177 1 15 . 1 1 28 28 LYS N N 28 118.354 118.354 120.360 -2.006 18412 6178 1 15 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.011 -0.066 18412 6179 1 15 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.531 -1.111 18412 6180 1 15 . 1 1 28 28 LYS CB C 28 31.547 31.547 32.133 -0.586 18412 6181 1 15 . 1 1 28 28 LYS H H 28 7.634 7.634 7.284 0.350 18412 6182 1 15 . 1 1 29 29 GLU N N 29 118.875 118.875 116.734 2.141 18412 6183 1 15 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.216 -0.059 18412 6184 1 15 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.209 0.031 18412 6185 1 15 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.841 -0.977 18412 6186 1 15 . 1 1 29 29 GLU H H 29 8.552 8.552 8.299 0.253 18412 6187 1 15 . 1 1 30 30 ASP N N 30 117.610 117.610 118.297 -0.687 18412 6188 1 15 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.773 -0.185 18412 6189 1 15 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.803 0.080 18412 6190 1 15 . 1 1 30 30 ASP CB C 30 41.527 41.527 42.117 -0.590 18412 6191 1 15 . 1 1 30 30 ASP H H 30 7.962 7.962 8.233 -0.271 18412 6192 1 15 . 1 1 31 31 ILE N N 31 116.930 116.930 121.518 -4.588 18412 6193 1 15 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.726 -0.359 18412 6194 1 15 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.198 0.835 18412 6195 1 15 . 1 1 31 31 ILE CB C 31 38.769 38.769 40.363 -1.594 18412 6196 1 15 . 1 1 31 31 ILE H H 31 7.317 7.317 8.333 -1.016 18412 6197 1 15 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.603 -0.142 18412 6198 1 15 . 1 1 32 32 PRO CA C 32 62.845 62.845 63.038 -0.193 18412 6199 1 15 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.416 0.098 18412 6200 1 15 . 1 1 33 33 SER N N 33 119.808 119.808 119.987 -0.179 18412 6201 1 15 . 1 1 33 33 SER HA H 33 4.141 4.141 3.941 0.200 18412 6202 1 15 . 1 1 33 33 SER CA C 33 61.125 61.125 62.688 -1.562 18412 6203 1 15 . 1 1 33 33 SER CB C 33 63.000 63.000 63.153 -0.153 18412 6204 1 15 . 1 1 33 33 SER H H 33 8.778 8.778 8.931 -0.153 18412 6205 1 15 . 1 1 34 34 GLU N N 34 120.906 120.906 120.350 0.556 18412 6206 1 15 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.065 0.140 18412 6207 1 15 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.180 -0.480 18412 6208 1 15 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.357 -0.645 18412 6209 1 15 . 1 1 34 34 GLU H H 34 9.336 9.336 8.637 0.699 18412 6210 1 15 . 1 1 35 35 LYS N N 35 117.698 117.698 116.762 0.936 18412 6211 1 15 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.052 0.295 18412 6212 1 15 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.460 -2.000 18412 6213 1 15 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.943 0.314 18412 6214 1 15 . 1 1 35 35 LYS H H 35 7.659 7.659 7.731 -0.072 18412 6215 1 15 . 1 1 36 36 SER N N 36 114.472 114.472 115.342 -0.870 18412 6216 1 15 . 1 1 36 36 SER HA H 36 3.652 3.652 4.061 -0.409 18412 6217 1 15 . 1 1 36 36 SER CA C 36 61.450 61.450 61.538 -0.088 18412 6218 1 15 . 1 1 36 36 SER CB C 36 62.820 62.820 62.943 -0.123 18412 6219 1 15 . 1 1 36 36 SER H H 36 7.732 7.732 8.461 -0.729 18412 6220 1 15 . 1 1 37 37 GLU N N 37 118.258 118.258 120.720 -2.462 18412 6221 1 15 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.055 -0.085 18412 6222 1 15 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.803 -0.690 18412 6223 1 15 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.544 -0.000 18412 6224 1 15 . 1 1 37 37 GLU H H 37 8.187 8.187 7.723 0.464 18412 6225 1 15 . 1 1 38 38 GLU N N 38 115.652 115.652 116.829 -1.177 18412 6226 1 15 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.209 -0.013 18412 6227 1 15 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.980 -0.486 18412 6228 1 15 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.566 0.536 18412 6229 1 15 . 1 1 38 38 GLU H H 38 7.472 7.472 7.616 -0.144 18412 6230 1 15 . 1 1 39 39 ILE N N 39 121.367 121.367 122.528 -1.161 18412 6231 1 15 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.082 -0.097 18412 6232 1 15 . 1 1 39 39 ILE CA C 39 60.919 60.919 60.964 -0.045 18412 6233 1 15 . 1 1 39 39 ILE CB C 39 37.404 37.404 36.036 1.368 18412 6234 1 15 . 1 1 39 39 ILE H H 39 7.504 7.504 7.190 0.314 18412 6235 1 15 . 1 1 40 40 THR N N 40 115.102 115.102 116.527 -1.425 18412 6236 1 15 . 1 1 40 40 THR HA H 40 4.459 4.459 4.302 0.157 18412 6237 1 15 . 1 1 40 40 THR CA C 40 61.169 61.169 62.613 -1.444 18412 6238 1 15 . 1 1 40 40 THR CB C 40 69.913 69.913 69.264 0.649 18412 6239 1 15 . 1 1 40 40 THR H H 40 8.173 8.173 7.772 0.401 18412 6240 1 15 . 1 1 41 41 THR N N 41 108.664 108.664 113.606 -4.942 18412 6241 1 15 . 1 1 41 41 THR HA H 41 4.602 4.602 4.464 0.138 18412 6242 1 15 . 1 1 41 41 THR CA C 41 59.116 59.116 60.695 -1.579 18412 6243 1 15 . 1 1 41 41 THR CB C 41 73.442 73.442 70.533 2.909 18412 6244 1 15 . 1 1 41 41 THR H H 41 7.104 7.104 7.368 -0.264 18412 6245 1 15 . 1 1 42 42 GLY N N 42 109.200 109.200 111.948 -2.748 18412 6246 1 15 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.122 0.389 18412 6247 1 15 . 1 1 42 42 GLY H H 42 9.196 9.196 9.032 0.164 18412 6248 1 15 . 1 1 43 43 SER N N 43 114.564 114.564 117.227 -2.663 18412 6249 1 15 . 1 1 43 43 SER HA H 43 4.360 4.360 4.415 -0.055 18412 6250 1 15 . 1 1 43 43 SER CA C 43 61.523 61.523 61.989 -0.466 18412 6251 1 15 . 1 1 43 43 SER CB C 43 62.448 62.448 63.076 -0.628 18412 6252 1 15 . 1 1 43 43 SER H H 43 8.208 8.208 8.379 -0.171 18412 6253 1 15 . 1 1 44 44 ALA N N 44 123.757 123.757 124.488 -0.731 18412 6254 1 15 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.210 0.071 18412 6255 1 15 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.923 -0.397 18412 6256 1 15 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.284 1.049 18412 6257 1 15 . 1 1 44 44 ALA H H 44 7.964 7.964 8.057 -0.093 18412 6258 1 15 . 1 1 45 45 TRP N N 45 122.904 122.904 120.276 2.628 18412 6259 1 15 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.389 -0.161 18412 6260 1 15 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.641 0.989 18412 6261 1 15 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.242 -1.718 18412 6262 1 15 . 1 1 45 45 TRP H H 45 8.001 8.001 7.777 0.224 18412 6263 1 15 . 1 1 46 46 PHE N N 46 116.699 116.699 118.678 -1.979 18412 6264 1 15 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.626 0.260 18412 6265 1 15 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.938 -0.246 18412 6266 1 15 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.018 -0.173 18412 6267 1 15 . 1 1 46 46 PHE H H 46 8.250 8.250 7.868 0.382 18412 6268 1 15 . 1 1 47 47 SER N N 47 113.740 113.740 115.876 -2.136 18412 6269 1 15 . 1 1 47 47 SER HA H 47 4.419 4.419 4.430 -0.011 18412 6270 1 15 . 1 1 47 47 SER CA C 47 61.723 61.723 61.584 0.139 18412 6271 1 15 . 1 1 47 47 SER CB C 47 62.769 62.769 62.553 0.215 18412 6272 1 15 . 1 1 47 47 SER H H 47 8.331 8.331 8.863 -0.531 18412 6273 1 15 . 1 1 48 48 PHE N N 48 124.310 124.310 124.101 0.209 18412 6274 1 15 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.173 0.078 18412 6275 1 15 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.146 0.641 18412 6276 1 15 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.830 0.102 18412 6277 1 15 . 1 1 48 48 PHE H H 48 8.175 8.175 8.093 0.082 18412 6278 1 15 . 1 1 49 49 LEU N N 49 120.565 120.565 120.559 0.006 18412 6279 1 15 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.442 0.080 18412 6280 1 15 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.032 0.201 18412 6281 1 15 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.339 0.186 18412 6282 1 15 . 1 1 49 49 LEU H H 49 8.212 8.212 8.381 -0.169 18412 6283 1 15 . 1 1 50 50 GLU N N 50 120.639 120.639 117.817 2.822 18412 6284 1 15 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.269 0.307 18412 6285 1 15 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.886 0.290 18412 6286 1 15 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.477 1.147 18412 6287 1 15 . 1 1 50 50 GLU H H 50 8.702 8.702 8.705 -0.003 18412 6288 1 15 . 1 1 51 51 SER N N 51 116.044 116.044 113.136 2.908 18412 6289 1 15 . 1 1 51 51 SER HA H 51 4.178 4.178 4.273 -0.095 18412 6290 1 15 . 1 1 51 51 SER CA C 51 60.575 60.575 60.467 0.108 18412 6291 1 15 . 1 1 51 51 SER CB C 51 62.881 62.881 63.611 -0.730 18412 6292 1 15 . 1 1 51 51 SER H H 51 8.272 8.272 7.626 0.646 18412 6293 1 15 . 1 1 52 52 HIS N N 52 118.134 118.134 118.249 -0.115 18412 6294 1 15 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.551 -0.147 18412 6295 1 15 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.786 2.631 18412 6296 1 15 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.217 -2.797 18412 6297 1 15 . 1 1 52 52 HIS H H 52 7.217 7.217 7.386 -0.169 18412 6298 1 15 . 1 1 53 53 ASN N N 53 113.597 113.597 119.166 -5.569 18412 6299 1 15 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.678 -0.168 18412 6300 1 15 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.511 1.294 18412 6301 1 15 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.908 -1.145 18412 6302 1 15 . 1 1 53 53 ASN H H 53 7.893 7.893 8.756 -0.863 18412 6303 1 15 . 1 1 54 54 LYS N N 54 113.123 113.123 118.677 -5.554 18412 6304 1 15 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.337 -0.102 18412 6305 1 15 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.230 -0.967 18412 6306 1 15 . 1 1 54 54 LYS CB C 54 33.545 33.545 32.520 1.025 18412 6307 1 15 . 1 1 54 54 LYS H H 54 8.082 8.082 7.388 0.694 18412 6308 1 15 . 1 1 55 55 LEU N N 55 120.215 120.215 119.916 0.299 18412 6309 1 15 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.588 0.067 18412 6310 1 15 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.303 -0.036 18412 6311 1 15 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.424 2.953 18412 6312 1 15 . 1 1 55 55 LEU H H 55 6.882 6.882 7.147 -0.266 18412 6313 1 15 . 1 1 56 56 ASP N N 56 120.831 120.831 126.746 -5.915 18412 6314 1 15 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.685 -0.293 18412 6315 1 15 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.695 -0.029 18412 6316 1 15 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.486 -0.171 18412 6317 1 15 . 1 1 56 56 ASP H H 56 8.078 8.078 8.362 -0.284 18412 6318 1 15 . 1 1 57 57 LYS N N 57 115.203 115.203 117.326 -2.123 18412 6319 1 15 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.208 -0.843 18412 6320 1 15 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.725 -0.073 18412 6321 1 15 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.368 -1.050 18412 6322 1 15 . 1 1 57 57 LYS H H 57 7.958 7.958 8.541 -0.583 18412 6323 1 15 . 1 1 58 58 ASP N N 58 118.074 118.074 115.327 2.747 18412 6324 1 15 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.370 0.587 18412 6325 1 15 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.493 -0.210 18412 6326 1 15 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.291 1.768 18412 6327 1 15 . 1 1 58 58 ASP H H 58 8.336 8.336 8.054 0.282 18412 6328 1 15 . 1 1 59 59 ASN N N 59 119.835 119.835 118.439 1.396 18412 6329 1 15 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.691 0.269 18412 6330 1 15 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.405 -0.676 18412 6331 1 15 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.964 -0.087 18412 6332 1 15 . 1 1 59 59 ASN H H 59 7.850 7.850 8.180 -0.330 18412 6333 1 15 . 1 1 60 60 LEU N N 60 125.541 125.541 120.642 4.899 18412 6334 1 15 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.003 -0.443 18412 6335 1 15 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.809 -2.561 18412 6336 1 15 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.897 -0.707 18412 6337 1 15 . 1 1 60 60 LEU H H 60 8.995 8.995 8.449 0.546 18412 6338 1 15 . 1 1 61 61 SER N N 61 114.344 114.344 118.771 -4.427 18412 6339 1 15 . 1 1 61 61 SER HA H 61 4.159 4.159 4.142 0.017 18412 6340 1 15 . 1 1 61 61 SER CA C 61 62.002 62.002 62.533 -0.531 18412 6341 1 15 . 1 1 61 61 SER CB C 61 62.987 62.987 62.603 0.384 18412 6342 1 15 . 1 1 61 61 SER H H 61 7.880 7.880 8.319 -0.439 18412 6343 1 15 . 1 1 62 62 TYR N N 62 125.087 125.087 121.770 3.317 18412 6344 1 15 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.262 0.037 18412 6345 1 15 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.461 0.744 18412 6346 1 15 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.429 0.496 18412 6347 1 15 . 1 1 62 62 TYR H H 62 8.765 8.765 8.339 0.426 18412 6348 1 15 . 1 1 63 63 ILE N N 63 111.338 111.338 116.198 -4.860 18412 6349 1 15 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.832 -0.190 18412 6350 1 15 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.290 0.828 18412 6351 1 15 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.259 -0.876 18412 6352 1 15 . 1 1 63 63 ILE H H 63 7.631 7.631 7.912 -0.281 18412 6353 1 15 . 1 1 64 64 GLU N N 64 121.049 121.049 122.054 -1.005 18412 6354 1 15 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.185 -0.460 18412 6355 1 15 . 1 1 64 64 GLU CA C 64 60.895 60.895 59.990 0.905 18412 6356 1 15 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.332 0.906 18412 6357 1 15 . 1 1 64 64 GLU H H 64 7.987 7.987 8.574 -0.587 18412 6358 1 15 . 1 1 65 65 HIS N N 65 117.657 117.657 119.037 -1.380 18412 6359 1 15 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.287 0.151 18412 6360 1 15 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.487 -0.465 18412 6361 1 15 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.612 -1.025 18412 6362 1 15 . 1 1 65 65 HIS H H 65 7.513 7.513 7.743 -0.230 18412 6363 1 15 . 1 1 66 66 ILE N N 66 118.281 118.281 119.130 -0.849 18412 6364 1 15 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.404 0.023 18412 6365 1 15 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.663 -1.925 18412 6366 1 15 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.166 -1.080 18412 6367 1 15 . 1 1 66 66 ILE H H 66 7.924 7.924 7.464 0.460 18412 6368 1 15 . 1 1 67 67 PHE N N 67 121.084 121.084 116.752 4.332 18412 6369 1 15 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.151 0.315 18412 6370 1 15 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.311 -3.629 18412 6371 1 15 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.705 -1.027 18412 6372 1 15 . 1 1 67 67 PHE H H 67 8.737 8.737 8.044 0.693 18412 6373 1 15 . 1 1 68 68 GLU N N 68 120.739 120.739 119.901 0.838 18412 6374 1 15 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.069 0.017 18412 6375 1 15 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.022 1.078 18412 6376 1 15 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.921 -0.186 18412 6377 1 15 . 1 1 68 68 GLU H H 68 8.228 8.228 7.396 0.833 18412 6378 1 15 . 1 1 69 69 ILE N N 69 117.535 117.535 114.664 2.871 18412 6379 1 15 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.851 0.189 18412 6380 1 15 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.069 1.162 18412 6381 1 15 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.940 -0.313 18412 6382 1 15 . 1 1 69 69 ILE H H 69 8.393 8.393 7.876 0.517 18412 6383 1 15 . 1 1 70 70 SER N N 70 115.058 115.058 116.444 -1.386 18412 6384 1 15 . 1 1 70 70 SER HA H 70 4.419 4.419 4.359 0.060 18412 6385 1 15 . 1 1 70 70 SER CA C 70 58.502 58.502 58.010 0.492 18412 6386 1 15 . 1 1 70 70 SER CB C 70 63.029 63.029 64.202 -1.173 18412 6387 1 15 . 1 1 70 70 SER H H 70 7.857 7.857 7.766 0.091 18412 6388 1 15 . 1 1 71 71 ARG N N 71 115.621 115.621 124.899 -9.278 18412 6389 1 15 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.224 -0.322 18412 6390 1 15 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.291 0.161 18412 6391 1 15 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.847 -1.497 18412 6392 1 15 . 1 1 71 71 ARG H H 71 7.753 7.753 8.763 -1.010 18412 6393 1 15 . 1 1 72 72 ARG N N 72 115.226 115.226 119.853 -4.627 18412 6394 1 15 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.907 0.167 18412 6395 1 15 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.427 -3.814 18412 6396 1 15 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.768 -2.206 18412 6397 1 15 . 1 1 72 72 ARG H H 72 8.006 8.006 8.396 -0.390 18412 6398 1 15 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.470 -0.133 18412 6399 1 15 . 1 1 73 73 PRO CA C 73 64.698 64.698 65.136 -0.438 18412 6400 1 15 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.895 -0.566 18412 6401 1 15 . 1 1 74 74 ASP N N 74 118.600 118.600 117.709 0.891 18412 6402 1 15 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.436 -0.256 18412 6403 1 15 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.268 -1.278 18412 6404 1 15 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.870 -1.835 18412 6405 1 15 . 1 1 74 74 ASP H H 74 9.152 9.152 8.697 0.455 18412 6406 1 15 . 1 1 75 75 LEU N N 75 120.762 120.762 120.054 0.708 18412 6407 1 15 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.973 -0.066 18412 6408 1 15 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.380 -1.018 18412 6409 1 15 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.355 -2.716 18412 6410 1 15 . 1 1 75 75 LEU H H 75 7.044 7.044 7.361 -0.317 18412 6411 1 15 . 1 1 76 76 LEU N N 76 118.917 118.917 120.693 -1.776 18412 6412 1 15 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.985 0.133 18412 6413 1 15 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.897 -0.044 18412 6414 1 15 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.591 1.015 18412 6415 1 15 . 1 1 76 76 LEU H H 76 7.850 7.850 7.731 0.119 18412 6416 1 15 . 1 1 77 77 THR N N 77 114.574 114.574 116.106 -1.532 18412 6417 1 15 . 1 1 77 77 THR HA H 77 3.830 3.830 3.843 -0.013 18412 6418 1 15 . 1 1 77 77 THR CA C 77 66.882 66.882 67.083 -0.201 18412 6419 1 15 . 1 1 77 77 THR CB C 77 68.991 68.991 68.687 0.304 18412 6420 1 15 . 1 1 77 77 THR H H 77 8.287 8.287 8.350 -0.063 18412 6421 1 15 . 1 1 78 78 MET N N 78 118.873 118.873 118.457 0.416 18412 6422 1 15 . 1 1 78 78 MET HA H 78 4.155 4.155 4.169 -0.014 18412 6423 1 15 . 1 1 78 78 MET CA C 78 59.838 59.838 57.618 2.220 18412 6424 1 15 . 1 1 78 78 MET CB C 78 32.697 32.697 31.130 1.567 18412 6425 1 15 . 1 1 78 78 MET H H 78 7.032 7.032 7.780 -0.748 18412 6426 1 15 . 1 1 79 79 VAL N N 79 120.046 120.046 119.640 0.406 18412 6427 1 15 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.778 -0.057 18412 6428 1 15 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.545 0.436 18412 6429 1 15 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.684 0.348 18412 6430 1 15 . 1 1 79 79 VAL H H 79 7.633 7.633 7.491 0.142 18412 6431 1 15 . 1 1 80 80 VAL N N 80 121.510 121.510 120.513 0.997 18412 6432 1 15 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.576 -0.035 18412 6433 1 15 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.543 -0.438 18412 6434 1 15 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.217 0.630 18412 6435 1 15 . 1 1 80 80 VAL H H 80 8.601 8.601 8.735 -0.134 18412 6436 1 15 . 1 1 81 81 ASP N N 81 121.760 121.760 119.964 1.796 18412 6437 1 15 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.329 0.024 18412 6438 1 15 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.569 0.107 18412 6439 1 15 . 1 1 81 81 ASP CB C 81 40.571 40.571 41.008 -0.437 18412 6440 1 15 . 1 1 81 81 ASP H H 81 8.677 8.677 8.414 0.263 18412 6441 1 15 . 1 1 82 82 TYR N N 82 121.025 121.025 121.634 -0.609 18412 6442 1 15 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.053 0.134 18412 6443 1 15 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.427 0.076 18412 6444 1 15 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.384 0.239 18412 6445 1 15 . 1 1 82 82 TYR H H 82 7.608 7.608 7.950 -0.342 18412 6446 1 15 . 1 1 83 83 ARG N N 83 119.379 119.379 118.853 0.526 18412 6447 1 15 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.630 0.041 18412 6448 1 15 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.502 0.375 18412 6449 1 15 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.612 0.766 18412 6450 1 15 . 1 1 83 83 ARG H H 83 8.596 8.596 8.602 -0.006 18412 6451 1 15 . 1 1 84 84 THR N N 84 113.330 113.330 116.332 -3.002 18412 6452 1 15 . 1 1 84 84 THR HA H 84 3.946 3.946 3.978 -0.032 18412 6453 1 15 . 1 1 84 84 THR CA C 84 65.316 65.316 66.830 -1.514 18412 6454 1 15 . 1 1 84 84 THR CB C 84 69.273 69.273 68.789 0.484 18412 6455 1 15 . 1 1 84 84 THR H H 84 8.305 8.305 7.864 0.441 18412 6456 1 15 . 1 1 85 85 ARG N N 85 121.457 121.457 122.296 -0.839 18412 6457 1 15 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.078 -0.021 18412 6458 1 15 . 1 1 85 85 ARG CA C 85 58.905 58.905 58.927 -0.022 18412 6459 1 15 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.010 1.795 18412 6460 1 15 . 1 1 85 85 ARG H H 85 7.949 7.949 8.541 -0.592 18412 6461 1 15 . 1 1 86 86 VAL N N 86 117.232 117.232 119.777 -2.545 18412 6462 1 15 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.768 0.029 18412 6463 1 15 . 1 1 86 86 VAL CA C 86 64.264 64.264 64.671 -0.407 18412 6464 1 15 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.619 1.089 18412 6465 1 15 . 1 1 86 86 VAL H H 86 7.962 7.962 7.928 0.034 18412 6466 1 15 . 1 1 87 87 LEU N N 87 120.870 120.870 121.127 -0.257 18412 6467 1 15 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.903 0.255 18412 6468 1 15 . 1 1 87 87 LEU CA C 87 56.056 56.056 57.949 -1.893 18412 6469 1 15 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.467 0.266 18412 6470 1 15 . 1 1 87 87 LEU H H 87 7.463 7.463 7.292 0.171 18412 6471 1 15 . 1 1 88 88 LYS N N 88 118.925 118.925 117.819 1.106 18412 6472 1 15 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.073 0.095 18412 6473 1 15 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.766 -2.077 18412 6474 1 15 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.891 -0.769 18412 6475 1 15 . 1 1 88 88 LYS H H 88 7.602 7.602 8.042 -0.440 18412 6476 1 15 . 1 1 89 89 ILE N N 89 120.845 120.845 119.236 1.609 18412 6477 1 15 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.902 0.147 18412 6478 1 15 . 1 1 89 89 ILE CA C 89 61.867 61.867 63.137 -1.270 18412 6479 1 15 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.566 0.094 18412 6480 1 15 . 1 1 89 89 ILE H H 89 7.882 7.882 7.695 0.187 18412 6481 1 16 . 1 1 2 2 ALA N N 2 124.384 124.384 124.276 0.108 18412 6482 1 16 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.193 0.006 18412 6483 1 16 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.084 -0.432 18412 6484 1 16 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.799 0.586 18412 6485 1 16 . 1 1 2 2 ALA H H 2 8.326 8.326 8.465 -0.139 18412 6486 1 16 . 1 1 3 3 GLU N N 3 118.800 118.800 117.753 1.047 18412 6487 1 16 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.121 0.077 18412 6488 1 16 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.528 -0.124 18412 6489 1 16 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.125 0.431 18412 6490 1 16 . 1 1 3 3 GLU H H 3 8.411 8.411 9.098 -0.687 18412 6491 1 16 . 1 1 4 4 TYR N N 4 123.838 123.838 120.512 3.326 18412 6492 1 16 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.524 0.480 18412 6493 1 16 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.211 0.421 18412 6494 1 16 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.720 0.682 18412 6495 1 16 . 1 1 4 4 TYR H H 4 8.448 8.448 8.436 0.012 18412 6496 1 16 . 1 1 5 5 GLY N N 5 105.816 105.816 106.278 -0.462 18412 6497 1 16 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.382 -0.240 18412 6498 1 16 . 1 1 5 5 GLY H H 5 8.250 8.250 8.436 -0.186 18412 6499 1 16 . 1 1 6 6 THR N N 6 119.523 119.523 118.918 0.605 18412 6500 1 16 . 1 1 6 6 THR HA H 6 3.802 3.802 3.875 -0.073 18412 6501 1 16 . 1 1 6 6 THR CA C 6 66.449 66.449 65.962 0.487 18412 6502 1 16 . 1 1 6 6 THR CB C 6 68.391 68.391 68.767 -0.376 18412 6503 1 16 . 1 1 6 6 THR H H 6 7.868 7.868 7.839 0.029 18412 6504 1 16 . 1 1 7 7 LEU N N 7 123.502 123.502 123.340 0.162 18412 6505 1 16 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.822 0.417 18412 6506 1 16 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.001 0.224 18412 6507 1 16 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.831 -1.078 18412 6508 1 16 . 1 1 7 7 LEU H H 7 7.594 7.594 8.167 -0.573 18412 6509 1 16 . 1 1 8 8 LEU N N 8 115.222 115.222 117.596 -2.374 18412 6510 1 16 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.401 -0.128 18412 6511 1 16 . 1 1 8 8 LEU CA C 8 58.134 58.134 57.951 0.183 18412 6512 1 16 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.966 0.170 18412 6513 1 16 . 1 1 8 8 LEU H H 8 7.654 7.654 7.971 -0.317 18412 6514 1 16 . 1 1 9 9 GLN N N 9 120.743 120.743 119.505 1.238 18412 6515 1 16 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.993 -0.114 18412 6516 1 16 . 1 1 9 9 GLN CA C 9 58.776 58.776 58.637 0.139 18412 6517 1 16 . 1 1 9 9 GLN CB C 9 28.928 28.928 27.677 1.252 18412 6518 1 16 . 1 1 9 9 GLN H H 9 7.688 7.688 7.617 0.071 18412 6519 1 16 . 1 1 10 10 ASP N N 10 122.554 122.554 120.233 2.321 18412 6520 1 16 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.349 -0.016 18412 6521 1 16 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.541 0.135 18412 6522 1 16 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.565 -0.628 18412 6523 1 16 . 1 1 10 10 ASP H H 10 8.656 8.656 8.131 0.525 18412 6524 1 16 . 1 1 11 11 LEU N N 11 119.408 119.408 117.516 1.892 18412 6525 1 16 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.237 -0.351 18412 6526 1 16 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.933 0.552 18412 6527 1 16 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.192 2.061 18412 6528 1 16 . 1 1 11 11 LEU H H 11 8.805 8.805 7.577 1.228 18412 6529 1 16 . 1 1 12 12 THR N N 12 113.945 113.945 116.651 -2.706 18412 6530 1 16 . 1 1 12 12 THR HA H 12 3.875 3.875 4.033 -0.158 18412 6531 1 16 . 1 1 12 12 THR CA C 12 67.829 67.829 67.148 0.681 18412 6532 1 16 . 1 1 12 12 THR CB C 12 68.521 68.521 68.237 0.284 18412 6533 1 16 . 1 1 12 12 THR H H 12 8.305 8.305 8.208 0.097 18412 6534 1 16 . 1 1 13 13 ASN N N 13 119.138 119.138 118.261 0.877 18412 6535 1 16 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.548 0.042 18412 6536 1 16 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.749 -1.099 18412 6537 1 16 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.135 0.128 18412 6538 1 16 . 1 1 13 13 ASN H H 13 8.180 8.180 8.413 -0.233 18412 6539 1 16 . 1 1 14 14 ASN N N 14 117.905 117.905 115.314 2.591 18412 6540 1 16 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.718 0.108 18412 6541 1 16 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.129 0.229 18412 6542 1 16 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.432 2.026 18412 6543 1 16 . 1 1 14 14 ASN H H 14 7.778 7.778 7.823 -0.045 18412 6544 1 16 . 1 1 15 15 ILE N N 15 120.690 120.690 122.936 -2.246 18412 6545 1 16 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.093 0.618 18412 6546 1 16 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.578 0.299 18412 6547 1 16 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.697 4.647 18412 6548 1 16 . 1 1 15 15 ILE H H 15 7.234 7.234 7.466 -0.232 18412 6549 1 16 . 1 1 16 16 THR N N 16 120.066 120.066 119.115 0.951 18412 6550 1 16 . 1 1 16 16 THR HA H 16 4.536 4.536 4.520 0.016 18412 6551 1 16 . 1 1 16 16 THR CA C 16 60.804 60.804 59.925 0.879 18412 6552 1 16 . 1 1 16 16 THR CB C 16 71.263 71.263 71.520 -0.257 18412 6553 1 16 . 1 1 16 16 THR H H 16 9.188 9.188 7.795 1.393 18412 6554 1 16 . 1 1 17 17 LEU N N 17 121.043 121.043 122.478 -1.435 18412 6555 1 16 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.835 0.161 18412 6556 1 16 . 1 1 17 17 LEU CA C 17 58.693 58.693 59.187 -0.494 18412 6557 1 16 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.595 -0.268 18412 6558 1 16 . 1 1 17 17 LEU H H 17 8.662 8.662 8.801 -0.139 18412 6559 1 16 . 1 1 18 18 GLU N N 18 118.968 118.968 118.565 0.403 18412 6560 1 16 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.822 0.125 18412 6561 1 16 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.650 0.336 18412 6562 1 16 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.230 -0.082 18412 6563 1 16 . 1 1 18 18 GLU H H 18 8.374 8.374 8.546 -0.172 18412 6564 1 16 . 1 1 19 19 ASP N N 19 121.542 121.542 120.839 0.703 18412 6565 1 16 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.322 -0.179 18412 6566 1 16 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.392 -0.801 18412 6567 1 16 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.709 0.603 18412 6568 1 16 . 1 1 19 19 ASP H H 19 7.857 7.857 8.455 -0.598 18412 6569 1 16 . 1 1 20 20 LEU N N 20 120.904 120.904 121.029 -0.125 18412 6570 1 16 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.805 -0.388 18412 6571 1 16 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.045 -1.131 18412 6572 1 16 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.658 -0.556 18412 6573 1 16 . 1 1 20 20 LEU H H 20 8.412 8.412 8.360 0.052 18412 6574 1 16 . 1 1 21 21 GLU N N 21 117.187 117.187 118.515 -1.328 18412 6575 1 16 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.709 0.089 18412 6576 1 16 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.590 -0.320 18412 6577 1 16 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.099 -0.182 18412 6578 1 16 . 1 1 21 21 GLU H H 21 7.462 7.462 8.166 -0.704 18412 6579 1 16 . 1 1 22 22 GLN N N 22 118.617 118.617 120.513 -1.896 18412 6580 1 16 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.033 -0.014 18412 6581 1 16 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.797 -0.210 18412 6582 1 16 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.570 -0.335 18412 6583 1 16 . 1 1 22 22 GLN H H 22 7.135 7.135 7.899 -0.764 18412 6584 1 16 . 1 1 23 23 LEU N N 23 121.325 121.325 120.070 1.255 18412 6585 1 16 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.768 -0.063 18412 6586 1 16 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.597 0.188 18412 6587 1 16 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.200 -1.580 18412 6588 1 16 . 1 1 23 23 LEU H H 23 7.833 7.833 7.685 0.148 18412 6589 1 16 . 1 1 24 24 LYS N N 24 116.045 116.045 118.968 -2.923 18412 6590 1 16 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.498 0.152 18412 6591 1 16 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.653 0.892 18412 6592 1 16 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.951 -0.139 18412 6593 1 16 . 1 1 24 24 LYS H H 24 8.307 8.307 8.297 0.010 18412 6594 1 16 . 1 1 25 25 SER N N 25 116.071 116.071 115.240 0.831 18412 6595 1 16 . 1 1 25 25 SER HA H 25 4.111 4.111 4.071 0.040 18412 6596 1 16 . 1 1 25 25 SER CA C 25 61.557 61.557 61.828 -0.271 18412 6597 1 16 . 1 1 25 25 SER CB C 25 62.565 62.565 62.708 -0.143 18412 6598 1 16 . 1 1 25 25 SER H H 25 7.781 7.781 7.949 -0.168 18412 6599 1 16 . 1 1 26 26 ALA N N 26 123.448 123.448 124.545 -1.097 18412 6600 1 16 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.124 0.051 18412 6601 1 16 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.828 -0.578 18412 6602 1 16 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.464 0.249 18412 6603 1 16 . 1 1 26 26 ALA H H 26 7.735 7.735 7.867 -0.132 18412 6604 1 16 . 1 1 27 27 CYS N N 27 113.480 113.480 115.159 -1.679 18412 6605 1 16 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.482 0.149 18412 6606 1 16 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.218 -0.837 18412 6607 1 16 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.720 1.914 18412 6608 1 16 . 1 1 27 27 CYS H H 27 7.390 7.390 8.245 -0.855 18412 6609 1 16 . 1 1 28 28 LYS N N 28 118.354 118.354 120.850 -2.496 18412 6610 1 16 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.049 -0.104 18412 6611 1 16 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.081 -0.661 18412 6612 1 16 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.636 -0.089 18412 6613 1 16 . 1 1 28 28 LYS H H 28 7.634 7.634 7.285 0.349 18412 6614 1 16 . 1 1 29 29 GLU N N 29 118.875 118.875 118.118 0.757 18412 6615 1 16 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.204 -0.047 18412 6616 1 16 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.406 -0.166 18412 6617 1 16 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.419 -0.555 18412 6618 1 16 . 1 1 29 29 GLU H H 29 8.552 8.552 8.417 0.135 18412 6619 1 16 . 1 1 30 30 ASP N N 30 117.610 117.610 118.148 -0.538 18412 6620 1 16 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.626 -0.038 18412 6621 1 16 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.483 0.400 18412 6622 1 16 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.924 -0.397 18412 6623 1 16 . 1 1 30 30 ASP H H 30 7.962 7.962 7.580 0.382 18412 6624 1 16 . 1 1 31 31 ILE N N 31 116.930 116.930 122.601 -5.671 18412 6625 1 16 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.707 -0.340 18412 6626 1 16 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.488 0.545 18412 6627 1 16 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.703 -0.933 18412 6628 1 16 . 1 1 31 31 ILE H H 31 7.317 7.317 8.327 -1.010 18412 6629 1 16 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.651 -0.190 18412 6630 1 16 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.813 0.032 18412 6631 1 16 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.470 0.044 18412 6632 1 16 . 1 1 33 33 SER N N 33 119.808 119.808 119.342 0.466 18412 6633 1 16 . 1 1 33 33 SER HA H 33 4.141 4.141 3.915 0.226 18412 6634 1 16 . 1 1 33 33 SER CA C 33 61.125 61.125 62.568 -1.443 18412 6635 1 16 . 1 1 33 33 SER CB C 33 63.000 63.000 63.154 -0.153 18412 6636 1 16 . 1 1 33 33 SER H H 33 8.778 8.778 8.911 -0.133 18412 6637 1 16 . 1 1 34 34 GLU N N 34 120.906 120.906 119.480 1.426 18412 6638 1 16 . 1 1 34 34 GLU HA H 34 4.205 4.205 3.992 0.213 18412 6639 1 16 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.607 -0.907 18412 6640 1 16 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.412 -0.700 18412 6641 1 16 . 1 1 34 34 GLU H H 34 9.336 9.336 8.663 0.673 18412 6642 1 16 . 1 1 35 35 LYS N N 35 117.698 117.698 118.186 -0.488 18412 6643 1 16 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.008 0.339 18412 6644 1 16 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.794 -2.334 18412 6645 1 16 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.135 1.122 18412 6646 1 16 . 1 1 35 35 LYS H H 35 7.659 7.659 7.662 -0.003 18412 6647 1 16 . 1 1 36 36 SER N N 36 114.472 114.472 115.939 -1.467 18412 6648 1 16 . 1 1 36 36 SER HA H 36 3.652 3.652 3.983 -0.331 18412 6649 1 16 . 1 1 36 36 SER CA C 36 61.450 61.450 61.295 0.155 18412 6650 1 16 . 1 1 36 36 SER CB C 36 62.820 62.820 62.933 -0.113 18412 6651 1 16 . 1 1 36 36 SER H H 36 7.732 7.732 8.453 -0.721 18412 6652 1 16 . 1 1 37 37 GLU N N 37 118.258 118.258 119.558 -1.300 18412 6653 1 16 . 1 1 37 37 GLU HA H 37 3.970 3.970 3.987 -0.017 18412 6654 1 16 . 1 1 37 37 GLU CA C 37 58.113 58.113 59.060 -0.947 18412 6655 1 16 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.423 0.121 18412 6656 1 16 . 1 1 37 37 GLU H H 37 8.187 8.187 7.813 0.374 18412 6657 1 16 . 1 1 38 38 GLU N N 38 115.652 115.652 116.703 -1.051 18412 6658 1 16 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.236 -0.040 18412 6659 1 16 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.628 -0.134 18412 6660 1 16 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.752 0.350 18412 6661 1 16 . 1 1 38 38 GLU H H 38 7.472 7.472 7.820 -0.348 18412 6662 1 16 . 1 1 39 39 ILE N N 39 121.367 121.367 123.498 -2.131 18412 6663 1 16 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.111 -0.126 18412 6664 1 16 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.472 -0.553 18412 6665 1 16 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.861 1.543 18412 6666 1 16 . 1 1 39 39 ILE H H 39 7.504 7.504 7.380 0.124 18412 6667 1 16 . 1 1 40 40 THR N N 40 115.102 115.102 119.493 -4.391 18412 6668 1 16 . 1 1 40 40 THR HA H 40 4.459 4.459 4.344 0.115 18412 6669 1 16 . 1 1 40 40 THR CA C 40 61.169 61.169 62.584 -1.415 18412 6670 1 16 . 1 1 40 40 THR CB C 40 69.913 69.913 69.025 0.888 18412 6671 1 16 . 1 1 40 40 THR H H 40 8.173 8.173 8.306 -0.133 18412 6672 1 16 . 1 1 41 41 THR N N 41 108.664 108.664 112.545 -3.881 18412 6673 1 16 . 1 1 41 41 THR HA H 41 4.602 4.602 4.455 0.147 18412 6674 1 16 . 1 1 41 41 THR CA C 41 59.116 59.116 60.821 -1.705 18412 6675 1 16 . 1 1 41 41 THR CB C 41 73.442 73.442 71.141 2.301 18412 6676 1 16 . 1 1 41 41 THR H H 41 7.104 7.104 7.161 -0.057 18412 6677 1 16 . 1 1 42 42 GLY N N 42 109.200 109.200 111.165 -1.965 18412 6678 1 16 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.307 0.204 18412 6679 1 16 . 1 1 42 42 GLY H H 42 9.196 9.196 8.899 0.297 18412 6680 1 16 . 1 1 43 43 SER N N 43 114.564 114.564 118.127 -3.563 18412 6681 1 16 . 1 1 43 43 SER HA H 43 4.360 4.360 4.327 0.033 18412 6682 1 16 . 1 1 43 43 SER CA C 43 61.523 61.523 62.056 -0.533 18412 6683 1 16 . 1 1 43 43 SER CB C 43 62.448 62.448 63.085 -0.637 18412 6684 1 16 . 1 1 43 43 SER H H 43 8.208 8.208 8.298 -0.090 18412 6685 1 16 . 1 1 44 44 ALA N N 44 123.757 123.757 124.681 -0.924 18412 6686 1 16 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.271 0.010 18412 6687 1 16 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.926 -0.400 18412 6688 1 16 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.033 1.300 18412 6689 1 16 . 1 1 44 44 ALA H H 44 7.964 7.964 8.316 -0.352 18412 6690 1 16 . 1 1 45 45 TRP N N 45 122.904 122.904 120.545 2.359 18412 6691 1 16 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.405 -0.177 18412 6692 1 16 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.276 1.353 18412 6693 1 16 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.210 -1.686 18412 6694 1 16 . 1 1 45 45 TRP H H 45 8.001 8.001 7.810 0.191 18412 6695 1 16 . 1 1 46 46 PHE N N 46 116.699 116.699 118.545 -1.846 18412 6696 1 16 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.602 0.284 18412 6697 1 16 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.944 -0.252 18412 6698 1 16 . 1 1 46 46 PHE CB C 46 37.845 37.845 37.983 -0.138 18412 6699 1 16 . 1 1 46 46 PHE H H 46 8.250 8.250 8.435 -0.185 18412 6700 1 16 . 1 1 47 47 SER N N 47 113.740 113.740 116.001 -2.261 18412 6701 1 16 . 1 1 47 47 SER HA H 47 4.419 4.419 4.523 -0.104 18412 6702 1 16 . 1 1 47 47 SER CA C 47 61.723 61.723 61.619 0.104 18412 6703 1 16 . 1 1 47 47 SER CB C 47 62.769 62.769 62.720 0.049 18412 6704 1 16 . 1 1 47 47 SER H H 47 8.331 8.331 8.850 -0.519 18412 6705 1 16 . 1 1 48 48 PHE N N 48 124.310 124.310 124.281 0.029 18412 6706 1 16 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.281 -0.029 18412 6707 1 16 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.845 0.942 18412 6708 1 16 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.830 0.101 18412 6709 1 16 . 1 1 48 48 PHE H H 48 8.175 8.175 8.076 0.099 18412 6710 1 16 . 1 1 49 49 LEU N N 49 120.565 120.565 120.368 0.197 18412 6711 1 16 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.459 0.063 18412 6712 1 16 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.047 0.186 18412 6713 1 16 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.541 -0.016 18412 6714 1 16 . 1 1 49 49 LEU H H 49 8.212 8.212 8.538 -0.326 18412 6715 1 16 . 1 1 50 50 GLU N N 50 120.639 120.639 118.501 2.138 18412 6716 1 16 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.208 0.368 18412 6717 1 16 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.971 0.205 18412 6718 1 16 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.427 1.197 18412 6719 1 16 . 1 1 50 50 GLU H H 50 8.702 8.702 8.741 -0.039 18412 6720 1 16 . 1 1 51 51 SER N N 51 116.044 116.044 113.148 2.896 18412 6721 1 16 . 1 1 51 51 SER HA H 51 4.178 4.178 4.314 -0.136 18412 6722 1 16 . 1 1 51 51 SER CA C 51 60.575 60.575 60.484 0.091 18412 6723 1 16 . 1 1 51 51 SER CB C 51 62.881 62.881 63.638 -0.757 18412 6724 1 16 . 1 1 51 51 SER H H 51 8.272 8.272 7.608 0.664 18412 6725 1 16 . 1 1 52 52 HIS N N 52 118.134 118.134 118.298 -0.164 18412 6726 1 16 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.624 -0.220 18412 6727 1 16 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.731 2.686 18412 6728 1 16 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.357 -2.937 18412 6729 1 16 . 1 1 52 52 HIS H H 52 7.217 7.217 7.616 -0.399 18412 6730 1 16 . 1 1 53 53 ASN N N 53 113.597 113.597 118.450 -4.853 18412 6731 1 16 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.661 -0.151 18412 6732 1 16 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.373 1.432 18412 6733 1 16 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.626 -0.863 18412 6734 1 16 . 1 1 53 53 ASN H H 53 7.893 7.893 8.779 -0.886 18412 6735 1 16 . 1 1 54 54 LYS N N 54 113.123 113.123 118.630 -5.507 18412 6736 1 16 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.389 -0.154 18412 6737 1 16 . 1 1 54 54 LYS CA C 54 54.263 54.263 54.864 -0.601 18412 6738 1 16 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.692 -0.147 18412 6739 1 16 . 1 1 54 54 LYS H H 54 8.082 8.082 7.760 0.322 18412 6740 1 16 . 1 1 55 55 LEU N N 55 120.215 120.215 119.721 0.494 18412 6741 1 16 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.663 -0.008 18412 6742 1 16 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.993 0.274 18412 6743 1 16 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.741 2.636 18412 6744 1 16 . 1 1 55 55 LEU H H 55 6.882 6.882 7.340 -0.458 18412 6745 1 16 . 1 1 56 56 ASP N N 56 120.831 120.831 126.809 -5.978 18412 6746 1 16 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.677 -0.285 18412 6747 1 16 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.508 -0.842 18412 6748 1 16 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.973 -0.658 18412 6749 1 16 . 1 1 56 56 ASP H H 56 8.078 8.078 8.460 -0.382 18412 6750 1 16 . 1 1 57 57 LYS N N 57 115.203 115.203 118.604 -3.401 18412 6751 1 16 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.101 -0.736 18412 6752 1 16 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.778 -0.126 18412 6753 1 16 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.205 -0.887 18412 6754 1 16 . 1 1 57 57 LYS H H 57 7.958 7.958 8.629 -0.671 18412 6755 1 16 . 1 1 58 58 ASP N N 58 118.074 118.074 115.154 2.920 18412 6756 1 16 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.396 0.561 18412 6757 1 16 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.777 -0.494 18412 6758 1 16 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.864 2.195 18412 6759 1 16 . 1 1 58 58 ASP H H 58 8.336 8.336 8.190 0.146 18412 6760 1 16 . 1 1 59 59 ASN N N 59 119.835 119.835 118.877 0.958 18412 6761 1 16 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.812 0.148 18412 6762 1 16 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.575 -0.846 18412 6763 1 16 . 1 1 59 59 ASN CB C 59 38.877 38.877 39.037 -0.160 18412 6764 1 16 . 1 1 59 59 ASN H H 59 7.850 7.850 8.173 -0.323 18412 6765 1 16 . 1 1 60 60 LEU N N 60 125.541 125.541 120.361 5.180 18412 6766 1 16 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.024 -0.464 18412 6767 1 16 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.416 -2.168 18412 6768 1 16 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.936 -0.746 18412 6769 1 16 . 1 1 60 60 LEU H H 60 8.995 8.995 8.354 0.641 18412 6770 1 16 . 1 1 61 61 SER N N 61 114.344 114.344 117.067 -2.723 18412 6771 1 16 . 1 1 61 61 SER HA H 61 4.159 4.159 4.482 -0.323 18412 6772 1 16 . 1 1 61 61 SER CA C 61 62.002 62.002 61.389 0.613 18412 6773 1 16 . 1 1 61 61 SER CB C 61 62.987 62.987 62.796 0.191 18412 6774 1 16 . 1 1 61 61 SER H H 61 7.880 7.880 8.309 -0.429 18412 6775 1 16 . 1 1 62 62 TYR N N 62 125.087 125.087 121.486 3.601 18412 6776 1 16 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.364 -0.065 18412 6777 1 16 . 1 1 62 62 TYR CA C 62 62.205 62.205 59.508 2.697 18412 6778 1 16 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.077 0.848 18412 6779 1 16 . 1 1 62 62 TYR H H 62 8.765 8.765 8.270 0.495 18412 6780 1 16 . 1 1 63 63 ILE N N 63 111.338 111.338 116.615 -5.277 18412 6781 1 16 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.389 0.253 18412 6782 1 16 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.089 1.029 18412 6783 1 16 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.899 -0.516 18412 6784 1 16 . 1 1 63 63 ILE H H 63 7.631 7.631 7.724 -0.093 18412 6785 1 16 . 1 1 64 64 GLU N N 64 121.049 121.049 122.208 -1.159 18412 6786 1 16 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.111 -0.386 18412 6787 1 16 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.188 0.707 18412 6788 1 16 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.661 0.577 18412 6789 1 16 . 1 1 64 64 GLU H H 64 7.987 7.987 8.394 -0.407 18412 6790 1 16 . 1 1 65 65 HIS N N 65 117.657 117.657 119.413 -1.756 18412 6791 1 16 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.481 -0.043 18412 6792 1 16 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.339 -0.317 18412 6793 1 16 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.740 -1.153 18412 6794 1 16 . 1 1 65 65 HIS H H 65 7.513 7.513 8.292 -0.779 18412 6795 1 16 . 1 1 66 66 ILE N N 66 118.281 118.281 119.110 -0.829 18412 6796 1 16 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.486 -0.059 18412 6797 1 16 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.682 -1.944 18412 6798 1 16 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.103 -1.017 18412 6799 1 16 . 1 1 66 66 ILE H H 66 7.924 7.924 7.900 0.024 18412 6800 1 16 . 1 1 67 67 PHE N N 67 121.084 121.084 117.237 3.847 18412 6801 1 16 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.345 0.121 18412 6802 1 16 . 1 1 67 67 PHE CA C 67 57.682 57.682 60.795 -3.113 18412 6803 1 16 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.864 -1.186 18412 6804 1 16 . 1 1 67 67 PHE H H 67 8.737 8.737 7.929 0.808 18412 6805 1 16 . 1 1 68 68 GLU N N 68 120.739 120.739 120.044 0.695 18412 6806 1 16 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.097 -0.011 18412 6807 1 16 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.265 0.835 18412 6808 1 16 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.860 -0.125 18412 6809 1 16 . 1 1 68 68 GLU H H 68 8.228 8.228 7.484 0.744 18412 6810 1 16 . 1 1 69 69 ILE N N 69 117.535 117.535 114.049 3.486 18412 6811 1 16 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.929 0.111 18412 6812 1 16 . 1 1 69 69 ILE CA C 69 64.231 64.231 62.802 1.429 18412 6813 1 16 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.075 -0.448 18412 6814 1 16 . 1 1 69 69 ILE H H 69 8.393 8.393 7.880 0.513 18412 6815 1 16 . 1 1 70 70 SER N N 70 115.058 115.058 116.530 -1.472 18412 6816 1 16 . 1 1 70 70 SER HA H 70 4.419 4.419 4.371 0.048 18412 6817 1 16 . 1 1 70 70 SER CA C 70 58.502 58.502 57.623 0.879 18412 6818 1 16 . 1 1 70 70 SER CB C 70 63.029 63.029 64.966 -1.937 18412 6819 1 16 . 1 1 70 70 SER H H 70 7.857 7.857 7.814 0.043 18412 6820 1 16 . 1 1 71 71 ARG N N 71 115.621 115.621 123.018 -7.397 18412 6821 1 16 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.269 -0.367 18412 6822 1 16 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.946 0.506 18412 6823 1 16 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.699 -1.349 18412 6824 1 16 . 1 1 71 71 ARG H H 71 7.753 7.753 8.572 -0.819 18412 6825 1 16 . 1 1 72 72 ARG N N 72 115.226 115.226 119.922 -4.696 18412 6826 1 16 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.959 0.115 18412 6827 1 16 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.635 -4.022 18412 6828 1 16 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.943 -2.381 18412 6829 1 16 . 1 1 72 72 ARG H H 72 8.006 8.006 8.554 -0.548 18412 6830 1 16 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.449 -0.112 18412 6831 1 16 . 1 1 73 73 PRO CA C 73 64.698 64.698 65.027 -0.329 18412 6832 1 16 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.944 -0.615 18412 6833 1 16 . 1 1 74 74 ASP N N 74 118.600 118.600 118.879 -0.279 18412 6834 1 16 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.420 -0.240 18412 6835 1 16 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.589 -1.599 18412 6836 1 16 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.975 -1.940 18412 6837 1 16 . 1 1 74 74 ASP H H 74 9.152 9.152 8.672 0.480 18412 6838 1 16 . 1 1 75 75 LEU N N 75 120.762 120.762 119.848 0.914 18412 6839 1 16 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.965 -0.058 18412 6840 1 16 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.160 -0.798 18412 6841 1 16 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.304 -2.665 18412 6842 1 16 . 1 1 75 75 LEU H H 75 7.044 7.044 7.379 -0.335 18412 6843 1 16 . 1 1 76 76 LEU N N 76 118.917 118.917 120.746 -1.829 18412 6844 1 16 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.993 0.125 18412 6845 1 16 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.799 0.054 18412 6846 1 16 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.426 1.179 18412 6847 1 16 . 1 1 76 76 LEU H H 76 7.850 7.850 8.109 -0.259 18412 6848 1 16 . 1 1 77 77 THR N N 77 114.574 114.574 115.789 -1.215 18412 6849 1 16 . 1 1 77 77 THR HA H 77 3.830 3.830 3.915 -0.085 18412 6850 1 16 . 1 1 77 77 THR CA C 77 66.882 66.882 66.605 0.277 18412 6851 1 16 . 1 1 77 77 THR CB C 77 68.991 68.991 68.223 0.768 18412 6852 1 16 . 1 1 77 77 THR H H 77 8.287 8.287 8.314 -0.027 18412 6853 1 16 . 1 1 78 78 MET N N 78 118.873 118.873 118.490 0.383 18412 6854 1 16 . 1 1 78 78 MET HA H 78 4.155 4.155 4.214 -0.059 18412 6855 1 16 . 1 1 78 78 MET CA C 78 59.838 59.838 57.833 2.005 18412 6856 1 16 . 1 1 78 78 MET CB C 78 32.697 32.697 31.146 1.551 18412 6857 1 16 . 1 1 78 78 MET H H 78 7.032 7.032 7.690 -0.658 18412 6858 1 16 . 1 1 79 79 VAL N N 79 120.046 120.046 119.635 0.411 18412 6859 1 16 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.838 -0.117 18412 6860 1 16 . 1 1 79 79 VAL CA C 79 66.981 66.981 65.591 1.390 18412 6861 1 16 . 1 1 79 79 VAL CB C 79 32.032 32.032 30.861 1.171 18412 6862 1 16 . 1 1 79 79 VAL H H 79 7.633 7.633 7.470 0.163 18412 6863 1 16 . 1 1 80 80 VAL N N 80 121.510 121.510 121.089 0.421 18412 6864 1 16 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.567 -0.026 18412 6865 1 16 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.488 -0.383 18412 6866 1 16 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.410 0.437 18412 6867 1 16 . 1 1 80 80 VAL H H 80 8.601 8.601 8.620 -0.019 18412 6868 1 16 . 1 1 81 81 ASP N N 81 121.760 121.760 119.917 1.843 18412 6869 1 16 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.312 0.041 18412 6870 1 16 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.198 0.478 18412 6871 1 16 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.686 -0.115 18412 6872 1 16 . 1 1 81 81 ASP H H 81 8.677 8.677 8.540 0.137 18412 6873 1 16 . 1 1 82 82 TYR N N 82 121.025 121.025 121.188 -0.163 18412 6874 1 16 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.058 0.129 18412 6875 1 16 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.258 0.245 18412 6876 1 16 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.475 0.148 18412 6877 1 16 . 1 1 82 82 TYR H H 82 7.608 7.608 8.038 -0.430 18412 6878 1 16 . 1 1 83 83 ARG N N 83 119.379 119.379 118.341 1.038 18412 6879 1 16 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.694 -0.023 18412 6880 1 16 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.192 0.685 18412 6881 1 16 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.669 0.709 18412 6882 1 16 . 1 1 83 83 ARG H H 83 8.596 8.596 8.410 0.186 18412 6883 1 16 . 1 1 84 84 THR N N 84 113.330 113.330 116.156 -2.826 18412 6884 1 16 . 1 1 84 84 THR HA H 84 3.946 3.946 4.071 -0.125 18412 6885 1 16 . 1 1 84 84 THR CA C 84 65.316 65.316 66.736 -1.419 18412 6886 1 16 . 1 1 84 84 THR CB C 84 69.273 69.273 68.471 0.802 18412 6887 1 16 . 1 1 84 84 THR H H 84 8.305 8.305 7.952 0.353 18412 6888 1 16 . 1 1 85 85 ARG N N 85 121.457 121.457 122.478 -1.021 18412 6889 1 16 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.102 -0.045 18412 6890 1 16 . 1 1 85 85 ARG CA C 85 58.905 58.905 58.913 -0.008 18412 6891 1 16 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.020 1.785 18412 6892 1 16 . 1 1 85 85 ARG H H 85 7.949 7.949 8.348 -0.399 18412 6893 1 16 . 1 1 86 86 VAL N N 86 117.232 117.232 119.962 -2.730 18412 6894 1 16 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.769 0.028 18412 6895 1 16 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.849 -1.585 18412 6896 1 16 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.027 0.680 18412 6897 1 16 . 1 1 86 86 VAL H H 86 7.962 7.962 7.715 0.247 18412 6898 1 16 . 1 1 87 87 LEU N N 87 120.870 120.870 121.915 -1.045 18412 6899 1 16 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.986 0.172 18412 6900 1 16 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.068 -2.011 18412 6901 1 16 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.236 0.497 18412 6902 1 16 . 1 1 87 87 LEU H H 87 7.463 7.463 7.294 0.169 18412 6903 1 16 . 1 1 88 88 LYS N N 88 118.925 118.925 118.695 0.230 18412 6904 1 16 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.148 0.020 18412 6905 1 16 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.113 -1.424 18412 6906 1 16 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.617 -0.495 18412 6907 1 16 . 1 1 88 88 LYS H H 88 7.602 7.602 8.162 -0.560 18412 6908 1 16 . 1 1 89 89 ILE N N 89 120.845 120.845 119.212 1.633 18412 6909 1 16 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.883 0.166 18412 6910 1 16 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.755 -0.888 18412 6911 1 16 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.517 0.142 18412 6912 1 16 . 1 1 89 89 ILE H H 89 7.882 7.882 7.615 0.267 18412 6913 1 17 . 1 1 2 2 ALA N N 2 124.384 124.384 124.334 0.050 18412 6914 1 17 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.180 0.019 18412 6915 1 17 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.084 -0.432 18412 6916 1 17 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.883 0.502 18412 6917 1 17 . 1 1 2 2 ALA H H 2 8.326 8.326 8.451 -0.125 18412 6918 1 17 . 1 1 3 3 GLU N N 3 118.800 118.800 118.301 0.499 18412 6919 1 17 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.067 0.131 18412 6920 1 17 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.673 -0.269 18412 6921 1 17 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.329 0.227 18412 6922 1 17 . 1 1 3 3 GLU H H 3 8.411 8.411 9.074 -0.663 18412 6923 1 17 . 1 1 4 4 TYR N N 4 123.838 123.838 120.560 3.278 18412 6924 1 17 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.602 0.402 18412 6925 1 17 . 1 1 4 4 TYR CA C 4 60.632 60.632 59.884 0.748 18412 6926 1 17 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.706 0.696 18412 6927 1 17 . 1 1 4 4 TYR H H 4 8.448 8.448 8.384 0.064 18412 6928 1 17 . 1 1 5 5 GLY N N 5 105.816 105.816 106.200 -0.384 18412 6929 1 17 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.359 -0.217 18412 6930 1 17 . 1 1 5 5 GLY H H 5 8.250 8.250 8.499 -0.249 18412 6931 1 17 . 1 1 6 6 THR N N 6 119.523 119.523 119.548 -0.025 18412 6932 1 17 . 1 1 6 6 THR HA H 6 3.802 3.802 3.863 -0.061 18412 6933 1 17 . 1 1 6 6 THR CA C 6 66.449 66.449 66.098 0.351 18412 6934 1 17 . 1 1 6 6 THR CB C 6 68.391 68.391 68.951 -0.560 18412 6935 1 17 . 1 1 6 6 THR H H 6 7.868 7.868 8.002 -0.134 18412 6936 1 17 . 1 1 7 7 LEU N N 7 123.502 123.502 122.936 0.566 18412 6937 1 17 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.816 0.423 18412 6938 1 17 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.033 0.192 18412 6939 1 17 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.223 -1.470 18412 6940 1 17 . 1 1 7 7 LEU H H 7 7.594 7.594 7.894 -0.300 18412 6941 1 17 . 1 1 8 8 LEU N N 8 115.222 115.222 117.478 -2.256 18412 6942 1 17 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.312 -0.039 18412 6943 1 17 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.020 0.114 18412 6944 1 17 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.995 0.141 18412 6945 1 17 . 1 1 8 8 LEU H H 8 7.654 7.654 7.630 0.024 18412 6946 1 17 . 1 1 9 9 GLN N N 9 120.743 120.743 119.431 1.312 18412 6947 1 17 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.930 -0.051 18412 6948 1 17 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.221 -0.445 18412 6949 1 17 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.142 0.786 18412 6950 1 17 . 1 1 9 9 GLN H H 9 7.688 7.688 7.579 0.109 18412 6951 1 17 . 1 1 10 10 ASP N N 10 122.554 122.554 120.609 1.945 18412 6952 1 17 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.367 -0.034 18412 6953 1 17 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.318 0.359 18412 6954 1 17 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.343 -0.405 18412 6955 1 17 . 1 1 10 10 ASP H H 10 8.656 8.656 8.150 0.506 18412 6956 1 17 . 1 1 11 11 LEU N N 11 119.408 119.408 117.053 2.355 18412 6957 1 17 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.353 -0.467 18412 6958 1 17 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.560 0.925 18412 6959 1 17 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.110 2.143 18412 6960 1 17 . 1 1 11 11 LEU H H 11 8.805 8.805 7.687 1.118 18412 6961 1 17 . 1 1 12 12 THR N N 12 113.945 113.945 115.975 -2.030 18412 6962 1 17 . 1 1 12 12 THR HA H 12 3.875 3.875 4.076 -0.201 18412 6963 1 17 . 1 1 12 12 THR CA C 12 67.829 67.829 67.201 0.628 18412 6964 1 17 . 1 1 12 12 THR CB C 12 68.521 68.521 68.732 -0.211 18412 6965 1 17 . 1 1 12 12 THR H H 12 8.305 8.305 8.066 0.239 18412 6966 1 17 . 1 1 13 13 ASN N N 13 119.138 119.138 118.572 0.566 18412 6967 1 17 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.558 0.032 18412 6968 1 17 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.741 -1.091 18412 6969 1 17 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.392 -0.129 18412 6970 1 17 . 1 1 13 13 ASN H H 13 8.180 8.180 8.325 -0.145 18412 6971 1 17 . 1 1 14 14 ASN N N 14 117.905 117.905 115.718 2.187 18412 6972 1 17 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.714 0.112 18412 6973 1 17 . 1 1 14 14 ASN CA C 14 53.358 53.358 52.870 0.488 18412 6974 1 17 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.086 2.372 18412 6975 1 17 . 1 1 14 14 ASN H H 14 7.778 7.778 7.522 0.256 18412 6976 1 17 . 1 1 15 15 ILE N N 15 120.690 120.690 121.680 -0.990 18412 6977 1 17 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.136 0.575 18412 6978 1 17 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.425 0.452 18412 6979 1 17 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.519 4.825 18412 6980 1 17 . 1 1 15 15 ILE H H 15 7.234 7.234 7.349 -0.115 18412 6981 1 17 . 1 1 16 16 THR N N 16 120.066 120.066 119.064 1.002 18412 6982 1 17 . 1 1 16 16 THR HA H 16 4.536 4.536 4.584 -0.048 18412 6983 1 17 . 1 1 16 16 THR CA C 16 60.804 60.804 59.997 0.807 18412 6984 1 17 . 1 1 16 16 THR CB C 16 71.263 71.263 71.630 -0.367 18412 6985 1 17 . 1 1 16 16 THR H H 16 9.188 9.188 7.840 1.348 18412 6986 1 17 . 1 1 17 17 LEU N N 17 121.043 121.043 123.642 -2.599 18412 6987 1 17 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.924 0.072 18412 6988 1 17 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.754 -0.061 18412 6989 1 17 . 1 1 17 17 LEU CB C 17 41.327 41.327 40.712 0.615 18412 6990 1 17 . 1 1 17 17 LEU H H 17 8.662 8.662 8.943 -0.281 18412 6991 1 17 . 1 1 18 18 GLU N N 18 118.968 118.968 119.479 -0.511 18412 6992 1 17 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.988 -0.041 18412 6993 1 17 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.534 0.452 18412 6994 1 17 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.301 -0.153 18412 6995 1 17 . 1 1 18 18 GLU H H 18 8.374 8.374 8.596 -0.222 18412 6996 1 17 . 1 1 19 19 ASP N N 19 121.542 121.542 121.208 0.334 18412 6997 1 17 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.336 -0.193 18412 6998 1 17 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.345 -0.754 18412 6999 1 17 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.435 0.877 18412 7000 1 17 . 1 1 19 19 ASP H H 19 7.857 7.857 8.281 -0.424 18412 7001 1 17 . 1 1 20 20 LEU N N 20 120.904 120.904 120.174 0.730 18412 7002 1 17 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.610 -0.193 18412 7003 1 17 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.355 -1.441 18412 7004 1 17 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.613 -0.511 18412 7005 1 17 . 1 1 20 20 LEU H H 20 8.412 8.412 8.665 -0.253 18412 7006 1 17 . 1 1 21 21 GLU N N 21 117.187 117.187 118.316 -1.129 18412 7007 1 17 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.784 0.014 18412 7008 1 17 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.569 -0.298 18412 7009 1 17 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.169 -0.252 18412 7010 1 17 . 1 1 21 21 GLU H H 21 7.462 7.462 8.338 -0.876 18412 7011 1 17 . 1 1 22 22 GLN N N 22 118.617 118.617 120.362 -1.745 18412 7012 1 17 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.086 -0.067 18412 7013 1 17 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.290 0.297 18412 7014 1 17 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.305 -0.070 18412 7015 1 17 . 1 1 22 22 GLN H H 22 7.135 7.135 8.011 -0.876 18412 7016 1 17 . 1 1 23 23 LEU N N 23 121.325 121.325 120.409 0.916 18412 7017 1 17 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.763 -0.058 18412 7018 1 17 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.832 -0.047 18412 7019 1 17 . 1 1 23 23 LEU CB C 23 39.620 39.620 40.988 -1.368 18412 7020 1 17 . 1 1 23 23 LEU H H 23 7.833 7.833 8.643 -0.810 18412 7021 1 17 . 1 1 24 24 LYS N N 24 116.045 116.045 118.807 -2.762 18412 7022 1 17 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.755 -0.105 18412 7023 1 17 . 1 1 24 24 LYS CA C 24 60.545 60.545 58.541 2.004 18412 7024 1 17 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.481 0.331 18412 7025 1 17 . 1 1 24 24 LYS H H 24 8.307 8.307 8.264 0.043 18412 7026 1 17 . 1 1 25 25 SER N N 25 116.071 116.071 115.416 0.655 18412 7027 1 17 . 1 1 25 25 SER HA H 25 4.111 4.111 4.150 -0.039 18412 7028 1 17 . 1 1 25 25 SER CA C 25 61.557 61.557 61.561 -0.004 18412 7029 1 17 . 1 1 25 25 SER CB C 25 62.565 62.565 62.730 -0.165 18412 7030 1 17 . 1 1 25 25 SER H H 25 7.781 7.781 7.989 -0.208 18412 7031 1 17 . 1 1 26 26 ALA N N 26 123.448 123.448 124.451 -1.003 18412 7032 1 17 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.136 0.039 18412 7033 1 17 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.877 -0.628 18412 7034 1 17 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.496 0.217 18412 7035 1 17 . 1 1 26 26 ALA H H 26 7.735 7.735 7.898 -0.163 18412 7036 1 17 . 1 1 27 27 CYS N N 27 113.480 113.480 115.792 -2.312 18412 7037 1 17 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.493 0.138 18412 7038 1 17 . 1 1 27 27 CYS CA C 27 59.381 59.381 59.225 0.156 18412 7039 1 17 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.078 2.556 18412 7040 1 17 . 1 1 27 27 CYS H H 27 7.390 7.390 8.385 -0.995 18412 7041 1 17 . 1 1 28 28 LYS N N 28 118.354 118.354 120.734 -2.380 18412 7042 1 17 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.049 -0.104 18412 7043 1 17 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.265 -0.845 18412 7044 1 17 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.624 -0.077 18412 7045 1 17 . 1 1 28 28 LYS H H 28 7.634 7.634 7.276 0.358 18412 7046 1 17 . 1 1 29 29 GLU N N 29 118.875 118.875 118.014 0.861 18412 7047 1 17 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.203 -0.046 18412 7048 1 17 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.320 -0.080 18412 7049 1 17 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.382 -0.518 18412 7050 1 17 . 1 1 29 29 GLU H H 29 8.552 8.552 8.468 0.084 18412 7051 1 17 . 1 1 30 30 ASP N N 30 117.610 117.610 118.243 -0.633 18412 7052 1 17 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.585 0.003 18412 7053 1 17 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.741 0.142 18412 7054 1 17 . 1 1 30 30 ASP CB C 30 41.527 41.527 42.060 -0.533 18412 7055 1 17 . 1 1 30 30 ASP H H 30 7.962 7.962 7.573 0.389 18412 7056 1 17 . 1 1 31 31 ILE N N 31 116.930 116.930 121.788 -4.858 18412 7057 1 17 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.665 -0.298 18412 7058 1 17 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.509 0.524 18412 7059 1 17 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.433 -0.664 18412 7060 1 17 . 1 1 31 31 ILE H H 31 7.317 7.317 8.328 -1.011 18412 7061 1 17 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.629 -0.168 18412 7062 1 17 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.875 -0.030 18412 7063 1 17 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.438 0.076 18412 7064 1 17 . 1 1 33 33 SER N N 33 119.808 119.808 119.049 0.759 18412 7065 1 17 . 1 1 33 33 SER HA H 33 4.141 4.141 3.935 0.206 18412 7066 1 17 . 1 1 33 33 SER CA C 33 61.125 61.125 62.387 -1.262 18412 7067 1 17 . 1 1 33 33 SER CB C 33 63.000 63.000 63.023 -0.023 18412 7068 1 17 . 1 1 33 33 SER H H 33 8.778 8.778 8.914 -0.136 18412 7069 1 17 . 1 1 34 34 GLU N N 34 120.906 120.906 120.199 0.707 18412 7070 1 17 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.046 0.159 18412 7071 1 17 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.162 -0.462 18412 7072 1 17 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.345 -0.633 18412 7073 1 17 . 1 1 34 34 GLU H H 34 9.336 9.336 8.637 0.699 18412 7074 1 17 . 1 1 35 35 LYS N N 35 117.698 117.698 116.881 0.817 18412 7075 1 17 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.015 0.332 18412 7076 1 17 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.274 -1.814 18412 7077 1 17 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.553 0.704 18412 7078 1 17 . 1 1 35 35 LYS H H 35 7.659 7.659 7.705 -0.046 18412 7079 1 17 . 1 1 36 36 SER N N 36 114.472 114.472 115.301 -0.829 18412 7080 1 17 . 1 1 36 36 SER HA H 36 3.652 3.652 4.070 -0.418 18412 7081 1 17 . 1 1 36 36 SER CA C 36 61.450 61.450 61.501 -0.051 18412 7082 1 17 . 1 1 36 36 SER CB C 36 62.820 62.820 62.961 -0.141 18412 7083 1 17 . 1 1 36 36 SER H H 36 7.732 7.732 8.533 -0.801 18412 7084 1 17 . 1 1 37 37 GLU N N 37 118.258 118.258 120.534 -2.276 18412 7085 1 17 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.053 -0.083 18412 7086 1 17 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.645 -0.532 18412 7087 1 17 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.556 -0.012 18412 7088 1 17 . 1 1 37 37 GLU H H 37 8.187 8.187 7.732 0.455 18412 7089 1 17 . 1 1 38 38 GLU N N 38 115.652 115.652 117.157 -1.505 18412 7090 1 17 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.227 -0.031 18412 7091 1 17 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.820 -0.326 18412 7092 1 17 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.666 0.436 18412 7093 1 17 . 1 1 38 38 GLU H H 38 7.472 7.472 7.637 -0.165 18412 7094 1 17 . 1 1 39 39 ILE N N 39 121.367 121.367 122.961 -1.594 18412 7095 1 17 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.076 -0.091 18412 7096 1 17 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.094 -0.175 18412 7097 1 17 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.817 1.587 18412 7098 1 17 . 1 1 39 39 ILE H H 39 7.504 7.504 7.146 0.358 18412 7099 1 17 . 1 1 40 40 THR N N 40 115.102 115.102 116.700 -1.598 18412 7100 1 17 . 1 1 40 40 THR HA H 40 4.459 4.459 4.337 0.122 18412 7101 1 17 . 1 1 40 40 THR CA C 40 61.169 61.169 62.312 -1.143 18412 7102 1 17 . 1 1 40 40 THR CB C 40 69.913 69.913 69.192 0.722 18412 7103 1 17 . 1 1 40 40 THR H H 40 8.173 8.173 7.922 0.251 18412 7104 1 17 . 1 1 41 41 THR N N 41 108.664 108.664 112.556 -3.892 18412 7105 1 17 . 1 1 41 41 THR HA H 41 4.602 4.602 4.548 0.054 18412 7106 1 17 . 1 1 41 41 THR CA C 41 59.116 59.116 60.944 -1.828 18412 7107 1 17 . 1 1 41 41 THR CB C 41 73.442 73.442 70.593 2.849 18412 7108 1 17 . 1 1 41 41 THR H H 41 7.104 7.104 7.304 -0.200 18412 7109 1 17 . 1 1 42 42 GLY N N 42 109.200 109.200 111.750 -2.550 18412 7110 1 17 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.241 0.270 18412 7111 1 17 . 1 1 42 42 GLY H H 42 9.196 9.196 9.006 0.190 18412 7112 1 17 . 1 1 43 43 SER N N 43 114.564 114.564 117.301 -2.737 18412 7113 1 17 . 1 1 43 43 SER HA H 43 4.360 4.360 4.332 0.028 18412 7114 1 17 . 1 1 43 43 SER CA C 43 61.523 61.523 61.495 0.028 18412 7115 1 17 . 1 1 43 43 SER CB C 43 62.448 62.448 63.211 -0.763 18412 7116 1 17 . 1 1 43 43 SER H H 43 8.208 8.208 8.336 -0.128 18412 7117 1 17 . 1 1 44 44 ALA N N 44 123.757 123.757 124.581 -0.824 18412 7118 1 17 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.208 0.073 18412 7119 1 17 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.902 -0.376 18412 7120 1 17 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.237 1.096 18412 7121 1 17 . 1 1 44 44 ALA H H 44 7.964 7.964 8.041 -0.077 18412 7122 1 17 . 1 1 45 45 TRP N N 45 122.904 122.904 120.460 2.444 18412 7123 1 17 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.398 -0.170 18412 7124 1 17 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.489 1.141 18412 7125 1 17 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.195 -1.671 18412 7126 1 17 . 1 1 45 45 TRP H H 45 8.001 8.001 7.719 0.282 18412 7127 1 17 . 1 1 46 46 PHE N N 46 116.699 116.699 118.620 -1.921 18412 7128 1 17 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.684 0.202 18412 7129 1 17 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.019 -0.327 18412 7130 1 17 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.231 -0.386 18412 7131 1 17 . 1 1 46 46 PHE H H 46 8.250 8.250 7.774 0.476 18412 7132 1 17 . 1 1 47 47 SER N N 47 113.740 113.740 115.440 -1.700 18412 7133 1 17 . 1 1 47 47 SER HA H 47 4.419 4.419 4.168 0.251 18412 7134 1 17 . 1 1 47 47 SER CA C 47 61.723 61.723 62.052 -0.329 18412 7135 1 17 . 1 1 47 47 SER CB C 47 62.769 62.769 62.800 -0.031 18412 7136 1 17 . 1 1 47 47 SER H H 47 8.331 8.331 8.787 -0.456 18412 7137 1 17 . 1 1 48 48 PHE N N 48 124.310 124.310 124.161 0.149 18412 7138 1 17 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.216 0.036 18412 7139 1 17 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.974 0.813 18412 7140 1 17 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.780 0.151 18412 7141 1 17 . 1 1 48 48 PHE H H 48 8.175 8.175 8.084 0.091 18412 7142 1 17 . 1 1 49 49 LEU N N 49 120.565 120.565 120.473 0.092 18412 7143 1 17 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.420 0.102 18412 7144 1 17 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.186 0.047 18412 7145 1 17 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.535 -0.010 18412 7146 1 17 . 1 1 49 49 LEU H H 49 8.212 8.212 8.502 -0.290 18412 7147 1 17 . 1 1 50 50 GLU N N 50 120.639 120.639 117.577 3.062 18412 7148 1 17 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.242 0.334 18412 7149 1 17 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.869 0.307 18412 7150 1 17 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.496 1.128 18412 7151 1 17 . 1 1 50 50 GLU H H 50 8.702 8.702 8.672 0.030 18412 7152 1 17 . 1 1 51 51 SER N N 51 116.044 116.044 113.166 2.878 18412 7153 1 17 . 1 1 51 51 SER HA H 51 4.178 4.178 4.297 -0.119 18412 7154 1 17 . 1 1 51 51 SER CA C 51 60.575 60.575 60.503 0.072 18412 7155 1 17 . 1 1 51 51 SER CB C 51 62.881 62.881 63.626 -0.745 18412 7156 1 17 . 1 1 51 51 SER H H 51 8.272 8.272 7.689 0.583 18412 7157 1 17 . 1 1 52 52 HIS N N 52 118.134 118.134 117.883 0.251 18412 7158 1 17 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.551 -0.147 18412 7159 1 17 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.940 2.477 18412 7160 1 17 . 1 1 52 52 HIS CB C 52 28.420 28.420 30.937 -2.517 18412 7161 1 17 . 1 1 52 52 HIS H H 52 7.217 7.217 7.413 -0.196 18412 7162 1 17 . 1 1 53 53 ASN N N 53 113.597 113.597 118.234 -4.637 18412 7163 1 17 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.697 -0.187 18412 7164 1 17 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.099 1.706 18412 7165 1 17 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.300 -0.537 18412 7166 1 17 . 1 1 53 53 ASN H H 53 7.893 7.893 8.739 -0.846 18412 7167 1 17 . 1 1 54 54 LYS N N 54 113.123 113.123 118.502 -5.379 18412 7168 1 17 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.360 -0.125 18412 7169 1 17 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.713 -1.450 18412 7170 1 17 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.381 0.164 18412 7171 1 17 . 1 1 54 54 LYS H H 54 8.082 8.082 7.542 0.540 18412 7172 1 17 . 1 1 55 55 LEU N N 55 120.215 120.215 120.003 0.212 18412 7173 1 17 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.579 0.076 18412 7174 1 17 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.959 0.308 18412 7175 1 17 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.722 2.655 18412 7176 1 17 . 1 1 55 55 LEU H H 55 6.882 6.882 7.694 -0.812 18412 7177 1 17 . 1 1 56 56 ASP N N 56 120.831 120.831 127.189 -6.358 18412 7178 1 17 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.703 -0.311 18412 7179 1 17 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.681 -1.015 18412 7180 1 17 . 1 1 56 56 ASP CB C 56 42.315 42.315 43.162 -0.847 18412 7181 1 17 . 1 1 56 56 ASP H H 56 8.078 8.078 8.598 -0.520 18412 7182 1 17 . 1 1 57 57 LYS N N 57 115.203 115.203 119.414 -4.211 18412 7183 1 17 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.106 -0.741 18412 7184 1 17 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.995 -0.343 18412 7185 1 17 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.397 -1.079 18412 7186 1 17 . 1 1 57 57 LYS H H 57 7.958 7.958 8.644 -0.686 18412 7187 1 17 . 1 1 58 58 ASP N N 58 118.074 118.074 114.780 3.294 18412 7188 1 17 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.369 0.588 18412 7189 1 17 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.466 -0.183 18412 7190 1 17 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.269 1.790 18412 7191 1 17 . 1 1 58 58 ASP H H 58 8.336 8.336 8.197 0.139 18412 7192 1 17 . 1 1 59 59 ASN N N 59 119.835 119.835 118.202 1.633 18412 7193 1 17 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.731 0.229 18412 7194 1 17 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.535 -0.806 18412 7195 1 17 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.779 0.098 18412 7196 1 17 . 1 1 59 59 ASN H H 59 7.850 7.850 8.220 -0.370 18412 7197 1 17 . 1 1 60 60 LEU N N 60 125.541 125.541 119.987 5.554 18412 7198 1 17 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.013 -0.453 18412 7199 1 17 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.210 -1.962 18412 7200 1 17 . 1 1 60 60 LEU CB C 60 42.190 42.190 43.105 -0.915 18412 7201 1 17 . 1 1 60 60 LEU H H 60 8.995 8.995 8.374 0.621 18412 7202 1 17 . 1 1 61 61 SER N N 61 114.344 114.344 118.240 -3.896 18412 7203 1 17 . 1 1 61 61 SER HA H 61 4.159 4.159 4.347 -0.188 18412 7204 1 17 . 1 1 61 61 SER CA C 61 62.002 62.002 61.850 0.152 18412 7205 1 17 . 1 1 61 61 SER CB C 61 62.987 62.987 62.942 0.045 18412 7206 1 17 . 1 1 61 61 SER H H 61 7.880 7.880 8.370 -0.490 18412 7207 1 17 . 1 1 62 62 TYR N N 62 125.087 125.087 121.467 3.620 18412 7208 1 17 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.322 -0.023 18412 7209 1 17 . 1 1 62 62 TYR CA C 62 62.205 62.205 60.027 2.178 18412 7210 1 17 . 1 1 62 62 TYR CB C 62 38.925 38.925 37.941 0.984 18412 7211 1 17 . 1 1 62 62 TYR H H 62 8.765 8.765 8.297 0.468 18412 7212 1 17 . 1 1 63 63 ILE N N 63 111.338 111.338 116.525 -5.187 18412 7213 1 17 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.408 0.234 18412 7214 1 17 . 1 1 63 63 ILE CA C 63 65.118 65.118 63.948 1.170 18412 7215 1 17 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.900 -0.517 18412 7216 1 17 . 1 1 63 63 ILE H H 63 7.631 7.631 7.574 0.057 18412 7217 1 17 . 1 1 64 64 GLU N N 64 121.049 121.049 122.122 -1.073 18412 7218 1 17 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.077 -0.352 18412 7219 1 17 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.207 0.688 18412 7220 1 17 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.649 0.589 18412 7221 1 17 . 1 1 64 64 GLU H H 64 7.987 7.987 8.532 -0.545 18412 7222 1 17 . 1 1 65 65 HIS N N 65 117.657 117.657 119.397 -1.740 18412 7223 1 17 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.501 -0.063 18412 7224 1 17 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.276 -0.255 18412 7225 1 17 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.730 -1.143 18412 7226 1 17 . 1 1 65 65 HIS H H 65 7.513 7.513 8.006 -0.493 18412 7227 1 17 . 1 1 66 66 ILE N N 66 118.281 118.281 119.052 -0.771 18412 7228 1 17 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.462 -0.035 18412 7229 1 17 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.647 -1.909 18412 7230 1 17 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.176 -1.090 18412 7231 1 17 . 1 1 66 66 ILE H H 66 7.924 7.924 7.717 0.207 18412 7232 1 17 . 1 1 67 67 PHE N N 67 121.084 121.084 117.164 3.920 18412 7233 1 17 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.077 0.389 18412 7234 1 17 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.700 -4.018 18412 7235 1 17 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.535 -0.857 18412 7236 1 17 . 1 1 67 67 PHE H H 67 8.737 8.737 7.969 0.768 18412 7237 1 17 . 1 1 68 68 GLU N N 68 120.739 120.739 119.745 0.994 18412 7238 1 17 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.137 -0.051 18412 7239 1 17 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.176 0.924 18412 7240 1 17 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.797 -0.062 18412 7241 1 17 . 1 1 68 68 GLU H H 68 8.228 8.228 7.911 0.317 18412 7242 1 17 . 1 1 69 69 ILE N N 69 117.535 117.535 113.208 4.327 18412 7243 1 17 . 1 1 69 69 ILE HA H 69 4.040 4.040 4.011 0.029 18412 7244 1 17 . 1 1 69 69 ILE CA C 69 64.231 64.231 62.924 1.307 18412 7245 1 17 . 1 1 69 69 ILE CB C 69 37.627 37.627 38.207 -0.580 18412 7246 1 17 . 1 1 69 69 ILE H H 69 8.393 8.393 7.838 0.555 18412 7247 1 17 . 1 1 70 70 SER N N 70 115.058 115.058 115.910 -0.852 18412 7248 1 17 . 1 1 70 70 SER HA H 70 4.419 4.419 4.355 0.064 18412 7249 1 17 . 1 1 70 70 SER CA C 70 58.502 58.502 57.606 0.896 18412 7250 1 17 . 1 1 70 70 SER CB C 70 63.029 63.029 64.213 -1.184 18412 7251 1 17 . 1 1 70 70 SER H H 70 7.857 7.857 8.001 -0.144 18412 7252 1 17 . 1 1 71 71 ARG N N 71 115.621 115.621 125.193 -9.572 18412 7253 1 17 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.257 -0.355 18412 7254 1 17 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.000 0.452 18412 7255 1 17 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.783 -1.433 18412 7256 1 17 . 1 1 71 71 ARG H H 71 7.753 7.753 8.614 -0.861 18412 7257 1 17 . 1 1 72 72 ARG N N 72 115.226 115.226 120.121 -4.895 18412 7258 1 17 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.922 0.152 18412 7259 1 17 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.785 -4.172 18412 7260 1 17 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.396 -1.834 18412 7261 1 17 . 1 1 72 72 ARG H H 72 8.006 8.006 8.321 -0.315 18412 7262 1 17 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.520 -0.183 18412 7263 1 17 . 1 1 73 73 PRO CA C 73 64.698 64.698 65.105 -0.407 18412 7264 1 17 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.822 -0.493 18412 7265 1 17 . 1 1 74 74 ASP N N 74 118.600 118.600 118.564 0.036 18412 7266 1 17 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.395 -0.215 18412 7267 1 17 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.359 -1.369 18412 7268 1 17 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.835 -1.800 18412 7269 1 17 . 1 1 74 74 ASP H H 74 9.152 9.152 8.778 0.374 18412 7270 1 17 . 1 1 75 75 LEU N N 75 120.762 120.762 120.426 0.336 18412 7271 1 17 . 1 1 75 75 LEU HA H 75 3.907 3.907 4.041 -0.134 18412 7272 1 17 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.257 -0.895 18412 7273 1 17 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.382 -2.743 18412 7274 1 17 . 1 1 75 75 LEU H H 75 7.044 7.044 7.501 -0.457 18412 7275 1 17 . 1 1 76 76 LEU N N 76 118.917 118.917 120.699 -1.782 18412 7276 1 17 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.986 0.132 18412 7277 1 17 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.856 -0.003 18412 7278 1 17 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.470 1.136 18412 7279 1 17 . 1 1 76 76 LEU H H 76 7.850 7.850 8.214 -0.364 18412 7280 1 17 . 1 1 77 77 THR N N 77 114.574 114.574 115.587 -1.013 18412 7281 1 17 . 1 1 77 77 THR HA H 77 3.830 3.830 3.857 -0.027 18412 7282 1 17 . 1 1 77 77 THR CA C 77 66.882 66.882 67.154 -0.272 18412 7283 1 17 . 1 1 77 77 THR CB C 77 68.991 68.991 68.536 0.455 18412 7284 1 17 . 1 1 77 77 THR H H 77 8.287 8.287 8.186 0.101 18412 7285 1 17 . 1 1 78 78 MET N N 78 118.873 118.873 119.152 -0.279 18412 7286 1 17 . 1 1 78 78 MET HA H 78 4.155 4.155 4.147 0.008 18412 7287 1 17 . 1 1 78 78 MET CA C 78 59.838 59.838 59.400 0.438 18412 7288 1 17 . 1 1 78 78 MET CB C 78 32.697 32.697 32.233 0.464 18412 7289 1 17 . 1 1 78 78 MET H H 78 7.032 7.032 7.636 -0.604 18412 7290 1 17 . 1 1 79 79 VAL N N 79 120.046 120.046 119.713 0.333 18412 7291 1 17 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.735 -0.014 18412 7292 1 17 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.229 0.752 18412 7293 1 17 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.568 0.464 18412 7294 1 17 . 1 1 79 79 VAL H H 79 7.633 7.633 7.475 0.158 18412 7295 1 17 . 1 1 80 80 VAL N N 80 121.510 121.510 120.929 0.581 18412 7296 1 17 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.628 -0.087 18412 7297 1 17 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.927 -0.822 18412 7298 1 17 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.581 0.266 18412 7299 1 17 . 1 1 80 80 VAL H H 80 8.601 8.601 8.576 0.025 18412 7300 1 17 . 1 1 81 81 ASP N N 81 121.760 121.760 119.496 2.264 18412 7301 1 17 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.324 0.029 18412 7302 1 17 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.298 0.378 18412 7303 1 17 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.952 -0.381 18412 7304 1 17 . 1 1 81 81 ASP H H 81 8.677 8.677 8.504 0.173 18412 7305 1 17 . 1 1 82 82 TYR N N 82 121.025 121.025 120.954 0.071 18412 7306 1 17 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.105 0.082 18412 7307 1 17 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.450 0.053 18412 7308 1 17 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.459 0.164 18412 7309 1 17 . 1 1 82 82 TYR H H 82 7.608 7.608 7.943 -0.335 18412 7310 1 17 . 1 1 83 83 ARG N N 83 119.379 119.379 118.714 0.665 18412 7311 1 17 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.747 -0.076 18412 7312 1 17 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.205 0.672 18412 7313 1 17 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.609 0.769 18412 7314 1 17 . 1 1 83 83 ARG H H 83 8.596 8.596 8.022 0.574 18412 7315 1 17 . 1 1 84 84 THR N N 84 113.330 113.330 116.277 -2.947 18412 7316 1 17 . 1 1 84 84 THR HA H 84 3.946 3.946 4.003 -0.057 18412 7317 1 17 . 1 1 84 84 THR CA C 84 65.316 65.316 66.846 -1.530 18412 7318 1 17 . 1 1 84 84 THR CB C 84 69.273 69.273 68.800 0.473 18412 7319 1 17 . 1 1 84 84 THR H H 84 8.305 8.305 7.904 0.401 18412 7320 1 17 . 1 1 85 85 ARG N N 85 121.457 121.457 121.699 -0.242 18412 7321 1 17 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.009 0.048 18412 7322 1 17 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.497 -0.592 18412 7323 1 17 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.270 1.535 18412 7324 1 17 . 1 1 85 85 ARG H H 85 7.949 7.949 8.522 -0.573 18412 7325 1 17 . 1 1 86 86 VAL N N 86 117.232 117.232 119.804 -2.572 18412 7326 1 17 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.852 -0.055 18412 7327 1 17 . 1 1 86 86 VAL CA C 86 64.264 64.264 64.645 -0.382 18412 7328 1 17 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.466 1.241 18412 7329 1 17 . 1 1 86 86 VAL H H 86 7.962 7.962 8.029 -0.067 18412 7330 1 17 . 1 1 87 87 LEU N N 87 120.870 120.870 122.077 -1.207 18412 7331 1 17 . 1 1 87 87 LEU HA H 87 4.158 4.158 4.019 0.139 18412 7332 1 17 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.148 -2.092 18412 7333 1 17 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.730 0.003 18412 7334 1 17 . 1 1 87 87 LEU H H 87 7.463 7.463 7.321 0.142 18412 7335 1 17 . 1 1 88 88 LYS N N 88 118.925 118.925 118.990 -0.065 18412 7336 1 17 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.120 0.048 18412 7337 1 17 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.433 -1.744 18412 7338 1 17 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.821 -0.699 18412 7339 1 17 . 1 1 88 88 LYS H H 88 7.602 7.602 8.187 -0.585 18412 7340 1 17 . 1 1 89 89 ILE N N 89 120.845 120.845 118.984 1.861 18412 7341 1 17 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.885 0.164 18412 7342 1 17 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.885 -1.018 18412 7343 1 17 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.674 -0.014 18412 7344 1 17 . 1 1 89 89 ILE H H 89 7.882 7.882 8.307 -0.425 18412 7345 1 18 . 1 1 2 2 ALA N N 2 124.384 124.384 122.551 1.833 18412 7346 1 18 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.158 0.041 18412 7347 1 18 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.289 -0.637 18412 7348 1 18 . 1 1 2 2 ALA CB C 2 18.385 18.385 18.552 -0.168 18412 7349 1 18 . 1 1 2 2 ALA H H 2 8.326 8.326 8.632 -0.306 18412 7350 1 18 . 1 1 3 3 GLU N N 3 118.800 118.800 118.094 0.706 18412 7351 1 18 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.057 0.141 18412 7352 1 18 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.469 -0.065 18412 7353 1 18 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.005 0.551 18412 7354 1 18 . 1 1 3 3 GLU H H 3 8.411 8.411 8.917 -0.506 18412 7355 1 18 . 1 1 4 4 TYR N N 4 123.838 123.838 120.638 3.200 18412 7356 1 18 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.555 0.449 18412 7357 1 18 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.315 0.318 18412 7358 1 18 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.638 0.764 18412 7359 1 18 . 1 1 4 4 TYR H H 4 8.448 8.448 8.381 0.067 18412 7360 1 18 . 1 1 5 5 GLY N N 5 105.816 105.816 106.036 -0.220 18412 7361 1 18 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.465 -0.323 18412 7362 1 18 . 1 1 5 5 GLY H H 5 8.250 8.250 7.932 0.318 18412 7363 1 18 . 1 1 6 6 THR N N 6 119.523 119.523 119.068 0.455 18412 7364 1 18 . 1 1 6 6 THR HA H 6 3.802 3.802 3.917 -0.115 18412 7365 1 18 . 1 1 6 6 THR CA C 6 66.449 66.449 65.981 0.468 18412 7366 1 18 . 1 1 6 6 THR CB C 6 68.391 68.391 68.781 -0.390 18412 7367 1 18 . 1 1 6 6 THR H H 6 7.868 7.868 7.559 0.309 18412 7368 1 18 . 1 1 7 7 LEU N N 7 123.502 123.502 123.257 0.245 18412 7369 1 18 . 1 1 7 7 LEU HA H 7 4.239 4.239 4.063 0.176 18412 7370 1 18 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.959 0.266 18412 7371 1 18 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.866 -1.113 18412 7372 1 18 . 1 1 7 7 LEU H H 7 7.594 7.594 8.289 -0.695 18412 7373 1 18 . 1 1 8 8 LEU N N 8 115.222 115.222 117.453 -2.231 18412 7374 1 18 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.347 -0.074 18412 7375 1 18 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.030 0.104 18412 7376 1 18 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.904 0.232 18412 7377 1 18 . 1 1 8 8 LEU H H 8 7.654 7.654 8.048 -0.394 18412 7378 1 18 . 1 1 9 9 GLN N N 9 120.743 120.743 119.112 1.631 18412 7379 1 18 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.950 -0.071 18412 7380 1 18 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.076 -0.300 18412 7381 1 18 . 1 1 9 9 GLN CB C 9 28.928 28.928 27.999 0.929 18412 7382 1 18 . 1 1 9 9 GLN H H 9 7.688 7.688 7.643 0.045 18412 7383 1 18 . 1 1 10 10 ASP N N 10 122.554 122.554 120.899 1.655 18412 7384 1 18 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.334 -0.001 18412 7385 1 18 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.366 0.311 18412 7386 1 18 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.290 -0.353 18412 7387 1 18 . 1 1 10 10 ASP H H 10 8.656 8.656 8.192 0.464 18412 7388 1 18 . 1 1 11 11 LEU N N 11 119.408 119.408 117.626 1.782 18412 7389 1 18 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.174 -0.288 18412 7390 1 18 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.092 0.393 18412 7391 1 18 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.057 2.196 18412 7392 1 18 . 1 1 11 11 LEU H H 11 8.805 8.805 7.752 1.053 18412 7393 1 18 . 1 1 12 12 THR N N 12 113.945 113.945 115.553 -1.608 18412 7394 1 18 . 1 1 12 12 THR HA H 12 3.875 3.875 4.004 -0.129 18412 7395 1 18 . 1 1 12 12 THR CA C 12 67.829 67.829 67.180 0.649 18412 7396 1 18 . 1 1 12 12 THR CB C 12 68.521 68.521 68.544 -0.023 18412 7397 1 18 . 1 1 12 12 THR H H 12 8.305 8.305 8.165 0.140 18412 7398 1 18 . 1 1 13 13 ASN N N 13 119.138 119.138 116.145 2.993 18412 7399 1 18 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.586 0.004 18412 7400 1 18 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.306 -0.656 18412 7401 1 18 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.565 -0.302 18412 7402 1 18 . 1 1 13 13 ASN H H 13 8.180 8.180 8.378 -0.198 18412 7403 1 18 . 1 1 14 14 ASN N N 14 117.905 117.905 115.785 2.120 18412 7404 1 18 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.687 0.139 18412 7405 1 18 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.269 0.089 18412 7406 1 18 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.563 1.895 18412 7407 1 18 . 1 1 14 14 ASN H H 14 7.778 7.778 7.588 0.190 18412 7408 1 18 . 1 1 15 15 ILE N N 15 120.690 120.690 121.971 -1.281 18412 7409 1 18 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.068 0.643 18412 7410 1 18 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.906 -0.029 18412 7411 1 18 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.846 4.498 18412 7412 1 18 . 1 1 15 15 ILE H H 15 7.234 7.234 7.508 -0.274 18412 7413 1 18 . 1 1 16 16 THR N N 16 120.066 120.066 119.138 0.928 18412 7414 1 18 . 1 1 16 16 THR HA H 16 4.536 4.536 4.467 0.069 18412 7415 1 18 . 1 1 16 16 THR CA C 16 60.804 60.804 60.313 0.491 18412 7416 1 18 . 1 1 16 16 THR CB C 16 71.263 71.263 71.143 0.120 18412 7417 1 18 . 1 1 16 16 THR H H 16 9.188 9.188 8.145 1.043 18412 7418 1 18 . 1 1 17 17 LEU N N 17 121.043 121.043 123.186 -2.143 18412 7419 1 18 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.921 0.075 18412 7420 1 18 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.557 0.136 18412 7421 1 18 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.851 -0.524 18412 7422 1 18 . 1 1 17 17 LEU H H 17 8.662 8.662 8.838 -0.176 18412 7423 1 18 . 1 1 18 18 GLU N N 18 118.968 118.968 118.585 0.383 18412 7424 1 18 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.911 0.036 18412 7425 1 18 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.739 0.247 18412 7426 1 18 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.169 -0.021 18412 7427 1 18 . 1 1 18 18 GLU H H 18 8.374 8.374 8.383 -0.009 18412 7428 1 18 . 1 1 19 19 ASP N N 19 121.542 121.542 121.195 0.347 18412 7429 1 18 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.329 -0.186 18412 7430 1 18 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.666 -1.075 18412 7431 1 18 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.510 0.803 18412 7432 1 18 . 1 1 19 19 ASP H H 19 7.857 7.857 8.488 -0.631 18412 7433 1 18 . 1 1 20 20 LEU N N 20 120.904 120.904 119.684 1.220 18412 7434 1 18 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.620 -0.203 18412 7435 1 18 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.290 -1.376 18412 7436 1 18 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.615 -0.513 18412 7437 1 18 . 1 1 20 20 LEU H H 20 8.412 8.412 7.966 0.446 18412 7438 1 18 . 1 1 21 21 GLU N N 21 117.187 117.187 118.086 -0.899 18412 7439 1 18 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.749 0.049 18412 7440 1 18 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.596 -0.325 18412 7441 1 18 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.005 -0.088 18412 7442 1 18 . 1 1 21 21 GLU H H 21 7.462 7.462 7.791 -0.329 18412 7443 1 18 . 1 1 22 22 GLN N N 22 118.617 118.617 120.291 -1.674 18412 7444 1 18 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.045 -0.026 18412 7445 1 18 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.911 -0.324 18412 7446 1 18 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.579 -0.344 18412 7447 1 18 . 1 1 22 22 GLN H H 22 7.135 7.135 7.583 -0.448 18412 7448 1 18 . 1 1 23 23 LEU N N 23 121.325 121.325 120.403 0.922 18412 7449 1 18 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.883 -0.178 18412 7450 1 18 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.450 0.335 18412 7451 1 18 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.337 -1.717 18412 7452 1 18 . 1 1 23 23 LEU H H 23 7.833 7.833 7.709 0.124 18412 7453 1 18 . 1 1 24 24 LYS N N 24 116.045 116.045 118.735 -2.690 18412 7454 1 18 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.578 0.072 18412 7455 1 18 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.710 0.835 18412 7456 1 18 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.976 -0.164 18412 7457 1 18 . 1 1 24 24 LYS H H 24 8.307 8.307 8.365 -0.058 18412 7458 1 18 . 1 1 25 25 SER N N 25 116.071 116.071 115.437 0.634 18412 7459 1 18 . 1 1 25 25 SER HA H 25 4.111 4.111 4.076 0.035 18412 7460 1 18 . 1 1 25 25 SER CA C 25 61.557 61.557 61.882 -0.325 18412 7461 1 18 . 1 1 25 25 SER CB C 25 62.565 62.565 62.782 -0.217 18412 7462 1 18 . 1 1 25 25 SER H H 25 7.781 7.781 7.646 0.135 18412 7463 1 18 . 1 1 26 26 ALA N N 26 123.448 123.448 124.604 -1.156 18412 7464 1 18 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.039 0.136 18412 7465 1 18 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.796 -0.547 18412 7466 1 18 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.389 0.324 18412 7467 1 18 . 1 1 26 26 ALA H H 26 7.735 7.735 7.921 -0.186 18412 7468 1 18 . 1 1 27 27 CYS N N 27 113.480 113.480 115.483 -2.003 18412 7469 1 18 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.454 0.177 18412 7470 1 18 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.193 -0.812 18412 7471 1 18 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.569 2.065 18412 7472 1 18 . 1 1 27 27 CYS H H 27 7.390 7.390 8.267 -0.877 18412 7473 1 18 . 1 1 28 28 LYS N N 28 118.354 118.354 120.838 -2.484 18412 7474 1 18 . 1 1 28 28 LYS HA H 28 3.945 3.945 4.026 -0.081 18412 7475 1 18 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.112 -0.692 18412 7476 1 18 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.627 -0.080 18412 7477 1 18 . 1 1 28 28 LYS H H 28 7.634 7.634 7.335 0.299 18412 7478 1 18 . 1 1 29 29 GLU N N 29 118.875 118.875 117.743 1.132 18412 7479 1 18 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.196 -0.039 18412 7480 1 18 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.271 -0.031 18412 7481 1 18 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.627 -0.762 18412 7482 1 18 . 1 1 29 29 GLU H H 29 8.552 8.552 8.474 0.078 18412 7483 1 18 . 1 1 30 30 ASP N N 30 117.610 117.610 118.224 -0.614 18412 7484 1 18 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.628 -0.040 18412 7485 1 18 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.597 0.286 18412 7486 1 18 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.903 -0.376 18412 7487 1 18 . 1 1 30 30 ASP H H 30 7.962 7.962 7.629 0.333 18412 7488 1 18 . 1 1 31 31 ILE N N 31 116.930 116.930 122.398 -5.468 18412 7489 1 18 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.761 -0.394 18412 7490 1 18 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.473 0.560 18412 7491 1 18 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.946 -1.177 18412 7492 1 18 . 1 1 31 31 ILE H H 31 7.317 7.317 8.319 -1.002 18412 7493 1 18 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.592 -0.131 18412 7494 1 18 . 1 1 32 32 PRO CA C 32 62.845 62.845 63.123 -0.278 18412 7495 1 18 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.332 0.182 18412 7496 1 18 . 1 1 33 33 SER N N 33 119.808 119.808 119.628 0.180 18412 7497 1 18 . 1 1 33 33 SER HA H 33 4.141 4.141 3.942 0.199 18412 7498 1 18 . 1 1 33 33 SER CA C 33 61.125 61.125 62.032 -0.908 18412 7499 1 18 . 1 1 33 33 SER CB C 33 63.000 63.000 63.047 -0.047 18412 7500 1 18 . 1 1 33 33 SER H H 33 8.778 8.778 8.920 -0.142 18412 7501 1 18 . 1 1 34 34 GLU N N 34 120.906 120.906 119.272 1.634 18412 7502 1 18 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.055 0.150 18412 7503 1 18 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.862 -1.162 18412 7504 1 18 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.363 -0.651 18412 7505 1 18 . 1 1 34 34 GLU H H 34 9.336 9.336 8.723 0.613 18412 7506 1 18 . 1 1 35 35 LYS N N 35 117.698 117.698 117.859 -0.161 18412 7507 1 18 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.942 0.405 18412 7508 1 18 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.794 -2.334 18412 7509 1 18 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.527 0.730 18412 7510 1 18 . 1 1 35 35 LYS H H 35 7.659 7.659 7.817 -0.158 18412 7511 1 18 . 1 1 36 36 SER N N 36 114.472 114.472 115.364 -0.892 18412 7512 1 18 . 1 1 36 36 SER HA H 36 3.652 3.652 4.000 -0.348 18412 7513 1 18 . 1 1 36 36 SER CA C 36 61.450 61.450 61.648 -0.198 18412 7514 1 18 . 1 1 36 36 SER CB C 36 62.820 62.820 62.960 -0.140 18412 7515 1 18 . 1 1 36 36 SER H H 36 7.732 7.732 8.532 -0.800 18412 7516 1 18 . 1 1 37 37 GLU N N 37 118.258 118.258 119.505 -1.247 18412 7517 1 18 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.006 -0.036 18412 7518 1 18 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.576 -0.463 18412 7519 1 18 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.287 0.257 18412 7520 1 18 . 1 1 37 37 GLU H H 37 8.187 8.187 7.763 0.424 18412 7521 1 18 . 1 1 38 38 GLU N N 38 115.652 115.652 115.373 0.279 18412 7522 1 18 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.193 0.003 18412 7523 1 18 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.712 -0.218 18412 7524 1 18 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.518 0.584 18412 7525 1 18 . 1 1 38 38 GLU H H 38 7.472 7.472 7.620 -0.148 18412 7526 1 18 . 1 1 39 39 ILE N N 39 121.367 121.367 122.715 -1.348 18412 7527 1 18 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.069 -0.084 18412 7528 1 18 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.169 -0.250 18412 7529 1 18 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.945 1.459 18412 7530 1 18 . 1 1 39 39 ILE H H 39 7.504 7.504 7.191 0.313 18412 7531 1 18 . 1 1 40 40 THR N N 40 115.102 115.102 117.571 -2.469 18412 7532 1 18 . 1 1 40 40 THR HA H 40 4.459 4.459 4.389 0.070 18412 7533 1 18 . 1 1 40 40 THR CA C 40 61.169 61.169 62.339 -1.170 18412 7534 1 18 . 1 1 40 40 THR CB C 40 69.913 69.913 68.885 1.028 18412 7535 1 18 . 1 1 40 40 THR H H 40 8.173 8.173 8.104 0.069 18412 7536 1 18 . 1 1 41 41 THR N N 41 108.664 108.664 112.220 -3.556 18412 7537 1 18 . 1 1 41 41 THR HA H 41 4.602 4.602 4.498 0.104 18412 7538 1 18 . 1 1 41 41 THR CA C 41 59.116 59.116 60.474 -1.358 18412 7539 1 18 . 1 1 41 41 THR CB C 41 73.442 73.442 70.303 3.139 18412 7540 1 18 . 1 1 41 41 THR H H 41 7.104 7.104 7.324 -0.220 18412 7541 1 18 . 1 1 42 42 GLY N N 42 109.200 109.200 111.489 -2.289 18412 7542 1 18 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.282 0.230 18412 7543 1 18 . 1 1 42 42 GLY H H 42 9.196 9.196 9.015 0.181 18412 7544 1 18 . 1 1 43 43 SER N N 43 114.564 114.564 117.095 -2.531 18412 7545 1 18 . 1 1 43 43 SER HA H 43 4.360 4.360 4.325 0.035 18412 7546 1 18 . 1 1 43 43 SER CA C 43 61.523 61.523 61.898 -0.375 18412 7547 1 18 . 1 1 43 43 SER CB C 43 62.448 62.448 63.094 -0.646 18412 7548 1 18 . 1 1 43 43 SER H H 43 8.208 8.208 8.385 -0.177 18412 7549 1 18 . 1 1 44 44 ALA N N 44 123.757 123.757 124.539 -0.782 18412 7550 1 18 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.215 0.066 18412 7551 1 18 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.905 -0.379 18412 7552 1 18 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.276 1.056 18412 7553 1 18 . 1 1 44 44 ALA H H 44 7.964 7.964 7.977 -0.013 18412 7554 1 18 . 1 1 45 45 TRP N N 45 122.904 122.904 120.588 2.316 18412 7555 1 18 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.392 -0.164 18412 7556 1 18 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.327 1.303 18412 7557 1 18 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.146 -1.623 18412 7558 1 18 . 1 1 45 45 TRP H H 45 8.001 8.001 7.739 0.262 18412 7559 1 18 . 1 1 46 46 PHE N N 46 116.699 116.699 118.184 -1.485 18412 7560 1 18 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.583 0.303 18412 7561 1 18 . 1 1 46 46 PHE CA C 46 61.692 61.692 62.003 -0.311 18412 7562 1 18 . 1 1 46 46 PHE CB C 46 37.845 37.845 37.930 -0.085 18412 7563 1 18 . 1 1 46 46 PHE H H 46 8.250 8.250 8.046 0.204 18412 7564 1 18 . 1 1 47 47 SER N N 47 113.740 113.740 115.856 -2.116 18412 7565 1 18 . 1 1 47 47 SER HA H 47 4.419 4.419 4.454 -0.035 18412 7566 1 18 . 1 1 47 47 SER CA C 47 61.723 61.723 61.438 0.284 18412 7567 1 18 . 1 1 47 47 SER CB C 47 62.769 62.769 62.607 0.162 18412 7568 1 18 . 1 1 47 47 SER H H 47 8.331 8.331 8.740 -0.409 18412 7569 1 18 . 1 1 48 48 PHE N N 48 124.310 124.310 124.232 0.078 18412 7570 1 18 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.211 0.041 18412 7571 1 18 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.833 0.954 18412 7572 1 18 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.717 0.214 18412 7573 1 18 . 1 1 48 48 PHE H H 48 8.175 8.175 7.999 0.176 18412 7574 1 18 . 1 1 49 49 LEU N N 49 120.565 120.565 120.393 0.172 18412 7575 1 18 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.272 0.250 18412 7576 1 18 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.049 0.184 18412 7577 1 18 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.458 0.067 18412 7578 1 18 . 1 1 49 49 LEU H H 49 8.212 8.212 8.434 -0.222 18412 7579 1 18 . 1 1 50 50 GLU N N 50 120.639 120.639 117.594 3.045 18412 7580 1 18 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.215 0.361 18412 7581 1 18 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.878 0.298 18412 7582 1 18 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.480 1.144 18412 7583 1 18 . 1 1 50 50 GLU H H 50 8.702 8.702 8.623 0.079 18412 7584 1 18 . 1 1 51 51 SER N N 51 116.044 116.044 113.228 2.816 18412 7585 1 18 . 1 1 51 51 SER HA H 51 4.178 4.178 4.310 -0.132 18412 7586 1 18 . 1 1 51 51 SER CA C 51 60.575 60.575 60.520 0.055 18412 7587 1 18 . 1 1 51 51 SER CB C 51 62.881 62.881 63.663 -0.782 18412 7588 1 18 . 1 1 51 51 SER H H 51 8.272 8.272 7.653 0.619 18412 7589 1 18 . 1 1 52 52 HIS N N 52 118.134 118.134 118.538 -0.404 18412 7590 1 18 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.614 -0.210 18412 7591 1 18 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.890 2.527 18412 7592 1 18 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.104 -2.684 18412 7593 1 18 . 1 1 52 52 HIS H H 52 7.217 7.217 7.519 -0.302 18412 7594 1 18 . 1 1 53 53 ASN N N 53 113.597 113.597 120.542 -6.945 18412 7595 1 18 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.695 -0.185 18412 7596 1 18 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.697 1.109 18412 7597 1 18 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.346 -0.583 18412 7598 1 18 . 1 1 53 53 ASN H H 53 7.893 7.893 8.885 -0.992 18412 7599 1 18 . 1 1 54 54 LYS N N 54 113.123 113.123 119.033 -5.910 18412 7600 1 18 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.429 -0.194 18412 7601 1 18 . 1 1 54 54 LYS CA C 54 54.263 54.263 56.029 -1.766 18412 7602 1 18 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.837 -0.292 18412 7603 1 18 . 1 1 54 54 LYS H H 54 8.082 8.082 7.851 0.231 18412 7604 1 18 . 1 1 55 55 LEU N N 55 120.215 120.215 119.912 0.303 18412 7605 1 18 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.602 0.053 18412 7606 1 18 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.715 0.552 18412 7607 1 18 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.778 2.599 18412 7608 1 18 . 1 1 55 55 LEU H H 55 6.882 6.882 7.440 -0.558 18412 7609 1 18 . 1 1 56 56 ASP N N 56 120.831 120.831 127.712 -6.881 18412 7610 1 18 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.720 -0.328 18412 7611 1 18 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.658 0.008 18412 7612 1 18 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.730 -0.415 18412 7613 1 18 . 1 1 56 56 ASP H H 56 8.078 8.078 8.535 -0.457 18412 7614 1 18 . 1 1 57 57 LYS N N 57 115.203 115.203 119.269 -4.066 18412 7615 1 18 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.205 -0.840 18412 7616 1 18 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.996 -0.344 18412 7617 1 18 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.369 -1.051 18412 7618 1 18 . 1 1 57 57 LYS H H 57 7.958 7.958 8.614 -0.656 18412 7619 1 18 . 1 1 58 58 ASP N N 58 118.074 118.074 113.595 4.479 18412 7620 1 18 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.385 0.572 18412 7621 1 18 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.518 -0.235 18412 7622 1 18 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.698 2.361 18412 7623 1 18 . 1 1 58 58 ASP H H 58 8.336 8.336 7.918 0.418 18412 7624 1 18 . 1 1 59 59 ASN N N 59 119.835 119.835 118.628 1.207 18412 7625 1 18 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.766 0.194 18412 7626 1 18 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.548 -0.819 18412 7627 1 18 . 1 1 59 59 ASN CB C 59 38.877 38.877 39.409 -0.532 18412 7628 1 18 . 1 1 59 59 ASN H H 59 7.850 7.850 8.082 -0.232 18412 7629 1 18 . 1 1 60 60 LEU N N 60 125.541 125.541 120.685 4.856 18412 7630 1 18 . 1 1 60 60 LEU HA H 60 4.560 4.560 4.990 -0.430 18412 7631 1 18 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.755 -2.507 18412 7632 1 18 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.458 -0.268 18412 7633 1 18 . 1 1 60 60 LEU H H 60 8.995 8.995 8.383 0.612 18412 7634 1 18 . 1 1 61 61 SER N N 61 114.344 114.344 117.553 -3.209 18412 7635 1 18 . 1 1 61 61 SER HA H 61 4.159 4.159 4.357 -0.198 18412 7636 1 18 . 1 1 61 61 SER CA C 61 62.002 62.002 61.378 0.624 18412 7637 1 18 . 1 1 61 61 SER CB C 61 62.987 62.987 62.831 0.156 18412 7638 1 18 . 1 1 61 61 SER H H 61 7.880 7.880 8.158 -0.278 18412 7639 1 18 . 1 1 62 62 TYR N N 62 125.087 125.087 122.864 2.223 18412 7640 1 18 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.305 -0.006 18412 7641 1 18 . 1 1 62 62 TYR CA C 62 62.205 62.205 59.111 3.094 18412 7642 1 18 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.050 0.875 18412 7643 1 18 . 1 1 62 62 TYR H H 62 8.765 8.765 8.196 0.569 18412 7644 1 18 . 1 1 63 63 ILE N N 63 111.338 111.338 116.417 -5.079 18412 7645 1 18 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.582 0.060 18412 7646 1 18 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.131 0.987 18412 7647 1 18 . 1 1 63 63 ILE CB C 63 37.383 37.383 37.910 -0.527 18412 7648 1 18 . 1 1 63 63 ILE H H 63 7.631 7.631 7.694 -0.063 18412 7649 1 18 . 1 1 64 64 GLU N N 64 121.049 121.049 122.061 -1.012 18412 7650 1 18 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.119 -0.394 18412 7651 1 18 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.183 0.712 18412 7652 1 18 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.663 0.575 18412 7653 1 18 . 1 1 64 64 GLU H H 64 7.987 7.987 8.418 -0.431 18412 7654 1 18 . 1 1 65 65 HIS N N 65 117.657 117.657 119.298 -1.641 18412 7655 1 18 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.346 0.092 18412 7656 1 18 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.470 -0.448 18412 7657 1 18 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.783 -1.196 18412 7658 1 18 . 1 1 65 65 HIS H H 65 7.513 7.513 7.950 -0.437 18412 7659 1 18 . 1 1 66 66 ILE N N 66 118.281 118.281 119.108 -0.827 18412 7660 1 18 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.561 -0.134 18412 7661 1 18 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.696 -1.958 18412 7662 1 18 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.220 -1.134 18412 7663 1 18 . 1 1 66 66 ILE H H 66 7.924 7.924 7.715 0.209 18412 7664 1 18 . 1 1 67 67 PHE N N 67 121.084 121.084 116.450 4.634 18412 7665 1 18 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.184 0.282 18412 7666 1 18 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.157 -3.475 18412 7667 1 18 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.720 -1.042 18412 7668 1 18 . 1 1 67 67 PHE H H 67 8.737 8.737 8.005 0.732 18412 7669 1 18 . 1 1 68 68 GLU N N 68 120.739 120.739 120.310 0.429 18412 7670 1 18 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.049 0.037 18412 7671 1 18 . 1 1 68 68 GLU CA C 68 60.100 60.100 59.147 0.953 18412 7672 1 18 . 1 1 68 68 GLU CB C 68 29.735 29.735 30.076 -0.341 18412 7673 1 18 . 1 1 68 68 GLU H H 68 8.228 8.228 7.644 0.584 18412 7674 1 18 . 1 1 69 69 ILE N N 69 117.535 117.535 114.149 3.386 18412 7675 1 18 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.874 0.166 18412 7676 1 18 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.001 1.230 18412 7677 1 18 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.928 -0.301 18412 7678 1 18 . 1 1 69 69 ILE H H 69 8.393 8.393 7.872 0.521 18412 7679 1 18 . 1 1 70 70 SER N N 70 115.058 115.058 115.974 -0.916 18412 7680 1 18 . 1 1 70 70 SER HA H 70 4.419 4.419 4.357 0.062 18412 7681 1 18 . 1 1 70 70 SER CA C 70 58.502 58.502 58.759 -0.257 18412 7682 1 18 . 1 1 70 70 SER CB C 70 63.029 63.029 64.055 -1.026 18412 7683 1 18 . 1 1 70 70 SER H H 70 7.857 7.857 7.656 0.201 18412 7684 1 18 . 1 1 71 71 ARG N N 71 115.621 115.621 125.683 -10.062 18412 7685 1 18 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.288 -0.386 18412 7686 1 18 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.228 1.224 18412 7687 1 18 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.967 -1.617 18412 7688 1 18 . 1 1 71 71 ARG H H 71 7.753 7.753 8.942 -1.189 18412 7689 1 18 . 1 1 72 72 ARG N N 72 115.226 115.226 120.146 -4.920 18412 7690 1 18 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.866 0.208 18412 7691 1 18 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.810 -4.197 18412 7692 1 18 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.169 -1.607 18412 7693 1 18 . 1 1 72 72 ARG H H 72 8.006 8.006 8.352 -0.346 18412 7694 1 18 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.559 -0.222 18412 7695 1 18 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.368 0.330 18412 7696 1 18 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.856 -0.527 18412 7697 1 18 . 1 1 74 74 ASP N N 74 118.600 118.600 118.003 0.597 18412 7698 1 18 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.422 -0.242 18412 7699 1 18 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.669 -1.679 18412 7700 1 18 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.226 -2.191 18412 7701 1 18 . 1 1 74 74 ASP H H 74 9.152 9.152 8.657 0.495 18412 7702 1 18 . 1 1 75 75 LEU N N 75 120.762 120.762 119.673 1.089 18412 7703 1 18 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.967 -0.060 18412 7704 1 18 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.030 -0.668 18412 7705 1 18 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.301 -2.662 18412 7706 1 18 . 1 1 75 75 LEU H H 75 7.044 7.044 7.425 -0.381 18412 7707 1 18 . 1 1 76 76 LEU N N 76 118.917 118.917 120.238 -1.321 18412 7708 1 18 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.962 0.156 18412 7709 1 18 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.634 0.219 18412 7710 1 18 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.394 1.212 18412 7711 1 18 . 1 1 76 76 LEU H H 76 7.850 7.850 7.519 0.331 18412 7712 1 18 . 1 1 77 77 THR N N 77 114.574 114.574 115.301 -0.727 18412 7713 1 18 . 1 1 77 77 THR HA H 77 3.830 3.830 3.936 -0.106 18412 7714 1 18 . 1 1 77 77 THR CA C 77 66.882 66.882 67.139 -0.257 18412 7715 1 18 . 1 1 77 77 THR CB C 77 68.991 68.991 68.345 0.646 18412 7716 1 18 . 1 1 77 77 THR H H 77 8.287 8.287 8.072 0.215 18412 7717 1 18 . 1 1 78 78 MET N N 78 118.873 118.873 118.189 0.684 18412 7718 1 18 . 1 1 78 78 MET HA H 78 4.155 4.155 4.221 -0.066 18412 7719 1 18 . 1 1 78 78 MET CA C 78 59.838 59.838 57.790 2.048 18412 7720 1 18 . 1 1 78 78 MET CB C 78 32.697 32.697 30.886 1.811 18412 7721 1 18 . 1 1 78 78 MET H H 78 7.032 7.032 7.478 -0.446 18412 7722 1 18 . 1 1 79 79 VAL N N 79 120.046 120.046 119.812 0.234 18412 7723 1 18 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.751 -0.030 18412 7724 1 18 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.296 0.685 18412 7725 1 18 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.517 0.515 18412 7726 1 18 . 1 1 79 79 VAL H H 79 7.633 7.633 7.594 0.039 18412 7727 1 18 . 1 1 80 80 VAL N N 80 121.510 121.510 121.155 0.355 18412 7728 1 18 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.640 -0.099 18412 7729 1 18 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.583 -0.478 18412 7730 1 18 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.357 0.490 18412 7731 1 18 . 1 1 80 80 VAL H H 80 8.601 8.601 8.582 0.019 18412 7732 1 18 . 1 1 81 81 ASP N N 81 121.760 121.760 119.817 1.943 18412 7733 1 18 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.328 0.025 18412 7734 1 18 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.706 -0.030 18412 7735 1 18 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.640 -0.069 18412 7736 1 18 . 1 1 81 81 ASP H H 81 8.677 8.677 8.628 0.049 18412 7737 1 18 . 1 1 82 82 TYR N N 82 121.025 121.025 121.599 -0.574 18412 7738 1 18 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.049 0.138 18412 7739 1 18 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.444 0.059 18412 7740 1 18 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.450 0.173 18412 7741 1 18 . 1 1 82 82 TYR H H 82 7.608 7.608 8.292 -0.684 18412 7742 1 18 . 1 1 83 83 ARG N N 83 119.379 119.379 118.658 0.721 18412 7743 1 18 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.654 0.017 18412 7744 1 18 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.561 0.316 18412 7745 1 18 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.738 0.640 18412 7746 1 18 . 1 1 83 83 ARG H H 83 8.596 8.596 8.116 0.480 18412 7747 1 18 . 1 1 84 84 THR N N 84 113.330 113.330 116.173 -2.843 18412 7748 1 18 . 1 1 84 84 THR HA H 84 3.946 3.946 4.014 -0.068 18412 7749 1 18 . 1 1 84 84 THR CA C 84 65.316 65.316 67.527 -2.211 18412 7750 1 18 . 1 1 84 84 THR CB C 84 69.273 69.273 68.626 0.647 18412 7751 1 18 . 1 1 84 84 THR H H 84 8.305 8.305 7.992 0.313 18412 7752 1 18 . 1 1 85 85 ARG N N 85 121.457 121.457 122.326 -0.869 18412 7753 1 18 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.049 0.008 18412 7754 1 18 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.319 -0.414 18412 7755 1 18 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.554 1.251 18412 7756 1 18 . 1 1 85 85 ARG H H 85 7.949 7.949 8.498 -0.549 18412 7757 1 18 . 1 1 86 86 VAL N N 86 117.232 117.232 120.466 -3.234 18412 7758 1 18 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.802 -0.005 18412 7759 1 18 . 1 1 86 86 VAL CA C 86 64.264 64.264 64.923 -0.659 18412 7760 1 18 . 1 1 86 86 VAL CB C 86 31.707 31.707 30.556 1.151 18412 7761 1 18 . 1 1 86 86 VAL H H 86 7.962 7.962 7.824 0.138 18412 7762 1 18 . 1 1 87 87 LEU N N 87 120.870 120.870 122.037 -1.167 18412 7763 1 18 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.999 0.159 18412 7764 1 18 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.092 -2.036 18412 7765 1 18 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.264 0.469 18412 7766 1 18 . 1 1 87 87 LEU H H 87 7.463 7.463 7.330 0.133 18412 7767 1 18 . 1 1 88 88 LYS N N 88 118.925 118.925 119.273 -0.348 18412 7768 1 18 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.108 0.060 18412 7769 1 18 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.154 -1.465 18412 7770 1 18 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.825 -0.703 18412 7771 1 18 . 1 1 88 88 LYS H H 88 7.602 7.602 7.939 -0.337 18412 7772 1 18 . 1 1 89 89 ILE N N 89 120.845 120.845 119.445 1.400 18412 7773 1 18 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.877 0.172 18412 7774 1 18 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.879 -1.012 18412 7775 1 18 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.515 0.145 18412 7776 1 18 . 1 1 89 89 ILE H H 89 7.882 7.882 7.643 0.239 18412 7777 1 19 . 1 1 2 2 ALA N N 2 124.384 124.384 123.833 0.551 18412 7778 1 19 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.186 0.013 18412 7779 1 19 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.247 -0.595 18412 7780 1 19 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.919 0.466 18412 7781 1 19 . 1 1 2 2 ALA H H 2 8.326 8.326 8.390 -0.064 18412 7782 1 19 . 1 1 3 3 GLU N N 3 118.800 118.800 118.317 0.483 18412 7783 1 19 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.099 0.099 18412 7784 1 19 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.722 -0.319 18412 7785 1 19 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.929 0.627 18412 7786 1 19 . 1 1 3 3 GLU H H 3 8.411 8.411 9.149 -0.739 18412 7787 1 19 . 1 1 4 4 TYR N N 4 123.838 123.838 120.502 3.336 18412 7788 1 19 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.714 0.290 18412 7789 1 19 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.297 0.335 18412 7790 1 19 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.741 0.661 18412 7791 1 19 . 1 1 4 4 TYR H H 4 8.448 8.448 8.334 0.114 18412 7792 1 19 . 1 1 5 5 GLY N N 5 105.816 105.816 106.237 -0.421 18412 7793 1 19 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.501 -0.359 18412 7794 1 19 . 1 1 5 5 GLY H H 5 8.250 8.250 8.259 -0.009 18412 7795 1 19 . 1 1 6 6 THR N N 6 119.523 119.523 119.077 0.446 18412 7796 1 19 . 1 1 6 6 THR HA H 6 3.802 3.802 3.915 -0.113 18412 7797 1 19 . 1 1 6 6 THR CA C 6 66.449 66.449 66.650 -0.201 18412 7798 1 19 . 1 1 6 6 THR CB C 6 68.391 68.391 68.787 -0.396 18412 7799 1 19 . 1 1 6 6 THR H H 6 7.868 7.868 8.005 -0.137 18412 7800 1 19 . 1 1 7 7 LEU N N 7 123.502 123.502 123.000 0.502 18412 7801 1 19 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.813 0.426 18412 7802 1 19 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.203 0.022 18412 7803 1 19 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.153 -1.399 18412 7804 1 19 . 1 1 7 7 LEU H H 7 7.594 7.594 7.974 -0.380 18412 7805 1 19 . 1 1 8 8 LEU N N 8 115.222 115.222 117.678 -2.456 18412 7806 1 19 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.277 -0.004 18412 7807 1 19 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.469 -0.335 18412 7808 1 19 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.962 0.174 18412 7809 1 19 . 1 1 8 8 LEU H H 8 7.654 7.654 7.503 0.151 18412 7810 1 19 . 1 1 9 9 GLN N N 9 120.743 120.743 118.825 1.918 18412 7811 1 19 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.955 -0.076 18412 7812 1 19 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.138 -0.362 18412 7813 1 19 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.115 0.813 18412 7814 1 19 . 1 1 9 9 GLN H H 9 7.688 7.688 7.449 0.239 18412 7815 1 19 . 1 1 10 10 ASP N N 10 122.554 122.554 120.681 1.873 18412 7816 1 19 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.366 -0.033 18412 7817 1 19 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.304 0.373 18412 7818 1 19 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.363 -0.426 18412 7819 1 19 . 1 1 10 10 ASP H H 10 8.656 8.656 8.258 0.398 18412 7820 1 19 . 1 1 11 11 LEU N N 11 119.408 119.408 116.928 2.480 18412 7821 1 19 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.265 -0.379 18412 7822 1 19 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.799 0.686 18412 7823 1 19 . 1 1 11 11 LEU CB C 11 43.253 43.253 40.854 2.399 18412 7824 1 19 . 1 1 11 11 LEU H H 11 8.805 8.805 7.747 1.058 18412 7825 1 19 . 1 1 12 12 THR N N 12 113.945 113.945 115.360 -1.415 18412 7826 1 19 . 1 1 12 12 THR HA H 12 3.875 3.875 4.049 -0.174 18412 7827 1 19 . 1 1 12 12 THR CA C 12 67.829 67.829 66.977 0.852 18412 7828 1 19 . 1 1 12 12 THR CB C 12 68.521 68.521 68.533 -0.012 18412 7829 1 19 . 1 1 12 12 THR H H 12 8.305 8.305 7.901 0.404 18412 7830 1 19 . 1 1 13 13 ASN N N 13 119.138 119.138 116.977 2.161 18412 7831 1 19 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.594 -0.004 18412 7832 1 19 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.298 -0.648 18412 7833 1 19 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.419 -0.156 18412 7834 1 19 . 1 1 13 13 ASN H H 13 8.180 8.180 8.072 0.108 18412 7835 1 19 . 1 1 14 14 ASN N N 14 117.905 117.905 116.284 1.621 18412 7836 1 19 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.689 0.137 18412 7837 1 19 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.733 -0.375 18412 7838 1 19 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.545 1.913 18412 7839 1 19 . 1 1 14 14 ASN H H 14 7.778 7.778 7.686 0.092 18412 7840 1 19 . 1 1 15 15 ILE N N 15 120.690 120.690 122.444 -1.754 18412 7841 1 19 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.093 0.618 18412 7842 1 19 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.786 0.091 18412 7843 1 19 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.709 4.635 18412 7844 1 19 . 1 1 15 15 ILE H H 15 7.234 7.234 7.491 -0.257 18412 7845 1 19 . 1 1 16 16 THR N N 16 120.066 120.066 118.629 1.437 18412 7846 1 19 . 1 1 16 16 THR HA H 16 4.536 4.536 4.489 0.047 18412 7847 1 19 . 1 1 16 16 THR CA C 16 60.804 60.804 60.401 0.403 18412 7848 1 19 . 1 1 16 16 THR CB C 16 71.263 71.263 71.190 0.073 18412 7849 1 19 . 1 1 16 16 THR H H 16 9.188 9.188 8.069 1.119 18412 7850 1 19 . 1 1 17 17 LEU N N 17 121.043 121.043 122.883 -1.840 18412 7851 1 19 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.926 0.070 18412 7852 1 19 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.653 0.040 18412 7853 1 19 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.841 -0.514 18412 7854 1 19 . 1 1 17 17 LEU H H 17 8.662 8.662 8.830 -0.168 18412 7855 1 19 . 1 1 18 18 GLU N N 18 118.968 118.968 118.243 0.725 18412 7856 1 19 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.860 0.087 18412 7857 1 19 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.771 0.215 18412 7858 1 19 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.217 -0.069 18412 7859 1 19 . 1 1 18 18 GLU H H 18 8.374 8.374 8.524 -0.150 18412 7860 1 19 . 1 1 19 19 ASP N N 19 121.542 121.542 121.201 0.341 18412 7861 1 19 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.320 -0.177 18412 7862 1 19 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.675 -1.083 18412 7863 1 19 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.530 0.782 18412 7864 1 19 . 1 1 19 19 ASP H H 19 7.857 7.857 8.607 -0.750 18412 7865 1 19 . 1 1 20 20 LEU N N 20 120.904 120.904 120.771 0.133 18412 7866 1 19 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.808 -0.391 18412 7867 1 19 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.292 -1.378 18412 7868 1 19 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.760 -0.658 18412 7869 1 19 . 1 1 20 20 LEU H H 20 8.412 8.412 8.349 0.063 18412 7870 1 19 . 1 1 21 21 GLU N N 21 117.187 117.187 118.638 -1.451 18412 7871 1 19 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.752 0.046 18412 7872 1 19 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.485 -0.214 18412 7873 1 19 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.134 -0.216 18412 7874 1 19 . 1 1 21 21 GLU H H 21 7.462 7.462 8.097 -0.635 18412 7875 1 19 . 1 1 22 22 GLN N N 22 118.617 118.617 120.253 -1.636 18412 7876 1 19 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.069 -0.050 18412 7877 1 19 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.479 0.108 18412 7878 1 19 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.266 -0.031 18412 7879 1 19 . 1 1 22 22 GLN H H 22 7.135 7.135 8.011 -0.876 18412 7880 1 19 . 1 1 23 23 LEU N N 23 121.325 121.325 120.382 0.943 18412 7881 1 19 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.746 -0.041 18412 7882 1 19 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.753 0.032 18412 7883 1 19 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.112 -1.492 18412 7884 1 19 . 1 1 23 23 LEU H H 23 7.833 7.833 7.809 0.024 18412 7885 1 19 . 1 1 24 24 LYS N N 24 116.045 116.045 118.629 -2.584 18412 7886 1 19 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.513 0.137 18412 7887 1 19 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.667 0.878 18412 7888 1 19 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.957 -0.145 18412 7889 1 19 . 1 1 24 24 LYS H H 24 8.307 8.307 8.334 -0.027 18412 7890 1 19 . 1 1 25 25 SER N N 25 116.071 116.071 115.404 0.667 18412 7891 1 19 . 1 1 25 25 SER HA H 25 4.111 4.111 4.117 -0.006 18412 7892 1 19 . 1 1 25 25 SER CA C 25 61.557 61.557 61.528 0.029 18412 7893 1 19 . 1 1 25 25 SER CB C 25 62.565 62.565 62.650 -0.085 18412 7894 1 19 . 1 1 25 25 SER H H 25 7.781 7.781 7.958 -0.177 18412 7895 1 19 . 1 1 26 26 ALA N N 26 123.448 123.448 124.608 -1.160 18412 7896 1 19 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.002 0.173 18412 7897 1 19 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.743 -0.494 18412 7898 1 19 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.272 0.441 18412 7899 1 19 . 1 1 26 26 ALA H H 26 7.735 7.735 7.947 -0.212 18412 7900 1 19 . 1 1 27 27 CYS N N 27 113.480 113.480 115.268 -1.788 18412 7901 1 19 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.368 0.263 18412 7902 1 19 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.271 -0.890 18412 7903 1 19 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.487 2.147 18412 7904 1 19 . 1 1 27 27 CYS H H 27 7.390 7.390 8.262 -0.872 18412 7905 1 19 . 1 1 28 28 LYS N N 28 118.354 118.354 120.677 -2.323 18412 7906 1 19 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.954 -0.009 18412 7907 1 19 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.299 -0.879 18412 7908 1 19 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.610 -0.063 18412 7909 1 19 . 1 1 28 28 LYS H H 28 7.634 7.634 7.260 0.374 18412 7910 1 19 . 1 1 29 29 GLU N N 29 118.875 118.875 117.672 1.203 18412 7911 1 19 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.201 -0.044 18412 7912 1 19 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.290 -0.050 18412 7913 1 19 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.647 -0.783 18412 7914 1 19 . 1 1 29 29 GLU H H 29 8.552 8.552 8.525 0.027 18412 7915 1 19 . 1 1 30 30 ASP N N 30 117.610 117.610 118.116 -0.506 18412 7916 1 19 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.704 -0.116 18412 7917 1 19 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.830 0.053 18412 7918 1 19 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.921 -0.394 18412 7919 1 19 . 1 1 30 30 ASP H H 30 7.962 7.962 7.491 0.471 18412 7920 1 19 . 1 1 31 31 ILE N N 31 116.930 116.930 122.217 -5.287 18412 7921 1 19 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.699 -0.332 18412 7922 1 19 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.301 0.732 18412 7923 1 19 . 1 1 31 31 ILE CB C 31 38.769 38.769 40.117 -1.347 18412 7924 1 19 . 1 1 31 31 ILE H H 31 7.317 7.317 8.257 -0.940 18412 7925 1 19 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.597 -0.136 18412 7926 1 19 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.835 0.010 18412 7927 1 19 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.557 -0.043 18412 7928 1 19 . 1 1 33 33 SER N N 33 119.808 119.808 118.935 0.873 18412 7929 1 19 . 1 1 33 33 SER HA H 33 4.141 4.141 3.877 0.264 18412 7930 1 19 . 1 1 33 33 SER CA C 33 61.125 61.125 62.518 -1.393 18412 7931 1 19 . 1 1 33 33 SER CB C 33 63.000 63.000 63.244 -0.244 18412 7932 1 19 . 1 1 33 33 SER H H 33 8.778 8.778 8.909 -0.131 18412 7933 1 19 . 1 1 34 34 GLU N N 34 120.906 120.906 119.425 1.481 18412 7934 1 19 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.071 0.134 18412 7935 1 19 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.521 -0.821 18412 7936 1 19 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.344 -0.632 18412 7937 1 19 . 1 1 34 34 GLU H H 34 9.336 9.336 8.763 0.573 18412 7938 1 19 . 1 1 35 35 LYS N N 35 117.698 117.698 117.776 -0.078 18412 7939 1 19 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.998 0.349 18412 7940 1 19 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.696 -2.236 18412 7941 1 19 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.509 0.748 18412 7942 1 19 . 1 1 35 35 LYS H H 35 7.659 7.659 7.841 -0.182 18412 7943 1 19 . 1 1 36 36 SER N N 36 114.472 114.472 115.561 -1.089 18412 7944 1 19 . 1 1 36 36 SER HA H 36 3.652 3.652 3.973 -0.321 18412 7945 1 19 . 1 1 36 36 SER CA C 36 61.450 61.450 61.400 0.050 18412 7946 1 19 . 1 1 36 36 SER CB C 36 62.820 62.820 62.795 0.025 18412 7947 1 19 . 1 1 36 36 SER H H 36 7.732 7.732 8.506 -0.774 18412 7948 1 19 . 1 1 37 37 GLU N N 37 118.258 118.258 119.542 -1.284 18412 7949 1 19 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.033 -0.063 18412 7950 1 19 . 1 1 37 37 GLU CA C 37 58.113 58.113 59.000 -0.887 18412 7951 1 19 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.293 0.251 18412 7952 1 19 . 1 1 37 37 GLU H H 37 8.187 8.187 7.767 0.420 18412 7953 1 19 . 1 1 38 38 GLU N N 38 115.652 115.652 116.163 -0.511 18412 7954 1 19 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.213 -0.017 18412 7955 1 19 . 1 1 38 38 GLU CA C 38 56.494 56.494 57.218 -0.724 18412 7956 1 19 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.918 0.184 18412 7957 1 19 . 1 1 38 38 GLU H H 38 7.472 7.472 7.684 -0.212 18412 7958 1 19 . 1 1 39 39 ILE N N 39 121.367 121.367 123.083 -1.716 18412 7959 1 19 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.129 -0.144 18412 7960 1 19 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.256 -0.337 18412 7961 1 19 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.501 1.903 18412 7962 1 19 . 1 1 39 39 ILE H H 39 7.504 7.504 7.629 -0.125 18412 7963 1 19 . 1 1 40 40 THR N N 40 115.102 115.102 118.500 -3.398 18412 7964 1 19 . 1 1 40 40 THR HA H 40 4.459 4.459 4.344 0.115 18412 7965 1 19 . 1 1 40 40 THR CA C 40 61.169 61.169 62.523 -1.354 18412 7966 1 19 . 1 1 40 40 THR CB C 40 69.913 69.913 68.776 1.137 18412 7967 1 19 . 1 1 40 40 THR H H 40 8.173 8.173 8.323 -0.150 18412 7968 1 19 . 1 1 41 41 THR N N 41 108.664 108.664 112.636 -3.972 18412 7969 1 19 . 1 1 41 41 THR HA H 41 4.602 4.602 4.555 0.047 18412 7970 1 19 . 1 1 41 41 THR CA C 41 59.116 59.116 60.372 -1.256 18412 7971 1 19 . 1 1 41 41 THR CB C 41 73.442 73.442 70.496 2.946 18412 7972 1 19 . 1 1 41 41 THR H H 41 7.104 7.104 7.331 -0.227 18412 7973 1 19 . 1 1 42 42 GLY N N 42 109.200 109.200 110.994 -1.794 18412 7974 1 19 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.246 0.265 18412 7975 1 19 . 1 1 42 42 GLY H H 42 9.196 9.196 9.112 0.084 18412 7976 1 19 . 1 1 43 43 SER N N 43 114.564 114.564 117.782 -3.218 18412 7977 1 19 . 1 1 43 43 SER HA H 43 4.360 4.360 4.304 0.056 18412 7978 1 19 . 1 1 43 43 SER CA C 43 61.523 61.523 61.437 0.086 18412 7979 1 19 . 1 1 43 43 SER CB C 43 62.448 62.448 63.126 -0.678 18412 7980 1 19 . 1 1 43 43 SER H H 43 8.208 8.208 8.375 -0.167 18412 7981 1 19 . 1 1 44 44 ALA N N 44 123.757 123.757 124.674 -0.917 18412 7982 1 19 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.262 0.019 18412 7983 1 19 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.771 -0.245 18412 7984 1 19 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.037 1.296 18412 7985 1 19 . 1 1 44 44 ALA H H 44 7.964 7.964 8.228 -0.264 18412 7986 1 19 . 1 1 45 45 TRP N N 45 122.904 122.904 120.632 2.272 18412 7987 1 19 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.380 -0.152 18412 7988 1 19 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.347 1.283 18412 7989 1 19 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.195 -1.671 18412 7990 1 19 . 1 1 45 45 TRP H H 45 8.001 8.001 7.878 0.123 18412 7991 1 19 . 1 1 46 46 PHE N N 46 116.699 116.699 118.319 -1.620 18412 7992 1 19 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.595 0.291 18412 7993 1 19 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.926 -0.234 18412 7994 1 19 . 1 1 46 46 PHE CB C 46 37.845 37.845 37.986 -0.141 18412 7995 1 19 . 1 1 46 46 PHE H H 46 8.250 8.250 8.193 0.057 18412 7996 1 19 . 1 1 47 47 SER N N 47 113.740 113.740 115.861 -2.121 18412 7997 1 19 . 1 1 47 47 SER HA H 47 4.419 4.419 4.522 -0.103 18412 7998 1 19 . 1 1 47 47 SER CA C 47 61.723 61.723 61.558 0.165 18412 7999 1 19 . 1 1 47 47 SER CB C 47 62.769 62.769 62.668 0.101 18412 8000 1 19 . 1 1 47 47 SER H H 47 8.331 8.331 8.853 -0.522 18412 8001 1 19 . 1 1 48 48 PHE N N 48 124.310 124.310 124.205 0.105 18412 8002 1 19 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.191 0.061 18412 8003 1 19 . 1 1 48 48 PHE CA C 48 61.787 61.787 61.084 0.703 18412 8004 1 19 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.810 0.121 18412 8005 1 19 . 1 1 48 48 PHE H H 48 8.175 8.175 8.041 0.134 18412 8006 1 19 . 1 1 49 49 LEU N N 49 120.565 120.565 120.474 0.091 18412 8007 1 19 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.387 0.135 18412 8008 1 19 . 1 1 49 49 LEU CA C 49 58.233 58.233 57.973 0.260 18412 8009 1 19 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.297 0.228 18412 8010 1 19 . 1 1 49 49 LEU H H 49 8.212 8.212 8.476 -0.264 18412 8011 1 19 . 1 1 50 50 GLU N N 50 120.639 120.639 117.715 2.924 18412 8012 1 19 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.223 0.353 18412 8013 1 19 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.852 0.324 18412 8014 1 19 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.487 1.137 18412 8015 1 19 . 1 1 50 50 GLU H H 50 8.702 8.702 8.635 0.067 18412 8016 1 19 . 1 1 51 51 SER N N 51 116.044 116.044 113.087 2.957 18412 8017 1 19 . 1 1 51 51 SER HA H 51 4.178 4.178 4.274 -0.096 18412 8018 1 19 . 1 1 51 51 SER CA C 51 60.575 60.575 60.480 0.095 18412 8019 1 19 . 1 1 51 51 SER CB C 51 62.881 62.881 63.621 -0.740 18412 8020 1 19 . 1 1 51 51 SER H H 51 8.272 8.272 7.665 0.607 18412 8021 1 19 . 1 1 52 52 HIS N N 52 118.134 118.134 117.642 0.492 18412 8022 1 19 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.590 -0.186 18412 8023 1 19 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.629 2.788 18412 8024 1 19 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.227 -2.807 18412 8025 1 19 . 1 1 52 52 HIS H H 52 7.217 7.217 7.382 -0.165 18412 8026 1 19 . 1 1 53 53 ASN N N 53 113.597 113.597 117.553 -3.956 18412 8027 1 19 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.550 -0.040 18412 8028 1 19 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.009 1.796 18412 8029 1 19 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.745 -0.982 18412 8030 1 19 . 1 1 53 53 ASN H H 53 7.893 7.893 8.664 -0.771 18412 8031 1 19 . 1 1 54 54 LYS N N 54 113.123 113.123 118.991 -5.868 18412 8032 1 19 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.287 -0.052 18412 8033 1 19 . 1 1 54 54 LYS CA C 54 54.263 54.263 54.872 -0.609 18412 8034 1 19 . 1 1 54 54 LYS CB C 54 33.545 33.545 32.402 1.143 18412 8035 1 19 . 1 1 54 54 LYS H H 54 8.082 8.082 7.288 0.794 18412 8036 1 19 . 1 1 55 55 LEU N N 55 120.215 120.215 120.402 -0.187 18412 8037 1 19 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.962 -0.307 18412 8038 1 19 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.825 0.442 18412 8039 1 19 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.272 3.105 18412 8040 1 19 . 1 1 55 55 LEU H H 55 6.882 6.882 7.290 -0.408 18412 8041 1 19 . 1 1 56 56 ASP N N 56 120.831 120.831 127.537 -6.706 18412 8042 1 19 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.759 -0.367 18412 8043 1 19 . 1 1 56 56 ASP CA C 56 53.666 53.666 53.794 -0.128 18412 8044 1 19 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.196 0.119 18412 8045 1 19 . 1 1 56 56 ASP H H 56 8.078 8.078 9.003 -0.925 18412 8046 1 19 . 1 1 57 57 LYS N N 57 115.203 115.203 117.720 -2.517 18412 8047 1 19 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.210 -0.845 18412 8048 1 19 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.129 -0.477 18412 8049 1 19 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.018 -0.700 18412 8050 1 19 . 1 1 57 57 LYS H H 57 7.958 7.958 8.596 -0.638 18412 8051 1 19 . 1 1 58 58 ASP N N 58 118.074 118.074 114.009 4.065 18412 8052 1 19 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.324 0.633 18412 8053 1 19 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.623 -0.340 18412 8054 1 19 . 1 1 58 58 ASP CB C 58 43.059 43.059 40.331 2.728 18412 8055 1 19 . 1 1 58 58 ASP H H 58 8.336 8.336 8.120 0.216 18412 8056 1 19 . 1 1 59 59 ASN N N 59 119.835 119.835 117.788 2.047 18412 8057 1 19 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.708 0.252 18412 8058 1 19 . 1 1 59 59 ASN CA C 59 52.729 52.729 52.936 -0.207 18412 8059 1 19 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.779 0.097 18412 8060 1 19 . 1 1 59 59 ASN H H 59 7.850 7.850 8.094 -0.244 18412 8061 1 19 . 1 1 60 60 LEU N N 60 125.541 125.541 119.988 5.553 18412 8062 1 19 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.057 -0.497 18412 8063 1 19 . 1 1 60 60 LEU CA C 60 54.248 54.248 55.973 -1.725 18412 8064 1 19 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.551 -0.361 18412 8065 1 19 . 1 1 60 60 LEU H H 60 8.995 8.995 8.404 0.591 18412 8066 1 19 . 1 1 61 61 SER N N 61 114.344 114.344 117.207 -2.863 18412 8067 1 19 . 1 1 61 61 SER HA H 61 4.159 4.159 4.400 -0.241 18412 8068 1 19 . 1 1 61 61 SER CA C 61 62.002 62.002 61.309 0.694 18412 8069 1 19 . 1 1 61 61 SER CB C 61 62.987 62.987 62.877 0.110 18412 8070 1 19 . 1 1 61 61 SER H H 61 7.880 7.880 8.229 -0.349 18412 8071 1 19 . 1 1 62 62 TYR N N 62 125.087 125.087 123.330 1.757 18412 8072 1 19 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.303 -0.004 18412 8073 1 19 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.001 1.204 18412 8074 1 19 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.692 0.233 18412 8075 1 19 . 1 1 62 62 TYR H H 62 8.765 8.765 8.133 0.632 18412 8076 1 19 . 1 1 63 63 ILE N N 63 111.338 111.338 116.278 -4.940 18412 8077 1 19 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.856 -0.214 18412 8078 1 19 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.113 1.005 18412 8079 1 19 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.215 -0.832 18412 8080 1 19 . 1 1 63 63 ILE H H 63 7.631 7.631 7.923 -0.292 18412 8081 1 19 . 1 1 64 64 GLU N N 64 121.049 121.049 122.580 -1.531 18412 8082 1 19 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.063 -0.338 18412 8083 1 19 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.288 0.607 18412 8084 1 19 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.566 0.672 18412 8085 1 19 . 1 1 64 64 GLU H H 64 7.987 7.987 8.555 -0.568 18412 8086 1 19 . 1 1 65 65 HIS N N 65 117.657 117.657 119.139 -1.482 18412 8087 1 19 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.297 0.141 18412 8088 1 19 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.557 -0.535 18412 8089 1 19 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.627 -1.040 18412 8090 1 19 . 1 1 65 65 HIS H H 65 7.513 7.513 7.820 -0.307 18412 8091 1 19 . 1 1 66 66 ILE N N 66 118.281 118.281 119.133 -0.852 18412 8092 1 19 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.454 -0.027 18412 8093 1 19 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.640 -1.902 18412 8094 1 19 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.232 -1.146 18412 8095 1 19 . 1 1 66 66 ILE H H 66 7.924 7.924 7.472 0.452 18412 8096 1 19 . 1 1 67 67 PHE N N 67 121.084 121.084 118.358 2.726 18412 8097 1 19 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.412 0.054 18412 8098 1 19 . 1 1 67 67 PHE CA C 67 57.682 57.682 60.594 -2.912 18412 8099 1 19 . 1 1 67 67 PHE CB C 67 36.678 36.678 38.163 -1.485 18412 8100 1 19 . 1 1 67 67 PHE H H 67 8.737 8.737 8.309 0.428 18412 8101 1 19 . 1 1 68 68 GLU N N 68 120.739 120.739 119.623 1.116 18412 8102 1 19 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.106 -0.020 18412 8103 1 19 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.561 1.539 18412 8104 1 19 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.785 -0.050 18412 8105 1 19 . 1 1 68 68 GLU H H 68 8.228 8.228 7.594 0.634 18412 8106 1 19 . 1 1 69 69 ILE N N 69 117.535 117.535 114.121 3.414 18412 8107 1 19 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.880 0.161 18412 8108 1 19 . 1 1 69 69 ILE CA C 69 64.231 64.231 62.993 1.238 18412 8109 1 19 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.864 -0.237 18412 8110 1 19 . 1 1 69 69 ILE H H 69 8.393 8.393 7.848 0.545 18412 8111 1 19 . 1 1 70 70 SER N N 70 115.058 115.058 116.443 -1.385 18412 8112 1 19 . 1 1 70 70 SER HA H 70 4.419 4.419 4.369 0.050 18412 8113 1 19 . 1 1 70 70 SER CA C 70 58.502 58.502 57.689 0.813 18412 8114 1 19 . 1 1 70 70 SER CB C 70 63.029 63.029 64.849 -1.819 18412 8115 1 19 . 1 1 70 70 SER H H 70 7.857 7.857 7.703 0.154 18412 8116 1 19 . 1 1 71 71 ARG N N 71 115.621 115.621 123.713 -8.092 18412 8117 1 19 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.257 -0.355 18412 8118 1 19 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.982 0.470 18412 8119 1 19 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.682 -1.332 18412 8120 1 19 . 1 1 71 71 ARG H H 71 7.753 7.753 8.604 -0.851 18412 8121 1 19 . 1 1 72 72 ARG N N 72 115.226 115.226 119.627 -4.401 18412 8122 1 19 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.893 0.181 18412 8123 1 19 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.548 -3.935 18412 8124 1 19 . 1 1 72 72 ARG CB C 72 28.562 28.562 31.105 -2.543 18412 8125 1 19 . 1 1 72 72 ARG H H 72 8.006 8.006 8.510 -0.504 18412 8126 1 19 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.441 -0.104 18412 8127 1 19 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.667 0.031 18412 8128 1 19 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.768 -0.439 18412 8129 1 19 . 1 1 74 74 ASP N N 74 118.600 118.600 118.526 0.074 18412 8130 1 19 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.409 -0.229 18412 8131 1 19 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.348 -1.358 18412 8132 1 19 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.911 -1.876 18412 8133 1 19 . 1 1 74 74 ASP H H 74 9.152 9.152 8.538 0.614 18412 8134 1 19 . 1 1 75 75 LEU N N 75 120.762 120.762 120.189 0.573 18412 8135 1 19 . 1 1 75 75 LEU HA H 75 3.907 3.907 4.002 -0.095 18412 8136 1 19 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.231 -0.869 18412 8137 1 19 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.269 -2.630 18412 8138 1 19 . 1 1 75 75 LEU H H 75 7.044 7.044 7.504 -0.460 18412 8139 1 19 . 1 1 76 76 LEU N N 76 118.917 118.917 120.583 -1.666 18412 8140 1 19 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.941 0.177 18412 8141 1 19 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.805 0.048 18412 8142 1 19 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.527 1.079 18412 8143 1 19 . 1 1 76 76 LEU H H 76 7.850 7.850 7.644 0.206 18412 8144 1 19 . 1 1 77 77 THR N N 77 114.574 114.574 115.664 -1.090 18412 8145 1 19 . 1 1 77 77 THR HA H 77 3.830 3.830 3.879 -0.049 18412 8146 1 19 . 1 1 77 77 THR CA C 77 66.882 66.882 67.152 -0.270 18412 8147 1 19 . 1 1 77 77 THR CB C 77 68.991 68.991 68.634 0.357 18412 8148 1 19 . 1 1 77 77 THR H H 77 8.287 8.287 8.277 0.010 18412 8149 1 19 . 1 1 78 78 MET N N 78 118.873 118.873 119.228 -0.355 18412 8150 1 19 . 1 1 78 78 MET HA H 78 4.155 4.155 4.130 0.025 18412 8151 1 19 . 1 1 78 78 MET CA C 78 59.838 59.838 59.465 0.373 18412 8152 1 19 . 1 1 78 78 MET CB C 78 32.697 32.697 32.190 0.507 18412 8153 1 19 . 1 1 78 78 MET H H 78 7.032 7.032 7.597 -0.565 18412 8154 1 19 . 1 1 79 79 VAL N N 79 120.046 120.046 119.781 0.265 18412 8155 1 19 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.745 -0.024 18412 8156 1 19 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.456 0.525 18412 8157 1 19 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.384 0.648 18412 8158 1 19 . 1 1 79 79 VAL H H 79 7.633 7.633 7.377 0.256 18412 8159 1 19 . 1 1 80 80 VAL N N 80 121.510 121.510 120.966 0.544 18412 8160 1 19 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.640 -0.099 18412 8161 1 19 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.634 -0.529 18412 8162 1 19 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.299 0.548 18412 8163 1 19 . 1 1 80 80 VAL H H 80 8.601 8.601 8.707 -0.106 18412 8164 1 19 . 1 1 81 81 ASP N N 81 121.760 121.760 120.089 1.671 18412 8165 1 19 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.341 0.012 18412 8166 1 19 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.294 0.382 18412 8167 1 19 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.424 0.147 18412 8168 1 19 . 1 1 81 81 ASP H H 81 8.677 8.677 8.631 0.046 18412 8169 1 19 . 1 1 82 82 TYR N N 82 121.025 121.025 121.221 -0.196 18412 8170 1 19 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.108 0.079 18412 8171 1 19 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.460 0.043 18412 8172 1 19 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.605 0.018 18412 8173 1 19 . 1 1 82 82 TYR H H 82 7.608 7.608 7.917 -0.309 18412 8174 1 19 . 1 1 83 83 ARG N N 83 119.379 119.379 118.740 0.639 18412 8175 1 19 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.727 -0.056 18412 8176 1 19 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.395 0.482 18412 8177 1 19 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.652 0.726 18412 8178 1 19 . 1 1 83 83 ARG H H 83 8.596 8.596 8.239 0.357 18412 8179 1 19 . 1 1 84 84 THR N N 84 113.330 113.330 115.922 -2.592 18412 8180 1 19 . 1 1 84 84 THR HA H 84 3.946 3.946 4.099 -0.153 18412 8181 1 19 . 1 1 84 84 THR CA C 84 65.316 65.316 66.425 -1.109 18412 8182 1 19 . 1 1 84 84 THR CB C 84 69.273 69.273 68.537 0.736 18412 8183 1 19 . 1 1 84 84 THR H H 84 8.305 8.305 7.890 0.415 18412 8184 1 19 . 1 1 85 85 ARG N N 85 121.457 121.457 122.443 -0.986 18412 8185 1 19 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.063 -0.006 18412 8186 1 19 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.398 -0.493 18412 8187 1 19 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.399 1.406 18412 8188 1 19 . 1 1 85 85 ARG H H 85 7.949 7.949 8.333 -0.384 18412 8189 1 19 . 1 1 86 86 VAL N N 86 117.232 117.232 119.704 -2.472 18412 8190 1 19 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.726 0.071 18412 8191 1 19 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.279 -2.015 18412 8192 1 19 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.219 0.488 18412 8193 1 19 . 1 1 86 86 VAL H H 86 7.962 7.962 7.943 0.019 18412 8194 1 19 . 1 1 87 87 LEU N N 87 120.870 120.870 121.828 -0.958 18412 8195 1 19 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.996 0.162 18412 8196 1 19 . 1 1 87 87 LEU CA C 87 56.056 56.056 57.874 -1.818 18412 8197 1 19 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.721 0.012 18412 8198 1 19 . 1 1 87 87 LEU H H 87 7.463 7.463 7.287 0.176 18412 8199 1 19 . 1 1 88 88 LYS N N 88 118.925 118.925 118.093 0.832 18412 8200 1 19 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.080 0.088 18412 8201 1 19 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.900 -2.211 18412 8202 1 19 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.832 -0.710 18412 8203 1 19 . 1 1 88 88 LYS H H 88 7.602 7.602 8.253 -0.651 18412 8204 1 19 . 1 1 89 89 ILE N N 89 120.845 120.845 119.089 1.756 18412 8205 1 19 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.885 0.164 18412 8206 1 19 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.972 -1.105 18412 8207 1 19 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.637 0.023 18412 8208 1 19 . 1 1 89 89 ILE H H 89 7.882 7.882 7.857 0.025 18412 8209 1 20 . 1 1 2 2 ALA N N 2 124.384 124.384 123.308 1.076 18412 8210 1 20 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.209 -0.010 18412 8211 1 20 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.311 -0.659 18412 8212 1 20 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.870 0.515 18412 8213 1 20 . 1 1 2 2 ALA H H 2 8.326 8.326 8.384 -0.058 18412 8214 1 20 . 1 1 3 3 GLU N N 3 118.800 118.800 118.433 0.367 18412 8215 1 20 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.102 0.096 18412 8216 1 20 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.765 -0.361 18412 8217 1 20 . 1 1 3 3 GLU CB C 3 29.556 29.556 28.881 0.675 18412 8218 1 20 . 1 1 3 3 GLU H H 3 8.411 8.411 9.116 -0.705 18412 8219 1 20 . 1 1 4 4 TYR N N 4 123.838 123.838 120.646 3.192 18412 8220 1 20 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.605 0.399 18412 8221 1 20 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.355 0.277 18412 8222 1 20 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.740 0.662 18412 8223 1 20 . 1 1 4 4 TYR H H 4 8.448 8.448 8.320 0.128 18412 8224 1 20 . 1 1 5 5 GLY N N 5 105.816 105.816 106.115 -0.299 18412 8225 1 20 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.536 -0.394 18412 8226 1 20 . 1 1 5 5 GLY H H 5 8.250 8.250 8.052 0.198 18412 8227 1 20 . 1 1 6 6 THR N N 6 119.523 119.523 118.398 1.125 18412 8228 1 20 . 1 1 6 6 THR HA H 6 3.802 3.802 3.892 -0.090 18412 8229 1 20 . 1 1 6 6 THR CA C 6 66.449 66.449 66.911 -0.462 18412 8230 1 20 . 1 1 6 6 THR CB C 6 68.391 68.391 68.889 -0.498 18412 8231 1 20 . 1 1 6 6 THR H H 6 7.868 7.868 7.618 0.250 18412 8232 1 20 . 1 1 7 7 LEU N N 7 123.502 123.502 123.160 0.342 18412 8233 1 20 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.997 0.242 18412 8234 1 20 . 1 1 7 7 LEU CA C 7 58.225 58.225 57.831 0.394 18412 8235 1 20 . 1 1 7 7 LEU CB C 7 39.753 39.753 40.992 -1.239 18412 8236 1 20 . 1 1 7 7 LEU H H 7 7.594 7.594 8.148 -0.554 18412 8237 1 20 . 1 1 8 8 LEU N N 8 115.222 115.222 117.268 -2.046 18412 8238 1 20 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.192 0.081 18412 8239 1 20 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.160 -0.026 18412 8240 1 20 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.973 0.163 18412 8241 1 20 . 1 1 8 8 LEU H H 8 7.654 7.654 8.049 -0.395 18412 8242 1 20 . 1 1 9 9 GLN N N 9 120.743 120.743 119.194 1.549 18412 8243 1 20 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.976 -0.097 18412 8244 1 20 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.097 -0.321 18412 8245 1 20 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.011 0.917 18412 8246 1 20 . 1 1 9 9 GLN H H 9 7.688 7.688 7.715 -0.027 18412 8247 1 20 . 1 1 10 10 ASP N N 10 122.554 122.554 121.063 1.491 18412 8248 1 20 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.333 -0.000 18412 8249 1 20 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.362 0.315 18412 8250 1 20 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.273 -0.336 18412 8251 1 20 . 1 1 10 10 ASP H H 10 8.656 8.656 8.150 0.506 18412 8252 1 20 . 1 1 11 11 LEU N N 11 119.408 119.408 117.438 1.970 18412 8253 1 20 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.169 -0.283 18412 8254 1 20 . 1 1 11 11 LEU CA C 11 58.485 58.485 58.018 0.467 18412 8255 1 20 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.126 2.127 18412 8256 1 20 . 1 1 11 11 LEU H H 11 8.805 8.805 7.835 0.970 18412 8257 1 20 . 1 1 12 12 THR N N 12 113.945 113.945 116.012 -2.067 18412 8258 1 20 . 1 1 12 12 THR HA H 12 3.875 3.875 4.045 -0.170 18412 8259 1 20 . 1 1 12 12 THR CA C 12 67.829 67.829 67.538 0.291 18412 8260 1 20 . 1 1 12 12 THR CB C 12 68.521 68.521 68.679 -0.158 18412 8261 1 20 . 1 1 12 12 THR H H 12 8.305 8.305 8.090 0.215 18412 8262 1 20 . 1 1 13 13 ASN N N 13 119.138 119.138 117.878 1.260 18412 8263 1 20 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.558 0.032 18412 8264 1 20 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.761 -1.111 18412 8265 1 20 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.299 -0.036 18412 8266 1 20 . 1 1 13 13 ASN H H 13 8.180 8.180 8.639 -0.459 18412 8267 1 20 . 1 1 14 14 ASN N N 14 117.905 117.905 115.467 2.438 18412 8268 1 20 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.715 0.111 18412 8269 1 20 . 1 1 14 14 ASN CA C 14 53.358 53.358 52.992 0.366 18412 8270 1 20 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.393 2.065 18412 8271 1 20 . 1 1 14 14 ASN H H 14 7.778 7.778 7.610 0.168 18412 8272 1 20 . 1 1 15 15 ILE N N 15 120.690 120.690 121.952 -1.262 18412 8273 1 20 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.091 0.620 18412 8274 1 20 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.865 0.012 18412 8275 1 20 . 1 1 15 15 ILE CB C 15 41.344 41.344 37.004 4.340 18412 8276 1 20 . 1 1 15 15 ILE H H 15 7.234 7.234 7.430 -0.196 18412 8277 1 20 . 1 1 16 16 THR N N 16 120.066 120.066 118.556 1.510 18412 8278 1 20 . 1 1 16 16 THR HA H 16 4.536 4.536 4.556 -0.020 18412 8279 1 20 . 1 1 16 16 THR CA C 16 60.804 60.804 60.153 0.651 18412 8280 1 20 . 1 1 16 16 THR CB C 16 71.263 71.263 71.242 0.021 18412 8281 1 20 . 1 1 16 16 THR H H 16 9.188 9.188 8.414 0.774 18412 8282 1 20 . 1 1 17 17 LEU N N 17 121.043 121.043 123.555 -2.512 18412 8283 1 20 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.863 0.133 18412 8284 1 20 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.946 -0.253 18412 8285 1 20 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.514 -0.187 18412 8286 1 20 . 1 1 17 17 LEU H H 17 8.662 8.662 8.900 -0.238 18412 8287 1 20 . 1 1 18 18 GLU N N 18 118.968 118.968 118.957 0.011 18412 8288 1 20 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.965 -0.018 18412 8289 1 20 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.517 0.469 18412 8290 1 20 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.146 0.002 18412 8291 1 20 . 1 1 18 18 GLU H H 18 8.374 8.374 8.560 -0.186 18412 8292 1 20 . 1 1 19 19 ASP N N 19 121.542 121.542 121.132 0.410 18412 8293 1 20 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.361 -0.218 18412 8294 1 20 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.268 -0.677 18412 8295 1 20 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.352 0.960 18412 8296 1 20 . 1 1 19 19 ASP H H 19 7.857 7.857 8.523 -0.666 18412 8297 1 20 . 1 1 20 20 LEU N N 20 120.904 120.904 120.196 0.708 18412 8298 1 20 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.626 -0.209 18412 8299 1 20 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.342 -1.428 18412 8300 1 20 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.614 -0.512 18412 8301 1 20 . 1 1 20 20 LEU H H 20 8.412 8.412 8.335 0.077 18412 8302 1 20 . 1 1 21 21 GLU N N 21 117.187 117.187 118.273 -1.086 18412 8303 1 20 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.754 0.044 18412 8304 1 20 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.621 -0.350 18412 8305 1 20 . 1 1 21 21 GLU CB C 21 28.917 28.917 29.071 -0.154 18412 8306 1 20 . 1 1 21 21 GLU H H 21 7.462 7.462 8.238 -0.776 18412 8307 1 20 . 1 1 22 22 GLN N N 22 118.617 118.617 120.241 -1.624 18412 8308 1 20 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.055 -0.036 18412 8309 1 20 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.741 -0.154 18412 8310 1 20 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.657 -0.422 18412 8311 1 20 . 1 1 22 22 GLN H H 22 7.135 7.135 7.876 -0.741 18412 8312 1 20 . 1 1 23 23 LEU N N 23 121.325 121.325 120.577 0.748 18412 8313 1 20 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.817 -0.112 18412 8314 1 20 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.455 0.330 18412 8315 1 20 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.226 -1.606 18412 8316 1 20 . 1 1 23 23 LEU H H 23 7.833 7.833 7.967 -0.134 18412 8317 1 20 . 1 1 24 24 LYS N N 24 116.045 116.045 119.012 -2.967 18412 8318 1 20 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.583 0.067 18412 8319 1 20 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.808 0.737 18412 8320 1 20 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.981 -0.169 18412 8321 1 20 . 1 1 24 24 LYS H H 24 8.307 8.307 8.408 -0.101 18412 8322 1 20 . 1 1 25 25 SER N N 25 116.071 116.071 115.353 0.718 18412 8323 1 20 . 1 1 25 25 SER HA H 25 4.111 4.111 4.080 0.031 18412 8324 1 20 . 1 1 25 25 SER CA C 25 61.557 61.557 61.839 -0.282 18412 8325 1 20 . 1 1 25 25 SER CB C 25 62.565 62.565 62.647 -0.082 18412 8326 1 20 . 1 1 25 25 SER H H 25 7.781 7.781 7.833 -0.052 18412 8327 1 20 . 1 1 26 26 ALA N N 26 123.448 123.448 124.492 -1.044 18412 8328 1 20 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.045 0.130 18412 8329 1 20 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.905 -0.656 18412 8330 1 20 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.320 0.393 18412 8331 1 20 . 1 1 26 26 ALA H H 26 7.735 7.735 8.113 -0.378 18412 8332 1 20 . 1 1 27 27 CYS N N 27 113.480 113.480 116.613 -3.133 18412 8333 1 20 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.313 0.318 18412 8334 1 20 . 1 1 27 27 CYS CA C 27 59.381 59.381 61.286 -1.905 18412 8335 1 20 . 1 1 27 27 CYS CB C 27 28.634 28.634 27.192 1.442 18412 8336 1 20 . 1 1 27 27 CYS H H 27 7.390 7.390 8.441 -1.051 18412 8337 1 20 . 1 1 28 28 LYS N N 28 118.354 118.354 120.983 -2.629 18412 8338 1 20 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.987 -0.042 18412 8339 1 20 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.171 -0.751 18412 8340 1 20 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.394 0.153 18412 8341 1 20 . 1 1 28 28 LYS H H 28 7.634 7.634 7.777 -0.143 18412 8342 1 20 . 1 1 29 29 GLU N N 29 118.875 118.875 117.766 1.109 18412 8343 1 20 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.209 -0.052 18412 8344 1 20 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.318 -0.078 18412 8345 1 20 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.730 -0.866 18412 8346 1 20 . 1 1 29 29 GLU H H 29 8.552 8.552 8.326 0.226 18412 8347 1 20 . 1 1 30 30 ASP N N 30 117.610 117.610 118.055 -0.445 18412 8348 1 20 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.750 -0.162 18412 8349 1 20 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.471 0.412 18412 8350 1 20 . 1 1 30 30 ASP CB C 30 41.527 41.527 42.087 -0.559 18412 8351 1 20 . 1 1 30 30 ASP H H 30 7.962 7.962 7.763 0.199 18412 8352 1 20 . 1 1 31 31 ILE N N 31 116.930 116.930 122.751 -5.821 18412 8353 1 20 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.811 -0.444 18412 8354 1 20 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.230 0.803 18412 8355 1 20 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.634 -0.865 18412 8356 1 20 . 1 1 31 31 ILE H H 31 7.317 7.317 8.574 -1.257 18412 8357 1 20 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.590 -0.129 18412 8358 1 20 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.955 -0.110 18412 8359 1 20 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.420 0.094 18412 8360 1 20 . 1 1 33 33 SER N N 33 119.808 119.808 120.160 -0.352 18412 8361 1 20 . 1 1 33 33 SER HA H 33 4.141 4.141 3.915 0.226 18412 8362 1 20 . 1 1 33 33 SER CA C 33 61.125 61.125 62.897 -1.772 18412 8363 1 20 . 1 1 33 33 SER CB C 33 63.000 63.000 63.273 -0.273 18412 8364 1 20 . 1 1 33 33 SER H H 33 8.778 8.778 8.916 -0.138 18412 8365 1 20 . 1 1 34 34 GLU N N 34 120.906 120.906 119.874 1.032 18412 8366 1 20 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.042 0.163 18412 8367 1 20 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.436 -0.736 18412 8368 1 20 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.422 -0.710 18412 8369 1 20 . 1 1 34 34 GLU H H 34 9.336 9.336 8.663 0.673 18412 8370 1 20 . 1 1 35 35 LYS N N 35 117.698 117.698 117.128 0.570 18412 8371 1 20 . 1 1 35 35 LYS HA H 35 4.347 4.347 3.999 0.348 18412 8372 1 20 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.497 -2.037 18412 8373 1 20 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.603 0.654 18412 8374 1 20 . 1 1 35 35 LYS H H 35 7.659 7.659 7.770 -0.111 18412 8375 1 20 . 1 1 36 36 SER N N 36 114.472 114.472 115.895 -1.423 18412 8376 1 20 . 1 1 36 36 SER HA H 36 3.652 3.652 4.022 -0.370 18412 8377 1 20 . 1 1 36 36 SER CA C 36 61.450 61.450 61.302 0.148 18412 8378 1 20 . 1 1 36 36 SER CB C 36 62.820 62.820 62.936 -0.116 18412 8379 1 20 . 1 1 36 36 SER H H 36 7.732 7.732 8.498 -0.766 18412 8380 1 20 . 1 1 37 37 GLU N N 37 118.258 118.258 120.313 -2.055 18412 8381 1 20 . 1 1 37 37 GLU HA H 37 3.970 3.970 3.956 0.014 18412 8382 1 20 . 1 1 37 37 GLU CA C 37 58.113 58.113 59.086 -0.973 18412 8383 1 20 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.460 0.084 18412 8384 1 20 . 1 1 37 37 GLU H H 37 8.187 8.187 7.643 0.544 18412 8385 1 20 . 1 1 38 38 GLU N N 38 115.652 115.652 117.290 -1.638 18412 8386 1 20 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.290 -0.094 18412 8387 1 20 . 1 1 38 38 GLU CA C 38 56.494 56.494 55.765 0.729 18412 8388 1 20 . 1 1 38 38 GLU CB C 38 30.102 30.102 28.708 1.394 18412 8389 1 20 . 1 1 38 38 GLU H H 38 7.472 7.472 7.766 -0.294 18412 8390 1 20 . 1 1 39 39 ILE N N 39 121.367 121.367 123.046 -1.679 18412 8391 1 20 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.137 -0.152 18412 8392 1 20 . 1 1 39 39 ILE CA C 39 60.919 60.919 60.838 0.081 18412 8393 1 20 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.976 1.428 18412 8394 1 20 . 1 1 39 39 ILE H H 39 7.504 7.504 7.344 0.160 18412 8395 1 20 . 1 1 40 40 THR N N 40 115.102 115.102 117.156 -2.054 18412 8396 1 20 . 1 1 40 40 THR HA H 40 4.459 4.459 4.414 0.045 18412 8397 1 20 . 1 1 40 40 THR CA C 40 61.169 61.169 62.208 -1.039 18412 8398 1 20 . 1 1 40 40 THR CB C 40 69.913 69.913 68.808 1.105 18412 8399 1 20 . 1 1 40 40 THR H H 40 8.173 8.173 7.883 0.290 18412 8400 1 20 . 1 1 41 41 THR N N 41 108.664 108.664 112.973 -4.309 18412 8401 1 20 . 1 1 41 41 THR HA H 41 4.602 4.602 4.496 0.106 18412 8402 1 20 . 1 1 41 41 THR CA C 41 59.116 59.116 60.599 -1.483 18412 8403 1 20 . 1 1 41 41 THR CB C 41 73.442 73.442 70.331 3.111 18412 8404 1 20 . 1 1 41 41 THR H H 41 7.104 7.104 7.371 -0.267 18412 8405 1 20 . 1 1 42 42 GLY N N 42 109.200 109.200 112.086 -2.886 18412 8406 1 20 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.187 0.324 18412 8407 1 20 . 1 1 42 42 GLY H H 42 9.196 9.196 9.003 0.193 18412 8408 1 20 . 1 1 43 43 SER N N 43 114.564 114.564 117.387 -2.823 18412 8409 1 20 . 1 1 43 43 SER HA H 43 4.360 4.360 4.388 -0.028 18412 8410 1 20 . 1 1 43 43 SER CA C 43 61.523 61.523 61.727 -0.205 18412 8411 1 20 . 1 1 43 43 SER CB C 43 62.448 62.448 63.202 -0.754 18412 8412 1 20 . 1 1 43 43 SER H H 43 8.208 8.208 8.349 -0.141 18412 8413 1 20 . 1 1 44 44 ALA N N 44 123.757 123.757 124.458 -0.701 18412 8414 1 20 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.205 0.076 18412 8415 1 20 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.921 -0.395 18412 8416 1 20 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.236 1.097 18412 8417 1 20 . 1 1 44 44 ALA H H 44 7.964 7.964 8.024 -0.060 18412 8418 1 20 . 1 1 45 45 TRP N N 45 122.904 122.904 120.499 2.405 18412 8419 1 20 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.405 -0.177 18412 8420 1 20 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.327 1.303 18412 8421 1 20 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.170 -1.646 18412 8422 1 20 . 1 1 45 45 TRP H H 45 8.001 8.001 7.708 0.293 18412 8423 1 20 . 1 1 46 46 PHE N N 46 116.699 116.699 118.426 -1.727 18412 8424 1 20 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.617 0.269 18412 8425 1 20 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.969 -0.277 18412 8426 1 20 . 1 1 46 46 PHE CB C 46 37.845 37.845 37.969 -0.124 18412 8427 1 20 . 1 1 46 46 PHE H H 46 8.250 8.250 7.895 0.355 18412 8428 1 20 . 1 1 47 47 SER N N 47 113.740 113.740 115.013 -1.273 18412 8429 1 20 . 1 1 47 47 SER HA H 47 4.419 4.419 4.293 0.126 18412 8430 1 20 . 1 1 47 47 SER CA C 47 61.723 61.723 61.652 0.071 18412 8431 1 20 . 1 1 47 47 SER CB C 47 62.769 62.769 62.745 0.024 18412 8432 1 20 . 1 1 47 47 SER H H 47 8.331 8.331 8.881 -0.550 18412 8433 1 20 . 1 1 48 48 PHE N N 48 124.310 124.310 124.477 -0.167 18412 8434 1 20 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.189 0.063 18412 8435 1 20 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.948 0.839 18412 8436 1 20 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.697 0.234 18412 8437 1 20 . 1 1 48 48 PHE H H 48 8.175 8.175 7.999 0.176 18412 8438 1 20 . 1 1 49 49 LEU N N 49 120.565 120.565 120.355 0.210 18412 8439 1 20 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.238 0.284 18412 8440 1 20 . 1 1 49 49 LEU CA C 49 58.233 58.233 57.951 0.282 18412 8441 1 20 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.319 0.206 18412 8442 1 20 . 1 1 49 49 LEU H H 49 8.212 8.212 8.455 -0.243 18412 8443 1 20 . 1 1 50 50 GLU N N 50 120.639 120.639 117.893 2.746 18412 8444 1 20 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.294 0.282 18412 8445 1 20 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.801 0.375 18412 8446 1 20 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.519 1.105 18412 8447 1 20 . 1 1 50 50 GLU H H 50 8.702 8.702 8.630 0.072 18412 8448 1 20 . 1 1 51 51 SER N N 51 116.044 116.044 113.246 2.798 18412 8449 1 20 . 1 1 51 51 SER HA H 51 4.178 4.178 4.289 -0.111 18412 8450 1 20 . 1 1 51 51 SER CA C 51 60.575 60.575 60.647 -0.072 18412 8451 1 20 . 1 1 51 51 SER CB C 51 62.881 62.881 63.684 -0.803 18412 8452 1 20 . 1 1 51 51 SER H H 51 8.272 8.272 7.616 0.656 18412 8453 1 20 . 1 1 52 52 HIS N N 52 118.134 118.134 118.336 -0.202 18412 8454 1 20 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.587 -0.183 18412 8455 1 20 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.953 2.464 18412 8456 1 20 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.055 -2.635 18412 8457 1 20 . 1 1 52 52 HIS H H 52 7.217 7.217 7.405 -0.188 18412 8458 1 20 . 1 1 53 53 ASN N N 53 113.597 113.597 118.166 -4.569 18412 8459 1 20 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.721 -0.211 18412 8460 1 20 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.636 1.169 18412 8461 1 20 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.797 -1.034 18412 8462 1 20 . 1 1 53 53 ASN H H 53 7.893 7.893 8.758 -0.865 18412 8463 1 20 . 1 1 54 54 LYS N N 54 113.123 113.123 118.731 -5.608 18412 8464 1 20 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.333 -0.098 18412 8465 1 20 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.209 -0.945 18412 8466 1 20 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.161 0.383 18412 8467 1 20 . 1 1 54 54 LYS H H 54 8.082 8.082 7.439 0.643 18412 8468 1 20 . 1 1 55 55 LEU N N 55 120.215 120.215 120.254 -0.039 18412 8469 1 20 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.484 0.171 18412 8470 1 20 . 1 1 55 55 LEU CA C 55 55.267 55.267 55.084 0.183 18412 8471 1 20 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.592 2.785 18412 8472 1 20 . 1 1 55 55 LEU H H 55 6.882 6.882 7.297 -0.415 18412 8473 1 20 . 1 1 56 56 ASP N N 56 120.831 120.831 127.275 -6.444 18412 8474 1 20 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.708 -0.316 18412 8475 1 20 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.605 -0.939 18412 8476 1 20 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.891 -0.576 18412 8477 1 20 . 1 1 56 56 ASP H H 56 8.078 8.078 8.539 -0.461 18412 8478 1 20 . 1 1 57 57 LYS N N 57 115.203 115.203 120.724 -5.521 18412 8479 1 20 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.161 -0.796 18412 8480 1 20 . 1 1 57 57 LYS CA C 57 58.652 58.652 59.107 -0.455 18412 8481 1 20 . 1 1 57 57 LYS CB C 57 31.318 31.318 31.917 -0.599 18412 8482 1 20 . 1 1 57 57 LYS H H 57 7.958 7.958 8.702 -0.744 18412 8483 1 20 . 1 1 58 58 ASP N N 58 118.074 118.074 115.840 2.234 18412 8484 1 20 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.363 0.594 18412 8485 1 20 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.925 -0.642 18412 8486 1 20 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.546 1.513 18412 8487 1 20 . 1 1 58 58 ASP H H 58 8.336 8.336 8.241 0.095 18412 8488 1 20 . 1 1 59 59 ASN N N 59 119.835 119.835 119.278 0.557 18412 8489 1 20 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.742 0.218 18412 8490 1 20 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.224 -0.495 18412 8491 1 20 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.896 -0.019 18412 8492 1 20 . 1 1 59 59 ASN H H 59 7.850 7.850 8.039 -0.189 18412 8493 1 20 . 1 1 60 60 LEU N N 60 125.541 125.541 123.528 2.013 18412 8494 1 20 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.145 -0.585 18412 8495 1 20 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.568 -2.320 18412 8496 1 20 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.211 -0.021 18412 8497 1 20 . 1 1 60 60 LEU H H 60 8.995 8.995 8.525 0.470 18412 8498 1 20 . 1 1 61 61 SER N N 61 114.344 114.344 117.144 -2.800 18412 8499 1 20 . 1 1 61 61 SER HA H 61 4.159 4.159 4.178 -0.019 18412 8500 1 20 . 1 1 61 61 SER CA C 61 62.002 62.002 61.801 0.201 18412 8501 1 20 . 1 1 61 61 SER CB C 61 62.987 62.987 62.782 0.205 18412 8502 1 20 . 1 1 61 61 SER H H 61 7.880 7.880 8.211 -0.331 18412 8503 1 20 . 1 1 62 62 TYR N N 62 125.087 125.087 120.722 4.365 18412 8504 1 20 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.258 0.041 18412 8505 1 20 . 1 1 62 62 TYR CA C 62 62.205 62.205 61.273 0.932 18412 8506 1 20 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.504 0.421 18412 8507 1 20 . 1 1 62 62 TYR H H 62 8.765 8.765 8.378 0.387 18412 8508 1 20 . 1 1 63 63 ILE N N 63 111.338 111.338 116.269 -4.931 18412 8509 1 20 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.831 -0.189 18412 8510 1 20 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.204 0.914 18412 8511 1 20 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.275 -0.892 18412 8512 1 20 . 1 1 63 63 ILE H H 63 7.631 7.631 7.739 -0.108 18412 8513 1 20 . 1 1 64 64 GLU N N 64 121.049 121.049 121.771 -0.722 18412 8514 1 20 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.141 -0.416 18412 8515 1 20 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.139 0.756 18412 8516 1 20 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.669 0.569 18412 8517 1 20 . 1 1 64 64 GLU H H 64 7.987 7.987 8.552 -0.565 18412 8518 1 20 . 1 1 65 65 HIS N N 65 117.657 117.657 119.084 -1.427 18412 8519 1 20 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.281 0.157 18412 8520 1 20 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.352 -0.330 18412 8521 1 20 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.649 -1.062 18412 8522 1 20 . 1 1 65 65 HIS H H 65 7.513 7.513 7.665 -0.152 18412 8523 1 20 . 1 1 66 66 ILE N N 66 118.281 118.281 119.044 -0.763 18412 8524 1 20 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.427 -0.000 18412 8525 1 20 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.499 -1.761 18412 8526 1 20 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.232 -1.146 18412 8527 1 20 . 1 1 66 66 ILE H H 66 7.924 7.924 7.413 0.511 18412 8528 1 20 . 1 1 67 67 PHE N N 67 121.084 121.084 116.454 4.630 18412 8529 1 20 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.159 0.307 18412 8530 1 20 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.348 -3.666 18412 8531 1 20 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.781 -1.103 18412 8532 1 20 . 1 1 67 67 PHE H H 67 8.737 8.737 8.017 0.720 18412 8533 1 20 . 1 1 68 68 GLU N N 68 120.739 120.739 120.119 0.620 18412 8534 1 20 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.065 0.021 18412 8535 1 20 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.963 1.137 18412 8536 1 20 . 1 1 68 68 GLU CB C 68 29.735 29.735 30.087 -0.351 18412 8537 1 20 . 1 1 68 68 GLU H H 68 8.228 8.228 7.698 0.530 18412 8538 1 20 . 1 1 69 69 ILE N N 69 117.535 117.535 114.531 3.004 18412 8539 1 20 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.863 0.177 18412 8540 1 20 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.015 1.216 18412 8541 1 20 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.934 -0.307 18412 8542 1 20 . 1 1 69 69 ILE H H 69 8.393 8.393 7.799 0.594 18412 8543 1 20 . 1 1 70 70 SER N N 70 115.058 115.058 116.668 -1.610 18412 8544 1 20 . 1 1 70 70 SER HA H 70 4.419 4.419 4.363 0.056 18412 8545 1 20 . 1 1 70 70 SER CA C 70 58.502 58.502 58.059 0.443 18412 8546 1 20 . 1 1 70 70 SER CB C 70 63.029 63.029 64.087 -1.058 18412 8547 1 20 . 1 1 70 70 SER H H 70 7.857 7.857 7.855 0.002 18412 8548 1 20 . 1 1 71 71 ARG N N 71 115.621 115.621 125.235 -9.614 18412 8549 1 20 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.263 -0.361 18412 8550 1 20 . 1 1 71 71 ARG CA C 71 56.452 56.452 55.962 0.490 18412 8551 1 20 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.816 -1.466 18412 8552 1 20 . 1 1 71 71 ARG H H 71 7.753 7.753 8.723 -0.970 18412 8553 1 20 . 1 1 72 72 ARG N N 72 115.226 115.226 120.680 -5.454 18412 8554 1 20 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.862 0.212 18412 8555 1 20 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.767 -4.154 18412 8556 1 20 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.432 -1.870 18412 8557 1 20 . 1 1 72 72 ARG H H 72 8.006 8.006 8.232 -0.226 18412 8558 1 20 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.374 -0.037 18412 8559 1 20 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.948 -0.250 18412 8560 1 20 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.837 -0.508 18412 8561 1 20 . 1 1 74 74 ASP N N 74 118.600 118.600 117.421 1.179 18412 8562 1 20 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.419 -0.239 18412 8563 1 20 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.627 -1.637 18412 8564 1 20 . 1 1 74 74 ASP CB C 74 38.035 38.035 40.155 -2.120 18412 8565 1 20 . 1 1 74 74 ASP H H 74 9.152 9.152 8.728 0.424 18412 8566 1 20 . 1 1 75 75 LEU N N 75 120.762 120.762 119.961 0.801 18412 8567 1 20 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.969 -0.062 18412 8568 1 20 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.141 -0.779 18412 8569 1 20 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.337 -2.698 18412 8570 1 20 . 1 1 75 75 LEU H H 75 7.044 7.044 7.439 -0.395 18412 8571 1 20 . 1 1 76 76 LEU N N 76 118.917 118.917 120.684 -1.767 18412 8572 1 20 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.979 0.139 18412 8573 1 20 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.797 0.056 18412 8574 1 20 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.436 1.170 18412 8575 1 20 . 1 1 76 76 LEU H H 76 7.850 7.850 7.573 0.277 18412 8576 1 20 . 1 1 77 77 THR N N 77 114.574 114.574 115.818 -1.244 18412 8577 1 20 . 1 1 77 77 THR HA H 77 3.830 3.830 3.909 -0.079 18412 8578 1 20 . 1 1 77 77 THR CA C 77 66.882 66.882 66.940 -0.058 18412 8579 1 20 . 1 1 77 77 THR CB C 77 68.991 68.991 68.325 0.666 18412 8580 1 20 . 1 1 77 77 THR H H 77 8.287 8.287 8.269 0.018 18412 8581 1 20 . 1 1 78 78 MET N N 78 118.873 118.873 118.470 0.403 18412 8582 1 20 . 1 1 78 78 MET HA H 78 4.155 4.155 4.149 0.006 18412 8583 1 20 . 1 1 78 78 MET CA C 78 59.838 59.838 57.344 2.494 18412 8584 1 20 . 1 1 78 78 MET CB C 78 32.697 32.697 31.083 1.614 18412 8585 1 20 . 1 1 78 78 MET H H 78 7.032 7.032 7.695 -0.663 18412 8586 1 20 . 1 1 79 79 VAL N N 79 120.046 120.046 119.774 0.272 18412 8587 1 20 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.733 -0.012 18412 8588 1 20 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.570 0.411 18412 8589 1 20 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.587 0.445 18412 8590 1 20 . 1 1 79 79 VAL H H 79 7.633 7.633 7.515 0.118 18412 8591 1 20 . 1 1 80 80 VAL N N 80 121.510 121.510 121.378 0.132 18412 8592 1 20 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.701 -0.160 18412 8593 1 20 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.284 -0.178 18412 8594 1 20 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.415 0.432 18412 8595 1 20 . 1 1 80 80 VAL H H 80 8.601 8.601 8.610 -0.009 18412 8596 1 20 . 1 1 81 81 ASP N N 81 121.760 121.760 119.811 1.949 18412 8597 1 20 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.287 0.066 18412 8598 1 20 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.667 0.009 18412 8599 1 20 . 1 1 81 81 ASP CB C 81 40.571 40.571 41.034 -0.463 18412 8600 1 20 . 1 1 81 81 ASP H H 81 8.677 8.677 8.550 0.127 18412 8601 1 20 . 1 1 82 82 TYR N N 82 121.025 121.025 121.582 -0.557 18412 8602 1 20 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.052 0.135 18412 8603 1 20 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.603 -0.100 18412 8604 1 20 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.502 0.121 18412 8605 1 20 . 1 1 82 82 TYR H H 82 7.608 7.608 8.089 -0.481 18412 8606 1 20 . 1 1 83 83 ARG N N 83 119.379 119.379 118.748 0.631 18412 8607 1 20 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.742 -0.071 18412 8608 1 20 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.504 0.373 18412 8609 1 20 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.706 0.673 18412 8610 1 20 . 1 1 83 83 ARG H H 83 8.596 8.596 8.638 -0.042 18412 8611 1 20 . 1 1 84 84 THR N N 84 113.330 113.330 115.600 -2.270 18412 8612 1 20 . 1 1 84 84 THR HA H 84 3.946 3.946 4.068 -0.122 18412 8613 1 20 . 1 1 84 84 THR CA C 84 65.316 65.316 66.481 -1.165 18412 8614 1 20 . 1 1 84 84 THR CB C 84 69.273 69.273 68.501 0.772 18412 8615 1 20 . 1 1 84 84 THR H H 84 8.305 8.305 7.809 0.496 18412 8616 1 20 . 1 1 85 85 ARG N N 85 121.457 121.457 121.885 -0.428 18412 8617 1 20 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.081 -0.024 18412 8618 1 20 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.276 -0.371 18412 8619 1 20 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.370 1.435 18412 8620 1 20 . 1 1 85 85 ARG H H 85 7.949 7.949 8.074 -0.125 18412 8621 1 20 . 1 1 86 86 VAL N N 86 117.232 117.232 119.764 -2.532 18412 8622 1 20 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.697 0.100 18412 8623 1 20 . 1 1 86 86 VAL CA C 86 64.264 64.264 66.227 -1.963 18412 8624 1 20 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.027 0.680 18412 8625 1 20 . 1 1 86 86 VAL H H 86 7.962 7.962 8.192 -0.230 18412 8626 1 20 . 1 1 87 87 LEU N N 87 120.870 120.870 120.958 -0.088 18412 8627 1 20 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.923 0.235 18412 8628 1 20 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.001 -1.945 18412 8629 1 20 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.536 0.197 18412 8630 1 20 . 1 1 87 87 LEU H H 87 7.463 7.463 7.349 0.114 18412 8631 1 20 . 1 1 88 88 LYS N N 88 118.925 118.925 118.831 0.094 18412 8632 1 20 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.102 0.066 18412 8633 1 20 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.873 -2.183 18412 8634 1 20 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.984 -0.862 18412 8635 1 20 . 1 1 88 88 LYS H H 88 7.602 7.602 7.808 -0.206 18412 8636 1 20 . 1 1 89 89 ILE N N 89 120.845 120.845 119.080 1.765 18412 8637 1 20 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.888 0.161 18412 8638 1 20 . 1 1 89 89 ILE CA C 89 61.867 61.867 63.101 -1.234 18412 8639 1 20 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.679 -0.019 18412 8640 1 20 . 1 1 89 89 ILE H H 89 7.882 7.882 8.191 -0.309 18412 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 86 2.678 0.612 2.623 18412 2 1 1 "Average Difference" HA 86 0.226 0.007 0.227 18412 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18412 4 1 1 "Average Difference" CA 88 1.130 0.194 1.120 18412 5 1 1 "Average Difference" CB 86 1.179 -0.100 1.182 18412 6 1 1 "Average Difference" HN 86 0.437 0.029 0.438 18412 7 1 2 "Average Difference" N 86 2.410 0.515 2.368 18412 8 1 2 "Average Difference" HA 86 0.213 0.011 0.214 18412 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18412 10 1 2 "Average Difference" CA 88 1.040 0.215 1.023 18412 11 1 2 "Average Difference" CB 86 1.212 -0.086 1.216 18412 12 1 2 "Average Difference" HN 86 0.467 0.081 0.462 18412 13 1 3 "Average Difference" N 86 2.613 0.521 2.576 18412 14 1 3 "Average Difference" HA 86 0.207 0.010 0.208 18412 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18412 16 1 3 "Average Difference" CA 88 1.127 0.191 1.117 18412 17 1 3 "Average Difference" CB 86 1.200 -0.100 1.202 18412 18 1 3 "Average Difference" HN 86 0.466 0.075 0.462 18412 19 1 4 "Average Difference" N 86 2.503 0.513 2.464 18412 20 1 4 "Average Difference" HA 86 0.230 0.008 0.231 18412 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18412 22 1 4 "Average Difference" CA 88 1.110 0.215 1.095 18412 23 1 4 "Average Difference" CB 86 1.208 -0.116 1.210 18412 24 1 4 "Average Difference" HN 86 0.483 0.054 0.483 18412 25 1 5 "Average Difference" N 86 2.676 0.665 2.608 18412 26 1 5 "Average Difference" HA 86 0.207 0.013 0.208 18412 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18412 28 1 5 "Average Difference" CA 88 1.110 0.242 1.090 18412 29 1 5 "Average Difference" CB 86 1.206 -0.121 1.207 18412 30 1 5 "Average Difference" HN 86 0.464 0.074 0.461 18412 31 1 6 "Average Difference" N 86 2.626 0.691 2.549 18412 32 1 6 "Average Difference" HA 86 0.210 -0.011 0.211 18412 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18412 34 1 6 "Average Difference" CA 88 1.104 0.261 1.079 18412 35 1 6 "Average Difference" CB 86 1.142 -0.064 1.147 18412 36 1 6 "Average Difference" HN 86 0.458 0.083 0.453 18412 37 1 7 "Average Difference" N 86 2.663 0.635 2.601 18412 38 1 7 "Average Difference" HA 86 0.210 0.013 0.211 18412 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18412 40 1 7 "Average Difference" CA 88 1.125 0.165 1.119 18412 41 1 7 "Average Difference" CB 86 1.162 -0.101 1.164 18412 42 1 7 "Average Difference" HN 86 0.454 0.064 0.452 18412 43 1 8 "Average Difference" N 86 2.615 0.540 2.574 18412 44 1 8 "Average Difference" HA 86 0.212 0.004 0.213 18412 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18412 46 1 8 "Average Difference" CA 88 1.133 0.223 1.117 18412 47 1 8 "Average Difference" CB 86 1.169 -0.074 1.174 18412 48 1 8 "Average Difference" HN 86 0.437 0.038 0.438 18412 49 1 9 "Average Difference" N 86 2.564 0.510 2.528 18412 50 1 9 "Average Difference" HA 86 0.224 0.003 0.225 18412 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18412 52 1 9 "Average Difference" CA 88 1.072 0.224 1.054 18412 53 1 9 "Average Difference" CB 86 1.183 -0.100 1.186 18412 54 1 9 "Average Difference" HN 86 0.471 0.052 0.471 18412 55 1 10 "Average Difference" N 86 2.630 0.539 2.589 18412 56 1 10 "Average Difference" HA 86 0.220 0.008 0.221 18412 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18412 58 1 10 "Average Difference" CA 88 1.036 0.165 1.029 18412 59 1 10 "Average Difference" CB 86 1.224 -0.074 1.229 18412 60 1 10 "Average Difference" HN 86 0.450 0.062 0.449 18412 61 1 11 "Average Difference" N 86 2.659 0.664 2.590 18412 62 1 11 "Average Difference" HA 86 0.231 0.004 0.232 18412 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18412 64 1 11 "Average Difference" CA 88 1.074 0.200 1.061 18412 65 1 11 "Average Difference" CB 86 1.173 -0.096 1.176 18412 66 1 11 "Average Difference" HN 86 0.449 0.049 0.449 18412 67 1 12 "Average Difference" N 86 2.558 0.563 2.510 18412 68 1 12 "Average Difference" HA 86 0.236 0.004 0.237 18412 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18412 70 1 12 "Average Difference" CA 88 1.066 0.213 1.051 18412 71 1 12 "Average Difference" CB 86 1.137 -0.040 1.143 18412 72 1 12 "Average Difference" HN 86 0.469 0.029 0.471 18412 73 1 13 "Average Difference" N 86 2.743 0.665 2.677 18412 74 1 13 "Average Difference" HA 86 0.216 0.009 0.217 18412 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18412 76 1 13 "Average Difference" CA 88 1.146 0.160 1.141 18412 77 1 13 "Average Difference" CB 86 1.190 -0.130 1.190 18412 78 1 13 "Average Difference" HN 86 0.495 0.073 0.493 18412 79 1 14 "Average Difference" N 86 2.526 0.620 2.463 18412 80 1 14 "Average Difference" HA 86 0.222 0.002 0.224 18412 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18412 82 1 14 "Average Difference" CA 88 1.097 0.234 1.078 18412 83 1 14 "Average Difference" CB 86 1.172 -0.089 1.175 18412 84 1 14 "Average Difference" HN 86 0.441 0.050 0.441 18412 85 1 15 "Average Difference" N 86 2.515 0.528 2.473 18412 86 1 15 "Average Difference" HA 86 0.219 0.005 0.220 18412 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18412 88 1 15 "Average Difference" CA 88 1.080 0.206 1.066 18412 89 1 15 "Average Difference" CB 86 1.192 -0.058 1.197 18412 90 1 15 "Average Difference" HN 86 0.466 0.056 0.466 18412 91 1 16 "Average Difference" N 86 2.485 0.604 2.425 18412 92 1 16 "Average Difference" HA 86 0.218 0.011 0.219 18412 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18412 94 1 16 "Average Difference" CA 88 1.104 0.168 1.097 18412 95 1 16 "Average Difference" CB 86 1.193 -0.072 1.197 18412 96 1 16 "Average Difference" HN 86 0.466 0.072 0.464 18412 97 1 17 "Average Difference" N 86 2.567 0.554 2.521 18412 98 1 17 "Average Difference" HA 86 0.214 0.009 0.215 18412 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18412 100 1 17 "Average Difference" CA 88 1.101 0.189 1.091 18412 101 1 17 "Average Difference" CB 86 1.170 -0.067 1.175 18412 102 1 17 "Average Difference" HN 86 0.482 0.073 0.479 18412 103 1 18 "Average Difference" N 86 2.651 0.524 2.614 18412 104 1 18 "Average Difference" HA 86 0.219 0.003 0.221 18412 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18412 106 1 18 "Average Difference" CA 88 1.126 0.209 1.113 18412 107 1 18 "Average Difference" CB 86 1.177 -0.082 1.181 18412 108 1 18 "Average Difference" HN 86 0.448 0.026 0.450 18412 109 1 19 "Average Difference" N 86 2.437 0.493 2.400 18412 110 1 19 "Average Difference" HA 86 0.224 0.009 0.225 18412 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18412 112 1 19 "Average Difference" CA 88 1.033 0.223 1.015 18412 113 1 19 "Average Difference" CB 86 1.227 -0.079 1.232 18412 114 1 19 "Average Difference" HN 86 0.456 0.054 0.455 18412 115 1 20 "Average Difference" N 86 2.560 0.630 2.496 18412 116 1 20 "Average Difference" HA 86 0.224 -0.002 0.225 18412 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18412 118 1 20 "Average Difference" CA 88 1.110 0.268 1.084 18412 119 1 20 "Average Difference" CB 86 1.153 -0.071 1.158 18412 120 1 20 "Average Difference" HN 86 0.452 0.066 0.450 18412 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 18412 _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 ALA N N 2 124.384 124.384 123.992 0.392 18412 2 1 . 1 1 2 2 ALA HA H 2 4.199 4.199 4.179 0.020 18412 3 1 . 1 1 2 2 ALA CA C 2 54.652 54.652 55.153 -0.501 18412 4 1 . 1 1 2 2 ALA CB C 2 18.385 18.385 17.935 0.450 18412 5 1 . 1 1 2 2 ALA H H 2 8.326 8.326 8.503 -0.177 18412 6 1 . 1 1 3 3 GLU N N 3 118.800 118.800 118.142 0.658 18412 7 1 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.098 0.100 18412 8 1 . 1 1 3 3 GLU CA C 3 59.404 59.404 59.610 -0.206 18412 9 1 . 1 1 3 3 GLU CB C 3 29.556 29.556 29.043 0.513 18412 10 1 . 1 1 3 3 GLU H H 3 8.411 8.411 9.101 -0.690 18412 11 1 . 1 1 4 4 TYR N N 4 123.838 123.838 120.605 3.233 18412 12 1 . 1 1 4 4 TYR HA H 4 4.004 4.004 3.610 0.394 18412 13 1 . 1 1 4 4 TYR CA C 4 60.632 60.632 60.262 0.370 18412 14 1 . 1 1 4 4 TYR CB C 4 38.402 38.402 37.714 0.688 18412 15 1 . 1 1 4 4 TYR H H 4 8.448 8.448 8.368 0.080 18412 16 1 . 1 1 5 5 GLY N N 5 105.816 105.816 106.187 -0.371 18412 17 1 . 1 1 5 5 GLY CA C 5 47.142 47.142 47.455 -0.313 18412 18 1 . 1 1 5 5 GLY H H 5 8.250 8.250 8.316 -0.066 18412 19 1 . 1 1 6 6 THR N N 6 119.523 119.523 119.142 0.381 18412 20 1 . 1 1 6 6 THR HA H 6 3.802 3.802 3.965 -0.163 18412 21 1 . 1 1 6 6 THR CA C 6 66.449 66.449 65.926 0.524 18412 22 1 . 1 1 6 6 THR CB C 6 68.391 68.391 68.780 -0.389 18412 23 1 . 1 1 6 6 THR H H 6 7.868 7.868 7.894 -0.026 18412 24 1 . 1 1 7 7 LEU N N 7 123.502 123.502 123.145 0.356 18412 25 1 . 1 1 7 7 LEU HA H 7 4.239 4.239 3.884 0.355 18412 26 1 . 1 1 7 7 LEU CA C 7 58.225 58.225 58.008 0.216 18412 27 1 . 1 1 7 7 LEU CB C 7 39.753 39.753 41.009 -1.256 18412 28 1 . 1 1 7 7 LEU H H 7 7.594 7.594 8.157 -0.563 18412 29 1 . 1 1 8 8 LEU N N 8 115.222 115.222 117.661 -2.439 18412 30 1 . 1 1 8 8 LEU HA H 8 3.273 3.273 3.333 -0.060 18412 31 1 . 1 1 8 8 LEU CA C 8 58.134 58.134 58.166 -0.032 18412 32 1 . 1 1 8 8 LEU CB C 8 40.136 40.136 39.941 0.195 18412 33 1 . 1 1 8 8 LEU H H 8 7.654 7.654 7.791 -0.137 18412 34 1 . 1 1 9 9 GLN N N 9 120.743 120.743 119.105 1.638 18412 35 1 . 1 1 9 9 GLN HA H 9 3.879 3.879 3.953 -0.074 18412 36 1 . 1 1 9 9 GLN CA C 9 58.776 58.776 59.100 -0.324 18412 37 1 . 1 1 9 9 GLN CB C 9 28.928 28.928 28.022 0.906 18412 38 1 . 1 1 9 9 GLN H H 9 7.688 7.688 7.559 0.129 18412 39 1 . 1 1 10 10 ASP N N 10 122.554 122.554 120.637 1.917 18412 40 1 . 1 1 10 10 ASP HA H 10 4.333 4.333 4.352 -0.019 18412 41 1 . 1 1 10 10 ASP CA C 10 57.677 57.677 57.451 0.226 18412 42 1 . 1 1 10 10 ASP CB C 10 39.937 39.937 40.449 -0.512 18412 43 1 . 1 1 10 10 ASP H H 10 8.656 8.656 8.168 0.488 18412 44 1 . 1 1 11 11 LEU N N 11 119.408 119.408 117.387 2.021 18412 45 1 . 1 1 11 11 LEU HA H 11 3.886 3.886 4.218 -0.332 18412 46 1 . 1 1 11 11 LEU CA C 11 58.485 58.485 57.980 0.505 18412 47 1 . 1 1 11 11 LEU CB C 11 43.253 43.253 41.038 2.215 18412 48 1 . 1 1 11 11 LEU H H 11 8.805 8.805 7.723 1.083 18412 49 1 . 1 1 12 12 THR N N 12 113.945 113.945 115.831 -1.886 18412 50 1 . 1 1 12 12 THR HA H 12 3.875 3.875 4.051 -0.176 18412 51 1 . 1 1 12 12 THR CA C 12 67.829 67.829 66.834 0.995 18412 52 1 . 1 1 12 12 THR CB C 12 68.521 68.521 68.383 0.138 18412 53 1 . 1 1 12 12 THR H H 12 8.305 8.305 8.069 0.236 18412 54 1 . 1 1 13 13 ASN N N 13 119.138 119.138 117.917 1.221 18412 55 1 . 1 1 13 13 ASN HA H 13 4.590 4.590 4.573 0.017 18412 56 1 . 1 1 13 13 ASN CA C 13 54.650 54.650 55.580 -0.930 18412 57 1 . 1 1 13 13 ASN CB C 13 38.263 38.263 38.299 -0.036 18412 58 1 . 1 1 13 13 ASN H H 13 8.180 8.180 8.356 -0.176 18412 59 1 . 1 1 14 14 ASN N N 14 117.905 117.905 115.879 2.026 18412 60 1 . 1 1 14 14 ASN HA H 14 4.826 4.826 4.706 0.120 18412 61 1 . 1 1 14 14 ASN CA C 14 53.358 53.358 53.252 0.106 18412 62 1 . 1 1 14 14 ASN CB C 14 41.458 41.458 39.467 1.991 18412 63 1 . 1 1 14 14 ASN H H 14 7.778 7.778 7.637 0.141 18412 64 1 . 1 1 15 15 ILE N N 15 120.690 120.690 121.741 -1.051 18412 65 1 . 1 1 15 15 ILE HA H 15 4.711 4.711 4.107 0.604 18412 66 1 . 1 1 15 15 ILE CA C 15 60.877 60.877 60.619 0.258 18412 67 1 . 1 1 15 15 ILE CB C 15 41.344 41.344 36.762 4.583 18412 68 1 . 1 1 15 15 ILE H H 15 7.234 7.234 7.403 -0.169 18412 69 1 . 1 1 16 16 THR N N 16 120.066 120.066 119.002 1.064 18412 70 1 . 1 1 16 16 THR HA H 16 4.536 4.536 4.541 -0.005 18412 71 1 . 1 1 16 16 THR CA C 16 60.804 60.804 60.083 0.721 18412 72 1 . 1 1 16 16 THR CB C 16 71.263 71.263 71.419 -0.156 18412 73 1 . 1 1 16 16 THR H H 16 9.188 9.188 8.059 1.129 18412 74 1 . 1 1 17 17 LEU N N 17 121.043 121.043 123.539 -2.496 18412 75 1 . 1 1 17 17 LEU HA H 17 3.996 3.996 3.904 0.092 18412 76 1 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.852 -0.159 18412 77 1 . 1 1 17 17 LEU CB C 17 41.327 41.327 41.462 -0.136 18412 78 1 . 1 1 17 17 LEU H H 17 8.662 8.662 8.895 -0.233 18412 79 1 . 1 1 18 18 GLU N N 18 118.968 118.968 118.654 0.314 18412 80 1 . 1 1 18 18 GLU HA H 18 3.947 3.947 3.941 0.006 18412 81 1 . 1 1 18 18 GLU CA C 18 59.986 59.986 59.648 0.338 18412 82 1 . 1 1 18 18 GLU CB C 18 29.148 29.148 29.148 -0.000 18412 83 1 . 1 1 18 18 GLU H H 18 8.374 8.374 8.576 -0.202 18412 84 1 . 1 1 19 19 ASP N N 19 121.542 121.542 121.056 0.486 18412 85 1 . 1 1 19 19 ASP HA H 19 4.143 4.143 4.332 -0.189 18412 86 1 . 1 1 19 19 ASP CA C 19 56.591 56.591 57.431 -0.840 18412 87 1 . 1 1 19 19 ASP CB C 19 41.312 41.312 40.513 0.799 18412 88 1 . 1 1 19 19 ASP H H 19 7.857 7.857 8.469 -0.612 18412 89 1 . 1 1 20 20 LEU N N 20 120.904 120.904 120.505 0.400 18412 90 1 . 1 1 20 20 LEU HA H 20 3.417 3.417 3.709 -0.292 18412 91 1 . 1 1 20 20 LEU CA C 20 56.914 56.914 58.223 -1.308 18412 92 1 . 1 1 20 20 LEU CB C 20 41.102 41.102 41.620 -0.518 18412 93 1 . 1 1 20 20 LEU H H 20 8.412 8.412 8.359 0.053 18412 94 1 . 1 1 21 21 GLU N N 21 117.187 117.187 118.324 -1.137 18412 95 1 . 1 1 21 21 GLU HA H 21 3.798 3.798 3.764 0.034 18412 96 1 . 1 1 21 21 GLU CA C 21 59.271 59.271 59.586 -0.315 18412 97 1 . 1 1 21 21 GLU CB C 21 28.917 28.917 28.993 -0.076 18412 98 1 . 1 1 21 21 GLU H H 21 7.462 7.462 8.099 -0.637 18412 99 1 . 1 1 22 22 GLN N N 22 118.617 118.617 120.262 -1.645 18412 100 1 . 1 1 22 22 GLN HA H 22 4.019 4.019 4.066 -0.047 18412 101 1 . 1 1 22 22 GLN CA C 22 58.587 58.587 58.617 -0.030 18412 102 1 . 1 1 22 22 GLN CB C 22 28.235 28.235 28.520 -0.285 18412 103 1 . 1 1 22 22 GLN H H 22 7.135 7.135 7.875 -0.740 18412 104 1 . 1 1 23 23 LEU N N 23 121.325 121.325 120.397 0.928 18412 105 1 . 1 1 23 23 LEU HA H 23 3.705 3.705 3.813 -0.108 18412 106 1 . 1 1 23 23 LEU CA C 23 57.785 57.785 57.675 0.110 18412 107 1 . 1 1 23 23 LEU CB C 23 39.620 39.620 41.199 -1.579 18412 108 1 . 1 1 23 23 LEU H H 23 7.833 7.833 8.075 -0.242 18412 109 1 . 1 1 24 24 LYS N N 24 116.045 116.045 118.829 -2.784 18412 110 1 . 1 1 24 24 LYS HA H 24 3.650 3.650 3.632 0.018 18412 111 1 . 1 1 24 24 LYS CA C 24 60.545 60.545 59.228 1.317 18412 112 1 . 1 1 24 24 LYS CB C 24 31.812 31.812 31.783 0.029 18412 113 1 . 1 1 24 24 LYS H H 24 8.307 8.307 8.339 -0.032 18412 114 1 . 1 1 25 25 SER N N 25 116.071 116.071 115.363 0.708 18412 115 1 . 1 1 25 25 SER HA H 25 4.111 4.111 4.119 -0.008 18412 116 1 . 1 1 25 25 SER CA C 25 61.557 61.557 61.592 -0.035 18412 117 1 . 1 1 25 25 SER CB C 25 62.565 62.565 62.704 -0.139 18412 118 1 . 1 1 25 25 SER H H 25 7.781 7.781 7.890 -0.109 18412 119 1 . 1 1 26 26 ALA N N 26 123.448 123.448 124.463 -1.015 18412 120 1 . 1 1 26 26 ALA HA H 26 4.175 4.175 4.058 0.117 18412 121 1 . 1 1 26 26 ALA CA C 26 54.249 54.249 54.823 -0.574 18412 122 1 . 1 1 26 26 ALA CB C 26 18.713 18.713 18.371 0.342 18412 123 1 . 1 1 26 26 ALA H H 26 7.735 7.735 7.938 -0.203 18412 124 1 . 1 1 27 27 CYS N N 27 113.480 113.480 115.855 -2.375 18412 125 1 . 1 1 27 27 CYS HA H 27 4.631 4.631 4.381 0.249 18412 126 1 . 1 1 27 27 CYS CA C 27 59.381 59.381 60.315 -0.934 18412 127 1 . 1 1 27 27 CYS CB C 27 28.634 28.634 26.568 2.067 18412 128 1 . 1 1 27 27 CYS H H 27 7.390 7.390 8.292 -0.902 18412 129 1 . 1 1 28 28 LYS N N 28 118.354 118.354 120.768 -2.414 18412 130 1 . 1 1 28 28 LYS HA H 28 3.945 3.945 3.997 -0.052 18412 131 1 . 1 1 28 28 LYS CA C 28 58.420 58.420 59.337 -0.918 18412 132 1 . 1 1 28 28 LYS CB C 28 31.547 31.547 31.702 -0.155 18412 133 1 . 1 1 28 28 LYS H H 28 7.634 7.634 7.473 0.161 18412 134 1 . 1 1 29 29 GLU N N 29 118.875 118.875 117.573 1.302 18412 135 1 . 1 1 29 29 GLU HA H 29 4.157 4.157 4.201 -0.044 18412 136 1 . 1 1 29 29 GLU CA C 29 58.240 58.240 58.325 -0.085 18412 137 1 . 1 1 29 29 GLU CB C 29 28.864 28.864 29.657 -0.793 18412 138 1 . 1 1 29 29 GLU H H 29 8.552 8.552 8.440 0.112 18412 139 1 . 1 1 30 30 ASP N N 30 117.610 117.610 118.096 -0.486 18412 140 1 . 1 1 30 30 ASP HA H 30 4.588 4.588 4.685 -0.097 18412 141 1 . 1 1 30 30 ASP CA C 30 55.883 55.883 55.599 0.284 18412 142 1 . 1 1 30 30 ASP CB C 30 41.527 41.527 41.909 -0.381 18412 143 1 . 1 1 30 30 ASP H H 30 7.962 7.962 7.746 0.216 18412 144 1 . 1 1 31 31 ILE N N 31 116.930 116.930 122.168 -5.238 18412 145 1 . 1 1 31 31 ILE HA H 31 4.367 4.367 4.693 -0.326 18412 146 1 . 1 1 31 31 ILE CA C 31 58.033 58.033 57.388 0.645 18412 147 1 . 1 1 31 31 ILE CB C 31 38.769 38.769 39.885 -1.116 18412 148 1 . 1 1 31 31 ILE H H 31 7.317 7.317 8.303 -0.986 18412 149 1 . 1 1 32 32 PRO HA H 32 4.461 4.461 4.604 -0.143 18412 150 1 . 1 1 32 32 PRO CA C 32 62.845 62.845 62.919 -0.074 18412 151 1 . 1 1 32 32 PRO CB C 32 32.514 32.514 32.454 0.060 18412 152 1 . 1 1 33 33 SER N N 33 119.808 119.808 119.505 0.303 18412 153 1 . 1 1 33 33 SER HA H 33 4.141 4.141 3.920 0.221 18412 154 1 . 1 1 33 33 SER CA C 33 61.125 61.125 62.365 -1.240 18412 155 1 . 1 1 33 33 SER CB C 33 63.000 63.000 63.126 -0.126 18412 156 1 . 1 1 33 33 SER H H 33 8.778 8.778 8.904 -0.126 18412 157 1 . 1 1 34 34 GLU N N 34 120.906 120.906 119.513 1.393 18412 158 1 . 1 1 34 34 GLU HA H 34 4.205 4.205 4.084 0.121 18412 159 1 . 1 1 34 34 GLU CA C 34 58.700 58.700 59.510 -0.810 18412 160 1 . 1 1 34 34 GLU CB C 34 28.712 28.712 29.346 -0.634 18412 161 1 . 1 1 34 34 GLU H H 34 9.336 9.336 8.685 0.651 18412 162 1 . 1 1 35 35 LYS N N 35 117.698 117.698 117.494 0.204 18412 163 1 . 1 1 35 35 LYS HA H 35 4.347 4.347 4.017 0.330 18412 164 1 . 1 1 35 35 LYS CA C 35 55.460 55.460 57.642 -2.182 18412 165 1 . 1 1 35 35 LYS CB C 35 32.257 32.257 31.552 0.705 18412 166 1 . 1 1 35 35 LYS H H 35 7.659 7.659 7.790 -0.131 18412 167 1 . 1 1 36 36 SER N N 36 114.472 114.472 115.517 -1.045 18412 168 1 . 1 1 36 36 SER HA H 36 3.652 3.652 4.027 -0.375 18412 169 1 . 1 1 36 36 SER CA C 36 61.450 61.450 61.416 0.034 18412 170 1 . 1 1 36 36 SER CB C 36 62.820 62.820 62.852 -0.032 18412 171 1 . 1 1 36 36 SER H H 36 7.732 7.732 8.475 -0.743 18412 172 1 . 1 1 37 37 GLU N N 37 118.258 118.258 120.493 -2.235 18412 173 1 . 1 1 37 37 GLU HA H 37 3.970 3.970 4.025 -0.055 18412 174 1 . 1 1 37 37 GLU CA C 37 58.113 58.113 58.866 -0.753 18412 175 1 . 1 1 37 37 GLU CB C 37 29.544 29.544 29.385 0.159 18412 176 1 . 1 1 37 37 GLU H H 37 8.187 8.187 7.737 0.450 18412 177 1 . 1 1 38 38 GLU N N 38 115.652 115.652 116.493 -0.841 18412 178 1 . 1 1 38 38 GLU HA H 38 4.196 4.196 4.260 -0.064 18412 179 1 . 1 1 38 38 GLU CA C 38 56.494 56.494 56.449 0.045 18412 180 1 . 1 1 38 38 GLU CB C 38 30.102 30.102 29.411 0.691 18412 181 1 . 1 1 38 38 GLU H H 38 7.472 7.472 7.761 -0.289 18412 182 1 . 1 1 39 39 ILE N N 39 121.367 121.367 123.186 -1.819 18412 183 1 . 1 1 39 39 ILE HA H 39 3.985 3.985 4.123 -0.138 18412 184 1 . 1 1 39 39 ILE CA C 39 60.919 60.919 61.098 -0.179 18412 185 1 . 1 1 39 39 ILE CB C 39 37.404 37.404 35.874 1.530 18412 186 1 . 1 1 39 39 ILE H H 39 7.504 7.504 7.281 0.223 18412 187 1 . 1 1 40 40 THR N N 40 115.102 115.102 117.453 -2.351 18412 188 1 . 1 1 40 40 THR HA H 40 4.459 4.459 4.345 0.114 18412 189 1 . 1 1 40 40 THR CA C 40 61.169 61.169 62.555 -1.386 18412 190 1 . 1 1 40 40 THR CB C 40 69.913 69.913 68.997 0.916 18412 191 1 . 1 1 40 40 THR H H 40 8.173 8.173 8.008 0.165 18412 192 1 . 1 1 41 41 THR N N 41 108.664 108.664 112.762 -4.098 18412 193 1 . 1 1 41 41 THR HA H 41 4.602 4.602 4.518 0.084 18412 194 1 . 1 1 41 41 THR CA C 41 59.116 59.116 60.657 -1.541 18412 195 1 . 1 1 41 41 THR CB C 41 73.442 73.442 70.672 2.770 18412 196 1 . 1 1 41 41 THR H H 41 7.104 7.104 7.331 -0.227 18412 197 1 . 1 1 42 42 GLY N N 42 109.200 109.200 111.702 -2.502 18412 198 1 . 1 1 42 42 GLY CA C 42 47.511 47.511 47.252 0.259 18412 199 1 . 1 1 42 42 GLY H H 42 9.196 9.196 9.018 0.178 18412 200 1 . 1 1 43 43 SER N N 43 114.564 114.564 117.579 -3.015 18412 201 1 . 1 1 43 43 SER HA H 43 4.360 4.360 4.347 0.013 18412 202 1 . 1 1 43 43 SER CA C 43 61.523 61.523 61.737 -0.214 18412 203 1 . 1 1 43 43 SER CB C 43 62.448 62.448 63.125 -0.677 18412 204 1 . 1 1 43 43 SER H H 43 8.208 8.208 8.331 -0.123 18412 205 1 . 1 1 44 44 ALA N N 44 123.757 123.757 124.495 -0.738 18412 206 1 . 1 1 44 44 ALA HA H 44 4.281 4.281 4.217 0.064 18412 207 1 . 1 1 44 44 ALA CA C 44 54.526 54.526 54.943 -0.417 18412 208 1 . 1 1 44 44 ALA CB C 44 19.333 19.333 18.198 1.135 18412 209 1 . 1 1 44 44 ALA H H 44 7.964 7.964 8.155 -0.191 18412 210 1 . 1 1 45 45 TRP N N 45 122.904 122.904 120.511 2.393 18412 211 1 . 1 1 45 45 TRP HA H 45 4.228 4.228 4.397 -0.169 18412 212 1 . 1 1 45 45 TRP CA C 45 61.630 61.630 60.371 1.259 18412 213 1 . 1 1 45 45 TRP CB C 45 27.524 27.524 29.200 -1.676 18412 214 1 . 1 1 45 45 TRP H H 45 8.001 8.001 7.768 0.233 18412 215 1 . 1 1 46 46 PHE N N 46 116.699 116.699 118.493 -1.794 18412 216 1 . 1 1 46 46 PHE HA H 46 3.886 3.886 3.621 0.265 18412 217 1 . 1 1 46 46 PHE CA C 46 61.692 61.692 61.993 -0.301 18412 218 1 . 1 1 46 46 PHE CB C 46 37.845 37.845 38.044 -0.198 18412 219 1 . 1 1 46 46 PHE H H 46 8.250 8.250 8.049 0.201 18412 220 1 . 1 1 47 47 SER N N 47 113.740 113.740 115.728 -1.988 18412 221 1 . 1 1 47 47 SER HA H 47 4.419 4.419 4.389 0.030 18412 222 1 . 1 1 47 47 SER CA C 47 61.723 61.723 61.623 0.100 18412 223 1 . 1 1 47 47 SER CB C 47 62.769 62.769 62.654 0.115 18412 224 1 . 1 1 47 47 SER H H 47 8.331 8.331 8.841 -0.510 18412 225 1 . 1 1 48 48 PHE N N 48 124.310 124.310 124.215 0.095 18412 226 1 . 1 1 48 48 PHE HA H 48 4.252 4.252 4.202 0.050 18412 227 1 . 1 1 48 48 PHE CA C 48 61.787 61.787 60.977 0.810 18412 228 1 . 1 1 48 48 PHE CB C 48 38.931 38.931 38.785 0.146 18412 229 1 . 1 1 48 48 PHE H H 48 8.175 8.175 8.033 0.142 18412 230 1 . 1 1 49 49 LEU N N 49 120.565 120.565 120.392 0.173 18412 231 1 . 1 1 49 49 LEU HA H 49 3.522 3.522 3.343 0.179 18412 232 1 . 1 1 49 49 LEU CA C 49 58.233 58.233 58.030 0.203 18412 233 1 . 1 1 49 49 LEU CB C 49 41.525 41.525 41.388 0.137 18412 234 1 . 1 1 49 49 LEU H H 49 8.212 8.212 8.455 -0.243 18412 235 1 . 1 1 50 50 GLU N N 50 120.639 120.639 117.831 2.808 18412 236 1 . 1 1 50 50 GLU HA H 50 4.576 4.576 4.221 0.355 18412 237 1 . 1 1 50 50 GLU CA C 50 59.176 59.176 58.870 0.305 18412 238 1 . 1 1 50 50 GLU CB C 50 30.624 30.624 29.455 1.169 18412 239 1 . 1 1 50 50 GLU H H 50 8.702 8.702 8.657 0.045 18412 240 1 . 1 1 51 51 SER N N 51 116.044 116.044 113.189 2.855 18412 241 1 . 1 1 51 51 SER HA H 51 4.178 4.178 4.291 -0.113 18412 242 1 . 1 1 51 51 SER CA C 51 60.575 60.575 60.488 0.087 18412 243 1 . 1 1 51 51 SER CB C 51 62.881 62.881 63.640 -0.759 18412 244 1 . 1 1 51 51 SER H H 51 8.272 8.272 7.640 0.632 18412 245 1 . 1 1 52 52 HIS N N 52 118.134 118.134 118.126 0.008 18412 246 1 . 1 1 52 52 HIS HA H 52 4.404 4.404 4.586 -0.182 18412 247 1 . 1 1 52 52 HIS CA C 52 56.417 56.417 53.777 2.640 18412 248 1 . 1 1 52 52 HIS CB C 52 28.420 28.420 31.219 -2.799 18412 249 1 . 1 1 52 52 HIS H H 52 7.217 7.217 7.445 -0.228 18412 250 1 . 1 1 53 53 ASN N N 53 113.597 113.597 118.905 -5.308 18412 251 1 . 1 1 53 53 ASN HA H 53 4.510 4.510 4.653 -0.143 18412 252 1 . 1 1 53 53 ASN CA C 53 54.805 54.805 53.410 1.395 18412 253 1 . 1 1 53 53 ASN CB C 53 36.763 36.763 37.524 -0.761 18412 254 1 . 1 1 53 53 ASN H H 53 7.893 7.893 8.774 -0.881 18412 255 1 . 1 1 54 54 LYS N N 54 113.123 113.123 118.653 -5.530 18412 256 1 . 1 1 54 54 LYS HA H 54 4.235 4.235 4.329 -0.094 18412 257 1 . 1 1 54 54 LYS CA C 54 54.263 54.263 55.296 -1.033 18412 258 1 . 1 1 54 54 LYS CB C 54 33.545 33.545 33.187 0.358 18412 259 1 . 1 1 54 54 LYS H H 54 8.082 8.082 7.628 0.454 18412 260 1 . 1 1 55 55 LEU N N 55 120.215 120.215 120.071 0.144 18412 261 1 . 1 1 55 55 LEU HA H 55 4.655 4.655 4.610 0.045 18412 262 1 . 1 1 55 55 LEU CA C 55 55.267 55.267 54.974 0.293 18412 263 1 . 1 1 55 55 LEU CB C 55 46.377 46.377 43.592 2.785 18412 264 1 . 1 1 55 55 LEU H H 55 6.882 6.882 7.323 -0.441 18412 265 1 . 1 1 56 56 ASP N N 56 120.831 120.831 127.105 -6.274 18412 266 1 . 1 1 56 56 ASP HA H 56 4.392 4.392 4.694 -0.302 18412 267 1 . 1 1 56 56 ASP CA C 56 53.666 53.666 54.228 -0.562 18412 268 1 . 1 1 56 56 ASP CB C 56 42.315 42.315 42.748 -0.433 18412 269 1 . 1 1 56 56 ASP H H 56 8.078 8.078 8.530 -0.452 18412 270 1 . 1 1 57 57 LYS N N 57 115.203 115.203 119.026 -3.823 18412 271 1 . 1 1 57 57 LYS HA H 57 3.365 3.365 4.124 -0.759 18412 272 1 . 1 1 57 57 LYS CA C 57 58.652 58.652 58.978 -0.326 18412 273 1 . 1 1 57 57 LYS CB C 57 31.318 31.318 32.154 -0.836 18412 274 1 . 1 1 57 57 LYS H H 57 7.958 7.958 8.619 -0.661 18412 275 1 . 1 1 58 58 ASP N N 58 118.074 118.074 115.028 3.046 18412 276 1 . 1 1 58 58 ASP HA H 58 4.957 4.957 4.368 0.589 18412 277 1 . 1 1 58 58 ASP CA C 58 54.283 54.283 54.746 -0.463 18412 278 1 . 1 1 58 58 ASP CB C 58 43.059 43.059 41.044 2.015 18412 279 1 . 1 1 58 58 ASP H H 58 8.336 8.336 8.142 0.194 18412 280 1 . 1 1 59 59 ASN N N 59 119.835 119.835 118.532 1.303 18412 281 1 . 1 1 59 59 ASN HA H 59 4.960 4.960 4.740 0.220 18412 282 1 . 1 1 59 59 ASN CA C 59 52.729 52.729 53.404 -0.675 18412 283 1 . 1 1 59 59 ASN CB C 59 38.877 38.877 38.977 -0.100 18412 284 1 . 1 1 59 59 ASN H H 59 7.850 7.850 8.097 -0.247 18412 285 1 . 1 1 60 60 LEU N N 60 125.541 125.541 120.520 5.021 18412 286 1 . 1 1 60 60 LEU HA H 60 4.560 4.560 5.025 -0.465 18412 287 1 . 1 1 60 60 LEU CA C 60 54.248 54.248 56.360 -2.112 18412 288 1 . 1 1 60 60 LEU CB C 60 42.190 42.190 42.745 -0.555 18412 289 1 . 1 1 60 60 LEU H H 60 8.995 8.995 8.381 0.614 18412 290 1 . 1 1 61 61 SER N N 61 114.344 114.344 117.797 -3.453 18412 291 1 . 1 1 61 61 SER HA H 61 4.159 4.159 4.273 -0.114 18412 292 1 . 1 1 61 61 SER CA C 61 62.002 62.002 61.890 0.112 18412 293 1 . 1 1 61 61 SER CB C 61 62.987 62.987 62.761 0.226 18412 294 1 . 1 1 61 61 SER H H 61 7.880 7.880 8.308 -0.428 18412 295 1 . 1 1 62 62 TYR N N 62 125.087 125.087 121.938 3.149 18412 296 1 . 1 1 62 62 TYR HA H 62 4.299 4.299 4.276 0.023 18412 297 1 . 1 1 62 62 TYR CA C 62 62.205 62.205 60.818 1.387 18412 298 1 . 1 1 62 62 TYR CB C 62 38.925 38.925 38.327 0.598 18412 299 1 . 1 1 62 62 TYR H H 62 8.765 8.765 8.228 0.537 18412 300 1 . 1 1 63 63 ILE N N 63 111.338 111.338 116.286 -4.948 18412 301 1 . 1 1 63 63 ILE HA H 63 3.642 3.642 3.653 -0.011 18412 302 1 . 1 1 63 63 ILE CA C 63 65.118 65.118 64.089 1.029 18412 303 1 . 1 1 63 63 ILE CB C 63 37.383 37.383 38.077 -0.694 18412 304 1 . 1 1 63 63 ILE H H 63 7.631 7.631 7.742 -0.111 18412 305 1 . 1 1 64 64 GLU N N 64 121.049 121.049 122.069 -1.020 18412 306 1 . 1 1 64 64 GLU HA H 64 3.725 3.725 4.106 -0.381 18412 307 1 . 1 1 64 64 GLU CA C 64 60.895 60.895 60.174 0.721 18412 308 1 . 1 1 64 64 GLU CB C 64 30.238 30.238 29.625 0.613 18412 309 1 . 1 1 64 64 GLU H H 64 7.987 7.987 8.497 -0.509 18412 310 1 . 1 1 65 65 HIS N N 65 117.657 117.657 119.174 -1.517 18412 311 1 . 1 1 65 65 HIS HA H 65 4.438 4.438 4.334 0.104 18412 312 1 . 1 1 65 65 HIS CA C 65 59.022 59.022 59.459 -0.437 18412 313 1 . 1 1 65 65 HIS CB C 65 28.587 28.587 29.662 -1.075 18412 314 1 . 1 1 65 65 HIS H H 65 7.513 7.513 7.909 -0.396 18412 315 1 . 1 1 66 66 ILE N N 66 118.281 118.281 119.030 -0.749 18412 316 1 . 1 1 66 66 ILE HA H 66 3.427 3.427 3.459 -0.032 18412 317 1 . 1 1 66 66 ILE CA C 66 61.738 61.738 63.603 -1.865 18412 318 1 . 1 1 66 66 ILE CB C 66 35.086 35.086 36.194 -1.108 18412 319 1 . 1 1 66 66 ILE H H 66 7.924 7.924 7.548 0.376 18412 320 1 . 1 1 67 67 PHE N N 67 121.084 121.084 116.798 4.286 18412 321 1 . 1 1 67 67 PHE HA H 67 4.466 4.466 4.201 0.265 18412 322 1 . 1 1 67 67 PHE CA C 67 57.682 57.682 61.037 -3.355 18412 323 1 . 1 1 67 67 PHE CB C 67 36.678 36.678 37.746 -1.068 18412 324 1 . 1 1 67 67 PHE H H 67 8.737 8.737 8.009 0.728 18412 325 1 . 1 1 68 68 GLU N N 68 120.739 120.739 119.990 0.749 18412 326 1 . 1 1 68 68 GLU HA H 68 4.086 4.086 4.083 0.003 18412 327 1 . 1 1 68 68 GLU CA C 68 60.100 60.100 58.992 1.108 18412 328 1 . 1 1 68 68 GLU CB C 68 29.735 29.735 29.841 -0.106 18412 329 1 . 1 1 68 68 GLU H H 68 8.228 8.228 7.569 0.659 18412 330 1 . 1 1 69 69 ILE N N 69 117.535 117.535 114.039 3.496 18412 331 1 . 1 1 69 69 ILE HA H 69 4.040 4.040 3.902 0.138 18412 332 1 . 1 1 69 69 ILE CA C 69 64.231 64.231 63.064 1.167 18412 333 1 . 1 1 69 69 ILE CB C 69 37.627 37.627 37.979 -0.352 18412 334 1 . 1 1 69 69 ILE H H 69 8.393 8.393 7.845 0.548 18412 335 1 . 1 1 70 70 SER N N 70 115.058 115.058 116.247 -1.189 18412 336 1 . 1 1 70 70 SER HA H 70 4.419 4.419 4.362 0.057 18412 337 1 . 1 1 70 70 SER CA C 70 58.502 58.502 57.746 0.756 18412 338 1 . 1 1 70 70 SER CB C 70 63.029 63.029 64.277 -1.248 18412 339 1 . 1 1 70 70 SER H H 70 7.857 7.857 7.832 0.025 18412 340 1 . 1 1 71 71 ARG N N 71 115.621 115.621 125.239 -9.618 18412 341 1 . 1 1 71 71 ARG HA H 71 3.902 3.902 4.273 -0.371 18412 342 1 . 1 1 71 71 ARG CA C 71 56.452 56.452 56.020 0.432 18412 343 1 . 1 1 71 71 ARG CB C 71 26.350 26.350 27.756 -1.406 18412 344 1 . 1 1 71 71 ARG H H 71 7.753 7.753 8.683 -0.930 18412 345 1 . 1 1 72 72 ARG N N 72 115.226 115.226 119.888 -4.662 18412 346 1 . 1 1 72 72 ARG HA H 72 5.074 5.074 4.882 0.192 18412 347 1 . 1 1 72 72 ARG CA C 72 49.613 49.613 53.822 -4.209 18412 348 1 . 1 1 72 72 ARG CB C 72 28.562 28.562 30.685 -2.123 18412 349 1 . 1 1 72 72 ARG H H 72 8.006 8.006 8.396 -0.391 18412 350 1 . 1 1 73 73 PRO HA H 73 4.337 4.337 4.473 -0.136 18412 351 1 . 1 1 73 73 PRO CA C 73 64.698 64.698 64.750 -0.052 18412 352 1 . 1 1 73 73 PRO CB C 73 31.329 31.329 31.870 -0.541 18412 353 1 . 1 1 74 74 ASP N N 74 118.600 118.600 118.715 -0.115 18412 354 1 . 1 1 74 74 ASP HA H 74 4.180 4.180 4.420 -0.239 18412 355 1 . 1 1 74 74 ASP CA C 74 55.990 55.990 57.495 -1.505 18412 356 1 . 1 1 74 74 ASP CB C 74 38.035 38.035 39.999 -1.964 18412 357 1 . 1 1 74 74 ASP H H 74 9.152 9.152 8.642 0.510 18412 358 1 . 1 1 75 75 LEU N N 75 120.762 120.762 119.902 0.860 18412 359 1 . 1 1 75 75 LEU HA H 75 3.907 3.907 3.958 -0.052 18412 360 1 . 1 1 75 75 LEU CA C 75 56.362 56.362 57.179 -0.817 18412 361 1 . 1 1 75 75 LEU CB C 75 38.639 38.639 41.268 -2.629 18412 362 1 . 1 1 75 75 LEU H H 75 7.044 7.044 7.416 -0.372 18412 363 1 . 1 1 76 76 LEU N N 76 118.917 118.917 120.574 -1.657 18412 364 1 . 1 1 76 76 LEU HA H 76 4.118 4.118 3.996 0.122 18412 365 1 . 1 1 76 76 LEU CA C 76 58.853 58.853 58.813 0.040 18412 366 1 . 1 1 76 76 LEU CB C 76 42.606 42.606 41.472 1.134 18412 367 1 . 1 1 76 76 LEU H H 76 7.850 7.850 7.730 0.120 18412 368 1 . 1 1 77 77 THR N N 77 114.574 114.574 115.638 -1.064 18412 369 1 . 1 1 77 77 THR HA H 77 3.830 3.830 3.899 -0.069 18412 370 1 . 1 1 77 77 THR CA C 77 66.882 66.882 67.015 -0.133 18412 371 1 . 1 1 77 77 THR CB C 77 68.991 68.991 68.422 0.569 18412 372 1 . 1 1 77 77 THR H H 77 8.287 8.287 8.218 0.069 18412 373 1 . 1 1 78 78 MET N N 78 118.873 118.873 118.794 0.079 18412 374 1 . 1 1 78 78 MET HA H 78 4.155 4.155 4.190 -0.035 18412 375 1 . 1 1 78 78 MET CA C 78 59.838 59.838 58.189 1.649 18412 376 1 . 1 1 78 78 MET CB C 78 32.697 32.697 31.412 1.285 18412 377 1 . 1 1 78 78 MET H H 78 7.032 7.032 7.636 -0.604 18412 378 1 . 1 1 79 79 VAL N N 79 120.046 120.046 119.830 0.216 18412 379 1 . 1 1 79 79 VAL HA H 79 3.721 3.721 3.787 -0.066 18412 380 1 . 1 1 79 79 VAL CA C 79 66.981 66.981 66.447 0.534 18412 381 1 . 1 1 79 79 VAL CB C 79 32.032 32.032 31.295 0.737 18412 382 1 . 1 1 79 79 VAL H H 79 7.633 7.633 7.570 0.063 18412 383 1 . 1 1 80 80 VAL N N 80 121.510 121.510 121.150 0.360 18412 384 1 . 1 1 80 80 VAL HA H 80 3.541 3.541 3.670 -0.129 18412 385 1 . 1 1 80 80 VAL CA C 80 67.105 67.105 67.151 -0.046 18412 386 1 . 1 1 80 80 VAL CB C 80 31.847 31.847 31.171 0.675 18412 387 1 . 1 1 80 80 VAL H H 80 8.601 8.601 8.662 -0.061 18412 388 1 . 1 1 81 81 ASP N N 81 121.760 121.760 119.984 1.777 18412 389 1 . 1 1 81 81 ASP HA H 81 4.353 4.353 4.333 0.020 18412 390 1 . 1 1 81 81 ASP CA C 81 57.676 57.676 57.413 0.263 18412 391 1 . 1 1 81 81 ASP CB C 81 40.571 40.571 40.761 -0.190 18412 392 1 . 1 1 81 81 ASP H H 81 8.677 8.677 8.570 0.107 18412 393 1 . 1 1 82 82 TYR N N 82 121.025 121.025 121.256 -0.231 18412 394 1 . 1 1 82 82 TYR HA H 82 4.187 4.187 4.079 0.108 18412 395 1 . 1 1 82 82 TYR CA C 82 61.503 61.503 61.474 0.029 18412 396 1 . 1 1 82 82 TYR CB C 82 38.623 38.623 38.497 0.126 18412 397 1 . 1 1 82 82 TYR H H 82 7.608 7.608 8.076 -0.468 18412 398 1 . 1 1 83 83 ARG N N 83 119.379 119.379 118.636 0.743 18412 399 1 . 1 1 83 83 ARG HA H 83 3.671 3.671 3.723 -0.052 18412 400 1 . 1 1 83 83 ARG CA C 83 59.877 59.877 59.363 0.514 18412 401 1 . 1 1 83 83 ARG CB C 83 30.378 30.378 29.656 0.722 18412 402 1 . 1 1 83 83 ARG H H 83 8.596 8.596 8.297 0.299 18412 403 1 . 1 1 84 84 THR N N 84 113.330 113.330 116.129 -2.799 18412 404 1 . 1 1 84 84 THR HA H 84 3.946 3.946 4.037 -0.091 18412 405 1 . 1 1 84 84 THR CA C 84 65.316 65.316 66.824 -1.508 18412 406 1 . 1 1 84 84 THR CB C 84 69.273 69.273 68.621 0.652 18412 407 1 . 1 1 84 84 THR H H 84 8.305 8.305 7.914 0.391 18412 408 1 . 1 1 85 85 ARG N N 85 121.457 121.457 122.147 -0.690 18412 409 1 . 1 1 85 85 ARG HA H 85 4.057 4.057 4.051 0.006 18412 410 1 . 1 1 85 85 ARG CA C 85 58.905 58.905 59.247 -0.342 18412 411 1 . 1 1 85 85 ARG CB C 85 30.805 30.805 29.220 1.585 18412 412 1 . 1 1 85 85 ARG H H 85 7.949 7.949 8.409 -0.460 18412 413 1 . 1 1 86 86 VAL N N 86 117.232 117.232 119.978 -2.746 18412 414 1 . 1 1 86 86 VAL HA H 86 3.797 3.797 3.755 0.042 18412 415 1 . 1 1 86 86 VAL CA C 86 64.264 64.264 65.716 -1.452 18412 416 1 . 1 1 86 86 VAL CB C 86 31.707 31.707 31.002 0.705 18412 417 1 . 1 1 86 86 VAL H H 86 7.962 7.962 7.945 0.017 18412 418 1 . 1 1 87 87 LEU N N 87 120.870 120.870 121.867 -0.997 18412 419 1 . 1 1 87 87 LEU HA H 87 4.158 4.158 3.989 0.169 18412 420 1 . 1 1 87 87 LEU CA C 87 56.056 56.056 58.077 -2.021 18412 421 1 . 1 1 87 87 LEU CB C 87 41.733 41.733 41.385 0.348 18412 422 1 . 1 1 87 87 LEU H H 87 7.463 7.463 7.344 0.119 18412 423 1 . 1 1 88 88 LYS N N 88 118.925 118.925 118.683 0.242 18412 424 1 . 1 1 88 88 LYS HA H 88 4.168 4.168 4.132 0.036 18412 425 1 . 1 1 88 88 LYS CA C 88 56.689 56.689 58.237 -1.548 18412 426 1 . 1 1 88 88 LYS CB C 88 32.122 32.122 32.773 -0.651 18412 427 1 . 1 1 88 88 LYS H H 88 7.602 7.602 8.032 -0.430 18412 428 1 . 1 1 89 89 ILE N N 89 120.845 120.845 119.258 1.587 18412 429 1 . 1 1 89 89 ILE HA H 89 4.049 4.049 3.887 0.162 18412 430 1 . 1 1 89 89 ILE CA C 89 61.867 61.867 62.928 -1.061 18412 431 1 . 1 1 89 89 ILE CB C 89 38.660 38.660 38.580 0.080 18412 432 1 . 1 1 89 89 ILE H H 89 7.882 7.882 7.887 -0.005 18412 stop_ save_