data_25502 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25502 _Entry.PDB_ID 2MZU 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 25502 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.370 -0.194 25502 2 1 1 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.165 -0.673 25502 3 1 1 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.492 -0.366 25502 4 1 1 . 1 1 3 3 ASN N N 3 126.515 126.515 124.572 1.943 25502 5 1 1 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.193 -0.056 25502 6 1 1 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.031 -0.023 25502 7 1 1 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.656 -1.857 25502 8 1 1 . 1 1 3 3 ASN H H 3 8.600 8.600 8.539 0.061 25502 9 1 1 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.492 0.261 25502 10 1 1 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.823 -0.154 25502 11 1 1 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.623 0.515 25502 12 1 1 . 1 1 5 5 THR N N 5 114.826 114.826 116.327 -1.501 25502 13 1 1 . 1 1 5 5 THR HA H 5 5.716 5.716 4.985 0.731 25502 14 1 1 . 1 1 5 5 THR CA C 5 60.698 60.698 61.476 -0.778 25502 15 1 1 . 1 1 5 5 THR CB C 5 41.142 41.142 71.916 -30.774 25502 16 1 1 . 1 1 5 5 THR H H 5 8.771 8.771 8.195 0.576 25502 17 1 1 . 1 1 6 6 VAL N N 6 120.113 120.113 122.270 -2.157 25502 18 1 1 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.412 -0.073 25502 19 1 1 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.675 -0.878 25502 20 1 1 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.513 0.622 25502 21 1 1 . 1 1 6 6 VAL H H 6 8.741 8.741 8.229 0.512 25502 22 1 1 . 1 1 7 7 PHE N N 7 118.968 118.968 121.273 -2.305 25502 23 1 1 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.141 0.754 25502 24 1 1 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.127 0.561 25502 25 1 1 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.855 1.188 25502 26 1 1 . 1 1 7 7 PHE H H 7 8.954 8.954 8.325 0.629 25502 27 1 1 . 1 1 8 8 PHE N N 8 116.774 116.774 120.221 -3.447 25502 28 1 1 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.823 0.494 25502 29 1 1 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.405 -3.982 25502 30 1 1 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.970 0.900 25502 31 1 1 . 1 1 8 8 PHE H H 8 9.540 9.540 8.524 1.016 25502 32 1 1 . 1 1 9 9 ASP N N 9 123.959 123.959 125.357 -1.398 25502 33 1 1 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.822 0.711 25502 34 1 1 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.270 -0.505 25502 35 1 1 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.252 0.061 25502 36 1 1 . 1 1 9 9 ASP H H 9 9.266 9.266 9.142 0.124 25502 37 1 1 . 1 1 10 10 ILE N N 10 124.122 124.122 125.898 -1.776 25502 38 1 1 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.370 0.802 25502 39 1 1 . 1 1 10 10 ILE CA C 10 58.159 58.159 59.745 -1.586 25502 40 1 1 . 1 1 10 10 ILE CB C 10 37.703 37.703 36.828 0.875 25502 41 1 1 . 1 1 10 10 ILE H H 10 9.030 9.030 7.911 1.119 25502 42 1 1 . 1 1 11 11 ALA N N 11 132.244 132.244 131.216 1.028 25502 43 1 1 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.974 0.191 25502 44 1 1 . 1 1 11 11 ALA CA C 11 50.664 50.664 49.782 0.882 25502 45 1 1 . 1 1 11 11 ALA CB C 11 52.561 52.561 22.693 29.868 25502 46 1 1 . 1 1 11 11 ALA H H 11 9.603 9.603 9.235 0.368 25502 47 1 1 . 1 1 12 12 VAL N N 12 118.199 118.199 119.787 -1.588 25502 48 1 1 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.556 -0.045 25502 49 1 1 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.429 -1.004 25502 50 1 1 . 1 1 12 12 VAL CB C 12 33.181 33.181 33.300 -0.119 25502 51 1 1 . 1 1 12 12 VAL H H 12 8.943 8.943 8.654 0.289 25502 52 1 1 . 1 1 13 13 ASP N N 13 130.748 130.748 127.935 2.813 25502 53 1 1 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.289 0.031 25502 54 1 1 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.645 0.181 25502 55 1 1 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.192 -0.357 25502 56 1 1 . 1 1 13 13 ASP H H 13 9.846 9.846 9.126 0.720 25502 57 1 1 . 1 1 14 14 GLY N N 14 101.493 101.493 103.868 -2.375 25502 58 1 1 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.947 0.135 25502 59 1 1 . 1 1 14 14 GLY H H 14 8.558 8.558 8.617 -0.059 25502 60 1 1 . 1 1 15 15 GLU N N 15 123.014 123.014 123.773 -0.759 25502 61 1 1 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.685 0.151 25502 62 1 1 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.832 -0.079 25502 63 1 1 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.218 0.018 25502 64 1 1 . 1 1 15 15 GLU H H 15 8.046 8.046 7.655 0.391 25502 65 1 1 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.503 -0.327 25502 66 1 1 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.036 1.510 25502 67 1 1 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.340 29.770 25502 68 1 1 . 1 1 17 17 LEU N N 17 125.784 125.784 124.080 1.704 25502 69 1 1 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.107 0.580 25502 70 1 1 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.705 -1.357 25502 71 1 1 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.515 1.642 25502 72 1 1 . 1 1 17 17 LEU H H 17 9.189 9.189 8.864 0.325 25502 73 1 1 . 1 1 18 18 GLY N N 18 102.200 102.200 103.576 -1.376 25502 74 1 1 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.543 0.426 25502 75 1 1 . 1 1 18 18 GLY H H 18 7.256 7.256 7.418 -0.162 25502 76 1 1 . 1 1 19 19 ARG N N 19 120.995 120.995 123.065 -2.070 25502 77 1 1 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.703 0.919 25502 78 1 1 . 1 1 19 19 ARG CA C 19 55.015 55.015 54.888 0.127 25502 79 1 1 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.806 0.534 25502 80 1 1 . 1 1 19 19 ARG H H 19 8.320 8.320 8.342 -0.022 25502 81 1 1 . 1 1 20 20 VAL N N 20 126.616 126.616 124.453 2.163 25502 82 1 1 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.773 -0.170 25502 83 1 1 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.740 -0.799 25502 84 1 1 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.276 2.607 25502 85 1 1 . 1 1 20 20 VAL H H 20 9.364 9.364 8.607 0.757 25502 86 1 1 . 1 1 21 21 SER N N 21 120.061 120.061 120.908 -0.847 25502 87 1 1 . 1 1 21 21 SER HA H 21 5.515 5.515 5.085 0.430 25502 88 1 1 . 1 1 21 21 SER CA C 21 55.317 55.317 55.608 -0.291 25502 89 1 1 . 1 1 21 21 SER CB C 21 36.773 36.773 65.703 -28.930 25502 90 1 1 . 1 1 21 21 SER H H 21 8.768 8.768 7.818 0.950 25502 91 1 1 . 1 1 22 22 PHE N N 22 118.878 118.878 117.281 1.597 25502 92 1 1 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.141 0.096 25502 93 1 1 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.846 -1.158 25502 94 1 1 . 1 1 22 22 PHE CB C 22 42.574 42.574 42.942 -0.368 25502 95 1 1 . 1 1 22 22 PHE H H 22 9.508 9.508 8.954 0.554 25502 96 1 1 . 1 1 23 23 GLU N N 23 122.926 122.926 123.607 -0.681 25502 97 1 1 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.529 0.220 25502 98 1 1 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.134 -0.185 25502 99 1 1 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.224 1.405 25502 100 1 1 . 1 1 23 23 GLU H H 23 8.740 8.740 9.025 -0.285 25502 101 1 1 . 1 1 24 24 LEU N N 24 122.262 122.262 128.515 -6.253 25502 102 1 1 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.596 0.101 25502 103 1 1 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.386 -2.834 25502 104 1 1 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.427 0.693 25502 105 1 1 . 1 1 24 24 LEU H H 24 8.185 8.185 8.045 0.140 25502 106 1 1 . 1 1 25 25 PHE N N 25 124.423 124.423 124.362 0.061 25502 107 1 1 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.621 0.487 25502 108 1 1 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.769 -3.479 25502 109 1 1 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.538 -0.577 25502 110 1 1 . 1 1 25 25 PHE H H 25 8.815 8.815 9.329 -0.514 25502 111 1 1 . 1 1 26 26 ALA N N 26 128.683 128.683 125.225 3.458 25502 112 1 1 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.204 -0.433 25502 113 1 1 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.404 -0.118 25502 114 1 1 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.433 0.192 25502 115 1 1 . 1 1 26 26 ALA H H 26 8.433 8.433 8.335 0.098 25502 116 1 1 . 1 1 27 27 ASP N N 27 114.069 114.069 117.387 -3.318 25502 117 1 1 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.513 -0.270 25502 118 1 1 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.468 -1.140 25502 119 1 1 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.152 -2.297 25502 120 1 1 . 1 1 27 27 ASP H H 27 9.052 9.052 8.527 0.525 25502 121 1 1 . 1 1 28 28 LYS N N 28 117.763 117.763 117.014 0.749 25502 122 1 1 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.488 0.083 25502 123 1 1 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.835 -0.603 25502 124 1 1 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.769 1.153 25502 125 1 1 . 1 1 28 28 LYS H H 28 7.545 7.545 7.937 -0.392 25502 126 1 1 . 1 1 29 29 VAL N N 29 114.212 114.212 114.280 -0.068 25502 127 1 1 . 1 1 29 29 VAL HA H 29 4.451 4.451 5.104 -0.653 25502 128 1 1 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.639 -0.550 25502 129 1 1 . 1 1 29 29 VAL CB C 29 31.745 31.745 30.888 0.857 25502 130 1 1 . 1 1 29 29 VAL H H 29 8.368 8.368 8.228 0.140 25502 131 1 1 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.340 0.055 25502 132 1 1 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.697 0.386 25502 133 1 1 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.107 -0.803 25502 134 1 1 . 1 1 31 31 LYS N N 31 123.500 123.500 118.739 4.761 25502 135 1 1 . 1 1 31 31 LYS HA H 31 4.007 4.007 3.978 0.029 25502 136 1 1 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.695 1.661 25502 137 1 1 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.701 0.578 25502 138 1 1 . 1 1 31 31 LYS H H 31 10.663 10.663 7.713 2.950 25502 139 1 1 . 1 1 32 32 THR N N 32 123.707 123.707 114.264 9.443 25502 140 1 1 . 1 1 32 32 THR HA H 32 3.988 3.988 3.524 0.464 25502 141 1 1 . 1 1 32 32 THR CA C 32 37.678 37.678 65.329 -27.651 25502 142 1 1 . 1 1 32 32 THR CB C 32 38.883 38.883 68.596 -29.713 25502 143 1 1 . 1 1 32 32 THR H H 32 10.283 10.283 7.346 2.937 25502 144 1 1 . 1 1 33 33 ALA N N 33 125.366 125.366 124.650 0.716 25502 145 1 1 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.325 -0.288 25502 146 1 1 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.108 0.759 25502 147 1 1 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.377 -0.142 25502 148 1 1 . 1 1 33 33 ALA H H 33 9.281 9.281 8.329 0.952 25502 149 1 1 . 1 1 34 34 GLU N N 34 117.040 117.040 118.066 -1.026 25502 150 1 1 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.951 0.558 25502 151 1 1 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.844 -1.958 25502 152 1 1 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.488 28.416 25502 153 1 1 . 1 1 34 34 GLU H H 34 8.027 8.027 8.474 -0.447 25502 154 1 1 . 1 1 35 35 ASN N N 35 115.398 115.398 118.450 -3.052 25502 155 1 1 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.626 -0.572 25502 156 1 1 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.381 0.250 25502 157 1 1 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.371 1.094 25502 158 1 1 . 1 1 35 35 ASN H H 35 7.139 7.139 7.331 -0.192 25502 159 1 1 . 1 1 36 36 PHE N N 36 117.607 117.607 120.840 -3.233 25502 160 1 1 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.360 -0.251 25502 161 1 1 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.642 0.749 25502 162 1 1 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.138 0.875 25502 163 1 1 . 1 1 36 36 PHE H H 36 7.012 7.012 7.712 -0.700 25502 164 1 1 . 1 1 37 37 ARG N N 37 120.804 120.804 119.930 0.874 25502 165 1 1 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.071 -0.439 25502 166 1 1 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.272 1.109 25502 167 1 1 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.363 -0.502 25502 168 1 1 . 1 1 37 37 ARG H H 37 8.935 8.935 8.744 0.191 25502 169 1 1 . 1 1 38 38 ALA N N 38 118.869 118.869 123.548 -4.679 25502 170 1 1 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.068 0.001 25502 171 1 1 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.084 -0.744 25502 172 1 1 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.372 -0.137 25502 173 1 1 . 1 1 38 38 ALA H H 38 8.687 8.687 8.365 0.322 25502 174 1 1 . 1 1 39 39 LEU N N 39 120.488 120.488 118.030 2.458 25502 175 1 1 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.884 -0.140 25502 176 1 1 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.632 -0.517 25502 177 1 1 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.056 -1.030 25502 178 1 1 . 1 1 39 39 LEU H H 39 8.173 8.173 8.025 0.148 25502 179 1 1 . 1 1 40 40 SER N N 40 118.952 118.952 114.174 4.778 25502 180 1 1 . 1 1 40 40 SER HA H 40 4.444 4.444 3.871 0.573 25502 181 1 1 . 1 1 40 40 SER CA C 40 62.334 62.334 61.547 0.787 25502 182 1 1 . 1 1 40 40 SER CB C 40 62.884 62.884 63.018 -0.134 25502 183 1 1 . 1 1 40 40 SER H H 40 7.900 7.900 7.791 0.109 25502 184 1 1 . 1 1 41 41 THR N N 41 108.208 108.208 110.442 -2.234 25502 185 1 1 . 1 1 41 41 THR HA H 41 4.288 4.288 4.088 0.200 25502 186 1 1 . 1 1 41 41 THR CA C 41 62.810 62.810 63.681 -0.871 25502 187 1 1 . 1 1 41 41 THR CB C 41 69.221 69.221 69.260 -0.039 25502 188 1 1 . 1 1 41 41 THR H H 41 7.974 7.974 8.208 -0.234 25502 189 1 1 . 1 1 42 42 GLY N N 42 108.122 108.122 109.540 -1.418 25502 190 1 1 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.658 0.099 25502 191 1 1 . 1 1 42 42 GLY H H 42 7.582 7.582 7.885 -0.303 25502 192 1 1 . 1 1 43 43 GLU N N 43 118.454 118.454 122.232 -3.778 25502 193 1 1 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.982 0.138 25502 194 1 1 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.324 0.033 25502 195 1 1 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.102 0.840 25502 196 1 1 . 1 1 43 43 GLU H H 43 8.009 8.009 7.789 0.220 25502 197 1 1 . 1 1 44 44 LYS N N 44 118.055 118.055 119.271 -1.216 25502 198 1 1 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.875 0.406 25502 199 1 1 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.920 -3.800 25502 200 1 1 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.342 -2.046 25502 201 1 1 . 1 1 44 44 LYS H H 44 9.102 9.102 7.893 1.209 25502 202 1 1 . 1 1 45 45 GLY N N 45 105.305 105.305 106.037 -0.732 25502 203 1 1 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.311 -0.780 25502 204 1 1 . 1 1 45 45 GLY H H 45 7.939 7.939 8.097 -0.158 25502 205 1 1 . 1 1 46 46 PHE N N 46 113.461 113.461 117.446 -3.985 25502 206 1 1 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.752 -0.128 25502 207 1 1 . 1 1 46 46 PHE CA C 46 53.881 53.881 57.074 -3.192 25502 208 1 1 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.069 0.399 25502 209 1 1 . 1 1 46 46 PHE H H 46 6.413 6.413 7.347 -0.934 25502 210 1 1 . 1 1 47 47 GLY N N 47 104.416 104.416 110.576 -6.160 25502 211 1 1 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.585 -0.127 25502 212 1 1 . 1 1 47 47 GLY H H 47 7.686 7.686 7.367 0.319 25502 213 1 1 . 1 1 48 48 TYR N N 48 113.530 113.530 120.198 -6.668 25502 214 1 1 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.430 -0.222 25502 215 1 1 . 1 1 48 48 TYR CA C 48 57.039 57.039 58.468 -1.429 25502 216 1 1 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.052 -0.633 25502 217 1 1 . 1 1 48 48 TYR H H 48 6.887 6.887 8.497 -1.610 25502 218 1 1 . 1 1 49 49 LYS N N 49 124.631 124.631 127.889 -3.258 25502 219 1 1 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.375 -0.780 25502 220 1 1 . 1 1 49 49 LYS CA C 49 60.882 60.882 56.167 4.715 25502 221 1 1 . 1 1 49 49 LYS CB C 49 31.168 31.168 31.215 -0.047 25502 222 1 1 . 1 1 49 49 LYS H H 49 8.474 8.474 8.529 -0.055 25502 223 1 1 . 1 1 50 50 GLY N N 50 117.591 117.591 110.188 7.403 25502 224 1 1 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.669 -0.628 25502 225 1 1 . 1 1 50 50 GLY H H 50 9.482 9.482 8.075 1.407 25502 226 1 1 . 1 1 51 51 SER N N 51 116.156 116.156 115.064 1.092 25502 227 1 1 . 1 1 51 51 SER HA H 51 4.658 4.658 4.217 0.441 25502 228 1 1 . 1 1 51 51 SER CA C 51 58.682 58.682 60.309 -1.627 25502 229 1 1 . 1 1 51 51 SER CB C 51 64.607 64.607 63.246 1.361 25502 230 1 1 . 1 1 51 51 SER H H 51 8.397 8.397 8.578 -0.181 25502 231 1 1 . 1 1 52 52 CYS N N 52 114.800 114.800 120.019 -5.219 25502 232 1 1 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.849 1.046 25502 233 1 1 . 1 1 52 52 CYS CA C 52 55.965 55.965 58.483 -2.518 25502 234 1 1 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.976 0.743 25502 235 1 1 . 1 1 52 52 CYS H H 52 9.858 9.858 8.519 1.339 25502 236 1 1 . 1 1 53 53 PHE N N 53 122.839 122.839 122.118 0.721 25502 237 1 1 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.927 -0.074 25502 238 1 1 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.002 1.081 25502 239 1 1 . 1 1 53 53 PHE CB C 53 38.728 38.728 41.568 -2.840 25502 240 1 1 . 1 1 53 53 PHE H H 53 8.702 8.702 8.622 0.080 25502 241 1 1 . 1 1 54 54 HIS N N 54 119.944 119.944 122.596 -2.652 25502 242 1 1 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.822 -0.116 25502 243 1 1 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.845 1.140 25502 244 1 1 . 1 1 54 54 HIS CB C 54 31.344 31.344 32.126 -0.782 25502 245 1 1 . 1 1 54 54 HIS H H 54 7.623 7.623 8.866 -1.243 25502 246 1 1 . 1 1 55 55 ARG N N 55 122.758 122.758 120.977 1.781 25502 247 1 1 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.573 0.526 25502 248 1 1 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.318 -1.615 25502 249 1 1 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.608 3.163 25502 250 1 1 . 1 1 55 55 ARG H H 55 7.031 7.031 8.227 -1.196 25502 251 1 1 . 1 1 56 56 ILE N N 56 126.170 126.170 123.879 2.291 25502 252 1 1 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.390 0.199 25502 253 1 1 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.960 0.491 25502 254 1 1 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.029 0.603 25502 255 1 1 . 1 1 56 56 ILE H H 56 9.166 9.166 8.640 0.526 25502 256 1 1 . 1 1 57 57 ILE N N 57 127.731 127.731 126.879 0.852 25502 257 1 1 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.918 0.279 25502 258 1 1 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.576 0.038 25502 259 1 1 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.410 0.605 25502 260 1 1 . 1 1 57 57 ILE H H 57 8.718 8.718 8.682 0.036 25502 261 1 1 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.446 -0.122 25502 262 1 1 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.212 -0.263 25502 263 1 1 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.306 1.605 25502 264 1 1 . 1 1 59 59 GLY N N 59 113.877 113.877 110.273 3.604 25502 265 1 1 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.340 -0.162 25502 266 1 1 . 1 1 59 59 GLY H H 59 9.679 9.679 8.056 1.623 25502 267 1 1 . 1 1 60 60 PHE N N 60 118.955 118.955 120.355 -1.400 25502 268 1 1 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.858 0.235 25502 269 1 1 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.606 -1.861 25502 270 1 1 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.194 -3.501 25502 271 1 1 . 1 1 60 60 PHE H H 60 8.095 8.095 8.007 0.088 25502 272 1 1 . 1 1 61 61 MET N N 61 110.963 110.963 109.971 0.992 25502 273 1 1 . 1 1 61 61 MET HA H 61 5.311 5.311 4.963 0.348 25502 274 1 1 . 1 1 61 61 MET CA C 61 54.802 54.802 55.367 -0.565 25502 275 1 1 . 1 1 61 61 MET CB C 61 34.892 34.892 33.718 1.174 25502 276 1 1 . 1 1 61 61 MET H H 61 8.088 8.088 7.855 0.233 25502 277 1 1 . 1 1 62 62 CYS N N 62 114.627 114.627 118.165 -3.538 25502 278 1 1 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.937 -0.064 25502 279 1 1 . 1 1 62 62 CYS CA C 62 57.335 57.335 56.798 0.537 25502 280 1 1 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.086 29.974 25502 281 1 1 . 1 1 62 62 CYS H H 62 8.474 8.474 8.362 0.112 25502 282 1 1 . 1 1 63 63 GLN N N 63 126.463 126.463 119.456 7.007 25502 283 1 1 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.738 0.638 25502 284 1 1 . 1 1 63 63 GLN CA C 63 54.524 54.524 54.616 -0.092 25502 285 1 1 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.587 -2.187 25502 286 1 1 . 1 1 63 63 GLN H H 63 9.651 9.651 8.295 1.356 25502 287 1 1 . 1 1 64 64 GLY N N 64 110.531 110.531 108.221 2.310 25502 288 1 1 . 1 1 64 64 GLY CA C 64 44.400 44.400 43.325 1.075 25502 289 1 1 . 1 1 64 64 GLY H H 64 7.352 7.352 7.590 -0.238 25502 290 1 1 . 1 1 65 65 GLY N N 65 105.572 105.572 106.670 -1.098 25502 291 1 1 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.842 1.583 25502 292 1 1 . 1 1 65 65 GLY H H 65 9.292 9.292 7.239 2.053 25502 293 1 1 . 1 1 66 66 ASP N N 66 123.656 123.656 121.661 1.995 25502 294 1 1 . 1 1 66 66 ASP HA H 66 4.290 4.290 5.104 -0.814 25502 295 1 1 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.103 -1.598 25502 296 1 1 . 1 1 66 66 ASP CB C 66 38.702 38.702 44.701 -5.999 25502 297 1 1 . 1 1 66 66 ASP H H 66 9.910 9.910 8.524 1.386 25502 298 1 1 . 1 1 67 67 PHE N N 67 115.914 115.914 118.199 -2.285 25502 299 1 1 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.925 -0.328 25502 300 1 1 . 1 1 67 67 PHE CA C 67 55.784 55.784 57.783 -1.999 25502 301 1 1 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.842 -0.485 25502 302 1 1 . 1 1 67 67 PHE H H 67 6.624 6.624 8.166 -1.542 25502 303 1 1 . 1 1 68 68 THR N N 68 108.853 108.853 116.260 -7.407 25502 304 1 1 . 1 1 68 68 THR HA H 68 4.638 4.638 4.562 0.076 25502 305 1 1 . 1 1 68 68 THR CA C 68 61.621 61.621 62.736 -1.115 25502 306 1 1 . 1 1 68 68 THR CB C 68 68.789 68.789 70.268 -1.479 25502 307 1 1 . 1 1 68 68 THR H H 68 7.320 7.320 8.509 -1.189 25502 308 1 1 . 1 1 69 69 ARG N N 69 121.780 121.780 119.945 1.835 25502 309 1 1 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.507 -0.145 25502 310 1 1 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.300 -1.272 25502 311 1 1 . 1 1 69 69 ARG CB C 69 61.533 61.533 31.166 30.367 25502 312 1 1 . 1 1 69 69 ARG H H 69 8.655 8.655 8.154 0.501 25502 313 1 1 . 1 1 70 70 HIS N N 70 112.009 112.009 117.860 -5.851 25502 314 1 1 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.598 -0.200 25502 315 1 1 . 1 1 70 70 HIS CA C 70 57.135 57.135 57.609 -0.474 25502 316 1 1 . 1 1 70 70 HIS CB C 70 58.434 58.434 30.688 27.746 25502 317 1 1 . 1 1 70 70 HIS H H 70 6.838 6.838 8.458 -1.620 25502 318 1 1 . 1 1 71 71 ASN N N 71 112.340 112.340 117.442 -5.102 25502 319 1 1 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.805 -0.210 25502 320 1 1 . 1 1 71 71 ASN CA C 71 52.160 52.160 54.215 -2.055 25502 321 1 1 . 1 1 71 71 ASN CB C 71 38.707 38.707 40.965 -2.259 25502 322 1 1 . 1 1 71 71 ASN H H 71 7.519 7.519 8.479 -0.960 25502 323 1 1 . 1 1 72 72 GLY N N 72 110.239 110.239 108.453 1.786 25502 324 1 1 . 1 1 72 72 GLY CA C 72 44.573 44.573 44.544 0.029 25502 325 1 1 . 1 1 72 72 GLY H H 72 9.619 9.619 8.060 1.559 25502 326 1 1 . 1 1 73 73 THR N N 73 111.802 111.802 110.927 0.875 25502 327 1 1 . 1 1 73 73 THR HA H 73 4.487 4.487 4.044 0.443 25502 328 1 1 . 1 1 73 73 THR CA C 73 62.070 62.070 62.157 -0.087 25502 329 1 1 . 1 1 73 73 THR CB C 73 40.762 40.762 67.913 -27.151 25502 330 1 1 . 1 1 73 73 THR H H 73 7.930 7.930 8.305 -0.375 25502 331 1 1 . 1 1 74 74 GLY N N 74 113.668 113.668 108.217 5.451 25502 332 1 1 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.840 0.068 25502 333 1 1 . 1 1 74 74 GLY H H 74 8.669 8.669 7.901 0.768 25502 334 1 1 . 1 1 75 75 GLY N N 75 108.813 108.813 106.176 2.637 25502 335 1 1 . 1 1 75 75 GLY CA C 75 43.037 43.037 45.276 -2.239 25502 336 1 1 . 1 1 75 75 GLY H H 75 8.066 8.066 7.931 0.135 25502 337 1 1 . 1 1 76 76 LYS N N 76 115.526 115.526 117.247 -1.721 25502 338 1 1 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.149 0.436 25502 339 1 1 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.805 -0.098 25502 340 1 1 . 1 1 76 76 LYS CB C 76 34.515 34.515 33.585 0.930 25502 341 1 1 . 1 1 76 76 LYS H H 76 6.981 6.981 7.739 -0.758 25502 342 1 1 . 1 1 77 77 SER N N 77 114.105 114.105 117.876 -3.771 25502 343 1 1 . 1 1 77 77 SER HA H 77 5.185 5.185 4.662 0.523 25502 344 1 1 . 1 1 77 77 SER CA C 77 56.816 56.816 57.695 -0.879 25502 345 1 1 . 1 1 77 77 SER CB C 77 38.963 38.963 61.907 -22.944 25502 346 1 1 . 1 1 78 78 ILE N N 78 110.963 110.963 114.555 -3.592 25502 347 1 1 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.716 0.454 25502 348 1 1 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.718 0.799 25502 349 1 1 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.584 0.723 25502 350 1 1 . 1 1 78 78 ILE H H 78 8.557 8.557 7.405 1.152 25502 351 1 1 . 1 1 79 79 TYR N N 79 120.472 120.472 118.830 1.642 25502 352 1 1 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.557 0.110 25502 353 1 1 . 1 1 79 79 TYR CA C 79 56.147 56.147 57.416 -1.269 25502 354 1 1 . 1 1 79 79 TYR CB C 79 38.725 38.725 38.981 -0.256 25502 355 1 1 . 1 1 79 79 TYR H H 79 8.007 8.007 7.641 0.366 25502 356 1 1 . 1 1 80 80 GLY N N 80 106.402 106.402 109.811 -3.409 25502 357 1 1 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.011 -1.263 25502 358 1 1 . 1 1 80 80 GLY H H 80 7.115 7.115 7.830 -0.715 25502 359 1 1 . 1 1 81 81 GLU N N 81 122.838 122.838 121.226 1.612 25502 360 1 1 . 1 1 81 81 GLU HA H 81 3.946 3.946 3.918 0.028 25502 361 1 1 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.792 1.346 25502 362 1 1 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.731 0.377 25502 363 1 1 . 1 1 81 81 GLU H H 81 8.878 8.878 8.652 0.226 25502 364 1 1 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.851 1.674 25502 365 1 1 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.209 -1.433 25502 366 1 1 . 1 1 82 82 LYS CB C 82 36.311 36.311 32.922 3.389 25502 367 1 1 . 1 1 82 82 LYS H H 82 7.799 7.799 7.346 0.453 25502 368 1 1 . 1 1 83 83 PHE N N 83 116.432 116.432 116.780 -0.348 25502 369 1 1 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.656 0.289 25502 370 1 1 . 1 1 83 83 PHE CA C 83 55.737 55.737 56.908 -1.171 25502 371 1 1 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.346 0.948 25502 372 1 1 . 1 1 83 83 PHE H H 83 9.147 9.147 7.778 1.369 25502 373 1 1 . 1 1 84 84 GLU N N 84 119.352 119.352 118.428 0.924 25502 374 1 1 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.322 -0.520 25502 375 1 1 . 1 1 84 84 GLU CA C 84 56.197 56.197 54.846 1.351 25502 376 1 1 . 1 1 84 84 GLU CB C 84 29.105 29.105 31.747 -2.642 25502 377 1 1 . 1 1 84 84 GLU H H 84 9.252 9.252 8.155 1.097 25502 378 1 1 . 1 1 85 85 ASP N N 85 118.583 118.583 121.375 -2.792 25502 379 1 1 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.391 -0.165 25502 380 1 1 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.488 -1.514 25502 381 1 1 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.404 -0.619 25502 382 1 1 . 1 1 85 85 ASP H H 85 8.593 8.593 8.678 -0.085 25502 383 1 1 . 1 1 86 86 GLU N N 86 131.488 131.488 126.284 5.204 25502 384 1 1 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.082 -0.287 25502 385 1 1 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.667 2.606 25502 386 1 1 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.447 1.192 25502 387 1 1 . 1 1 86 86 GLU H H 86 9.461 9.461 9.024 0.437 25502 388 1 1 . 1 1 87 87 ASN N N 87 106.549 106.549 111.049 -4.500 25502 389 1 1 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.891 0.239 25502 390 1 1 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.120 0.469 25502 391 1 1 . 1 1 87 87 ASN CB C 87 39.349 39.349 38.510 0.839 25502 392 1 1 . 1 1 87 87 ASN H H 87 7.044 7.044 7.407 -0.363 25502 393 1 1 . 1 1 88 88 PHE N N 88 112.731 112.731 114.308 -1.577 25502 394 1 1 . 1 1 88 88 PHE HA H 88 5.927 5.927 5.008 0.919 25502 395 1 1 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.126 -0.438 25502 396 1 1 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.617 0.203 25502 397 1 1 . 1 1 88 88 PHE H H 88 8.319 8.319 8.059 0.260 25502 398 1 1 . 1 1 89 89 ILE N N 89 119.556 119.556 120.567 -1.011 25502 399 1 1 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.810 -0.158 25502 400 1 1 . 1 1 89 89 ILE CA C 89 64.887 64.887 64.197 0.690 25502 401 1 1 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.625 1.314 25502 402 1 1 . 1 1 89 89 ILE H H 89 8.302 8.302 7.723 0.579 25502 403 1 1 . 1 1 90 90 LEU N N 90 116.951 116.951 120.313 -3.362 25502 404 1 1 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.332 0.124 25502 405 1 1 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.498 0.687 25502 406 1 1 . 1 1 90 90 LEU CB C 90 41.910 41.910 41.157 0.753 25502 407 1 1 . 1 1 90 90 LEU H H 90 7.746 7.746 7.814 -0.068 25502 408 1 1 . 1 1 91 91 LYS N N 91 118.722 118.722 122.370 -3.648 25502 409 1 1 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.157 0.471 25502 410 1 1 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.150 -0.835 25502 411 1 1 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.626 0.924 25502 412 1 1 . 1 1 91 91 LYS H H 91 8.057 8.057 8.181 -0.124 25502 413 1 1 . 1 1 92 92 HIS N N 92 122.221 122.221 120.411 1.810 25502 414 1 1 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.288 0.054 25502 415 1 1 . 1 1 92 92 HIS CA C 92 56.756 56.756 55.429 1.327 25502 416 1 1 . 1 1 92 92 HIS CB C 92 25.895 25.895 28.369 -2.474 25502 417 1 1 . 1 1 92 92 HIS H H 92 10.706 10.706 7.927 2.779 25502 418 1 1 . 1 1 93 93 THR N N 93 110.178 110.178 114.551 -4.373 25502 419 1 1 . 1 1 93 93 THR HA H 93 4.004 4.004 4.540 -0.536 25502 420 1 1 . 1 1 93 93 THR CA C 93 63.018 63.018 60.337 2.682 25502 421 1 1 . 1 1 93 93 THR CB C 93 69.341 69.341 69.693 -0.352 25502 422 1 1 . 1 1 93 93 THR H H 93 7.261 7.261 7.698 -0.437 25502 423 1 1 . 1 1 94 94 GLY N N 94 106.990 106.990 109.496 -2.506 25502 424 1 1 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.443 1.011 25502 425 1 1 . 1 1 94 94 GLY H H 94 7.489 7.489 7.421 0.068 25502 426 1 1 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.488 -0.684 25502 427 1 1 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.653 -0.114 25502 428 1 1 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.531 29.421 25502 429 1 1 . 1 1 96 96 GLY N N 96 109.908 109.908 108.128 1.780 25502 430 1 1 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.707 -0.878 25502 431 1 1 . 1 1 96 96 GLY H H 96 9.271 9.271 8.810 0.461 25502 432 1 1 . 1 1 97 97 ILE N N 97 121.176 121.176 120.484 0.692 25502 433 1 1 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.448 -0.333 25502 434 1 1 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.002 0.309 25502 435 1 1 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.774 -1.016 25502 436 1 1 . 1 1 97 97 ILE H H 97 6.765 6.765 7.396 -0.631 25502 437 1 1 . 1 1 98 98 LEU N N 98 128.477 128.477 127.361 1.116 25502 438 1 1 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.656 0.342 25502 439 1 1 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.555 -0.322 25502 440 1 1 . 1 1 98 98 LEU CB C 98 43.625 43.625 43.846 -0.221 25502 441 1 1 . 1 1 98 98 LEU H H 98 7.872 7.872 8.016 -0.144 25502 442 1 1 . 1 1 99 99 SER N N 99 118.325 118.325 115.268 3.057 25502 443 1 1 . 1 1 99 99 SER HA H 99 5.316 5.316 5.056 0.260 25502 444 1 1 . 1 1 99 99 SER CA C 99 54.909 54.909 56.628 -1.719 25502 445 1 1 . 1 1 99 99 SER CB C 99 65.380 65.380 65.772 -0.392 25502 446 1 1 . 1 1 99 99 SER H H 99 8.285 8.285 8.333 -0.048 25502 447 1 1 . 1 1 100 100 MET N N 100 122.826 122.826 118.450 4.376 25502 448 1 1 . 1 1 100 100 MET HA H 100 5.259 5.259 4.772 0.487 25502 449 1 1 . 1 1 100 100 MET CA C 100 53.800 53.800 54.654 -0.854 25502 450 1 1 . 1 1 100 100 MET CB C 100 30.960 30.960 35.199 -4.239 25502 451 1 1 . 1 1 100 100 MET H H 100 8.544 8.544 8.014 0.530 25502 452 1 1 . 1 1 101 101 ALA N N 101 125.971 125.971 122.541 3.430 25502 453 1 1 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.336 -0.060 25502 454 1 1 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.352 0.145 25502 455 1 1 . 1 1 101 101 ALA CB C 101 19.403 19.403 18.771 0.632 25502 456 1 1 . 1 1 101 101 ALA H H 101 7.999 7.999 8.187 -0.188 25502 457 1 1 . 1 1 102 102 ASN N N 102 113.207 113.207 117.386 -4.179 25502 458 1 1 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.411 0.165 25502 459 1 1 . 1 1 102 102 ASN CA C 102 53.841 53.841 55.312 -1.470 25502 460 1 1 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.097 1.282 25502 461 1 1 . 1 1 102 102 ASN H H 102 8.097 8.097 8.148 -0.051 25502 462 1 1 . 1 1 103 103 ALA N N 103 123.056 123.056 116.691 6.365 25502 463 1 1 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.367 0.418 25502 464 1 1 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.500 -2.346 25502 465 1 1 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.466 -0.438 25502 466 1 1 . 1 1 103 103 ALA H H 103 8.787 8.787 7.745 1.042 25502 467 1 1 . 1 1 104 104 GLY N N 104 108.942 108.942 108.143 0.799 25502 468 1 1 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.379 -1.970 25502 469 1 1 . 1 1 104 104 GLY H H 104 8.111 8.111 8.138 -0.027 25502 470 1 1 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.548 -0.221 25502 471 1 1 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.336 0.547 25502 472 1 1 . 1 1 105 105 PRO CB C 105 31.902 31.902 31.064 0.838 25502 473 1 1 . 1 1 106 106 ASN N N 106 118.866 118.866 121.796 -2.930 25502 474 1 1 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.460 -0.463 25502 475 1 1 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.566 -0.462 25502 476 1 1 . 1 1 106 106 ASN CB C 106 36.992 36.992 36.879 0.113 25502 477 1 1 . 1 1 106 106 ASN H H 106 8.866 8.866 8.971 -0.105 25502 478 1 1 . 1 1 107 107 THR N N 107 109.971 109.971 105.632 4.339 25502 479 1 1 . 1 1 107 107 THR HA H 107 4.434 4.434 4.564 -0.130 25502 480 1 1 . 1 1 107 107 THR CA C 107 60.040 60.040 60.759 -0.719 25502 481 1 1 . 1 1 107 107 THR CB C 107 39.196 39.196 69.784 -30.588 25502 482 1 1 . 1 1 107 107 THR H H 107 10.165 10.165 7.529 2.636 25502 483 1 1 . 1 1 108 108 ASN N N 108 120.251 120.251 121.781 -1.530 25502 484 1 1 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.499 -0.284 25502 485 1 1 . 1 1 108 108 ASN CA C 108 55.448 55.448 55.339 0.109 25502 486 1 1 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.554 1.046 25502 487 1 1 . 1 1 108 108 ASN H H 108 7.349 7.349 8.704 -1.355 25502 488 1 1 . 1 1 109 109 GLY N N 109 110.632 110.632 108.638 1.994 25502 489 1 1 . 1 1 109 109 GLY CA C 109 46.039 46.039 47.106 -1.067 25502 490 1 1 . 1 1 109 109 GLY H H 109 9.188 9.188 8.657 0.531 25502 491 1 1 . 1 1 110 110 SER N N 110 116.806 116.806 116.084 0.722 25502 492 1 1 . 1 1 110 110 SER HA H 110 4.698 4.698 4.535 0.163 25502 493 1 1 . 1 1 110 110 SER CA C 110 57.454 57.454 58.103 -0.649 25502 494 1 1 . 1 1 110 110 SER CB C 110 65.964 65.964 63.604 2.360 25502 495 1 1 . 1 1 110 110 SER H H 110 8.738 8.738 8.382 0.356 25502 496 1 1 . 1 1 111 111 GLN N N 111 124.263 124.263 121.522 2.741 25502 497 1 1 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.397 0.771 25502 498 1 1 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.878 2.616 25502 499 1 1 . 1 1 111 111 GLN CB C 111 31.632 31.632 28.783 2.849 25502 500 1 1 . 1 1 111 111 GLN H H 111 8.388 8.388 8.008 0.380 25502 501 1 1 . 1 1 112 112 PHE N N 112 117.560 117.560 117.638 -0.078 25502 502 1 1 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.775 1.939 25502 503 1 1 . 1 1 112 112 PHE CA C 112 55.447 55.447 57.826 -2.379 25502 504 1 1 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.363 3.637 25502 505 1 1 . 1 1 112 112 PHE H H 112 8.058 8.058 7.126 0.932 25502 506 1 1 . 1 1 113 113 PHE N N 113 116.199 116.199 113.798 2.401 25502 507 1 1 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.752 0.918 25502 508 1 1 . 1 1 113 113 PHE CA C 113 54.437 54.437 54.749 -0.312 25502 509 1 1 . 1 1 113 113 PHE CB C 113 42.617 42.617 39.034 3.583 25502 510 1 1 . 1 1 113 113 PHE H H 113 9.795 9.795 8.177 1.618 25502 511 1 1 . 1 1 114 114 ILE N N 114 118.391 118.391 122.465 -4.074 25502 512 1 1 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.941 0.853 25502 513 1 1 . 1 1 114 114 ILE CA C 114 60.060 60.060 63.170 -3.110 25502 514 1 1 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.426 2.736 25502 515 1 1 . 1 1 114 114 ILE H H 114 9.098 9.098 8.799 0.299 25502 516 1 1 . 1 1 115 115 CYS N N 115 125.271 125.271 129.843 -4.572 25502 517 1 1 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.369 0.383 25502 518 1 1 . 1 1 115 115 CYS CA C 115 60.672 60.672 59.466 1.206 25502 519 1 1 . 1 1 115 115 CYS CB C 115 58.569 58.569 28.230 30.339 25502 520 1 1 . 1 1 115 115 CYS H H 115 9.597 9.597 8.377 1.220 25502 521 1 1 . 1 1 116 116 THR N N 116 115.478 115.478 120.406 -4.928 25502 522 1 1 . 1 1 116 116 THR HA H 116 4.324 4.324 4.307 0.017 25502 523 1 1 . 1 1 116 116 THR CA C 116 60.720 60.720 61.630 -0.910 25502 524 1 1 . 1 1 116 116 THR CB C 116 66.502 66.502 68.278 -1.776 25502 525 1 1 . 1 1 116 116 THR H H 116 8.947 8.947 8.214 0.733 25502 526 1 1 . 1 1 117 117 ALA N N 117 121.996 121.996 123.195 -1.199 25502 527 1 1 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.400 -0.042 25502 528 1 1 . 1 1 117 117 ALA CA C 117 50.511 50.511 52.220 -1.709 25502 529 1 1 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.589 2.019 25502 530 1 1 . 1 1 117 117 ALA H H 117 7.602 7.602 7.126 0.476 25502 531 1 1 . 1 1 118 118 LYS N N 118 119.550 119.550 124.564 -5.014 25502 532 1 1 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.833 -0.054 25502 533 1 1 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.357 0.307 25502 534 1 1 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.536 0.963 25502 535 1 1 . 1 1 118 118 LYS H H 118 8.690 8.690 8.153 0.537 25502 536 1 1 . 1 1 119 119 THR N N 119 118.759 118.759 118.612 0.147 25502 537 1 1 . 1 1 119 119 THR HA H 119 3.623 3.623 1.997 1.626 25502 538 1 1 . 1 1 119 119 THR CA C 119 57.088 57.088 59.559 -2.471 25502 539 1 1 . 1 1 119 119 THR H H 119 7.328 7.328 8.059 -0.731 25502 540 1 1 . 1 1 120 120 GLU N N 120 124.407 124.407 125.966 -1.559 25502 541 1 1 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.607 0.513 25502 542 1 1 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.053 1.019 25502 543 1 1 . 1 1 120 120 GLU H H 120 9.092 9.092 7.048 2.044 25502 544 1 1 . 1 1 121 121 TRP N N 121 117.495 117.495 116.802 0.693 25502 545 1 1 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.425 0.229 25502 546 1 1 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.129 1.332 25502 547 1 1 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.424 -1.674 25502 548 1 1 . 1 1 121 121 TRP H H 121 7.251 7.251 7.437 -0.186 25502 549 1 1 . 1 1 122 122 LEU N N 122 119.528 119.528 119.226 0.302 25502 550 1 1 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.184 0.067 25502 551 1 1 . 1 1 122 122 LEU CA C 122 54.500 54.500 55.836 -1.336 25502 552 1 1 . 1 1 122 122 LEU CB C 122 38.899 38.899 42.361 -3.462 25502 553 1 1 . 1 1 122 122 LEU H H 122 7.019 7.019 6.520 0.499 25502 554 1 1 . 1 1 123 123 ASP N N 123 121.832 121.832 116.156 5.676 25502 555 1 1 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.527 0.638 25502 556 1 1 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.462 0.395 25502 557 1 1 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.892 -1.520 25502 558 1 1 . 1 1 123 123 ASP H H 123 7.607 7.607 7.828 -0.221 25502 559 1 1 . 1 1 124 124 GLY N N 124 110.836 110.836 106.815 4.021 25502 560 1 1 . 1 1 124 124 GLY CA C 124 45.023 45.023 46.070 -1.047 25502 561 1 1 . 1 1 124 124 GLY H H 124 9.522 9.522 8.412 1.111 25502 562 1 1 . 1 1 125 125 LYS N N 125 115.016 115.016 117.419 -2.403 25502 563 1 1 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.074 0.035 25502 564 1 1 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.480 -0.232 25502 565 1 1 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.945 2.444 25502 566 1 1 . 1 1 125 125 LYS H H 125 7.727 7.727 8.095 -0.368 25502 567 1 1 . 1 1 126 126 HIS N N 126 119.223 119.223 113.298 5.925 25502 568 1 1 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.958 -0.159 25502 569 1 1 . 1 1 126 126 HIS CA C 126 54.559 54.559 55.416 -0.857 25502 570 1 1 . 1 1 126 126 HIS H H 126 7.571 7.571 7.741 -0.170 25502 571 1 1 . 1 1 127 127 VAL N N 127 124.730 124.730 121.055 3.675 25502 572 1 1 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.401 -0.143 25502 573 1 1 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.358 2.289 25502 574 1 1 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.569 -0.153 25502 575 1 1 . 1 1 127 127 VAL H H 127 8.474 8.474 8.805 -0.331 25502 576 1 1 . 1 1 128 128 VAL N N 128 132.814 132.814 128.097 4.717 25502 577 1 1 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.320 -0.170 25502 578 1 1 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.723 -1.354 25502 579 1 1 . 1 1 128 128 VAL H H 128 9.470 9.470 8.860 0.610 25502 580 1 1 . 1 1 129 129 PHE N N 129 117.478 117.478 122.489 -5.011 25502 581 1 1 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.926 0.327 25502 582 1 1 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.354 -0.447 25502 583 1 1 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.617 2.839 25502 584 1 1 . 1 1 129 129 PHE H H 129 8.086 8.086 7.900 0.186 25502 585 1 1 . 1 1 130 130 GLY N N 130 110.497 110.497 107.157 3.340 25502 586 1 1 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.588 0.806 25502 587 1 1 . 1 1 130 130 GLY H H 130 7.297 7.297 7.673 -0.376 25502 588 1 1 . 1 1 131 131 LYS N N 131 115.059 115.059 117.003 -1.944 25502 589 1 1 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.710 0.497 25502 590 1 1 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.898 -1.103 25502 591 1 1 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.231 0.621 25502 592 1 1 . 1 1 131 131 LYS H H 131 8.353 8.353 8.336 0.017 25502 593 1 1 . 1 1 132 132 VAL N N 132 123.802 123.802 126.462 -2.660 25502 594 1 1 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.828 0.060 25502 595 1 1 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.891 -0.944 25502 596 1 1 . 1 1 132 132 VAL CB C 132 32.547 32.547 31.250 1.297 25502 597 1 1 . 1 1 132 132 VAL H H 132 9.015 9.015 8.586 0.429 25502 598 1 1 . 1 1 133 133 LYS N N 133 131.324 131.324 128.044 3.280 25502 599 1 1 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.177 0.247 25502 600 1 1 . 1 1 133 133 LYS CA C 133 56.659 56.659 56.927 -0.268 25502 601 1 1 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.406 0.461 25502 602 1 1 . 1 1 133 133 LYS H H 133 9.469 9.469 8.783 0.686 25502 603 1 1 . 1 1 134 134 GLU N N 134 118.178 118.178 115.085 3.093 25502 604 1 1 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.418 0.141 25502 605 1 1 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.696 -0.548 25502 606 1 1 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.901 -0.165 25502 607 1 1 . 1 1 134 134 GLU H H 134 7.543 7.543 7.642 -0.099 25502 608 1 1 . 1 1 135 135 GLY N N 135 107.767 107.767 108.914 -1.147 25502 609 1 1 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.643 0.224 25502 610 1 1 . 1 1 135 135 GLY H H 135 8.693 8.693 8.636 0.057 25502 611 1 1 . 1 1 136 136 MET N N 136 122.307 122.307 119.874 2.433 25502 612 1 1 . 1 1 136 136 MET HA H 136 4.437 4.437 4.013 0.424 25502 613 1 1 . 1 1 136 136 MET CA C 136 56.659 56.659 56.600 0.059 25502 614 1 1 . 1 1 136 136 MET CB C 136 30.025 30.025 32.086 -2.061 25502 615 1 1 . 1 1 136 136 MET H H 136 8.790 8.790 8.520 0.270 25502 616 1 1 . 1 1 137 137 ASN N N 137 114.221 114.221 117.490 -3.269 25502 617 1 1 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.436 0.014 25502 618 1 1 . 1 1 137 137 ASN CA C 137 55.926 55.926 56.217 -0.291 25502 619 1 1 . 1 1 137 137 ASN CB C 137 35.817 35.817 38.275 -2.458 25502 620 1 1 . 1 1 137 137 ASN H H 137 8.849 8.849 8.400 0.449 25502 621 1 1 . 1 1 138 138 ILE N N 138 123.949 123.949 118.960 4.989 25502 622 1 1 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.871 -0.121 25502 623 1 1 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.621 -2.290 25502 624 1 1 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.999 -2.659 25502 625 1 1 . 1 1 138 138 ILE H H 138 7.642 7.642 8.278 -0.636 25502 626 1 1 . 1 1 139 139 VAL N N 139 121.654 121.654 119.699 1.955 25502 627 1 1 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.699 0.145 25502 628 1 1 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.446 -0.415 25502 629 1 1 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.405 -0.429 25502 630 1 1 . 1 1 139 139 VAL H H 139 7.244 7.244 7.473 -0.229 25502 631 1 1 . 1 1 140 140 GLU N N 140 117.078 117.078 118.939 -1.861 25502 632 1 1 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.105 -0.062 25502 633 1 1 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.814 0.348 25502 634 1 1 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.345 0.074 25502 635 1 1 . 1 1 140 140 GLU H H 140 8.291 8.291 7.671 0.620 25502 636 1 1 . 1 1 141 141 ALA N N 141 120.813 120.813 122.769 -1.956 25502 637 1 1 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.043 0.018 25502 638 1 1 . 1 1 141 141 ALA CA C 141 54.729 54.729 55.041 -0.312 25502 639 1 1 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.562 -0.546 25502 640 1 1 . 1 1 141 141 ALA H H 141 7.495 7.495 7.561 -0.066 25502 641 1 1 . 1 1 142 142 MET N N 142 117.301 117.301 117.109 0.192 25502 642 1 1 . 1 1 142 142 MET HA H 142 3.938 3.938 4.256 -0.318 25502 643 1 1 . 1 1 142 142 MET CA C 142 59.610 59.610 59.549 0.061 25502 644 1 1 . 1 1 142 142 MET CB C 142 33.678 33.678 32.439 1.239 25502 645 1 1 . 1 1 142 142 MET H H 142 8.259 8.259 7.915 0.344 25502 646 1 1 . 1 1 143 143 GLU N N 143 116.052 116.052 118.432 -2.380 25502 647 1 1 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.062 -0.346 25502 648 1 1 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.483 -0.301 25502 649 1 1 . 1 1 143 143 GLU CB C 143 30.271 30.271 29.408 0.863 25502 650 1 1 . 1 1 143 143 GLU H H 143 7.832 7.832 8.035 -0.203 25502 651 1 1 . 1 1 144 144 ARG N N 144 114.357 114.357 119.589 -5.232 25502 652 1 1 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.040 -0.118 25502 653 1 1 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.484 0.058 25502 654 1 1 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.807 -0.504 25502 655 1 1 . 1 1 144 144 ARG H H 144 7.034 7.034 7.501 -0.467 25502 656 1 1 . 1 1 145 145 PHE N N 145 115.146 115.146 119.290 -4.144 25502 657 1 1 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.637 0.156 25502 658 1 1 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.449 0.165 25502 659 1 1 . 1 1 145 145 PHE CB C 145 38.913 38.913 38.411 0.501 25502 660 1 1 . 1 1 145 145 PHE H H 145 7.624 7.624 7.692 -0.068 25502 661 1 1 . 1 1 146 146 GLY N N 146 104.498 104.498 106.650 -2.152 25502 662 1 1 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.565 0.584 25502 663 1 1 . 1 1 146 146 GLY H H 146 7.514 7.514 7.399 0.115 25502 664 1 1 . 1 1 147 147 SER N N 147 109.815 109.815 115.223 -5.408 25502 665 1 1 . 1 1 147 147 SER HA H 147 4.755 4.755 4.686 0.069 25502 666 1 1 . 1 1 147 147 SER CA C 147 58.033 58.033 56.361 1.672 25502 667 1 1 . 1 1 147 147 SER H H 147 8.190 8.190 8.112 0.078 25502 668 1 1 . 1 1 148 148 ARG N N 148 119.789 119.789 127.091 -7.302 25502 669 1 1 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.236 -0.069 25502 670 1 1 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.605 2.886 25502 671 1 1 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.836 1.826 25502 672 1 1 . 1 1 148 148 ARG H H 148 8.795 8.795 8.952 -0.157 25502 673 1 1 . 1 1 149 149 ASN N N 149 111.378 111.378 117.383 -6.005 25502 674 1 1 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.652 0.182 25502 675 1 1 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.402 -1.282 25502 676 1 1 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.877 -1.636 25502 677 1 1 . 1 1 149 149 ASN H H 149 7.841 7.841 8.501 -0.660 25502 678 1 1 . 1 1 150 150 GLY N N 150 109.893 109.893 107.948 1.945 25502 679 1 1 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.429 -0.532 25502 680 1 1 . 1 1 150 150 GLY H H 150 8.040 8.040 7.637 0.403 25502 681 1 1 . 1 1 151 151 LYS N N 151 119.608 119.608 123.518 -3.910 25502 682 1 1 . 1 1 151 151 LYS HA H 151 4.405 4.405 3.826 0.579 25502 683 1 1 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.641 -0.596 25502 684 1 1 . 1 1 151 151 LYS CB C 151 32.269 32.269 32.886 -0.618 25502 685 1 1 . 1 1 151 151 LYS H H 151 7.525 7.525 7.980 -0.455 25502 686 1 1 . 1 1 152 152 THR N N 152 116.317 116.317 112.341 3.976 25502 687 1 1 . 1 1 152 152 THR HA H 152 5.532 5.532 4.560 0.972 25502 688 1 1 . 1 1 152 152 THR CA C 152 59.953 59.953 60.478 -0.525 25502 689 1 1 . 1 1 152 152 THR CB C 152 71.108 71.108 70.202 0.906 25502 690 1 1 . 1 1 152 152 THR H H 152 8.823 8.823 8.041 0.782 25502 691 1 1 . 1 1 153 153 SER N N 153 116.804 116.804 120.448 -3.644 25502 692 1 1 . 1 1 153 153 SER HA H 153 4.456 4.456 4.479 -0.023 25502 693 1 1 . 1 1 153 153 SER CA C 153 58.712 58.712 60.095 -1.383 25502 694 1 1 . 1 1 153 153 SER CB C 153 63.477 63.477 63.878 -0.401 25502 695 1 1 . 1 1 153 153 SER H H 153 9.412 9.412 8.797 0.615 25502 696 1 1 . 1 1 154 154 LYS N N 154 119.068 119.068 122.544 -3.476 25502 697 1 1 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.197 0.335 25502 698 1 1 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.286 -1.886 25502 699 1 1 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.410 4.996 25502 700 1 1 . 1 1 154 154 LYS H H 154 7.527 7.527 8.059 -0.532 25502 701 1 1 . 1 1 155 155 LYS N N 155 121.541 121.541 122.794 -1.253 25502 702 1 1 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.589 -0.276 25502 703 1 1 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.345 0.802 25502 704 1 1 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.784 -0.796 25502 705 1 1 . 1 1 155 155 LYS H H 155 8.791 8.791 8.306 0.485 25502 706 1 1 . 1 1 156 156 ILE N N 156 133.980 133.980 130.333 3.647 25502 707 1 1 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.138 -0.046 25502 708 1 1 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.900 -1.636 25502 709 1 1 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.226 -1.386 25502 710 1 1 . 1 1 156 156 ILE H H 156 9.606 9.606 8.356 1.250 25502 711 1 1 . 1 1 157 157 THR N N 157 116.977 116.977 119.374 -2.397 25502 712 1 1 . 1 1 157 157 THR HA H 157 5.274 5.274 4.955 0.319 25502 713 1 1 . 1 1 157 157 THR CA C 157 59.475 59.475 60.409 -0.934 25502 714 1 1 . 1 1 157 157 THR CB C 157 72.475 72.475 72.326 0.149 25502 715 1 1 . 1 1 157 157 THR H H 157 9.233 9.233 8.366 0.867 25502 716 1 1 . 1 1 158 158 ILE N N 158 121.529 121.529 121.685 -0.156 25502 717 1 1 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.942 -0.700 25502 718 1 1 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.594 0.274 25502 719 1 1 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.544 -1.754 25502 720 1 1 . 1 1 158 158 ILE H H 158 8.580 8.580 8.816 -0.236 25502 721 1 1 . 1 1 159 159 ALA N N 159 132.313 132.313 131.909 0.404 25502 722 1 1 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.338 -0.214 25502 723 1 1 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.442 0.631 25502 724 1 1 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.759 -0.746 25502 725 1 1 . 1 1 159 159 ALA H H 159 8.873 8.873 8.962 -0.089 25502 726 1 1 . 1 1 160 160 ASP N N 160 111.257 111.257 115.833 -4.576 25502 727 1 1 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.840 0.050 25502 728 1 1 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.163 -0.525 25502 729 1 1 . 1 1 160 160 ASP CB C 160 43.587 43.587 44.002 -0.415 25502 730 1 1 . 1 1 160 160 ASP H H 160 8.066 8.066 7.884 0.182 25502 731 1 1 . 1 1 161 161 CYS N N 161 115.837 115.837 117.694 -1.857 25502 732 1 1 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.167 1.377 25502 733 1 1 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.420 -0.272 25502 734 1 1 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.201 0.936 25502 735 1 1 . 1 1 161 161 CYS H H 161 8.591 8.591 8.304 0.287 25502 736 1 1 . 1 1 162 162 GLY N N 162 103.888 103.888 107.459 -3.571 25502 737 1 1 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.862 0.487 25502 738 1 1 . 1 1 162 162 GLY H H 162 6.844 6.844 6.539 0.305 25502 739 1 1 . 1 1 163 163 GLN N N 163 120.718 120.718 120.645 0.073 25502 740 1 1 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.621 0.448 25502 741 1 1 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.789 -1.980 25502 742 1 1 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.427 1.163 25502 743 1 1 . 1 1 163 163 GLN H H 163 9.066 9.066 8.484 0.582 25502 744 1 1 . 1 1 164 164 LEU N N 164 125.816 125.816 126.300 -0.484 25502 745 1 1 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.443 0.164 25502 746 1 1 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.022 -1.283 25502 747 1 1 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.057 1.305 25502 748 1 1 . 1 1 164 164 LEU H H 164 8.593 8.593 9.078 -0.485 25502 749 1 2 . 1 1 2 2 VAL HA H 2 4.176 4.176 3.839 0.337 25502 750 1 2 . 1 1 2 2 VAL CA C 2 61.492 61.492 63.395 -1.903 25502 751 1 2 . 1 1 2 2 VAL CB C 2 33.126 33.126 31.588 1.538 25502 752 1 2 . 1 1 3 3 ASN N N 3 126.515 126.515 126.818 -0.303 25502 753 1 2 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.124 0.013 25502 754 1 2 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.011 -0.003 25502 755 1 2 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.932 -2.133 25502 756 1 2 . 1 1 3 3 ASN H H 3 8.600 8.600 8.412 0.188 25502 757 1 2 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.520 0.233 25502 758 1 2 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.891 -0.222 25502 759 1 2 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.611 0.527 25502 760 1 2 . 1 1 5 5 THR N N 5 114.826 114.826 116.103 -1.277 25502 761 1 2 . 1 1 5 5 THR HA H 5 5.716 5.716 5.016 0.700 25502 762 1 2 . 1 1 5 5 THR CA C 5 60.698 60.698 61.442 -0.744 25502 763 1 2 . 1 1 5 5 THR CB C 5 41.142 41.142 71.961 -30.819 25502 764 1 2 . 1 1 5 5 THR H H 5 8.771 8.771 8.216 0.555 25502 765 1 2 . 1 1 6 6 VAL N N 6 120.113 120.113 121.293 -1.180 25502 766 1 2 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.488 -0.149 25502 767 1 2 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.249 -0.452 25502 768 1 2 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.491 0.644 25502 769 1 2 . 1 1 6 6 VAL H H 6 8.741 8.741 8.280 0.461 25502 770 1 2 . 1 1 7 7 PHE N N 7 118.968 118.968 121.369 -2.401 25502 771 1 2 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.064 0.831 25502 772 1 2 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.193 0.495 25502 773 1 2 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.828 1.215 25502 774 1 2 . 1 1 7 7 PHE H H 7 8.954 8.954 8.422 0.532 25502 775 1 2 . 1 1 8 8 PHE N N 8 116.774 116.774 120.153 -3.379 25502 776 1 2 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.788 0.529 25502 777 1 2 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.324 -3.901 25502 778 1 2 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.556 1.314 25502 779 1 2 . 1 1 8 8 PHE H H 8 9.540 9.540 8.534 1.006 25502 780 1 2 . 1 1 9 9 ASP N N 9 123.959 123.959 124.883 -0.924 25502 781 1 2 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.641 0.892 25502 782 1 2 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.334 -0.569 25502 783 1 2 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.191 0.122 25502 784 1 2 . 1 1 9 9 ASP H H 9 9.266 9.266 9.209 0.057 25502 785 1 2 . 1 1 10 10 ILE N N 10 124.122 124.122 125.238 -1.116 25502 786 1 2 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.567 0.605 25502 787 1 2 . 1 1 10 10 ILE CA C 10 58.159 58.159 59.926 -1.767 25502 788 1 2 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.377 0.326 25502 789 1 2 . 1 1 10 10 ILE H H 10 9.030 9.030 7.811 1.219 25502 790 1 2 . 1 1 11 11 ALA N N 11 132.244 132.244 130.615 1.629 25502 791 1 2 . 1 1 11 11 ALA HA H 11 5.165 5.165 5.046 0.119 25502 792 1 2 . 1 1 11 11 ALA CA C 11 50.664 50.664 49.992 0.672 25502 793 1 2 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.095 29.466 25502 794 1 2 . 1 1 11 11 ALA H H 11 9.603 9.603 9.176 0.427 25502 795 1 2 . 1 1 12 12 VAL N N 12 118.199 118.199 120.911 -2.712 25502 796 1 2 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.563 -0.052 25502 797 1 2 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.386 -0.960 25502 798 1 2 . 1 1 12 12 VAL CB C 12 33.181 33.181 33.135 0.046 25502 799 1 2 . 1 1 12 12 VAL H H 12 8.943 8.943 8.815 0.128 25502 800 1 2 . 1 1 13 13 ASP N N 13 130.748 130.748 129.112 1.636 25502 801 1 2 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.261 0.059 25502 802 1 2 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.459 0.367 25502 803 1 2 . 1 1 13 13 ASP CB C 13 39.835 39.835 39.894 -0.059 25502 804 1 2 . 1 1 13 13 ASP H H 13 9.846 9.846 8.959 0.887 25502 805 1 2 . 1 1 14 14 GLY N N 14 101.493 101.493 103.856 -2.363 25502 806 1 2 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.906 0.176 25502 807 1 2 . 1 1 14 14 GLY H H 14 8.558 8.558 8.587 -0.029 25502 808 1 2 . 1 1 15 15 GLU N N 15 123.014 123.014 124.014 -1.000 25502 809 1 2 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.672 0.164 25502 810 1 2 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.925 -0.172 25502 811 1 2 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.140 0.097 25502 812 1 2 . 1 1 15 15 GLU H H 15 8.046 8.046 7.662 0.384 25502 813 1 2 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.570 -0.394 25502 814 1 2 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.011 1.536 25502 815 1 2 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.354 29.757 25502 816 1 2 . 1 1 17 17 LEU N N 17 125.784 125.784 123.998 1.786 25502 817 1 2 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.123 0.564 25502 818 1 2 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.640 -1.292 25502 819 1 2 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.556 1.601 25502 820 1 2 . 1 1 17 17 LEU H H 17 9.189 9.189 8.763 0.426 25502 821 1 2 . 1 1 18 18 GLY N N 18 102.200 102.200 103.841 -1.641 25502 822 1 2 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.591 0.378 25502 823 1 2 . 1 1 18 18 GLY H H 18 7.256 7.256 7.452 -0.196 25502 824 1 2 . 1 1 19 19 ARG N N 19 120.995 120.995 123.012 -2.017 25502 825 1 2 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.739 0.883 25502 826 1 2 . 1 1 19 19 ARG CA C 19 55.015 55.015 54.871 0.144 25502 827 1 2 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.059 0.281 25502 828 1 2 . 1 1 19 19 ARG H H 19 8.320 8.320 8.337 -0.017 25502 829 1 2 . 1 1 20 20 VAL N N 20 126.616 126.616 124.807 1.809 25502 830 1 2 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.914 -0.311 25502 831 1 2 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.758 -0.817 25502 832 1 2 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.593 2.290 25502 833 1 2 . 1 1 20 20 VAL H H 20 9.364 9.364 8.604 0.760 25502 834 1 2 . 1 1 21 21 SER N N 21 120.061 120.061 120.985 -0.924 25502 835 1 2 . 1 1 21 21 SER HA H 21 5.515 5.515 5.133 0.382 25502 836 1 2 . 1 1 21 21 SER CA C 21 55.317 55.317 55.642 -0.326 25502 837 1 2 . 1 1 21 21 SER CB C 21 36.773 36.773 65.692 -28.919 25502 838 1 2 . 1 1 21 21 SER H H 21 8.768 8.768 7.839 0.929 25502 839 1 2 . 1 1 22 22 PHE N N 22 118.878 118.878 117.445 1.433 25502 840 1 2 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.212 0.025 25502 841 1 2 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.944 -1.256 25502 842 1 2 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.137 -0.563 25502 843 1 2 . 1 1 22 22 PHE H H 22 9.508 9.508 9.071 0.437 25502 844 1 2 . 1 1 23 23 GLU N N 23 122.926 122.926 123.725 -0.799 25502 845 1 2 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.592 0.157 25502 846 1 2 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.833 0.116 25502 847 1 2 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.295 1.334 25502 848 1 2 . 1 1 23 23 GLU H H 23 8.740 8.740 9.002 -0.262 25502 849 1 2 . 1 1 24 24 LEU N N 24 122.262 122.262 127.900 -5.638 25502 850 1 2 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.560 0.137 25502 851 1 2 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.435 -2.884 25502 852 1 2 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.583 0.537 25502 853 1 2 . 1 1 24 24 LEU H H 24 8.185 8.185 7.989 0.196 25502 854 1 2 . 1 1 25 25 PHE N N 25 124.423 124.423 124.146 0.277 25502 855 1 2 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.643 0.465 25502 856 1 2 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.500 -3.210 25502 857 1 2 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.502 -0.541 25502 858 1 2 . 1 1 25 25 PHE H H 25 8.815 8.815 9.421 -0.606 25502 859 1 2 . 1 1 26 26 ALA N N 26 128.683 128.683 125.268 3.415 25502 860 1 2 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.220 -0.449 25502 861 1 2 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.507 -0.221 25502 862 1 2 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.443 0.182 25502 863 1 2 . 1 1 26 26 ALA H H 26 8.433 8.433 8.230 0.203 25502 864 1 2 . 1 1 27 27 ASP N N 27 114.069 114.069 117.213 -3.144 25502 865 1 2 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.522 -0.279 25502 866 1 2 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.430 -1.102 25502 867 1 2 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.172 -2.317 25502 868 1 2 . 1 1 27 27 ASP H H 27 9.052 9.052 8.492 0.560 25502 869 1 2 . 1 1 28 28 LYS N N 28 117.763 117.763 117.017 0.746 25502 870 1 2 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.463 0.108 25502 871 1 2 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.990 -0.758 25502 872 1 2 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.922 1.000 25502 873 1 2 . 1 1 28 28 LYS H H 28 7.545 7.545 8.066 -0.521 25502 874 1 2 . 1 1 29 29 VAL N N 29 114.212 114.212 115.510 -1.298 25502 875 1 2 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.592 -0.141 25502 876 1 2 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.855 -0.766 25502 877 1 2 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.437 0.308 25502 878 1 2 . 1 1 29 29 VAL H H 29 8.368 8.368 8.231 0.137 25502 879 1 2 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.249 0.146 25502 880 1 2 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.637 0.446 25502 881 1 2 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.229 -0.925 25502 882 1 2 . 1 1 31 31 LYS N N 31 123.500 123.500 118.505 4.995 25502 883 1 2 . 1 1 31 31 LYS HA H 31 4.007 4.007 3.959 0.048 25502 884 1 2 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.195 1.161 25502 885 1 2 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.421 0.858 25502 886 1 2 . 1 1 31 31 LYS H H 31 10.663 10.663 8.631 2.032 25502 887 1 2 . 1 1 32 32 THR N N 32 123.707 123.707 111.670 12.037 25502 888 1 2 . 1 1 32 32 THR HA H 32 3.988 3.988 4.037 -0.049 25502 889 1 2 . 1 1 32 32 THR CA C 32 37.678 37.678 64.813 -27.135 25502 890 1 2 . 1 1 32 32 THR CB C 32 38.883 38.883 68.784 -29.901 25502 891 1 2 . 1 1 32 32 THR H H 32 10.283 10.283 7.494 2.789 25502 892 1 2 . 1 1 33 33 ALA N N 33 125.366 125.366 124.858 0.508 25502 893 1 2 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.371 -0.334 25502 894 1 2 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.578 0.289 25502 895 1 2 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.337 -0.102 25502 896 1 2 . 1 1 33 33 ALA H H 33 9.281 9.281 8.522 0.759 25502 897 1 2 . 1 1 34 34 GLU N N 34 117.040 117.040 117.956 -0.916 25502 898 1 2 . 1 1 34 34 GLU HA H 34 4.509 4.509 4.008 0.501 25502 899 1 2 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.438 -1.552 25502 900 1 2 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.533 28.370 25502 901 1 2 . 1 1 34 34 GLU H H 34 8.027 8.027 8.519 -0.492 25502 902 1 2 . 1 1 35 35 ASN N N 35 115.398 115.398 118.804 -3.406 25502 903 1 2 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.555 -0.501 25502 904 1 2 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.498 0.133 25502 905 1 2 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.620 0.845 25502 906 1 2 . 1 1 35 35 ASN H H 35 7.139 7.139 7.730 -0.591 25502 907 1 2 . 1 1 36 36 PHE N N 36 117.607 117.607 120.431 -2.824 25502 908 1 2 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.372 -0.263 25502 909 1 2 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.369 1.022 25502 910 1 2 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.210 0.803 25502 911 1 2 . 1 1 36 36 PHE H H 36 7.012 7.012 7.793 -0.781 25502 912 1 2 . 1 1 37 37 ARG N N 37 120.804 120.804 120.172 0.632 25502 913 1 2 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.066 -0.434 25502 914 1 2 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.328 1.053 25502 915 1 2 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.459 -0.599 25502 916 1 2 . 1 1 37 37 ARG H H 37 8.935 8.935 8.696 0.239 25502 917 1 2 . 1 1 38 38 ALA N N 38 118.869 118.869 122.764 -3.895 25502 918 1 2 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.060 0.009 25502 919 1 2 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.091 -0.751 25502 920 1 2 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.286 -0.051 25502 921 1 2 . 1 1 38 38 ALA H H 38 8.687 8.687 8.290 0.397 25502 922 1 2 . 1 1 39 39 LEU N N 39 120.488 120.488 118.311 2.177 25502 923 1 2 . 1 1 39 39 LEU HA H 39 3.744 3.744 4.050 -0.306 25502 924 1 2 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.250 -0.135 25502 925 1 2 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.096 -1.070 25502 926 1 2 . 1 1 39 39 LEU H H 39 8.173 8.173 7.722 0.451 25502 927 1 2 . 1 1 40 40 SER N N 40 118.952 118.952 113.984 4.968 25502 928 1 2 . 1 1 40 40 SER HA H 40 4.444 4.444 3.883 0.561 25502 929 1 2 . 1 1 40 40 SER CA C 40 62.334 62.334 61.520 0.814 25502 930 1 2 . 1 1 40 40 SER CB C 40 62.884 62.884 62.719 0.165 25502 931 1 2 . 1 1 40 40 SER H H 40 7.900 7.900 7.751 0.149 25502 932 1 2 . 1 1 41 41 THR N N 41 108.208 108.208 111.615 -3.407 25502 933 1 2 . 1 1 41 41 THR HA H 41 4.288 4.288 4.129 0.159 25502 934 1 2 . 1 1 41 41 THR CA C 41 62.810 62.810 64.688 -1.878 25502 935 1 2 . 1 1 41 41 THR CB C 41 69.221 69.221 69.689 -0.468 25502 936 1 2 . 1 1 41 41 THR H H 41 7.974 7.974 8.328 -0.354 25502 937 1 2 . 1 1 42 42 GLY N N 42 108.122 108.122 109.462 -1.340 25502 938 1 2 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.227 0.530 25502 939 1 2 . 1 1 42 42 GLY H H 42 7.582 7.582 7.983 -0.401 25502 940 1 2 . 1 1 43 43 GLU N N 43 118.454 118.454 122.515 -4.061 25502 941 1 2 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.940 0.180 25502 942 1 2 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.651 -0.294 25502 943 1 2 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.055 0.887 25502 944 1 2 . 1 1 43 43 GLU H H 43 8.009 8.009 7.847 0.162 25502 945 1 2 . 1 1 44 44 LYS N N 44 118.055 118.055 119.209 -1.154 25502 946 1 2 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.985 0.296 25502 947 1 2 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.649 -3.529 25502 948 1 2 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.627 -2.331 25502 949 1 2 . 1 1 44 44 LYS H H 44 9.102 9.102 7.719 1.383 25502 950 1 2 . 1 1 45 45 GLY N N 45 105.305 105.305 105.266 0.039 25502 951 1 2 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.127 -0.596 25502 952 1 2 . 1 1 45 45 GLY H H 45 7.939 7.939 8.255 -0.316 25502 953 1 2 . 1 1 46 46 PHE N N 46 113.461 113.461 116.050 -2.589 25502 954 1 2 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.954 -0.330 25502 955 1 2 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.712 -1.831 25502 956 1 2 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.160 0.308 25502 957 1 2 . 1 1 46 46 PHE H H 46 6.413 6.413 7.564 -1.151 25502 958 1 2 . 1 1 47 47 GLY N N 47 104.416 104.416 106.681 -2.265 25502 959 1 2 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.008 0.450 25502 960 1 2 . 1 1 47 47 GLY H H 47 7.686 7.686 8.474 -0.788 25502 961 1 2 . 1 1 48 48 TYR N N 48 113.530 113.530 120.764 -7.234 25502 962 1 2 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.613 -0.405 25502 963 1 2 . 1 1 48 48 TYR CA C 48 57.039 57.039 57.487 -0.448 25502 964 1 2 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.057 -0.638 25502 965 1 2 . 1 1 48 48 TYR H H 48 6.887 6.887 8.076 -1.189 25502 966 1 2 . 1 1 49 49 LYS N N 49 124.631 124.631 121.135 3.496 25502 967 1 2 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.036 -0.441 25502 968 1 2 . 1 1 49 49 LYS CA C 49 60.882 60.882 58.025 2.857 25502 969 1 2 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.678 -1.510 25502 970 1 2 . 1 1 49 49 LYS H H 49 8.474 8.474 7.931 0.543 25502 971 1 2 . 1 1 50 50 GLY N N 50 117.591 117.591 112.332 5.259 25502 972 1 2 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.974 -0.932 25502 973 1 2 . 1 1 50 50 GLY H H 50 9.482 9.482 9.002 0.480 25502 974 1 2 . 1 1 51 51 SER N N 51 116.156 116.156 115.833 0.323 25502 975 1 2 . 1 1 51 51 SER HA H 51 4.658 4.658 4.429 0.229 25502 976 1 2 . 1 1 51 51 SER CA C 51 58.682 58.682 60.659 -1.977 25502 977 1 2 . 1 1 51 51 SER CB C 51 64.607 64.607 63.898 0.709 25502 978 1 2 . 1 1 51 51 SER H H 51 8.397 8.397 7.983 0.414 25502 979 1 2 . 1 1 52 52 CYS N N 52 114.800 114.800 117.166 -2.366 25502 980 1 2 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.393 1.502 25502 981 1 2 . 1 1 52 52 CYS CA C 52 55.965 55.965 59.142 -3.177 25502 982 1 2 . 1 1 52 52 CYS CB C 52 31.719 31.719 28.228 3.491 25502 983 1 2 . 1 1 52 52 CYS H H 52 9.858 9.858 7.536 2.322 25502 984 1 2 . 1 1 53 53 PHE N N 53 122.839 122.839 120.820 2.019 25502 985 1 2 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.757 0.096 25502 986 1 2 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.715 0.368 25502 987 1 2 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.628 -1.900 25502 988 1 2 . 1 1 53 53 PHE H H 53 8.702 8.702 8.474 0.228 25502 989 1 2 . 1 1 54 54 HIS N N 54 119.944 119.944 122.336 -2.392 25502 990 1 2 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.814 -0.108 25502 991 1 2 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.387 1.598 25502 992 1 2 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.754 0.590 25502 993 1 2 . 1 1 54 54 HIS H H 54 7.623 7.623 8.677 -1.054 25502 994 1 2 . 1 1 55 55 ARG N N 55 122.758 122.758 119.455 3.303 25502 995 1 2 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.821 0.278 25502 996 1 2 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.351 -1.648 25502 997 1 2 . 1 1 55 55 ARG CB C 55 33.771 33.771 32.956 0.815 25502 998 1 2 . 1 1 55 55 ARG H H 55 7.031 7.031 7.905 -0.874 25502 999 1 2 . 1 1 56 56 ILE N N 56 126.170 126.170 126.016 0.154 25502 1000 1 2 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.490 0.099 25502 1001 1 2 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.432 0.019 25502 1002 1 2 . 1 1 56 56 ILE CB C 56 41.632 41.632 42.207 -0.575 25502 1003 1 2 . 1 1 56 56 ILE H H 56 9.166 9.166 9.058 0.108 25502 1004 1 2 . 1 1 57 57 ILE N N 57 127.731 127.731 126.464 1.267 25502 1005 1 2 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.976 0.221 25502 1006 1 2 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.703 -0.089 25502 1007 1 2 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.768 0.247 25502 1008 1 2 . 1 1 57 57 ILE H H 57 8.718 8.718 8.451 0.267 25502 1009 1 2 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.572 -0.248 25502 1010 1 2 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.060 -0.112 25502 1011 1 2 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.874 2.037 25502 1012 1 2 . 1 1 59 59 GLY N N 59 113.877 113.877 108.198 5.679 25502 1013 1 2 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.914 -0.736 25502 1014 1 2 . 1 1 59 59 GLY H H 59 9.679 9.679 8.453 1.226 25502 1015 1 2 . 1 1 60 60 PHE N N 60 118.955 118.955 121.727 -2.772 25502 1016 1 2 . 1 1 60 60 PHE HA H 60 5.093 5.093 5.161 -0.068 25502 1017 1 2 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.112 -1.367 25502 1018 1 2 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.399 -2.706 25502 1019 1 2 . 1 1 60 60 PHE H H 60 8.095 8.095 7.924 0.171 25502 1020 1 2 . 1 1 61 61 MET N N 61 110.963 110.963 110.916 0.047 25502 1021 1 2 . 1 1 61 61 MET HA H 61 5.311 5.311 5.001 0.310 25502 1022 1 2 . 1 1 61 61 MET CA C 61 54.802 54.802 55.435 -0.633 25502 1023 1 2 . 1 1 61 61 MET CB C 61 34.892 34.892 34.316 0.576 25502 1024 1 2 . 1 1 61 61 MET H H 61 8.088 8.088 7.804 0.284 25502 1025 1 2 . 1 1 62 62 CYS N N 62 114.627 114.627 118.100 -3.473 25502 1026 1 2 . 1 1 62 62 CYS HA H 62 4.873 4.873 5.033 -0.160 25502 1027 1 2 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.404 -0.069 25502 1028 1 2 . 1 1 62 62 CYS CB C 62 60.060 60.060 31.494 28.566 25502 1029 1 2 . 1 1 62 62 CYS H H 62 8.474 8.474 8.597 -0.123 25502 1030 1 2 . 1 1 63 63 GLN N N 63 126.463 126.463 118.523 7.940 25502 1031 1 2 . 1 1 63 63 GLN HA H 63 5.376 5.376 5.260 0.116 25502 1032 1 2 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.607 -1.083 25502 1033 1 2 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.710 -2.310 25502 1034 1 2 . 1 1 63 63 GLN H H 63 9.651 9.651 8.981 0.670 25502 1035 1 2 . 1 1 64 64 GLY N N 64 110.531 110.531 107.969 2.562 25502 1036 1 2 . 1 1 64 64 GLY CA C 64 44.400 44.400 44.002 0.398 25502 1037 1 2 . 1 1 64 64 GLY H H 64 7.352 7.352 8.099 -0.747 25502 1038 1 2 . 1 1 65 65 GLY N N 65 105.572 105.572 108.441 -2.869 25502 1039 1 2 . 1 1 65 65 GLY CA C 65 46.425 46.425 45.835 0.590 25502 1040 1 2 . 1 1 65 65 GLY H H 65 9.292 9.292 7.818 1.474 25502 1041 1 2 . 1 1 66 66 ASP N N 66 123.656 123.656 119.543 4.113 25502 1042 1 2 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.240 0.050 25502 1043 1 2 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.731 -2.226 25502 1044 1 2 . 1 1 66 66 ASP CB C 66 38.702 38.702 40.908 -2.206 25502 1045 1 2 . 1 1 66 66 ASP H H 66 9.910 9.910 7.473 2.437 25502 1046 1 2 . 1 1 67 67 PHE N N 67 115.914 115.914 119.272 -3.358 25502 1047 1 2 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.741 -0.144 25502 1048 1 2 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.788 -1.004 25502 1049 1 2 . 1 1 67 67 PHE CB C 67 39.357 39.357 37.931 1.426 25502 1050 1 2 . 1 1 67 67 PHE H H 67 6.624 6.624 7.508 -0.884 25502 1051 1 2 . 1 1 68 68 THR N N 68 108.853 108.853 112.876 -4.023 25502 1052 1 2 . 1 1 68 68 THR HA H 68 4.638 4.638 4.393 0.245 25502 1053 1 2 . 1 1 68 68 THR CA C 68 61.621 61.621 61.913 -0.292 25502 1054 1 2 . 1 1 68 68 THR CB C 68 68.789 68.789 71.175 -2.386 25502 1055 1 2 . 1 1 68 68 THR H H 68 7.320 7.320 7.299 0.021 25502 1056 1 2 . 1 1 69 69 ARG N N 69 121.780 121.780 123.639 -1.859 25502 1057 1 2 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.496 -0.134 25502 1058 1 2 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.256 -1.228 25502 1059 1 2 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.862 30.671 25502 1060 1 2 . 1 1 69 69 ARG H H 69 8.655 8.655 8.443 0.212 25502 1061 1 2 . 1 1 70 70 HIS N N 70 112.009 112.009 117.799 -5.790 25502 1062 1 2 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.352 0.046 25502 1063 1 2 . 1 1 70 70 HIS CA C 70 57.135 57.135 58.991 -1.856 25502 1064 1 2 . 1 1 70 70 HIS CB C 70 58.434 58.434 28.912 29.522 25502 1065 1 2 . 1 1 70 70 HIS H H 70 6.838 6.838 8.574 -1.736 25502 1066 1 2 . 1 1 71 71 ASN N N 71 112.340 112.340 114.778 -2.438 25502 1067 1 2 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.795 -0.200 25502 1068 1 2 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.859 -1.699 25502 1069 1 2 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.700 -0.993 25502 1070 1 2 . 1 1 71 71 ASN H H 71 7.519 7.519 8.454 -0.935 25502 1071 1 2 . 1 1 72 72 GLY N N 72 110.239 110.239 108.452 1.787 25502 1072 1 2 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.592 -1.019 25502 1073 1 2 . 1 1 72 72 GLY H H 72 9.619 9.619 8.058 1.561 25502 1074 1 2 . 1 1 73 73 THR N N 73 111.802 111.802 116.492 -4.690 25502 1075 1 2 . 1 1 73 73 THR HA H 73 4.487 4.487 4.232 0.255 25502 1076 1 2 . 1 1 73 73 THR CA C 73 62.070 62.070 62.891 -0.820 25502 1077 1 2 . 1 1 73 73 THR CB C 73 40.762 40.762 69.237 -28.475 25502 1078 1 2 . 1 1 73 73 THR H H 73 7.930 7.930 8.096 -0.166 25502 1079 1 2 . 1 1 74 74 GLY N N 74 113.668 113.668 109.597 4.071 25502 1080 1 2 . 1 1 74 74 GLY CA C 74 44.908 44.908 45.032 -0.124 25502 1081 1 2 . 1 1 74 74 GLY H H 74 8.669 8.669 7.365 1.304 25502 1082 1 2 . 1 1 75 75 GLY N N 75 108.813 108.813 111.136 -2.323 25502 1083 1 2 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.789 -1.752 25502 1084 1 2 . 1 1 75 75 GLY H H 75 8.066 8.066 7.802 0.264 25502 1085 1 2 . 1 1 76 76 LYS N N 76 115.526 115.526 117.071 -1.545 25502 1086 1 2 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.952 -0.367 25502 1087 1 2 . 1 1 76 76 LYS CA C 76 55.707 55.707 53.983 1.724 25502 1088 1 2 . 1 1 76 76 LYS CB C 76 34.515 34.515 36.663 -2.148 25502 1089 1 2 . 1 1 76 76 LYS H H 76 6.981 6.981 8.265 -1.284 25502 1090 1 2 . 1 1 77 77 SER N N 77 114.105 114.105 115.335 -1.230 25502 1091 1 2 . 1 1 77 77 SER HA H 77 5.185 5.185 4.666 0.519 25502 1092 1 2 . 1 1 77 77 SER CA C 77 56.816 56.816 58.040 -1.224 25502 1093 1 2 . 1 1 77 77 SER CB C 77 38.963 38.963 64.448 -25.485 25502 1094 1 2 . 1 1 78 78 ILE N N 78 110.963 110.963 114.664 -3.701 25502 1095 1 2 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.510 -0.340 25502 1096 1 2 . 1 1 78 78 ILE CA C 78 63.517 63.517 61.033 2.484 25502 1097 1 2 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.125 0.183 25502 1098 1 2 . 1 1 78 78 ILE H H 78 8.557 8.557 8.306 0.251 25502 1099 1 2 . 1 1 79 79 TYR N N 79 120.472 120.472 119.485 0.987 25502 1100 1 2 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.798 -0.131 25502 1101 1 2 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.966 -2.819 25502 1102 1 2 . 1 1 79 79 TYR CB C 79 38.725 38.725 40.682 -1.957 25502 1103 1 2 . 1 1 79 79 TYR H H 79 8.007 8.007 7.645 0.362 25502 1104 1 2 . 1 1 80 80 GLY N N 80 106.402 106.402 106.292 0.110 25502 1105 1 2 . 1 1 80 80 GLY CA C 80 43.748 43.748 46.345 -2.597 25502 1106 1 2 . 1 1 80 80 GLY H H 80 7.115 7.115 8.095 -0.980 25502 1107 1 2 . 1 1 81 81 GLU N N 81 122.838 122.838 116.679 6.159 25502 1108 1 2 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.551 -0.605 25502 1109 1 2 . 1 1 81 81 GLU CA C 81 60.138 60.138 56.663 3.475 25502 1110 1 2 . 1 1 81 81 GLU CB C 81 30.108 30.108 32.572 -2.464 25502 1111 1 2 . 1 1 81 81 GLU H H 81 8.878 8.878 8.490 0.388 25502 1112 1 2 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.772 1.753 25502 1113 1 2 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.990 -2.215 25502 1114 1 2 . 1 1 82 82 LYS CB C 82 36.311 36.311 32.328 3.983 25502 1115 1 2 . 1 1 82 82 LYS H H 82 7.799 7.799 7.692 0.107 25502 1116 1 2 . 1 1 83 83 PHE N N 83 116.432 116.432 115.319 1.113 25502 1117 1 2 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.853 0.092 25502 1118 1 2 . 1 1 83 83 PHE CA C 83 55.737 55.737 54.566 1.171 25502 1119 1 2 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.395 -0.101 25502 1120 1 2 . 1 1 83 83 PHE H H 83 9.147 9.147 7.639 1.508 25502 1121 1 2 . 1 1 84 84 GLU N N 84 119.352 119.352 119.907 -0.555 25502 1122 1 2 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.317 -0.515 25502 1123 1 2 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.660 0.537 25502 1124 1 2 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.392 -1.288 25502 1125 1 2 . 1 1 84 84 GLU H H 84 9.252 9.252 8.404 0.848 25502 1126 1 2 . 1 1 85 85 ASP N N 85 118.583 118.583 121.271 -2.688 25502 1127 1 2 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.426 -0.200 25502 1128 1 2 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.176 -1.202 25502 1129 1 2 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.268 -0.483 25502 1130 1 2 . 1 1 85 85 ASP H H 85 8.593 8.593 8.503 0.090 25502 1131 1 2 . 1 1 86 86 GLU N N 86 131.488 131.488 120.678 10.810 25502 1132 1 2 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.204 -0.409 25502 1133 1 2 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.171 3.102 25502 1134 1 2 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.580 1.059 25502 1135 1 2 . 1 1 86 86 GLU H H 86 9.461 9.461 8.768 0.693 25502 1136 1 2 . 1 1 87 87 ASN N N 87 106.549 106.549 114.398 -7.849 25502 1137 1 2 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.012 0.118 25502 1138 1 2 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.898 0.691 25502 1139 1 2 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.438 -0.089 25502 1140 1 2 . 1 1 87 87 ASN H H 87 7.044 7.044 7.513 -0.469 25502 1141 1 2 . 1 1 88 88 PHE N N 88 112.731 112.731 114.815 -2.084 25502 1142 1 2 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.873 1.054 25502 1143 1 2 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.332 -0.644 25502 1144 1 2 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.509 0.311 25502 1145 1 2 . 1 1 88 88 PHE H H 88 8.319 8.319 8.066 0.253 25502 1146 1 2 . 1 1 89 89 ILE N N 89 119.556 119.556 120.676 -1.120 25502 1147 1 2 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.843 -0.191 25502 1148 1 2 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.610 1.277 25502 1149 1 2 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.669 1.270 25502 1150 1 2 . 1 1 89 89 ILE H H 89 8.302 8.302 7.838 0.464 25502 1151 1 2 . 1 1 90 90 LEU N N 90 116.951 116.951 120.117 -3.166 25502 1152 1 2 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.330 0.126 25502 1153 1 2 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.280 0.905 25502 1154 1 2 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.775 1.135 25502 1155 1 2 . 1 1 90 90 LEU H H 90 7.746 7.746 7.810 -0.064 25502 1156 1 2 . 1 1 91 91 LYS N N 91 118.722 118.722 121.129 -2.407 25502 1157 1 2 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.107 0.521 25502 1158 1 2 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.703 -1.388 25502 1159 1 2 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.689 0.861 25502 1160 1 2 . 1 1 91 91 LYS H H 91 8.057 8.057 7.918 0.139 25502 1161 1 2 . 1 1 92 92 HIS N N 92 122.221 122.221 120.296 1.925 25502 1162 1 2 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.328 0.014 25502 1163 1 2 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.906 -0.150 25502 1164 1 2 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.864 -1.969 25502 1165 1 2 . 1 1 92 92 HIS H H 92 10.706 10.706 8.365 2.341 25502 1166 1 2 . 1 1 93 93 THR N N 93 110.178 110.178 113.047 -2.869 25502 1167 1 2 . 1 1 93 93 THR HA H 93 4.004 4.004 4.417 -0.413 25502 1168 1 2 . 1 1 93 93 THR CA C 93 63.018 63.018 60.755 2.263 25502 1169 1 2 . 1 1 93 93 THR CB C 93 69.341 69.341 69.546 -0.205 25502 1170 1 2 . 1 1 93 93 THR H H 93 7.261 7.261 7.677 -0.416 25502 1171 1 2 . 1 1 94 94 GLY N N 94 106.990 106.990 109.022 -2.032 25502 1172 1 2 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.165 1.289 25502 1173 1 2 . 1 1 94 94 GLY H H 94 7.489 7.489 7.257 0.232 25502 1174 1 2 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.422 -0.618 25502 1175 1 2 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.663 -0.124 25502 1176 1 2 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.444 29.509 25502 1177 1 2 . 1 1 96 96 GLY N N 96 109.908 109.908 108.322 1.586 25502 1178 1 2 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.519 -0.690 25502 1179 1 2 . 1 1 96 96 GLY H H 96 9.271 9.271 8.792 0.479 25502 1180 1 2 . 1 1 97 97 ILE N N 97 121.176 121.176 119.938 1.238 25502 1181 1 2 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.286 -0.171 25502 1182 1 2 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.051 0.260 25502 1183 1 2 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.599 -0.841 25502 1184 1 2 . 1 1 97 97 ILE H H 97 6.765 6.765 7.217 -0.452 25502 1185 1 2 . 1 1 98 98 LEU N N 98 128.477 128.477 126.962 1.515 25502 1186 1 2 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.518 0.480 25502 1187 1 2 . 1 1 98 98 LEU CA C 98 53.233 53.233 52.724 0.509 25502 1188 1 2 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.799 -1.174 25502 1189 1 2 . 1 1 98 98 LEU H H 98 7.872 7.872 8.319 -0.447 25502 1190 1 2 . 1 1 99 99 SER N N 99 118.325 118.325 115.281 3.044 25502 1191 1 2 . 1 1 99 99 SER HA H 99 5.316 5.316 5.132 0.184 25502 1192 1 2 . 1 1 99 99 SER CA C 99 54.909 54.909 56.770 -1.861 25502 1193 1 2 . 1 1 99 99 SER CB C 99 65.380 65.380 65.918 -0.538 25502 1194 1 2 . 1 1 99 99 SER H H 99 8.285 8.285 7.406 0.879 25502 1195 1 2 . 1 1 100 100 MET N N 100 122.826 122.826 121.597 1.229 25502 1196 1 2 . 1 1 100 100 MET HA H 100 5.259 5.259 4.806 0.453 25502 1197 1 2 . 1 1 100 100 MET CA C 100 53.800 53.800 54.650 -0.850 25502 1198 1 2 . 1 1 100 100 MET CB C 100 30.960 30.960 32.773 -1.812 25502 1199 1 2 . 1 1 100 100 MET H H 100 8.544 8.544 8.392 0.152 25502 1200 1 2 . 1 1 101 101 ALA N N 101 125.971 125.971 128.376 -2.405 25502 1201 1 2 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.176 0.100 25502 1202 1 2 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.640 -0.142 25502 1203 1 2 . 1 1 101 101 ALA CB C 101 19.403 19.403 17.484 1.919 25502 1204 1 2 . 1 1 101 101 ALA H H 101 7.999 7.999 8.837 -0.838 25502 1205 1 2 . 1 1 102 102 ASN N N 102 113.207 113.207 118.262 -5.055 25502 1206 1 2 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.778 -0.202 25502 1207 1 2 . 1 1 102 102 ASN CA C 102 53.841 53.841 55.603 -1.762 25502 1208 1 2 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.585 0.794 25502 1209 1 2 . 1 1 102 102 ASN H H 102 8.097 8.097 7.699 0.398 25502 1210 1 2 . 1 1 103 103 ALA N N 103 123.056 123.056 119.627 3.429 25502 1211 1 2 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.663 0.122 25502 1212 1 2 . 1 1 103 103 ALA CA C 103 50.154 50.154 51.281 -1.127 25502 1213 1 2 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.234 -0.205 25502 1214 1 2 . 1 1 103 103 ALA H H 103 8.787 8.787 8.209 0.578 25502 1215 1 2 . 1 1 104 104 GLY N N 104 108.942 108.942 108.316 0.626 25502 1216 1 2 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.235 -1.826 25502 1217 1 2 . 1 1 104 104 GLY H H 104 8.111 8.111 8.404 -0.293 25502 1218 1 2 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.487 -0.160 25502 1219 1 2 . 1 1 105 105 PRO CA C 105 63.883 63.883 62.704 1.179 25502 1220 1 2 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.713 1.189 25502 1221 1 2 . 1 1 106 106 ASN N N 106 118.866 118.866 122.820 -3.954 25502 1222 1 2 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.320 -0.323 25502 1223 1 2 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.559 -0.456 25502 1224 1 2 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.547 -0.555 25502 1225 1 2 . 1 1 106 106 ASN H H 106 8.866 8.866 9.531 -0.665 25502 1226 1 2 . 1 1 107 107 THR N N 107 109.971 109.971 107.584 2.387 25502 1227 1 2 . 1 1 107 107 THR HA H 107 4.434 4.434 3.852 0.582 25502 1228 1 2 . 1 1 107 107 THR CA C 107 60.040 60.040 63.968 -3.928 25502 1229 1 2 . 1 1 107 107 THR CB C 107 39.196 39.196 67.486 -28.290 25502 1230 1 2 . 1 1 107 107 THR H H 107 10.165 10.165 8.773 1.392 25502 1231 1 2 . 1 1 108 108 ASN N N 108 120.251 120.251 120.053 0.198 25502 1232 1 2 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.927 -0.712 25502 1233 1 2 . 1 1 108 108 ASN CA C 108 55.448 55.448 52.603 2.845 25502 1234 1 2 . 1 1 108 108 ASN CB C 108 39.600 39.600 37.114 2.486 25502 1235 1 2 . 1 1 108 108 ASN H H 108 7.349 7.349 7.902 -0.553 25502 1236 1 2 . 1 1 109 109 GLY N N 109 110.632 110.632 110.226 0.406 25502 1237 1 2 . 1 1 109 109 GLY CA C 109 46.039 46.039 46.183 -0.144 25502 1238 1 2 . 1 1 109 109 GLY H H 109 9.188 9.188 7.885 1.303 25502 1239 1 2 . 1 1 110 110 SER N N 110 116.806 116.806 112.391 4.415 25502 1240 1 2 . 1 1 110 110 SER HA H 110 4.698 4.698 4.432 0.266 25502 1241 1 2 . 1 1 110 110 SER CA C 110 57.454 57.454 57.714 -0.260 25502 1242 1 2 . 1 1 110 110 SER CB C 110 65.964 65.964 62.864 3.100 25502 1243 1 2 . 1 1 110 110 SER H H 110 8.738 8.738 8.228 0.510 25502 1244 1 2 . 1 1 111 111 GLN N N 111 124.263 124.263 121.081 3.182 25502 1245 1 2 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.115 1.053 25502 1246 1 2 . 1 1 111 111 GLN CA C 111 57.494 57.494 57.518 -0.024 25502 1247 1 2 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.586 2.046 25502 1248 1 2 . 1 1 111 111 GLN H H 111 8.388 8.388 8.077 0.311 25502 1249 1 2 . 1 1 112 112 PHE N N 112 117.560 117.560 116.189 1.371 25502 1250 1 2 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.972 1.742 25502 1251 1 2 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.957 -3.510 25502 1252 1 2 . 1 1 112 112 PHE CB C 112 43.000 43.000 38.297 4.703 25502 1253 1 2 . 1 1 112 112 PHE H H 112 8.058 8.058 7.970 0.088 25502 1254 1 2 . 1 1 113 113 PHE N N 113 116.199 116.199 124.161 -7.962 25502 1255 1 2 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.996 0.674 25502 1256 1 2 . 1 1 113 113 PHE CA C 113 54.437 54.437 56.459 -2.022 25502 1257 1 2 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.564 1.053 25502 1258 1 2 . 1 1 113 113 PHE H H 113 9.795 9.795 7.050 2.745 25502 1259 1 2 . 1 1 114 114 ILE N N 114 118.391 118.391 124.924 -6.533 25502 1260 1 2 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.829 0.965 25502 1261 1 2 . 1 1 114 114 ILE CA C 114 60.060 60.060 61.128 -1.068 25502 1262 1 2 . 1 1 114 114 ILE CB C 114 40.162 40.162 39.548 0.614 25502 1263 1 2 . 1 1 114 114 ILE H H 114 9.098 9.098 8.632 0.466 25502 1264 1 2 . 1 1 115 115 CYS N N 115 125.271 125.271 128.575 -3.304 25502 1265 1 2 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.833 -0.081 25502 1266 1 2 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.113 2.559 25502 1267 1 2 . 1 1 115 115 CYS CB C 115 58.569 58.569 28.410 30.159 25502 1268 1 2 . 1 1 115 115 CYS H H 115 9.597 9.597 8.242 1.355 25502 1269 1 2 . 1 1 116 116 THR N N 116 115.478 115.478 119.042 -3.564 25502 1270 1 2 . 1 1 116 116 THR HA H 116 4.324 4.324 4.302 0.022 25502 1271 1 2 . 1 1 116 116 THR CA C 116 60.720 60.720 62.019 -1.299 25502 1272 1 2 . 1 1 116 116 THR CB C 116 66.502 66.502 68.598 -2.096 25502 1273 1 2 . 1 1 116 116 THR H H 116 8.947 8.947 8.249 0.698 25502 1274 1 2 . 1 1 117 117 ALA N N 117 121.996 121.996 121.565 0.431 25502 1275 1 2 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.364 -0.006 25502 1276 1 2 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.607 -1.096 25502 1277 1 2 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.058 1.550 25502 1278 1 2 . 1 1 117 117 ALA H H 117 7.602 7.602 7.157 0.445 25502 1279 1 2 . 1 1 118 118 LYS N N 118 119.550 119.550 122.445 -2.895 25502 1280 1 2 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.971 -0.192 25502 1281 1 2 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.316 0.348 25502 1282 1 2 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.409 1.090 25502 1283 1 2 . 1 1 118 118 LYS H H 118 8.690 8.690 8.506 0.184 25502 1284 1 2 . 1 1 119 119 THR N N 119 118.759 118.759 116.520 2.239 25502 1285 1 2 . 1 1 119 119 THR HA H 119 3.623 3.623 2.098 1.525 25502 1286 1 2 . 1 1 119 119 THR CA C 119 57.088 57.088 59.358 -2.270 25502 1287 1 2 . 1 1 119 119 THR H H 119 7.328 7.328 7.788 -0.460 25502 1288 1 2 . 1 1 120 120 GLU N N 120 124.407 124.407 122.436 1.971 25502 1289 1 2 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.994 0.126 25502 1290 1 2 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.530 0.542 25502 1291 1 2 . 1 1 120 120 GLU H H 120 9.092 9.092 8.180 0.912 25502 1292 1 2 . 1 1 121 121 TRP N N 121 117.495 117.495 118.995 -1.500 25502 1293 1 2 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.338 0.315 25502 1294 1 2 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.325 1.137 25502 1295 1 2 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.401 -1.651 25502 1296 1 2 . 1 1 121 121 TRP H H 121 7.251 7.251 7.534 -0.283 25502 1297 1 2 . 1 1 122 122 LEU N N 122 119.528 119.528 120.542 -1.014 25502 1298 1 2 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.999 0.252 25502 1299 1 2 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.643 -2.143 25502 1300 1 2 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.544 -2.645 25502 1301 1 2 . 1 1 122 122 LEU H H 122 7.019 7.019 6.935 0.084 25502 1302 1 2 . 1 1 123 123 ASP N N 123 121.832 121.832 117.546 4.286 25502 1303 1 2 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.317 0.848 25502 1304 1 2 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.205 0.651 25502 1305 1 2 . 1 1 123 123 ASP CB C 123 39.372 39.372 39.275 0.097 25502 1306 1 2 . 1 1 123 123 ASP H H 123 7.607 7.607 8.026 -0.419 25502 1307 1 2 . 1 1 124 124 GLY N N 124 110.836 110.836 106.152 4.684 25502 1308 1 2 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.837 -0.814 25502 1309 1 2 . 1 1 124 124 GLY H H 124 9.522 9.522 8.618 0.904 25502 1310 1 2 . 1 1 125 125 LYS N N 125 115.016 115.016 117.631 -2.615 25502 1311 1 2 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.051 0.058 25502 1312 1 2 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.740 -0.492 25502 1313 1 2 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.498 2.891 25502 1314 1 2 . 1 1 125 125 LYS H H 125 7.727 7.727 8.373 -0.646 25502 1315 1 2 . 1 1 126 126 HIS N N 126 119.223 119.223 114.606 4.617 25502 1316 1 2 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.921 -0.122 25502 1317 1 2 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.377 0.182 25502 1318 1 2 . 1 1 126 126 HIS H H 126 7.571 7.571 7.660 -0.089 25502 1319 1 2 . 1 1 127 127 VAL N N 127 124.730 124.730 121.827 2.903 25502 1320 1 2 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.274 -0.016 25502 1321 1 2 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.596 2.051 25502 1322 1 2 . 1 1 127 127 VAL CB C 127 33.416 33.416 32.524 0.892 25502 1323 1 2 . 1 1 127 127 VAL H H 127 8.474 8.474 8.774 -0.300 25502 1324 1 2 . 1 1 128 128 VAL N N 128 132.814 132.814 127.954 4.860 25502 1325 1 2 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.486 -0.336 25502 1326 1 2 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.321 -0.952 25502 1327 1 2 . 1 1 128 128 VAL H H 128 9.470 9.470 8.682 0.788 25502 1328 1 2 . 1 1 129 129 PHE N N 129 117.478 117.478 121.047 -3.569 25502 1329 1 2 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.933 0.320 25502 1330 1 2 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.277 -0.370 25502 1331 1 2 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.981 2.475 25502 1332 1 2 . 1 1 129 129 PHE H H 129 8.086 8.086 8.056 0.030 25502 1333 1 2 . 1 1 130 130 GLY N N 130 110.497 110.497 107.730 2.767 25502 1334 1 2 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.305 1.089 25502 1335 1 2 . 1 1 130 130 GLY H H 130 7.297 7.297 7.276 0.021 25502 1336 1 2 . 1 1 131 131 LYS N N 131 115.059 115.059 117.154 -2.095 25502 1337 1 2 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.582 0.625 25502 1338 1 2 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.823 -1.028 25502 1339 1 2 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.449 0.403 25502 1340 1 2 . 1 1 131 131 LYS H H 131 8.353 8.353 8.282 0.071 25502 1341 1 2 . 1 1 132 132 VAL N N 132 123.802 123.802 126.128 -2.326 25502 1342 1 2 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.815 0.073 25502 1343 1 2 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.828 -0.881 25502 1344 1 2 . 1 1 132 132 VAL CB C 132 32.547 32.547 31.181 1.365 25502 1345 1 2 . 1 1 132 132 VAL H H 132 9.015 9.015 8.482 0.533 25502 1346 1 2 . 1 1 133 133 LYS N N 133 131.324 131.324 128.032 3.292 25502 1347 1 2 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.170 0.254 25502 1348 1 2 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.137 -0.478 25502 1349 1 2 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.181 0.686 25502 1350 1 2 . 1 1 133 133 LYS H H 133 9.469 9.469 8.788 0.681 25502 1351 1 2 . 1 1 134 134 GLU N N 134 118.178 118.178 116.856 1.322 25502 1352 1 2 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.375 0.184 25502 1353 1 2 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.820 -0.672 25502 1354 1 2 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.365 0.371 25502 1355 1 2 . 1 1 134 134 GLU H H 134 7.543 7.543 7.634 -0.091 25502 1356 1 2 . 1 1 135 135 GLY N N 135 107.767 107.767 110.330 -2.563 25502 1357 1 2 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.056 0.812 25502 1358 1 2 . 1 1 135 135 GLY H H 135 8.693 8.693 8.709 -0.016 25502 1359 1 2 . 1 1 136 136 MET N N 136 122.307 122.307 119.119 3.188 25502 1360 1 2 . 1 1 136 136 MET HA H 136 4.437 4.437 4.109 0.328 25502 1361 1 2 . 1 1 136 136 MET CA C 136 56.659 56.659 56.619 0.040 25502 1362 1 2 . 1 1 136 136 MET CB C 136 30.025 30.025 31.800 -1.775 25502 1363 1 2 . 1 1 136 136 MET H H 136 8.790 8.790 8.470 0.320 25502 1364 1 2 . 1 1 137 137 ASN N N 137 114.221 114.221 117.212 -2.991 25502 1365 1 2 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.431 0.019 25502 1366 1 2 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.779 0.147 25502 1367 1 2 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.390 -1.573 25502 1368 1 2 . 1 1 137 137 ASN H H 137 8.849 8.849 8.653 0.196 25502 1369 1 2 . 1 1 138 138 ILE N N 138 123.949 123.949 119.705 4.244 25502 1370 1 2 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.918 -0.168 25502 1371 1 2 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.478 -2.147 25502 1372 1 2 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.738 -2.398 25502 1373 1 2 . 1 1 138 138 ILE H H 138 7.642 7.642 7.681 -0.039 25502 1374 1 2 . 1 1 139 139 VAL N N 139 121.654 121.654 118.625 3.029 25502 1375 1 2 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.718 0.126 25502 1376 1 2 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.472 -0.441 25502 1377 1 2 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.881 0.095 25502 1378 1 2 . 1 1 139 139 VAL H H 139 7.244 7.244 7.698 -0.454 25502 1379 1 2 . 1 1 140 140 GLU N N 140 117.078 117.078 118.518 -1.440 25502 1380 1 2 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.071 -0.028 25502 1381 1 2 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.904 0.258 25502 1382 1 2 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.323 0.096 25502 1383 1 2 . 1 1 140 140 GLU H H 140 8.291 8.291 7.578 0.713 25502 1384 1 2 . 1 1 141 141 ALA N N 141 120.813 120.813 122.537 -1.724 25502 1385 1 2 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.126 -0.065 25502 1386 1 2 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.830 -0.101 25502 1387 1 2 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.455 -0.439 25502 1388 1 2 . 1 1 141 141 ALA H H 141 7.495 7.495 7.526 -0.031 25502 1389 1 2 . 1 1 142 142 MET N N 142 117.301 117.301 117.690 -0.389 25502 1390 1 2 . 1 1 142 142 MET HA H 142 3.938 3.938 4.279 -0.341 25502 1391 1 2 . 1 1 142 142 MET CA C 142 59.610 59.610 59.300 0.310 25502 1392 1 2 . 1 1 142 142 MET CB C 142 33.678 33.678 32.361 1.317 25502 1393 1 2 . 1 1 142 142 MET H H 142 8.259 8.259 7.997 0.262 25502 1394 1 2 . 1 1 143 143 GLU N N 143 116.052 116.052 117.355 -1.303 25502 1395 1 2 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.068 -0.352 25502 1396 1 2 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.122 0.060 25502 1397 1 2 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.870 1.401 25502 1398 1 2 . 1 1 143 143 GLU H H 143 7.832 7.832 8.007 -0.175 25502 1399 1 2 . 1 1 144 144 ARG N N 144 114.357 114.357 119.139 -4.782 25502 1400 1 2 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.045 -0.123 25502 1401 1 2 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.910 -0.368 25502 1402 1 2 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.145 0.158 25502 1403 1 2 . 1 1 144 144 ARG H H 144 7.034 7.034 7.334 -0.300 25502 1404 1 2 . 1 1 145 145 PHE N N 145 115.146 115.146 116.410 -1.264 25502 1405 1 2 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.809 -0.016 25502 1406 1 2 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.952 0.662 25502 1407 1 2 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.307 -0.394 25502 1408 1 2 . 1 1 145 145 PHE H H 145 7.624 7.624 8.130 -0.506 25502 1409 1 2 . 1 1 146 146 GLY N N 146 104.498 104.498 107.534 -3.036 25502 1410 1 2 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.722 0.427 25502 1411 1 2 . 1 1 146 146 GLY H H 146 7.514 7.514 7.410 0.104 25502 1412 1 2 . 1 1 147 147 SER N N 147 109.815 109.815 115.450 -5.635 25502 1413 1 2 . 1 1 147 147 SER HA H 147 4.755 4.755 4.736 0.019 25502 1414 1 2 . 1 1 147 147 SER CA C 147 58.033 58.033 56.943 1.091 25502 1415 1 2 . 1 1 147 147 SER H H 147 8.190 8.190 8.316 -0.126 25502 1416 1 2 . 1 1 148 148 ARG N N 148 119.789 119.789 125.841 -6.052 25502 1417 1 2 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.242 -0.075 25502 1418 1 2 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.827 2.664 25502 1419 1 2 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.493 2.169 25502 1420 1 2 . 1 1 148 148 ARG H H 148 8.795 8.795 8.899 -0.104 25502 1421 1 2 . 1 1 149 149 ASN N N 149 111.378 111.378 117.738 -6.360 25502 1422 1 2 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.736 0.098 25502 1423 1 2 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.506 -1.386 25502 1424 1 2 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.982 -1.741 25502 1425 1 2 . 1 1 149 149 ASN H H 149 7.841 7.841 8.604 -0.763 25502 1426 1 2 . 1 1 150 150 GLY N N 150 109.893 109.893 109.560 0.333 25502 1427 1 2 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.627 -0.730 25502 1428 1 2 . 1 1 150 150 GLY H H 150 8.040 8.040 7.773 0.267 25502 1429 1 2 . 1 1 151 151 LYS N N 151 119.608 119.608 122.495 -2.887 25502 1430 1 2 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.488 -0.083 25502 1431 1 2 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.383 -0.338 25502 1432 1 2 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.184 -0.915 25502 1433 1 2 . 1 1 151 151 LYS H H 151 7.525 7.525 8.087 -0.562 25502 1434 1 2 . 1 1 152 152 THR N N 152 116.317 116.317 109.365 6.952 25502 1435 1 2 . 1 1 152 152 THR HA H 152 5.532 5.532 4.730 0.802 25502 1436 1 2 . 1 1 152 152 THR CA C 152 59.953 59.953 60.104 -0.151 25502 1437 1 2 . 1 1 152 152 THR CB C 152 71.108 71.108 72.095 -0.987 25502 1438 1 2 . 1 1 152 152 THR H H 152 8.823 8.823 8.333 0.490 25502 1439 1 2 . 1 1 153 153 SER N N 153 116.804 116.804 116.065 0.739 25502 1440 1 2 . 1 1 153 153 SER HA H 153 4.456 4.456 4.590 -0.134 25502 1441 1 2 . 1 1 153 153 SER CA C 153 58.712 58.712 60.162 -1.450 25502 1442 1 2 . 1 1 153 153 SER CB C 153 63.477 63.477 63.941 -0.464 25502 1443 1 2 . 1 1 153 153 SER H H 153 9.412 9.412 9.023 0.389 25502 1444 1 2 . 1 1 154 154 LYS N N 154 119.068 119.068 121.922 -2.854 25502 1445 1 2 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.385 0.147 25502 1446 1 2 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.893 -1.493 25502 1447 1 2 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.495 4.911 25502 1448 1 2 . 1 1 154 154 LYS H H 154 7.527 7.527 7.858 -0.331 25502 1449 1 2 . 1 1 155 155 LYS N N 155 121.541 121.541 121.073 0.468 25502 1450 1 2 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.566 -0.253 25502 1451 1 2 . 1 1 155 155 LYS CA C 155 56.147 56.147 54.953 1.194 25502 1452 1 2 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.657 -0.669 25502 1453 1 2 . 1 1 155 155 LYS H H 155 8.791 8.791 8.337 0.454 25502 1454 1 2 . 1 1 156 156 ILE N N 156 133.980 133.980 128.968 5.012 25502 1455 1 2 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.077 0.016 25502 1456 1 2 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.816 -1.552 25502 1457 1 2 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.176 -1.336 25502 1458 1 2 . 1 1 156 156 ILE H H 156 9.606 9.606 8.905 0.701 25502 1459 1 2 . 1 1 157 157 THR N N 157 116.977 116.977 121.286 -4.309 25502 1460 1 2 . 1 1 157 157 THR HA H 157 5.274 5.274 4.917 0.357 25502 1461 1 2 . 1 1 157 157 THR CA C 157 59.475 59.475 59.620 -0.145 25502 1462 1 2 . 1 1 157 157 THR CB C 157 72.475 72.475 71.909 0.566 25502 1463 1 2 . 1 1 157 157 THR H H 157 9.233 9.233 8.542 0.691 25502 1464 1 2 . 1 1 158 158 ILE N N 158 121.529 121.529 121.715 -0.186 25502 1465 1 2 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.948 -0.706 25502 1466 1 2 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.118 0.750 25502 1467 1 2 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.401 -1.611 25502 1468 1 2 . 1 1 158 158 ILE H H 158 8.580 8.580 8.580 0.000 25502 1469 1 2 . 1 1 159 159 ALA N N 159 132.313 132.313 130.539 1.774 25502 1470 1 2 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.145 -0.021 25502 1471 1 2 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.910 0.163 25502 1472 1 2 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.590 -0.577 25502 1473 1 2 . 1 1 159 159 ALA H H 159 8.873 8.873 8.698 0.175 25502 1474 1 2 . 1 1 160 160 ASP N N 160 111.257 111.257 116.223 -4.966 25502 1475 1 2 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.700 0.190 25502 1476 1 2 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.933 -1.294 25502 1477 1 2 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.241 0.346 25502 1478 1 2 . 1 1 160 160 ASP H H 160 8.066 8.066 7.783 0.283 25502 1479 1 2 . 1 1 161 161 CYS N N 161 115.837 115.837 117.254 -1.417 25502 1480 1 2 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.280 1.264 25502 1481 1 2 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.755 -0.607 25502 1482 1 2 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.165 -0.028 25502 1483 1 2 . 1 1 161 161 CYS H H 161 8.591 8.591 8.235 0.356 25502 1484 1 2 . 1 1 162 162 GLY N N 162 103.888 103.888 107.755 -3.867 25502 1485 1 2 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.869 0.480 25502 1486 1 2 . 1 1 162 162 GLY H H 162 6.844 6.844 6.715 0.129 25502 1487 1 2 . 1 1 163 163 GLN N N 163 120.718 120.718 120.611 0.107 25502 1488 1 2 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.638 0.431 25502 1489 1 2 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.835 -2.026 25502 1490 1 2 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.448 1.142 25502 1491 1 2 . 1 1 163 163 GLN H H 163 9.066 9.066 8.493 0.573 25502 1492 1 2 . 1 1 164 164 LEU N N 164 125.816 125.816 126.334 -0.518 25502 1493 1 2 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.453 0.154 25502 1494 1 2 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.018 -1.279 25502 1495 1 2 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.071 1.291 25502 1496 1 2 . 1 1 164 164 LEU H H 164 8.593 8.593 9.102 -0.509 25502 1497 1 3 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.361 -0.185 25502 1498 1 3 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.089 -0.597 25502 1499 1 3 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.436 -0.310 25502 1500 1 3 . 1 1 3 3 ASN N N 3 126.515 126.515 125.540 0.975 25502 1501 1 3 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.126 0.011 25502 1502 1 3 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.296 -0.288 25502 1503 1 3 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.573 -1.774 25502 1504 1 3 . 1 1 3 3 ASN H H 3 8.600 8.600 8.375 0.225 25502 1505 1 3 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.412 0.341 25502 1506 1 3 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.815 -0.146 25502 1507 1 3 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.557 0.581 25502 1508 1 3 . 1 1 5 5 THR N N 5 114.826 114.826 116.223 -1.397 25502 1509 1 3 . 1 1 5 5 THR HA H 5 5.716 5.716 4.898 0.818 25502 1510 1 3 . 1 1 5 5 THR CA C 5 60.698 60.698 61.571 -0.873 25502 1511 1 3 . 1 1 5 5 THR CB C 5 41.142 41.142 72.105 -30.963 25502 1512 1 3 . 1 1 5 5 THR H H 5 8.771 8.771 8.098 0.673 25502 1513 1 3 . 1 1 6 6 VAL N N 6 120.113 120.113 121.375 -1.262 25502 1514 1 3 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.420 -0.081 25502 1515 1 3 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.078 -0.281 25502 1516 1 3 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.289 0.846 25502 1517 1 3 . 1 1 6 6 VAL H H 6 8.741 8.741 8.185 0.556 25502 1518 1 3 . 1 1 7 7 PHE N N 7 118.968 118.968 121.102 -2.134 25502 1519 1 3 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.120 0.775 25502 1520 1 3 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.115 0.573 25502 1521 1 3 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.891 1.153 25502 1522 1 3 . 1 1 7 7 PHE H H 7 8.954 8.954 8.365 0.589 25502 1523 1 3 . 1 1 8 8 PHE N N 8 116.774 116.774 119.919 -3.145 25502 1524 1 3 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.757 0.560 25502 1525 1 3 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.453 -4.030 25502 1526 1 3 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.733 1.137 25502 1527 1 3 . 1 1 8 8 PHE H H 8 9.540 9.540 8.461 1.079 25502 1528 1 3 . 1 1 9 9 ASP N N 9 123.959 123.959 124.999 -1.040 25502 1529 1 3 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.667 0.866 25502 1530 1 3 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.399 -0.634 25502 1531 1 3 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.238 0.075 25502 1532 1 3 . 1 1 9 9 ASP H H 9 9.266 9.266 9.222 0.044 25502 1533 1 3 . 1 1 10 10 ILE N N 10 124.122 124.122 125.001 -0.879 25502 1534 1 3 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.615 0.557 25502 1535 1 3 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.057 -1.898 25502 1536 1 3 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.873 -0.171 25502 1537 1 3 . 1 1 10 10 ILE H H 10 9.030 9.030 7.842 1.188 25502 1538 1 3 . 1 1 11 11 ALA N N 11 132.244 132.244 129.952 2.292 25502 1539 1 3 . 1 1 11 11 ALA HA H 11 5.165 5.165 5.083 0.082 25502 1540 1 3 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.152 0.512 25502 1541 1 3 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.209 29.352 25502 1542 1 3 . 1 1 11 11 ALA H H 11 9.603 9.603 9.141 0.462 25502 1543 1 3 . 1 1 12 12 VAL N N 12 118.199 118.199 120.546 -2.347 25502 1544 1 3 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.685 -0.174 25502 1545 1 3 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.398 -0.972 25502 1546 1 3 . 1 1 12 12 VAL CB C 12 33.181 33.181 33.343 -0.162 25502 1547 1 3 . 1 1 12 12 VAL H H 12 8.943 8.943 8.865 0.078 25502 1548 1 3 . 1 1 13 13 ASP N N 13 130.748 130.748 129.192 1.556 25502 1549 1 3 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.278 0.042 25502 1550 1 3 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.353 0.472 25502 1551 1 3 . 1 1 13 13 ASP CB C 13 39.835 39.835 39.885 -0.050 25502 1552 1 3 . 1 1 13 13 ASP H H 13 9.846 9.846 8.975 0.871 25502 1553 1 3 . 1 1 14 14 GLY N N 14 101.493 101.493 104.132 -2.639 25502 1554 1 3 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.985 0.097 25502 1555 1 3 . 1 1 14 14 GLY H H 14 8.558 8.558 8.595 -0.037 25502 1556 1 3 . 1 1 15 15 GLU N N 15 123.014 123.014 123.925 -0.911 25502 1557 1 3 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.685 0.151 25502 1558 1 3 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.913 -0.160 25502 1559 1 3 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.174 0.062 25502 1560 1 3 . 1 1 15 15 GLU H H 15 8.046 8.046 7.649 0.397 25502 1561 1 3 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.597 -0.421 25502 1562 1 3 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.008 1.538 25502 1563 1 3 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.410 29.701 25502 1564 1 3 . 1 1 17 17 LEU N N 17 125.784 125.784 123.794 1.990 25502 1565 1 3 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.131 0.556 25502 1566 1 3 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.594 -1.246 25502 1567 1 3 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.584 1.573 25502 1568 1 3 . 1 1 17 17 LEU H H 17 9.189 9.189 8.721 0.468 25502 1569 1 3 . 1 1 18 18 GLY N N 18 102.200 102.200 103.825 -1.625 25502 1570 1 3 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.572 0.397 25502 1571 1 3 . 1 1 18 18 GLY H H 18 7.256 7.256 7.442 -0.186 25502 1572 1 3 . 1 1 19 19 ARG N N 19 120.995 120.995 122.886 -1.891 25502 1573 1 3 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.764 0.858 25502 1574 1 3 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.084 -0.069 25502 1575 1 3 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.832 0.508 25502 1576 1 3 . 1 1 19 19 ARG H H 19 8.320 8.320 8.355 -0.035 25502 1577 1 3 . 1 1 20 20 VAL N N 20 126.616 126.616 123.788 2.828 25502 1578 1 3 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.808 -0.205 25502 1579 1 3 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.442 -1.501 25502 1580 1 3 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.288 1.595 25502 1581 1 3 . 1 1 20 20 VAL H H 20 9.364 9.364 8.589 0.775 25502 1582 1 3 . 1 1 21 21 SER N N 21 120.061 120.061 120.196 -0.135 25502 1583 1 3 . 1 1 21 21 SER HA H 21 5.515 5.515 5.093 0.422 25502 1584 1 3 . 1 1 21 21 SER CA C 21 55.317 55.317 55.633 -0.316 25502 1585 1 3 . 1 1 21 21 SER CB C 21 36.773 36.773 66.161 -29.388 25502 1586 1 3 . 1 1 21 21 SER H H 21 8.768 8.768 7.901 0.867 25502 1587 1 3 . 1 1 22 22 PHE N N 22 118.878 118.878 117.830 1.048 25502 1588 1 3 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.157 0.080 25502 1589 1 3 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.846 -1.158 25502 1590 1 3 . 1 1 22 22 PHE CB C 22 42.574 42.574 42.897 -0.323 25502 1591 1 3 . 1 1 22 22 PHE H H 22 9.508 9.508 9.043 0.465 25502 1592 1 3 . 1 1 23 23 GLU N N 23 122.926 122.926 123.888 -0.962 25502 1593 1 3 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.508 0.241 25502 1594 1 3 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.221 -0.272 25502 1595 1 3 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.273 1.356 25502 1596 1 3 . 1 1 23 23 GLU H H 23 8.740 8.740 9.037 -0.297 25502 1597 1 3 . 1 1 24 24 LEU N N 24 122.262 122.262 128.326 -6.064 25502 1598 1 3 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.645 0.052 25502 1599 1 3 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.390 -2.839 25502 1600 1 3 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.648 0.472 25502 1601 1 3 . 1 1 24 24 LEU H H 24 8.185 8.185 7.935 0.250 25502 1602 1 3 . 1 1 25 25 PHE N N 25 124.423 124.423 124.682 -0.259 25502 1603 1 3 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.563 0.545 25502 1604 1 3 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.151 -2.861 25502 1605 1 3 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.487 -0.526 25502 1606 1 3 . 1 1 25 25 PHE H H 25 8.815 8.815 9.339 -0.524 25502 1607 1 3 . 1 1 26 26 ALA N N 26 128.683 128.683 124.428 4.255 25502 1608 1 3 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.254 -0.483 25502 1609 1 3 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.627 -0.341 25502 1610 1 3 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.511 0.114 25502 1611 1 3 . 1 1 26 26 ALA H H 26 8.433 8.433 7.797 0.636 25502 1612 1 3 . 1 1 27 27 ASP N N 27 114.069 114.069 117.232 -3.163 25502 1613 1 3 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.517 -0.274 25502 1614 1 3 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.520 -1.192 25502 1615 1 3 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.885 -2.030 25502 1616 1 3 . 1 1 27 27 ASP H H 27 9.052 9.052 8.515 0.537 25502 1617 1 3 . 1 1 28 28 LYS N N 28 117.763 117.763 116.967 0.796 25502 1618 1 3 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.496 0.075 25502 1619 1 3 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.837 -0.605 25502 1620 1 3 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.716 1.206 25502 1621 1 3 . 1 1 28 28 LYS H H 28 7.545 7.545 7.968 -0.423 25502 1622 1 3 . 1 1 29 29 VAL N N 29 114.212 114.212 115.823 -1.611 25502 1623 1 3 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.956 -0.505 25502 1624 1 3 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.382 -0.293 25502 1625 1 3 . 1 1 29 29 VAL CB C 29 31.745 31.745 30.661 1.084 25502 1626 1 3 . 1 1 29 29 VAL H H 29 8.368 8.368 8.282 0.086 25502 1627 1 3 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.424 -0.029 25502 1628 1 3 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.639 0.444 25502 1629 1 3 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.837 -0.533 25502 1630 1 3 . 1 1 31 31 LYS N N 31 123.500 123.500 117.815 5.685 25502 1631 1 3 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.075 -0.068 25502 1632 1 3 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.603 1.753 25502 1633 1 3 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.594 0.685 25502 1634 1 3 . 1 1 31 31 LYS H H 31 10.663 10.663 7.789 2.874 25502 1635 1 3 . 1 1 32 32 THR N N 32 123.707 123.707 113.948 9.759 25502 1636 1 3 . 1 1 32 32 THR HA H 32 3.988 3.988 3.688 0.300 25502 1637 1 3 . 1 1 32 32 THR CA C 32 37.678 37.678 65.402 -27.724 25502 1638 1 3 . 1 1 32 32 THR CB C 32 38.883 38.883 68.436 -29.553 25502 1639 1 3 . 1 1 32 32 THR H H 32 10.283 10.283 7.261 3.022 25502 1640 1 3 . 1 1 33 33 ALA N N 33 125.366 125.366 124.781 0.585 25502 1641 1 3 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.361 -0.324 25502 1642 1 3 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.452 0.415 25502 1643 1 3 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.338 -0.103 25502 1644 1 3 . 1 1 33 33 ALA H H 33 9.281 9.281 8.407 0.874 25502 1645 1 3 . 1 1 34 34 GLU N N 34 117.040 117.040 118.047 -1.007 25502 1646 1 3 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.930 0.579 25502 1647 1 3 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.647 -1.760 25502 1648 1 3 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.455 28.448 25502 1649 1 3 . 1 1 34 34 GLU H H 34 8.027 8.027 8.467 -0.440 25502 1650 1 3 . 1 1 35 35 ASN N N 35 115.398 115.398 118.344 -2.946 25502 1651 1 3 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.450 -0.396 25502 1652 1 3 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.278 0.353 25502 1653 1 3 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.509 0.956 25502 1654 1 3 . 1 1 35 35 ASN H H 35 7.139 7.139 7.490 -0.351 25502 1655 1 3 . 1 1 36 36 PHE N N 36 117.607 117.607 120.358 -2.751 25502 1656 1 3 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.377 -0.268 25502 1657 1 3 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.656 0.735 25502 1658 1 3 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.223 0.790 25502 1659 1 3 . 1 1 36 36 PHE H H 36 7.012 7.012 7.801 -0.789 25502 1660 1 3 . 1 1 37 37 ARG N N 37 120.804 120.804 120.165 0.639 25502 1661 1 3 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.068 -0.436 25502 1662 1 3 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.231 1.150 25502 1663 1 3 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.506 -0.646 25502 1664 1 3 . 1 1 37 37 ARG H H 37 8.935 8.935 8.677 0.258 25502 1665 1 3 . 1 1 38 38 ALA N N 38 118.869 118.869 123.019 -4.150 25502 1666 1 3 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.050 0.019 25502 1667 1 3 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.047 -0.707 25502 1668 1 3 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.197 0.038 25502 1669 1 3 . 1 1 38 38 ALA H H 38 8.687 8.687 8.289 0.398 25502 1670 1 3 . 1 1 39 39 LEU N N 39 120.488 120.488 118.178 2.310 25502 1671 1 3 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.969 -0.225 25502 1672 1 3 . 1 1 39 39 LEU CA C 39 57.115 57.115 56.938 0.177 25502 1673 1 3 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.039 -1.013 25502 1674 1 3 . 1 1 39 39 LEU H H 39 8.173 8.173 7.790 0.383 25502 1675 1 3 . 1 1 40 40 SER N N 40 118.952 118.952 114.510 4.442 25502 1676 1 3 . 1 1 40 40 SER HA H 40 4.444 4.444 3.809 0.635 25502 1677 1 3 . 1 1 40 40 SER CA C 40 62.334 62.334 61.507 0.827 25502 1678 1 3 . 1 1 40 40 SER CB C 40 62.884 62.884 62.826 0.058 25502 1679 1 3 . 1 1 40 40 SER H H 40 7.900 7.900 7.630 0.270 25502 1680 1 3 . 1 1 41 41 THR N N 41 108.208 108.208 110.562 -2.354 25502 1681 1 3 . 1 1 41 41 THR HA H 41 4.288 4.288 4.018 0.270 25502 1682 1 3 . 1 1 41 41 THR CA C 41 62.810 62.810 64.284 -1.474 25502 1683 1 3 . 1 1 41 41 THR CB C 41 69.221 69.221 69.201 0.020 25502 1684 1 3 . 1 1 41 41 THR H H 41 7.974 7.974 8.281 -0.307 25502 1685 1 3 . 1 1 42 42 GLY N N 42 108.122 108.122 109.417 -1.295 25502 1686 1 3 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.757 0.000 25502 1687 1 3 . 1 1 42 42 GLY H H 42 7.582 7.582 7.819 -0.237 25502 1688 1 3 . 1 1 43 43 GLU N N 43 118.454 118.454 122.155 -3.701 25502 1689 1 3 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.950 0.170 25502 1690 1 3 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.528 -0.171 25502 1691 1 3 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.092 0.850 25502 1692 1 3 . 1 1 43 43 GLU H H 43 8.009 8.009 7.808 0.201 25502 1693 1 3 . 1 1 44 44 LYS N N 44 118.055 118.055 118.817 -0.762 25502 1694 1 3 . 1 1 44 44 LYS HA H 44 4.281 4.281 4.041 0.240 25502 1695 1 3 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.036 -2.916 25502 1696 1 3 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.559 -2.263 25502 1697 1 3 . 1 1 44 44 LYS H H 44 9.102 9.102 7.878 1.224 25502 1698 1 3 . 1 1 45 45 GLY N N 45 105.305 105.305 105.295 0.010 25502 1699 1 3 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.133 -0.602 25502 1700 1 3 . 1 1 45 45 GLY H H 45 7.939 7.939 8.247 -0.308 25502 1701 1 3 . 1 1 46 46 PHE N N 46 113.461 113.461 116.377 -2.916 25502 1702 1 3 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.984 -0.360 25502 1703 1 3 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.659 -1.778 25502 1704 1 3 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.303 0.165 25502 1705 1 3 . 1 1 46 46 PHE H H 46 6.413 6.413 7.626 -1.213 25502 1706 1 3 . 1 1 47 47 GLY N N 47 104.416 104.416 106.234 -1.818 25502 1707 1 3 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.574 0.884 25502 1708 1 3 . 1 1 47 47 GLY H H 47 7.686 7.686 8.345 -0.659 25502 1709 1 3 . 1 1 48 48 TYR N N 48 113.530 113.530 116.647 -3.117 25502 1710 1 3 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.095 0.113 25502 1711 1 3 . 1 1 48 48 TYR CA C 48 57.039 57.039 56.187 0.852 25502 1712 1 3 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.139 -0.720 25502 1713 1 3 . 1 1 48 48 TYR H H 48 6.887 6.887 7.892 -1.005 25502 1714 1 3 . 1 1 49 49 LYS N N 49 124.631 124.631 121.072 3.559 25502 1715 1 3 . 1 1 49 49 LYS HA H 49 3.595 3.595 3.629 -0.034 25502 1716 1 3 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.944 2.938 25502 1717 1 3 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.240 -1.072 25502 1718 1 3 . 1 1 49 49 LYS H H 49 8.474 8.474 7.256 1.218 25502 1719 1 3 . 1 1 50 50 GLY N N 50 117.591 117.591 112.609 4.982 25502 1720 1 3 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.497 -0.456 25502 1721 1 3 . 1 1 50 50 GLY H H 50 9.482 9.482 8.743 0.739 25502 1722 1 3 . 1 1 51 51 SER N N 51 116.156 116.156 115.387 0.769 25502 1723 1 3 . 1 1 51 51 SER HA H 51 4.658 4.658 4.592 0.066 25502 1724 1 3 . 1 1 51 51 SER CA C 51 58.682 58.682 58.083 0.599 25502 1725 1 3 . 1 1 51 51 SER CB C 51 64.607 64.607 64.766 -0.159 25502 1726 1 3 . 1 1 51 51 SER H H 51 8.397 8.397 7.998 0.399 25502 1727 1 3 . 1 1 52 52 CYS N N 52 114.800 114.800 116.118 -1.318 25502 1728 1 3 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.420 0.475 25502 1729 1 3 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.271 -0.306 25502 1730 1 3 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.659 1.060 25502 1731 1 3 . 1 1 52 52 CYS H H 52 9.858 9.858 8.111 1.747 25502 1732 1 3 . 1 1 53 53 PHE N N 53 122.839 122.839 124.783 -1.944 25502 1733 1 3 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.408 0.445 25502 1734 1 3 . 1 1 53 53 PHE CA C 53 58.083 58.083 58.479 -0.396 25502 1735 1 3 . 1 1 53 53 PHE CB C 53 38.728 38.728 39.651 -0.923 25502 1736 1 3 . 1 1 53 53 PHE H H 53 8.702 8.702 9.018 -0.316 25502 1737 1 3 . 1 1 54 54 HIS N N 54 119.944 119.944 121.838 -1.894 25502 1738 1 3 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.862 -0.156 25502 1739 1 3 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.536 1.449 25502 1740 1 3 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.247 1.097 25502 1741 1 3 . 1 1 54 54 HIS H H 54 7.623 7.623 8.514 -0.891 25502 1742 1 3 . 1 1 55 55 ARG N N 55 122.758 122.758 120.093 2.665 25502 1743 1 3 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.837 0.262 25502 1744 1 3 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.445 -1.742 25502 1745 1 3 . 1 1 55 55 ARG CB C 55 33.771 33.771 31.020 2.751 25502 1746 1 3 . 1 1 55 55 ARG H H 55 7.031 7.031 7.794 -0.763 25502 1747 1 3 . 1 1 56 56 ILE N N 56 126.170 126.170 124.620 1.550 25502 1748 1 3 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.418 0.171 25502 1749 1 3 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.782 0.669 25502 1750 1 3 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.688 -0.056 25502 1751 1 3 . 1 1 56 56 ILE H H 56 9.166 9.166 8.787 0.379 25502 1752 1 3 . 1 1 57 57 ILE N N 57 127.731 127.731 126.318 1.413 25502 1753 1 3 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.944 0.253 25502 1754 1 3 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.476 0.138 25502 1755 1 3 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.912 0.103 25502 1756 1 3 . 1 1 57 57 ILE H H 57 8.718 8.718 8.770 -0.052 25502 1757 1 3 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.536 -0.212 25502 1758 1 3 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.196 -0.247 25502 1759 1 3 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.124 1.787 25502 1760 1 3 . 1 1 59 59 GLY N N 59 113.877 113.877 109.581 4.296 25502 1761 1 3 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.578 -0.400 25502 1762 1 3 . 1 1 59 59 GLY H H 59 9.679 9.679 8.087 1.592 25502 1763 1 3 . 1 1 60 60 PHE N N 60 118.955 118.955 120.625 -1.670 25502 1764 1 3 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.892 0.201 25502 1765 1 3 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.605 -1.860 25502 1766 1 3 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.424 -2.731 25502 1767 1 3 . 1 1 60 60 PHE H H 60 8.095 8.095 7.863 0.232 25502 1768 1 3 . 1 1 61 61 MET N N 61 110.963 110.963 111.039 -0.076 25502 1769 1 3 . 1 1 61 61 MET HA H 61 5.311 5.311 4.978 0.333 25502 1770 1 3 . 1 1 61 61 MET CA C 61 54.802 54.802 55.488 -0.686 25502 1771 1 3 . 1 1 61 61 MET CB C 61 34.892 34.892 33.848 1.044 25502 1772 1 3 . 1 1 61 61 MET H H 61 8.088 8.088 7.995 0.093 25502 1773 1 3 . 1 1 62 62 CYS N N 62 114.627 114.627 119.076 -4.449 25502 1774 1 3 . 1 1 62 62 CYS HA H 62 4.873 4.873 5.029 -0.156 25502 1775 1 3 . 1 1 62 62 CYS CA C 62 57.335 57.335 56.830 0.505 25502 1776 1 3 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.523 29.537 25502 1777 1 3 . 1 1 62 62 CYS H H 62 8.474 8.474 8.293 0.181 25502 1778 1 3 . 1 1 63 63 GLN N N 63 126.463 126.463 119.711 6.752 25502 1779 1 3 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.495 0.881 25502 1780 1 3 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.840 -1.316 25502 1781 1 3 . 1 1 63 63 GLN CB C 63 30.400 30.400 31.793 -1.393 25502 1782 1 3 . 1 1 63 63 GLN H H 63 9.651 9.651 8.380 1.272 25502 1783 1 3 . 1 1 64 64 GLY N N 64 110.531 110.531 108.023 2.508 25502 1784 1 3 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.130 -0.730 25502 1785 1 3 . 1 1 64 64 GLY H H 64 7.352 7.352 7.643 -0.291 25502 1786 1 3 . 1 1 65 65 GLY N N 65 105.572 105.572 108.114 -2.542 25502 1787 1 3 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.776 1.649 25502 1788 1 3 . 1 1 65 65 GLY H H 65 9.292 9.292 7.676 1.616 25502 1789 1 3 . 1 1 66 66 ASP N N 66 123.656 123.656 121.355 2.301 25502 1790 1 3 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.755 -0.465 25502 1791 1 3 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.421 -1.916 25502 1792 1 3 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.117 -3.415 25502 1793 1 3 . 1 1 66 66 ASP H H 66 9.910 9.910 8.177 1.733 25502 1794 1 3 . 1 1 67 67 PHE N N 67 115.914 115.914 120.208 -4.294 25502 1795 1 3 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.833 -0.236 25502 1796 1 3 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.213 -0.429 25502 1797 1 3 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.388 -0.031 25502 1798 1 3 . 1 1 67 67 PHE H H 67 6.624 6.624 7.910 -1.286 25502 1799 1 3 . 1 1 68 68 THR N N 68 108.853 108.853 118.102 -9.249 25502 1800 1 3 . 1 1 68 68 THR HA H 68 4.638 4.638 4.369 0.269 25502 1801 1 3 . 1 1 68 68 THR CA C 68 61.621 61.621 62.304 -0.683 25502 1802 1 3 . 1 1 68 68 THR CB C 68 68.789 68.789 67.108 1.681 25502 1803 1 3 . 1 1 68 68 THR H H 68 7.320 7.320 8.013 -0.693 25502 1804 1 3 . 1 1 69 69 ARG N N 69 121.780 121.780 121.893 -0.113 25502 1805 1 3 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.370 -0.008 25502 1806 1 3 . 1 1 69 69 ARG CA C 69 55.028 55.028 57.549 -2.521 25502 1807 1 3 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.604 30.929 25502 1808 1 3 . 1 1 69 69 ARG H H 69 8.655 8.655 7.755 0.900 25502 1809 1 3 . 1 1 70 70 HIS N N 70 112.009 112.009 120.603 -8.594 25502 1810 1 3 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.376 0.022 25502 1811 1 3 . 1 1 70 70 HIS CA C 70 57.135 57.135 58.410 -1.275 25502 1812 1 3 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.900 28.534 25502 1813 1 3 . 1 1 70 70 HIS H H 70 6.838 6.838 8.815 -1.977 25502 1814 1 3 . 1 1 71 71 ASN N N 71 112.340 112.340 115.210 -2.870 25502 1815 1 3 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.791 -0.196 25502 1816 1 3 . 1 1 71 71 ASN CA C 71 52.160 52.160 52.877 -0.717 25502 1817 1 3 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.992 -1.286 25502 1818 1 3 . 1 1 71 71 ASN H H 71 7.519 7.519 8.308 -0.789 25502 1819 1 3 . 1 1 72 72 GLY N N 72 110.239 110.239 110.531 -0.292 25502 1820 1 3 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.890 -1.317 25502 1821 1 3 . 1 1 72 72 GLY H H 72 9.619 9.619 7.780 1.839 25502 1822 1 3 . 1 1 73 73 THR N N 73 111.802 111.802 112.302 -0.500 25502 1823 1 3 . 1 1 73 73 THR HA H 73 4.487 4.487 3.916 0.571 25502 1824 1 3 . 1 1 73 73 THR CA C 73 62.070 62.070 62.340 -0.270 25502 1825 1 3 . 1 1 73 73 THR CB C 73 40.762 40.762 68.017 -27.255 25502 1826 1 3 . 1 1 73 73 THR H H 73 7.930 7.930 8.306 -0.376 25502 1827 1 3 . 1 1 74 74 GLY N N 74 113.668 113.668 108.334 5.334 25502 1828 1 3 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.699 0.209 25502 1829 1 3 . 1 1 74 74 GLY H H 74 8.669 8.669 7.985 0.684 25502 1830 1 3 . 1 1 75 75 GLY N N 75 108.813 108.813 108.179 0.634 25502 1831 1 3 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.621 -1.584 25502 1832 1 3 . 1 1 75 75 GLY H H 75 8.066 8.066 7.410 0.656 25502 1833 1 3 . 1 1 76 76 LYS N N 76 115.526 115.526 120.005 -4.479 25502 1834 1 3 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.360 0.225 25502 1835 1 3 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.721 0.987 25502 1836 1 3 . 1 1 76 76 LYS CB C 76 34.515 34.515 34.717 -0.202 25502 1837 1 3 . 1 1 76 76 LYS H H 76 6.981 6.981 7.684 -0.703 25502 1838 1 3 . 1 1 77 77 SER N N 77 114.105 114.105 115.525 -1.420 25502 1839 1 3 . 1 1 77 77 SER HA H 77 5.185 5.185 4.284 0.901 25502 1840 1 3 . 1 1 77 77 SER CA C 77 56.816 56.816 58.816 -2.000 25502 1841 1 3 . 1 1 77 77 SER CB C 77 38.963 38.963 63.713 -24.750 25502 1842 1 3 . 1 1 78 78 ILE N N 78 110.963 110.963 117.914 -6.951 25502 1843 1 3 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.011 0.159 25502 1844 1 3 . 1 1 78 78 ILE CA C 78 63.517 63.517 63.409 0.108 25502 1845 1 3 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.906 -0.598 25502 1846 1 3 . 1 1 78 78 ILE H H 78 8.557 8.557 8.574 -0.017 25502 1847 1 3 . 1 1 79 79 TYR N N 79 120.472 120.472 119.117 1.355 25502 1848 1 3 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.456 0.211 25502 1849 1 3 . 1 1 79 79 TYR CA C 79 56.147 56.147 59.733 -3.586 25502 1850 1 3 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.262 -0.537 25502 1851 1 3 . 1 1 79 79 TYR H H 79 8.007 8.007 8.375 -0.368 25502 1852 1 3 . 1 1 80 80 GLY N N 80 106.402 106.402 106.419 -0.017 25502 1853 1 3 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.484 -1.736 25502 1854 1 3 . 1 1 80 80 GLY H H 80 7.115 7.115 7.429 -0.314 25502 1855 1 3 . 1 1 81 81 GLU N N 81 122.838 122.838 120.486 2.352 25502 1856 1 3 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.215 -0.269 25502 1857 1 3 . 1 1 81 81 GLU CA C 81 60.138 60.138 57.948 2.190 25502 1858 1 3 . 1 1 81 81 GLU CB C 81 30.108 30.108 30.045 0.063 25502 1859 1 3 . 1 1 81 81 GLU H H 81 8.878 8.878 8.549 0.329 25502 1860 1 3 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.850 1.675 25502 1861 1 3 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.437 -1.662 25502 1862 1 3 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.518 2.793 25502 1863 1 3 . 1 1 82 82 LYS H H 82 7.799 7.799 7.475 0.324 25502 1864 1 3 . 1 1 83 83 PHE N N 83 116.432 116.432 117.082 -0.650 25502 1865 1 3 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.908 0.037 25502 1866 1 3 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.328 0.409 25502 1867 1 3 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.798 0.495 25502 1868 1 3 . 1 1 83 83 PHE H H 83 9.147 9.147 7.536 1.611 25502 1869 1 3 . 1 1 84 84 GLU N N 84 119.352 119.352 118.332 1.020 25502 1870 1 3 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.325 -0.523 25502 1871 1 3 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.513 0.684 25502 1872 1 3 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.391 -1.286 25502 1873 1 3 . 1 1 84 84 GLU H H 84 9.252 9.252 8.380 0.872 25502 1874 1 3 . 1 1 85 85 ASP N N 85 118.583 118.583 120.627 -2.044 25502 1875 1 3 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.465 -0.239 25502 1876 1 3 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.199 -1.225 25502 1877 1 3 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.909 -1.124 25502 1878 1 3 . 1 1 85 85 ASP H H 85 8.593 8.593 8.690 -0.097 25502 1879 1 3 . 1 1 86 86 GLU N N 86 131.488 131.488 124.103 7.385 25502 1880 1 3 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.270 -0.475 25502 1881 1 3 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.372 2.901 25502 1882 1 3 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.279 0.360 25502 1883 1 3 . 1 1 86 86 GLU H H 86 9.461 9.461 8.899 0.562 25502 1884 1 3 . 1 1 87 87 ASN N N 87 106.549 106.549 113.261 -6.712 25502 1885 1 3 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.936 0.194 25502 1886 1 3 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.220 0.369 25502 1887 1 3 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.430 -0.081 25502 1888 1 3 . 1 1 87 87 ASN H H 87 7.044 7.044 7.738 -0.694 25502 1889 1 3 . 1 1 88 88 PHE N N 88 112.731 112.731 116.868 -4.137 25502 1890 1 3 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.907 1.020 25502 1891 1 3 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.412 -0.724 25502 1892 1 3 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.678 0.142 25502 1893 1 3 . 1 1 88 88 PHE H H 88 8.319 8.319 7.947 0.372 25502 1894 1 3 . 1 1 89 89 ILE N N 89 119.556 119.556 121.316 -1.760 25502 1895 1 3 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.826 -0.174 25502 1896 1 3 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.912 0.975 25502 1897 1 3 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.728 1.210 25502 1898 1 3 . 1 1 89 89 ILE H H 89 8.302 8.302 7.903 0.399 25502 1899 1 3 . 1 1 90 90 LEU N N 90 116.951 116.951 119.799 -2.848 25502 1900 1 3 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.362 0.094 25502 1901 1 3 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.215 0.970 25502 1902 1 3 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.715 1.195 25502 1903 1 3 . 1 1 90 90 LEU H H 90 7.746 7.746 7.849 -0.103 25502 1904 1 3 . 1 1 91 91 LYS N N 91 118.722 118.722 121.491 -2.769 25502 1905 1 3 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.019 0.609 25502 1906 1 3 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.716 -1.401 25502 1907 1 3 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.582 0.968 25502 1908 1 3 . 1 1 91 91 LYS H H 91 8.057 8.057 7.925 0.132 25502 1909 1 3 . 1 1 92 92 HIS N N 92 122.221 122.221 119.695 2.526 25502 1910 1 3 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.334 0.008 25502 1911 1 3 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.033 0.723 25502 1912 1 3 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.488 -1.593 25502 1913 1 3 . 1 1 92 92 HIS H H 92 10.706 10.706 7.673 3.033 25502 1914 1 3 . 1 1 93 93 THR N N 93 110.178 110.178 112.986 -2.808 25502 1915 1 3 . 1 1 93 93 THR HA H 93 4.004 4.004 4.433 -0.429 25502 1916 1 3 . 1 1 93 93 THR CA C 93 63.018 63.018 60.949 2.069 25502 1917 1 3 . 1 1 93 93 THR CB C 93 69.341 69.341 69.462 -0.121 25502 1918 1 3 . 1 1 93 93 THR H H 93 7.261 7.261 7.742 -0.481 25502 1919 1 3 . 1 1 94 94 GLY N N 94 106.990 106.990 110.001 -3.011 25502 1920 1 3 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.505 0.949 25502 1921 1 3 . 1 1 94 94 GLY H H 94 7.489 7.489 7.638 -0.149 25502 1922 1 3 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.498 -0.694 25502 1923 1 3 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.707 -0.168 25502 1924 1 3 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.114 29.838 25502 1925 1 3 . 1 1 96 96 GLY N N 96 109.908 109.908 108.056 1.852 25502 1926 1 3 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.420 -0.591 25502 1927 1 3 . 1 1 96 96 GLY H H 96 9.271 9.271 8.826 0.445 25502 1928 1 3 . 1 1 97 97 ILE N N 97 121.176 121.176 120.605 0.571 25502 1929 1 3 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.502 -0.387 25502 1930 1 3 . 1 1 97 97 ILE CA C 97 59.311 59.311 58.908 0.403 25502 1931 1 3 . 1 1 97 97 ILE CB C 97 37.758 37.758 39.426 -1.668 25502 1932 1 3 . 1 1 97 97 ILE H H 97 6.765 6.765 7.420 -0.655 25502 1933 1 3 . 1 1 98 98 LEU N N 98 128.477 128.477 127.025 1.452 25502 1934 1 3 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.715 0.283 25502 1935 1 3 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.491 -0.258 25502 1936 1 3 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.026 -0.401 25502 1937 1 3 . 1 1 98 98 LEU H H 98 7.872 7.872 8.123 -0.251 25502 1938 1 3 . 1 1 99 99 SER N N 99 118.325 118.325 115.469 2.856 25502 1939 1 3 . 1 1 99 99 SER HA H 99 5.316 5.316 4.992 0.324 25502 1940 1 3 . 1 1 99 99 SER CA C 99 54.909 54.909 56.820 -1.911 25502 1941 1 3 . 1 1 99 99 SER CB C 99 65.380 65.380 65.367 0.013 25502 1942 1 3 . 1 1 99 99 SER H H 99 8.285 8.285 8.367 -0.082 25502 1943 1 3 . 1 1 100 100 MET N N 100 122.826 122.826 119.501 3.325 25502 1944 1 3 . 1 1 100 100 MET HA H 100 5.259 5.259 4.521 0.738 25502 1945 1 3 . 1 1 100 100 MET CA C 100 53.800 53.800 54.136 -0.336 25502 1946 1 3 . 1 1 100 100 MET CB C 100 30.960 30.960 35.970 -5.010 25502 1947 1 3 . 1 1 100 100 MET H H 100 8.544 8.544 8.203 0.341 25502 1948 1 3 . 1 1 101 101 ALA N N 101 125.971 125.971 124.565 1.406 25502 1949 1 3 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.384 -0.108 25502 1950 1 3 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.194 0.304 25502 1951 1 3 . 1 1 101 101 ALA CB C 101 19.403 19.403 19.374 0.029 25502 1952 1 3 . 1 1 101 101 ALA H H 101 7.999 7.999 7.501 0.498 25502 1953 1 3 . 1 1 102 102 ASN N N 102 113.207 113.207 119.812 -6.605 25502 1954 1 3 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.713 -0.137 25502 1955 1 3 . 1 1 102 102 ASN CA C 102 53.841 53.841 53.946 -0.105 25502 1956 1 3 . 1 1 102 102 ASN CB C 102 40.379 40.379 40.605 -0.226 25502 1957 1 3 . 1 1 102 102 ASN H H 102 8.097 8.097 8.844 -0.747 25502 1958 1 3 . 1 1 103 103 ALA N N 103 123.056 123.056 121.606 1.450 25502 1959 1 3 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.562 0.223 25502 1960 1 3 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.527 -2.373 25502 1961 1 3 . 1 1 103 103 ALA CB C 103 19.029 19.029 18.582 0.447 25502 1962 1 3 . 1 1 103 103 ALA H H 103 8.787 8.787 7.796 0.991 25502 1963 1 3 . 1 1 104 104 GLY N N 104 108.942 108.942 109.223 -0.281 25502 1964 1 3 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.541 -2.132 25502 1965 1 3 . 1 1 104 104 GLY H H 104 8.111 8.111 8.607 -0.496 25502 1966 1 3 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.476 -0.149 25502 1967 1 3 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.441 0.443 25502 1968 1 3 . 1 1 105 105 PRO CB C 105 31.902 31.902 31.214 0.688 25502 1969 1 3 . 1 1 106 106 ASN N N 106 118.866 118.866 120.550 -1.684 25502 1970 1 3 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.563 -0.566 25502 1971 1 3 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.509 -0.406 25502 1972 1 3 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.340 -0.348 25502 1973 1 3 . 1 1 106 106 ASN H H 106 8.866 8.866 8.489 0.377 25502 1974 1 3 . 1 1 107 107 THR N N 107 109.971 109.971 107.636 2.335 25502 1975 1 3 . 1 1 107 107 THR HA H 107 4.434 4.434 3.784 0.650 25502 1976 1 3 . 1 1 107 107 THR CA C 107 60.040 60.040 63.656 -3.616 25502 1977 1 3 . 1 1 107 107 THR CB C 107 39.196 39.196 67.642 -28.446 25502 1978 1 3 . 1 1 107 107 THR H H 107 10.165 10.165 8.452 1.713 25502 1979 1 3 . 1 1 108 108 ASN N N 108 120.251 120.251 118.928 1.323 25502 1980 1 3 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.770 -0.555 25502 1981 1 3 . 1 1 108 108 ASN CA C 108 55.448 55.448 54.140 1.308 25502 1982 1 3 . 1 1 108 108 ASN CB C 108 39.600 39.600 39.696 -0.096 25502 1983 1 3 . 1 1 108 108 ASN H H 108 7.349 7.349 7.491 -0.142 25502 1984 1 3 . 1 1 109 109 GLY N N 109 110.632 110.632 109.374 1.258 25502 1985 1 3 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.521 0.518 25502 1986 1 3 . 1 1 109 109 GLY H H 109 9.188 9.188 8.655 0.533 25502 1987 1 3 . 1 1 110 110 SER N N 110 116.806 116.806 114.052 2.754 25502 1988 1 3 . 1 1 110 110 SER HA H 110 4.698 4.698 4.601 0.097 25502 1989 1 3 . 1 1 110 110 SER CA C 110 57.454 57.454 58.728 -1.274 25502 1990 1 3 . 1 1 110 110 SER CB C 110 65.964 65.964 64.826 1.138 25502 1991 1 3 . 1 1 110 110 SER H H 110 8.738 8.738 8.230 0.508 25502 1992 1 3 . 1 1 111 111 GLN N N 111 124.263 124.263 121.461 2.802 25502 1993 1 3 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.340 0.828 25502 1994 1 3 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.302 3.192 25502 1995 1 3 . 1 1 111 111 GLN CB C 111 31.632 31.632 27.854 3.778 25502 1996 1 3 . 1 1 111 111 GLN H H 111 8.388 8.388 8.139 0.249 25502 1997 1 3 . 1 1 112 112 PHE N N 112 117.560 117.560 118.284 -0.724 25502 1998 1 3 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.860 1.854 25502 1999 1 3 . 1 1 112 112 PHE CA C 112 55.447 55.447 57.826 -2.379 25502 2000 1 3 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.405 3.595 25502 2001 1 3 . 1 1 112 112 PHE H H 112 8.058 8.058 7.269 0.789 25502 2002 1 3 . 1 1 113 113 PHE N N 113 116.199 116.199 112.970 3.229 25502 2003 1 3 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.662 1.008 25502 2004 1 3 . 1 1 113 113 PHE CA C 113 54.437 54.437 54.916 -0.478 25502 2005 1 3 . 1 1 113 113 PHE CB C 113 42.617 42.617 38.420 4.197 25502 2006 1 3 . 1 1 113 113 PHE H H 113 9.795 9.795 8.558 1.237 25502 2007 1 3 . 1 1 114 114 ILE N N 114 118.391 118.391 121.712 -3.321 25502 2008 1 3 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.966 0.828 25502 2009 1 3 . 1 1 114 114 ILE CA C 114 60.060 60.060 62.893 -2.833 25502 2010 1 3 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.727 2.435 25502 2011 1 3 . 1 1 114 114 ILE H H 114 9.098 9.098 8.923 0.175 25502 2012 1 3 . 1 1 115 115 CYS N N 115 125.271 125.271 129.900 -4.629 25502 2013 1 3 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.343 0.409 25502 2014 1 3 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.213 2.459 25502 2015 1 3 . 1 1 115 115 CYS CB C 115 58.569 58.569 27.285 31.284 25502 2016 1 3 . 1 1 115 115 CYS H H 115 9.597 9.597 8.394 1.203 25502 2017 1 3 . 1 1 116 116 THR N N 116 115.478 115.478 120.456 -4.978 25502 2018 1 3 . 1 1 116 116 THR HA H 116 4.324 4.324 4.334 -0.010 25502 2019 1 3 . 1 1 116 116 THR CA C 116 60.720 60.720 60.720 -0.000 25502 2020 1 3 . 1 1 116 116 THR CB C 116 66.502 66.502 67.801 -1.299 25502 2021 1 3 . 1 1 116 116 THR H H 116 8.947 8.947 8.151 0.796 25502 2022 1 3 . 1 1 117 117 ALA N N 117 121.996 121.996 122.018 -0.022 25502 2023 1 3 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.330 0.028 25502 2024 1 3 . 1 1 117 117 ALA CA C 117 50.511 50.511 52.044 -1.533 25502 2025 1 3 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.812 1.796 25502 2026 1 3 . 1 1 117 117 ALA H H 117 7.602 7.602 7.083 0.519 25502 2027 1 3 . 1 1 118 118 LYS N N 118 119.550 119.550 125.222 -5.672 25502 2028 1 3 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.890 -0.111 25502 2029 1 3 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.344 0.320 25502 2030 1 3 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.821 0.678 25502 2031 1 3 . 1 1 118 118 LYS H H 118 8.690 8.690 8.545 0.145 25502 2032 1 3 . 1 1 119 119 THR N N 119 118.759 118.759 119.140 -0.381 25502 2033 1 3 . 1 1 119 119 THR HA H 119 3.623 3.623 2.069 1.554 25502 2034 1 3 . 1 1 119 119 THR CA C 119 57.088 57.088 58.698 -1.610 25502 2035 1 3 . 1 1 119 119 THR H H 119 7.328 7.328 8.268 -0.940 25502 2036 1 3 . 1 1 120 120 GLU N N 120 124.407 124.407 123.335 1.072 25502 2037 1 3 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.888 0.233 25502 2038 1 3 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.188 0.884 25502 2039 1 3 . 1 1 120 120 GLU H H 120 9.092 9.092 7.248 1.844 25502 2040 1 3 . 1 1 121 121 TRP N N 121 117.495 117.495 115.870 1.625 25502 2041 1 3 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.430 0.223 25502 2042 1 3 . 1 1 121 121 TRP CA C 121 59.461 59.461 57.988 1.473 25502 2043 1 3 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.244 -1.494 25502 2044 1 3 . 1 1 121 121 TRP H H 121 7.251 7.251 7.255 -0.004 25502 2045 1 3 . 1 1 122 122 LEU N N 122 119.528 119.528 118.255 1.273 25502 2046 1 3 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.190 0.061 25502 2047 1 3 . 1 1 122 122 LEU CA C 122 54.500 54.500 55.347 -0.847 25502 2048 1 3 . 1 1 122 122 LEU CB C 122 38.899 38.899 42.165 -3.266 25502 2049 1 3 . 1 1 122 122 LEU H H 122 7.019 7.019 6.650 0.369 25502 2050 1 3 . 1 1 123 123 ASP N N 123 121.832 121.832 116.516 5.316 25502 2051 1 3 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.461 0.704 25502 2052 1 3 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.444 0.412 25502 2053 1 3 . 1 1 123 123 ASP CB C 123 39.372 39.372 41.193 -1.821 25502 2054 1 3 . 1 1 123 123 ASP H H 123 7.607 7.607 7.763 -0.156 25502 2055 1 3 . 1 1 124 124 GLY N N 124 110.836 110.836 107.469 3.367 25502 2056 1 3 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.659 -0.636 25502 2057 1 3 . 1 1 124 124 GLY H H 124 9.522 9.522 8.565 0.957 25502 2058 1 3 . 1 1 125 125 LYS N N 125 115.016 115.016 117.210 -2.194 25502 2059 1 3 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.144 -0.035 25502 2060 1 3 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.308 -0.060 25502 2061 1 3 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.889 2.500 25502 2062 1 3 . 1 1 125 125 LYS H H 125 7.727 7.727 8.102 -0.375 25502 2063 1 3 . 1 1 126 126 HIS N N 126 119.223 119.223 115.009 4.214 25502 2064 1 3 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.957 -0.158 25502 2065 1 3 . 1 1 126 126 HIS CA C 126 54.559 54.559 55.092 -0.533 25502 2066 1 3 . 1 1 126 126 HIS H H 126 7.571 7.571 7.810 -0.239 25502 2067 1 3 . 1 1 127 127 VAL N N 127 124.730 124.730 121.842 2.888 25502 2068 1 3 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.424 -0.166 25502 2069 1 3 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.452 2.195 25502 2070 1 3 . 1 1 127 127 VAL CB C 127 33.416 33.416 32.154 1.262 25502 2071 1 3 . 1 1 127 127 VAL H H 127 8.474 8.474 8.817 -0.343 25502 2072 1 3 . 1 1 128 128 VAL N N 128 132.814 132.814 127.707 5.107 25502 2073 1 3 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.564 -0.414 25502 2074 1 3 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.944 -1.575 25502 2075 1 3 . 1 1 128 128 VAL H H 128 9.470 9.470 8.700 0.770 25502 2076 1 3 . 1 1 129 129 PHE N N 129 117.478 117.478 121.655 -4.177 25502 2077 1 3 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.012 0.241 25502 2078 1 3 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.173 -0.266 25502 2079 1 3 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.713 2.743 25502 2080 1 3 . 1 1 129 129 PHE H H 129 8.086 8.086 8.076 0.010 25502 2081 1 3 . 1 1 130 130 GLY N N 130 110.497 110.497 107.999 2.498 25502 2082 1 3 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.267 1.127 25502 2083 1 3 . 1 1 130 130 GLY H H 130 7.297 7.297 7.497 -0.200 25502 2084 1 3 . 1 1 131 131 LYS N N 131 115.059 115.059 117.916 -2.857 25502 2085 1 3 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.674 0.533 25502 2086 1 3 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.349 -0.554 25502 2087 1 3 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.760 0.092 25502 2088 1 3 . 1 1 131 131 LYS H H 131 8.353 8.353 8.155 0.198 25502 2089 1 3 . 1 1 132 132 VAL N N 132 123.802 123.802 125.383 -1.581 25502 2090 1 3 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.863 0.025 25502 2091 1 3 . 1 1 132 132 VAL CA C 132 63.947 63.947 63.858 0.088 25502 2092 1 3 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.459 2.087 25502 2093 1 3 . 1 1 132 132 VAL H H 132 9.015 9.015 8.503 0.512 25502 2094 1 3 . 1 1 133 133 LYS N N 133 131.324 131.324 128.103 3.221 25502 2095 1 3 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.133 0.291 25502 2096 1 3 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.125 -0.466 25502 2097 1 3 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.547 0.320 25502 2098 1 3 . 1 1 133 133 LYS H H 133 9.469 9.469 8.779 0.690 25502 2099 1 3 . 1 1 134 134 GLU N N 134 118.178 118.178 114.891 3.287 25502 2100 1 3 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.402 0.157 25502 2101 1 3 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.661 -0.513 25502 2102 1 3 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.849 -0.113 25502 2103 1 3 . 1 1 134 134 GLU H H 134 7.543 7.543 7.644 -0.101 25502 2104 1 3 . 1 1 135 135 GLY N N 135 107.767 107.767 109.572 -1.805 25502 2105 1 3 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.696 0.171 25502 2106 1 3 . 1 1 135 135 GLY H H 135 8.693 8.693 8.769 -0.076 25502 2107 1 3 . 1 1 136 136 MET N N 136 122.307 122.307 119.819 2.488 25502 2108 1 3 . 1 1 136 136 MET HA H 136 4.437 4.437 4.021 0.416 25502 2109 1 3 . 1 1 136 136 MET CA C 136 56.659 56.659 56.770 -0.111 25502 2110 1 3 . 1 1 136 136 MET CB C 136 30.025 30.025 31.883 -1.858 25502 2111 1 3 . 1 1 136 136 MET H H 136 8.790 8.790 8.361 0.429 25502 2112 1 3 . 1 1 137 137 ASN N N 137 114.221 114.221 117.246 -3.025 25502 2113 1 3 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.419 0.031 25502 2114 1 3 . 1 1 137 137 ASN CA C 137 55.926 55.926 56.208 -0.282 25502 2115 1 3 . 1 1 137 137 ASN CB C 137 35.817 35.817 38.222 -2.405 25502 2116 1 3 . 1 1 137 137 ASN H H 137 8.849 8.849 8.405 0.444 25502 2117 1 3 . 1 1 138 138 ILE N N 138 123.949 123.949 118.519 5.430 25502 2118 1 3 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.887 -0.137 25502 2119 1 3 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.579 -2.248 25502 2120 1 3 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.897 -2.557 25502 2121 1 3 . 1 1 138 138 ILE H H 138 7.642 7.642 8.164 -0.522 25502 2122 1 3 . 1 1 139 139 VAL N N 139 121.654 121.654 118.299 3.355 25502 2123 1 3 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.721 0.123 25502 2124 1 3 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.756 -0.725 25502 2125 1 3 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.180 -0.204 25502 2126 1 3 . 1 1 139 139 VAL H H 139 7.244 7.244 7.775 -0.531 25502 2127 1 3 . 1 1 140 140 GLU N N 140 117.078 117.078 118.543 -1.465 25502 2128 1 3 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.050 -0.007 25502 2129 1 3 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.868 0.294 25502 2130 1 3 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.292 0.127 25502 2131 1 3 . 1 1 140 140 GLU H H 140 8.291 8.291 7.479 0.812 25502 2132 1 3 . 1 1 141 141 ALA N N 141 120.813 120.813 122.606 -1.793 25502 2133 1 3 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.108 -0.047 25502 2134 1 3 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.783 -0.054 25502 2135 1 3 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.401 -0.385 25502 2136 1 3 . 1 1 141 141 ALA H H 141 7.495 7.495 7.607 -0.112 25502 2137 1 3 . 1 1 142 142 MET N N 142 117.301 117.301 117.267 0.034 25502 2138 1 3 . 1 1 142 142 MET HA H 142 3.938 3.938 4.186 -0.248 25502 2139 1 3 . 1 1 142 142 MET CA C 142 59.610 59.610 59.651 -0.041 25502 2140 1 3 . 1 1 142 142 MET CB C 142 33.678 33.678 32.434 1.244 25502 2141 1 3 . 1 1 142 142 MET H H 142 8.259 8.259 7.908 0.351 25502 2142 1 3 . 1 1 143 143 GLU N N 143 116.052 116.052 117.077 -1.025 25502 2143 1 3 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.058 -0.342 25502 2144 1 3 . 1 1 143 143 GLU CA C 143 59.182 59.182 58.883 0.299 25502 2145 1 3 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.747 1.524 25502 2146 1 3 . 1 1 143 143 GLU H H 143 7.832 7.832 8.024 -0.192 25502 2147 1 3 . 1 1 144 144 ARG N N 144 114.357 114.357 119.210 -4.853 25502 2148 1 3 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.039 -0.117 25502 2149 1 3 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.883 -0.341 25502 2150 1 3 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.184 0.119 25502 2151 1 3 . 1 1 144 144 ARG H H 144 7.034 7.034 7.278 -0.244 25502 2152 1 3 . 1 1 145 145 PHE N N 145 115.146 115.146 116.978 -1.832 25502 2153 1 3 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.777 0.016 25502 2154 1 3 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.138 0.476 25502 2155 1 3 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.145 -0.232 25502 2156 1 3 . 1 1 145 145 PHE H H 145 7.624 7.624 8.039 -0.415 25502 2157 1 3 . 1 1 146 146 GLY N N 146 104.498 104.498 107.379 -2.881 25502 2158 1 3 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.696 0.453 25502 2159 1 3 . 1 1 146 146 GLY H H 146 7.514 7.514 7.382 0.132 25502 2160 1 3 . 1 1 147 147 SER N N 147 109.815 109.815 115.826 -6.011 25502 2161 1 3 . 1 1 147 147 SER HA H 147 4.755 4.755 4.713 0.042 25502 2162 1 3 . 1 1 147 147 SER CA C 147 58.033 58.033 57.086 0.947 25502 2163 1 3 . 1 1 147 147 SER H H 147 8.190 8.190 8.113 0.077 25502 2164 1 3 . 1 1 148 148 ARG N N 148 119.789 119.789 125.651 -5.862 25502 2165 1 3 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.189 -0.022 25502 2166 1 3 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.819 2.672 25502 2167 1 3 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.465 2.197 25502 2168 1 3 . 1 1 148 148 ARG H H 148 8.795 8.795 8.873 -0.078 25502 2169 1 3 . 1 1 149 149 ASN N N 149 111.378 111.378 118.169 -6.791 25502 2170 1 3 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.679 0.155 25502 2171 1 3 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.566 -1.446 25502 2172 1 3 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.863 -1.622 25502 2173 1 3 . 1 1 149 149 ASN H H 149 7.841 7.841 8.573 -0.732 25502 2174 1 3 . 1 1 150 150 GLY N N 150 109.893 109.893 109.876 0.017 25502 2175 1 3 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.277 -0.380 25502 2176 1 3 . 1 1 150 150 GLY H H 150 8.040 8.040 7.777 0.263 25502 2177 1 3 . 1 1 151 151 LYS N N 151 119.608 119.608 121.021 -1.413 25502 2178 1 3 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.280 0.125 25502 2179 1 3 . 1 1 151 151 LYS CA C 151 57.045 57.045 58.053 -1.008 25502 2180 1 3 . 1 1 151 151 LYS CB C 151 32.269 32.269 32.884 -0.615 25502 2181 1 3 . 1 1 151 151 LYS H H 151 7.525 7.525 8.103 -0.578 25502 2182 1 3 . 1 1 152 152 THR N N 152 116.317 116.317 109.552 6.765 25502 2183 1 3 . 1 1 152 152 THR HA H 152 5.532 5.532 4.618 0.914 25502 2184 1 3 . 1 1 152 152 THR CA C 152 59.953 59.953 60.614 -0.661 25502 2185 1 3 . 1 1 152 152 THR CB C 152 71.108 71.108 69.932 1.176 25502 2186 1 3 . 1 1 152 152 THR H H 152 8.823 8.823 7.988 0.835 25502 2187 1 3 . 1 1 153 153 SER N N 153 116.804 116.804 119.117 -2.313 25502 2188 1 3 . 1 1 153 153 SER HA H 153 4.456 4.456 4.586 -0.130 25502 2189 1 3 . 1 1 153 153 SER CA C 153 58.712 58.712 60.144 -1.432 25502 2190 1 3 . 1 1 153 153 SER CB C 153 63.477 63.477 63.906 -0.429 25502 2191 1 3 . 1 1 153 153 SER H H 153 9.412 9.412 8.618 0.794 25502 2192 1 3 . 1 1 154 154 LYS N N 154 119.068 119.068 122.363 -3.295 25502 2193 1 3 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.232 0.300 25502 2194 1 3 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.057 -1.657 25502 2195 1 3 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.324 5.082 25502 2196 1 3 . 1 1 154 154 LYS H H 154 7.527 7.527 8.166 -0.639 25502 2197 1 3 . 1 1 155 155 LYS N N 155 121.541 121.541 121.290 0.251 25502 2198 1 3 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.546 -0.233 25502 2199 1 3 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.015 1.132 25502 2200 1 3 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.664 -0.676 25502 2201 1 3 . 1 1 155 155 LYS H H 155 8.791 8.791 8.351 0.440 25502 2202 1 3 . 1 1 156 156 ILE N N 156 133.980 133.980 129.855 4.125 25502 2203 1 3 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.108 -0.015 25502 2204 1 3 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.717 -1.453 25502 2205 1 3 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.181 -1.341 25502 2206 1 3 . 1 1 156 156 ILE H H 156 9.606 9.606 8.874 0.732 25502 2207 1 3 . 1 1 157 157 THR N N 157 116.977 116.977 121.424 -4.447 25502 2208 1 3 . 1 1 157 157 THR HA H 157 5.274 5.274 5.378 -0.104 25502 2209 1 3 . 1 1 157 157 THR CA C 157 59.475 59.475 59.628 -0.153 25502 2210 1 3 . 1 1 157 157 THR CB C 157 72.475 72.475 71.965 0.510 25502 2211 1 3 . 1 1 157 157 THR H H 157 9.233 9.233 8.629 0.604 25502 2212 1 3 . 1 1 158 158 ILE N N 158 121.529 121.529 121.705 -0.176 25502 2213 1 3 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.011 -0.769 25502 2214 1 3 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.349 0.519 25502 2215 1 3 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.236 -1.446 25502 2216 1 3 . 1 1 158 158 ILE H H 158 8.580 8.580 8.065 0.515 25502 2217 1 3 . 1 1 159 159 ALA N N 159 132.313 132.313 131.929 0.384 25502 2218 1 3 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.206 -0.082 25502 2219 1 3 . 1 1 159 159 ALA CA C 159 54.073 54.073 54.025 0.048 25502 2220 1 3 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.478 -0.465 25502 2221 1 3 . 1 1 159 159 ALA H H 159 8.873 8.873 8.958 -0.085 25502 2222 1 3 . 1 1 160 160 ASP N N 160 111.257 111.257 116.173 -4.916 25502 2223 1 3 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.660 0.230 25502 2224 1 3 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.880 -1.242 25502 2225 1 3 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.288 0.299 25502 2226 1 3 . 1 1 160 160 ASP H H 160 8.066 8.066 7.841 0.225 25502 2227 1 3 . 1 1 161 161 CYS N N 161 115.837 115.837 117.475 -1.638 25502 2228 1 3 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.189 1.355 25502 2229 1 3 . 1 1 161 161 CYS CA C 161 55.148 55.148 54.727 0.421 25502 2230 1 3 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.481 0.656 25502 2231 1 3 . 1 1 161 161 CYS H H 161 8.591 8.591 8.221 0.370 25502 2232 1 3 . 1 1 162 162 GLY N N 162 103.888 103.888 107.253 -3.365 25502 2233 1 3 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.797 0.552 25502 2234 1 3 . 1 1 162 162 GLY H H 162 6.844 6.844 6.451 0.393 25502 2235 1 3 . 1 1 163 163 GLN N N 163 120.718 120.718 120.548 0.170 25502 2236 1 3 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.596 0.473 25502 2237 1 3 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.829 -2.020 25502 2238 1 3 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.411 1.179 25502 2239 1 3 . 1 1 163 163 GLN H H 163 9.066 9.066 8.459 0.607 25502 2240 1 3 . 1 1 164 164 LEU N N 164 125.816 125.816 126.379 -0.563 25502 2241 1 3 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.422 0.185 25502 2242 1 3 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.049 -1.310 25502 2243 1 3 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.019 1.343 25502 2244 1 3 . 1 1 164 164 LEU H H 164 8.593 8.593 9.086 -0.493 25502 2245 1 4 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.327 -0.151 25502 2246 1 4 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.110 -0.618 25502 2247 1 4 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.170 -0.044 25502 2248 1 4 . 1 1 3 3 ASN N N 3 126.515 126.515 124.563 1.952 25502 2249 1 4 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.140 -0.003 25502 2250 1 4 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.211 -0.203 25502 2251 1 4 . 1 1 3 3 ASN CB C 3 37.799 37.799 40.248 -2.449 25502 2252 1 4 . 1 1 3 3 ASN H H 3 8.600 8.600 8.434 0.166 25502 2253 1 4 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.459 0.294 25502 2254 1 4 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.704 -0.035 25502 2255 1 4 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.641 0.497 25502 2256 1 4 . 1 1 5 5 THR N N 5 114.826 114.826 117.064 -2.238 25502 2257 1 4 . 1 1 5 5 THR HA H 5 5.716 5.716 5.167 0.549 25502 2258 1 4 . 1 1 5 5 THR CA C 5 60.698 60.698 61.529 -0.831 25502 2259 1 4 . 1 1 5 5 THR CB C 5 41.142 41.142 71.662 -30.520 25502 2260 1 4 . 1 1 5 5 THR H H 5 8.771 8.771 8.077 0.694 25502 2261 1 4 . 1 1 6 6 VAL N N 6 120.113 120.113 122.411 -2.298 25502 2262 1 4 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.016 0.323 25502 2263 1 4 . 1 1 6 6 VAL CA C 6 58.797 58.797 58.545 0.252 25502 2264 1 4 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.167 0.968 25502 2265 1 4 . 1 1 6 6 VAL H H 6 8.741 8.741 8.542 0.199 25502 2266 1 4 . 1 1 7 7 PHE N N 7 118.968 118.968 115.116 3.852 25502 2267 1 4 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.289 0.606 25502 2268 1 4 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.763 -0.075 25502 2269 1 4 . 1 1 7 7 PHE CB C 7 43.043 43.043 42.609 0.434 25502 2270 1 4 . 1 1 7 7 PHE H H 7 8.954 8.954 7.438 1.516 25502 2271 1 4 . 1 1 8 8 PHE N N 8 116.774 116.774 117.336 -0.562 25502 2272 1 4 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.421 0.896 25502 2273 1 4 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.480 -4.057 25502 2274 1 4 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.479 1.391 25502 2275 1 4 . 1 1 8 8 PHE H H 8 9.540 9.540 8.075 1.465 25502 2276 1 4 . 1 1 9 9 ASP N N 9 123.959 123.959 124.995 -1.036 25502 2277 1 4 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.654 0.879 25502 2278 1 4 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.147 -0.382 25502 2279 1 4 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.307 0.006 25502 2280 1 4 . 1 1 9 9 ASP H H 9 9.266 9.266 8.478 0.788 25502 2281 1 4 . 1 1 10 10 ILE N N 10 124.122 124.122 126.030 -1.908 25502 2282 1 4 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.470 0.702 25502 2283 1 4 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.796 -2.637 25502 2284 1 4 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.141 0.562 25502 2285 1 4 . 1 1 10 10 ILE H H 10 9.030 9.030 8.405 0.625 25502 2286 1 4 . 1 1 11 11 ALA N N 11 132.244 132.244 130.769 1.475 25502 2287 1 4 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.917 0.248 25502 2288 1 4 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.422 0.242 25502 2289 1 4 . 1 1 11 11 ALA CB C 11 52.561 52.561 22.311 30.250 25502 2290 1 4 . 1 1 11 11 ALA H H 11 9.603 9.603 9.250 0.353 25502 2291 1 4 . 1 1 12 12 VAL N N 12 118.199 118.199 123.428 -5.229 25502 2292 1 4 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.778 -0.267 25502 2293 1 4 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.090 -0.664 25502 2294 1 4 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.491 0.690 25502 2295 1 4 . 1 1 12 12 VAL H H 12 8.943 8.943 8.851 0.092 25502 2296 1 4 . 1 1 13 13 ASP N N 13 130.748 130.748 128.012 2.736 25502 2297 1 4 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.304 0.016 25502 2298 1 4 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.515 0.311 25502 2299 1 4 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.078 -0.243 25502 2300 1 4 . 1 1 13 13 ASP H H 13 9.846 9.846 8.841 1.005 25502 2301 1 4 . 1 1 14 14 GLY N N 14 101.493 101.493 103.609 -2.116 25502 2302 1 4 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.990 0.092 25502 2303 1 4 . 1 1 14 14 GLY H H 14 8.558 8.558 8.685 -0.127 25502 2304 1 4 . 1 1 15 15 GLU N N 15 123.014 123.014 123.249 -0.235 25502 2305 1 4 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.723 0.113 25502 2306 1 4 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.701 0.052 25502 2307 1 4 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.296 -0.060 25502 2308 1 4 . 1 1 15 15 GLU H H 15 8.046 8.046 7.648 0.398 25502 2309 1 4 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.745 -0.569 25502 2310 1 4 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.906 1.640 25502 2311 1 4 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.537 29.574 25502 2312 1 4 . 1 1 17 17 LEU N N 17 125.784 125.784 123.748 2.036 25502 2313 1 4 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.094 0.593 25502 2314 1 4 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.724 -1.376 25502 2315 1 4 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.486 1.671 25502 2316 1 4 . 1 1 17 17 LEU H H 17 9.189 9.189 8.683 0.506 25502 2317 1 4 . 1 1 18 18 GLY N N 18 102.200 102.200 104.416 -2.216 25502 2318 1 4 . 1 1 18 18 GLY CA C 18 44.969 44.969 45.125 -0.156 25502 2319 1 4 . 1 1 18 18 GLY H H 18 7.256 7.256 7.483 -0.227 25502 2320 1 4 . 1 1 19 19 ARG N N 19 120.995 120.995 122.264 -1.269 25502 2321 1 4 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.872 0.750 25502 2322 1 4 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.221 -0.206 25502 2323 1 4 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.425 -0.085 25502 2324 1 4 . 1 1 19 19 ARG H H 19 8.320 8.320 8.316 0.004 25502 2325 1 4 . 1 1 20 20 VAL N N 20 126.616 126.616 123.716 2.900 25502 2326 1 4 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.660 -0.057 25502 2327 1 4 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.508 -1.567 25502 2328 1 4 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.866 2.017 25502 2329 1 4 . 1 1 20 20 VAL H H 20 9.364 9.364 8.715 0.649 25502 2330 1 4 . 1 1 21 21 SER N N 21 120.061 120.061 120.126 -0.065 25502 2331 1 4 . 1 1 21 21 SER HA H 21 5.515 5.515 5.257 0.258 25502 2332 1 4 . 1 1 21 21 SER CA C 21 55.317 55.317 56.311 -0.994 25502 2333 1 4 . 1 1 21 21 SER CB C 21 36.773 36.773 65.089 -28.316 25502 2334 1 4 . 1 1 21 21 SER H H 21 8.768 8.768 7.677 1.091 25502 2335 1 4 . 1 1 22 22 PHE N N 22 118.878 118.878 117.566 1.312 25502 2336 1 4 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.225 0.012 25502 2337 1 4 . 1 1 22 22 PHE CA C 22 55.688 55.688 57.291 -1.603 25502 2338 1 4 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.959 -1.385 25502 2339 1 4 . 1 1 22 22 PHE H H 22 9.508 9.508 9.255 0.253 25502 2340 1 4 . 1 1 23 23 GLU N N 23 122.926 122.926 123.068 -0.142 25502 2341 1 4 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.566 0.183 25502 2342 1 4 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.909 0.040 25502 2343 1 4 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.484 1.145 25502 2344 1 4 . 1 1 23 23 GLU H H 23 8.740 8.740 9.028 -0.288 25502 2345 1 4 . 1 1 24 24 LEU N N 24 122.262 122.262 127.945 -5.683 25502 2346 1 4 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.619 0.078 25502 2347 1 4 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.698 -3.147 25502 2348 1 4 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.631 0.489 25502 2349 1 4 . 1 1 24 24 LEU H H 24 8.185 8.185 7.976 0.209 25502 2350 1 4 . 1 1 25 25 PHE N N 25 124.423 124.423 123.681 0.742 25502 2351 1 4 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.712 0.396 25502 2352 1 4 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.106 -2.816 25502 2353 1 4 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.543 -0.582 25502 2354 1 4 . 1 1 25 25 PHE H H 25 8.815 8.815 9.385 -0.570 25502 2355 1 4 . 1 1 26 26 ALA N N 26 128.683 128.683 125.464 3.219 25502 2356 1 4 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.303 -0.532 25502 2357 1 4 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.449 -0.163 25502 2358 1 4 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.364 0.261 25502 2359 1 4 . 1 1 26 26 ALA H H 26 8.433 8.433 7.990 0.443 25502 2360 1 4 . 1 1 27 27 ASP N N 27 114.069 114.069 118.540 -4.471 25502 2361 1 4 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.540 -0.297 25502 2362 1 4 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.620 -1.292 25502 2363 1 4 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.068 -2.212 25502 2364 1 4 . 1 1 27 27 ASP H H 27 9.052 9.052 8.332 0.720 25502 2365 1 4 . 1 1 28 28 LYS N N 28 117.763 117.763 116.867 0.896 25502 2366 1 4 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.465 0.106 25502 2367 1 4 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.916 -0.684 25502 2368 1 4 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.679 1.243 25502 2369 1 4 . 1 1 28 28 LYS H H 28 7.545 7.545 7.964 -0.419 25502 2370 1 4 . 1 1 29 29 VAL N N 29 114.212 114.212 114.618 -0.406 25502 2371 1 4 . 1 1 29 29 VAL HA H 29 4.451 4.451 5.145 -0.694 25502 2372 1 4 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.593 -0.504 25502 2373 1 4 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.256 0.489 25502 2374 1 4 . 1 1 29 29 VAL H H 29 8.368 8.368 8.213 0.155 25502 2375 1 4 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.352 0.043 25502 2376 1 4 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.839 0.244 25502 2377 1 4 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.158 -0.854 25502 2378 1 4 . 1 1 31 31 LYS N N 31 123.500 123.500 118.507 4.993 25502 2379 1 4 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.114 -0.107 25502 2380 1 4 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.259 1.097 25502 2381 1 4 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.928 0.351 25502 2382 1 4 . 1 1 31 31 LYS H H 31 10.663 10.663 7.876 2.787 25502 2383 1 4 . 1 1 32 32 THR N N 32 123.707 123.707 114.497 9.210 25502 2384 1 4 . 1 1 32 32 THR HA H 32 3.988 3.988 4.050 -0.062 25502 2385 1 4 . 1 1 32 32 THR CA C 32 37.678 37.678 65.197 -27.519 25502 2386 1 4 . 1 1 32 32 THR CB C 32 38.883 38.883 68.648 -29.765 25502 2387 1 4 . 1 1 32 32 THR H H 32 10.283 10.283 7.555 2.728 25502 2388 1 4 . 1 1 33 33 ALA N N 33 125.366 125.366 124.525 0.841 25502 2389 1 4 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.422 -0.385 25502 2390 1 4 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.398 0.469 25502 2391 1 4 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.397 -0.162 25502 2392 1 4 . 1 1 33 33 ALA H H 33 9.281 9.281 8.445 0.836 25502 2393 1 4 . 1 1 34 34 GLU N N 34 117.040 117.040 118.089 -1.049 25502 2394 1 4 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.922 0.587 25502 2395 1 4 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.789 -1.903 25502 2396 1 4 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.515 28.389 25502 2397 1 4 . 1 1 34 34 GLU H H 34 8.027 8.027 8.599 -0.572 25502 2398 1 4 . 1 1 35 35 ASN N N 35 115.398 115.398 118.705 -3.307 25502 2399 1 4 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.473 -0.419 25502 2400 1 4 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.087 0.544 25502 2401 1 4 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.265 1.200 25502 2402 1 4 . 1 1 35 35 ASN H H 35 7.139 7.139 7.518 -0.379 25502 2403 1 4 . 1 1 36 36 PHE N N 36 117.607 117.607 121.122 -3.515 25502 2404 1 4 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.304 -0.195 25502 2405 1 4 . 1 1 36 36 PHE CA C 36 61.391 61.391 61.174 0.217 25502 2406 1 4 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.105 0.908 25502 2407 1 4 . 1 1 36 36 PHE H H 36 7.012 7.012 7.767 -0.755 25502 2408 1 4 . 1 1 37 37 ARG N N 37 120.804 120.804 119.492 1.312 25502 2409 1 4 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.033 -0.401 25502 2410 1 4 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.552 0.829 25502 2411 1 4 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.369 -0.509 25502 2412 1 4 . 1 1 37 37 ARG H H 37 8.935 8.935 8.882 0.053 25502 2413 1 4 . 1 1 38 38 ALA N N 38 118.869 118.869 122.920 -4.051 25502 2414 1 4 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.156 -0.087 25502 2415 1 4 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.093 -0.753 25502 2416 1 4 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.325 -0.090 25502 2417 1 4 . 1 1 38 38 ALA H H 38 8.687 8.687 8.301 0.386 25502 2418 1 4 . 1 1 39 39 LEU N N 39 120.488 120.488 118.326 2.162 25502 2419 1 4 . 1 1 39 39 LEU HA H 39 3.744 3.744 4.009 -0.265 25502 2420 1 4 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.201 -0.086 25502 2421 1 4 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.199 -1.173 25502 2422 1 4 . 1 1 39 39 LEU H H 39 8.173 8.173 8.222 -0.049 25502 2423 1 4 . 1 1 40 40 SER N N 40 118.952 118.952 114.672 4.280 25502 2424 1 4 . 1 1 40 40 SER HA H 40 4.444 4.444 3.970 0.474 25502 2425 1 4 . 1 1 40 40 SER CA C 40 62.334 62.334 61.991 0.343 25502 2426 1 4 . 1 1 40 40 SER CB C 40 62.884 62.884 63.045 -0.161 25502 2427 1 4 . 1 1 40 40 SER H H 40 7.900 7.900 7.990 -0.090 25502 2428 1 4 . 1 1 41 41 THR N N 41 108.208 108.208 111.636 -3.428 25502 2429 1 4 . 1 1 41 41 THR HA H 41 4.288 4.288 4.138 0.150 25502 2430 1 4 . 1 1 41 41 THR CA C 41 62.810 62.810 63.999 -1.189 25502 2431 1 4 . 1 1 41 41 THR CB C 41 69.221 69.221 69.564 -0.343 25502 2432 1 4 . 1 1 41 41 THR H H 41 7.974 7.974 8.195 -0.221 25502 2433 1 4 . 1 1 42 42 GLY N N 42 108.122 108.122 108.989 -0.867 25502 2434 1 4 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.015 0.742 25502 2435 1 4 . 1 1 42 42 GLY H H 42 7.582 7.582 7.893 -0.311 25502 2436 1 4 . 1 1 43 43 GLU N N 43 118.454 118.454 122.343 -3.889 25502 2437 1 4 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.941 0.179 25502 2438 1 4 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.511 -0.154 25502 2439 1 4 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.158 0.784 25502 2440 1 4 . 1 1 43 43 GLU H H 43 8.009 8.009 7.864 0.145 25502 2441 1 4 . 1 1 44 44 LYS N N 44 118.055 118.055 118.958 -0.903 25502 2442 1 4 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.974 0.307 25502 2443 1 4 . 1 1 44 44 LYS CA C 44 54.120 54.120 56.266 -2.146 25502 2444 1 4 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.181 -1.885 25502 2445 1 4 . 1 1 44 44 LYS H H 44 9.102 9.102 7.688 1.414 25502 2446 1 4 . 1 1 45 45 GLY N N 45 105.305 105.305 105.668 -0.363 25502 2447 1 4 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.342 -0.811 25502 2448 1 4 . 1 1 45 45 GLY H H 45 7.939 7.939 8.304 -0.365 25502 2449 1 4 . 1 1 46 46 PHE N N 46 113.461 113.461 115.420 -1.959 25502 2450 1 4 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.913 -0.289 25502 2451 1 4 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.883 -2.002 25502 2452 1 4 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.204 0.264 25502 2453 1 4 . 1 1 46 46 PHE H H 46 6.413 6.413 7.458 -1.045 25502 2454 1 4 . 1 1 47 47 GLY N N 47 104.416 104.416 106.975 -2.559 25502 2455 1 4 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.970 0.488 25502 2456 1 4 . 1 1 47 47 GLY H H 47 7.686 7.686 8.580 -0.894 25502 2457 1 4 . 1 1 48 48 TYR N N 48 113.530 113.530 119.997 -6.467 25502 2458 1 4 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.558 -0.350 25502 2459 1 4 . 1 1 48 48 TYR CA C 48 57.039 57.039 57.673 -0.634 25502 2460 1 4 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.731 -1.312 25502 2461 1 4 . 1 1 48 48 TYR H H 48 6.887 6.887 7.879 -0.992 25502 2462 1 4 . 1 1 49 49 LYS N N 49 124.631 124.631 125.601 -0.970 25502 2463 1 4 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.416 -0.821 25502 2464 1 4 . 1 1 49 49 LYS CA C 49 60.882 60.882 55.835 5.047 25502 2465 1 4 . 1 1 49 49 LYS CB C 49 31.168 31.168 31.263 -0.095 25502 2466 1 4 . 1 1 49 49 LYS H H 49 8.474 8.474 8.326 0.148 25502 2467 1 4 . 1 1 50 50 GLY N N 50 117.591 117.591 110.784 6.807 25502 2468 1 4 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.543 -0.502 25502 2469 1 4 . 1 1 50 50 GLY H H 50 9.482 9.482 8.188 1.294 25502 2470 1 4 . 1 1 51 51 SER N N 51 116.156 116.156 115.109 1.047 25502 2471 1 4 . 1 1 51 51 SER HA H 51 4.658 4.658 4.286 0.372 25502 2472 1 4 . 1 1 51 51 SER CA C 51 58.682 58.682 60.060 -1.378 25502 2473 1 4 . 1 1 51 51 SER CB C 51 64.607 64.607 63.230 1.377 25502 2474 1 4 . 1 1 51 51 SER H H 51 8.397 8.397 8.373 0.024 25502 2475 1 4 . 1 1 52 52 CYS N N 52 114.800 114.800 115.481 -0.681 25502 2476 1 4 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.750 1.145 25502 2477 1 4 . 1 1 52 52 CYS CA C 52 55.965 55.965 58.533 -2.568 25502 2478 1 4 . 1 1 52 52 CYS CB C 52 31.719 31.719 28.498 3.221 25502 2479 1 4 . 1 1 52 52 CYS H H 52 9.858 9.858 8.131 1.727 25502 2480 1 4 . 1 1 53 53 PHE N N 53 122.839 122.839 123.741 -0.902 25502 2481 1 4 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.664 0.189 25502 2482 1 4 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.729 0.354 25502 2483 1 4 . 1 1 53 53 PHE CB C 53 38.728 38.728 38.955 -0.227 25502 2484 1 4 . 1 1 53 53 PHE H H 53 8.702 8.702 8.885 -0.183 25502 2485 1 4 . 1 1 54 54 HIS N N 54 119.944 119.944 119.104 0.840 25502 2486 1 4 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.872 -0.166 25502 2487 1 4 . 1 1 54 54 HIS CA C 54 56.985 56.985 54.823 2.162 25502 2488 1 4 . 1 1 54 54 HIS CB C 54 31.344 31.344 29.947 1.397 25502 2489 1 4 . 1 1 54 54 HIS H H 54 7.623 7.623 8.141 -0.518 25502 2490 1 4 . 1 1 55 55 ARG N N 55 122.758 122.758 119.727 3.031 25502 2491 1 4 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.626 0.473 25502 2492 1 4 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.681 -1.978 25502 2493 1 4 . 1 1 55 55 ARG CB C 55 33.771 33.771 31.389 2.382 25502 2494 1 4 . 1 1 55 55 ARG H H 55 7.031 7.031 7.412 -0.381 25502 2495 1 4 . 1 1 56 56 ILE N N 56 126.170 126.170 126.126 0.044 25502 2496 1 4 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.401 0.188 25502 2497 1 4 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.636 0.815 25502 2498 1 4 . 1 1 56 56 ILE CB C 56 41.632 41.632 42.027 -0.395 25502 2499 1 4 . 1 1 56 56 ILE H H 56 9.166 9.166 8.419 0.747 25502 2500 1 4 . 1 1 57 57 ILE N N 57 127.731 127.731 126.223 1.508 25502 2501 1 4 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.718 0.479 25502 2502 1 4 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.590 0.024 25502 2503 1 4 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.740 0.275 25502 2504 1 4 . 1 1 57 57 ILE H H 57 8.718 8.718 8.743 -0.025 25502 2505 1 4 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.594 -0.270 25502 2506 1 4 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.176 -0.227 25502 2507 1 4 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.079 1.832 25502 2508 1 4 . 1 1 59 59 GLY N N 59 113.877 113.877 112.419 1.458 25502 2509 1 4 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.532 -0.354 25502 2510 1 4 . 1 1 59 59 GLY H H 59 9.679 9.679 8.336 1.343 25502 2511 1 4 . 1 1 60 60 PHE N N 60 118.955 118.955 120.828 -1.873 25502 2512 1 4 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.832 0.261 25502 2513 1 4 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.775 -2.030 25502 2514 1 4 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.903 -3.209 25502 2515 1 4 . 1 1 60 60 PHE H H 60 8.095 8.095 8.022 0.073 25502 2516 1 4 . 1 1 61 61 MET N N 61 110.963 110.963 110.919 0.044 25502 2517 1 4 . 1 1 61 61 MET HA H 61 5.311 5.311 5.003 0.308 25502 2518 1 4 . 1 1 61 61 MET CA C 61 54.802 54.802 55.452 -0.650 25502 2519 1 4 . 1 1 61 61 MET CB C 61 34.892 34.892 33.826 1.066 25502 2520 1 4 . 1 1 61 61 MET H H 61 8.088 8.088 7.915 0.173 25502 2521 1 4 . 1 1 62 62 CYS N N 62 114.627 114.627 119.401 -4.774 25502 2522 1 4 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.890 -0.017 25502 2523 1 4 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.313 0.022 25502 2524 1 4 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.335 29.725 25502 2525 1 4 . 1 1 62 62 CYS H H 62 8.474 8.474 8.328 0.146 25502 2526 1 4 . 1 1 63 63 GLN N N 63 126.463 126.463 119.759 6.704 25502 2527 1 4 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.505 0.871 25502 2528 1 4 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.813 -1.289 25502 2529 1 4 . 1 1 63 63 GLN CB C 63 30.400 30.400 31.904 -1.504 25502 2530 1 4 . 1 1 63 63 GLN H H 63 9.651 9.651 8.349 1.302 25502 2531 1 4 . 1 1 64 64 GLY N N 64 110.531 110.531 109.341 1.190 25502 2532 1 4 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.228 -0.828 25502 2533 1 4 . 1 1 64 64 GLY H H 64 7.352 7.352 7.523 -0.171 25502 2534 1 4 . 1 1 65 65 GLY N N 65 105.572 105.572 110.242 -4.670 25502 2535 1 4 . 1 1 65 65 GLY CA C 65 46.425 46.425 45.018 1.407 25502 2536 1 4 . 1 1 65 65 GLY H H 65 9.292 9.292 7.690 1.602 25502 2537 1 4 . 1 1 66 66 ASP N N 66 123.656 123.656 120.126 3.530 25502 2538 1 4 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.513 -0.223 25502 2539 1 4 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.249 -1.744 25502 2540 1 4 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.160 -3.458 25502 2541 1 4 . 1 1 66 66 ASP H H 66 9.910 9.910 7.583 2.327 25502 2542 1 4 . 1 1 67 67 PHE N N 67 115.914 115.914 122.127 -6.213 25502 2543 1 4 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.636 -0.039 25502 2544 1 4 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.026 -0.242 25502 2545 1 4 . 1 1 67 67 PHE CB C 67 39.357 39.357 37.455 1.902 25502 2546 1 4 . 1 1 67 67 PHE H H 67 6.624 6.624 7.740 -1.116 25502 2547 1 4 . 1 1 68 68 THR N N 68 108.853 108.853 113.313 -4.460 25502 2548 1 4 . 1 1 68 68 THR HA H 68 4.638 4.638 4.441 0.197 25502 2549 1 4 . 1 1 68 68 THR CA C 68 61.621 61.621 62.815 -1.194 25502 2550 1 4 . 1 1 68 68 THR CB C 68 68.789 68.789 70.645 -1.856 25502 2551 1 4 . 1 1 68 68 THR H H 68 7.320 7.320 7.930 -0.610 25502 2552 1 4 . 1 1 69 69 ARG N N 69 121.780 121.780 118.672 3.108 25502 2553 1 4 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.471 -0.109 25502 2554 1 4 . 1 1 69 69 ARG CA C 69 55.028 55.028 55.689 -0.661 25502 2555 1 4 . 1 1 69 69 ARG CB C 69 61.533 61.533 31.967 29.566 25502 2556 1 4 . 1 1 69 69 ARG H H 69 8.655 8.655 7.591 1.064 25502 2557 1 4 . 1 1 70 70 HIS N N 70 112.009 112.009 118.392 -6.383 25502 2558 1 4 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.810 -0.412 25502 2559 1 4 . 1 1 70 70 HIS CA C 70 57.135 57.135 55.937 1.198 25502 2560 1 4 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.529 28.905 25502 2561 1 4 . 1 1 70 70 HIS H H 70 6.838 6.838 8.726 -1.888 25502 2562 1 4 . 1 1 71 71 ASN N N 71 112.340 112.340 119.612 -7.272 25502 2563 1 4 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.801 -0.206 25502 2564 1 4 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.696 -1.536 25502 2565 1 4 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.538 -0.831 25502 2566 1 4 . 1 1 71 71 ASN H H 71 7.519 7.519 8.400 -0.881 25502 2567 1 4 . 1 1 72 72 GLY N N 72 110.239 110.239 108.695 1.544 25502 2568 1 4 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.261 -0.688 25502 2569 1 4 . 1 1 72 72 GLY H H 72 9.619 9.619 8.304 1.315 25502 2570 1 4 . 1 1 73 73 THR N N 73 111.802 111.802 115.214 -3.412 25502 2571 1 4 . 1 1 73 73 THR HA H 73 4.487 4.487 4.366 0.121 25502 2572 1 4 . 1 1 73 73 THR CA C 73 62.070 62.070 61.625 0.445 25502 2573 1 4 . 1 1 73 73 THR CB C 73 40.762 40.762 69.782 -29.020 25502 2574 1 4 . 1 1 73 73 THR H H 73 7.930 7.930 7.648 0.282 25502 2575 1 4 . 1 1 74 74 GLY N N 74 113.668 113.668 111.530 2.138 25502 2576 1 4 . 1 1 74 74 GLY CA C 74 44.908 44.908 45.475 -0.567 25502 2577 1 4 . 1 1 74 74 GLY H H 74 8.669 8.669 7.835 0.834 25502 2578 1 4 . 1 1 75 75 GLY N N 75 108.813 108.813 107.239 1.574 25502 2579 1 4 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.219 -1.182 25502 2580 1 4 . 1 1 75 75 GLY H H 75 8.066 8.066 7.698 0.368 25502 2581 1 4 . 1 1 76 76 LYS N N 76 115.526 115.526 120.559 -5.033 25502 2582 1 4 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.556 0.029 25502 2583 1 4 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.862 -0.155 25502 2584 1 4 . 1 1 76 76 LYS CB C 76 34.515 34.515 35.201 -0.686 25502 2585 1 4 . 1 1 76 76 LYS H H 76 6.981 6.981 8.046 -1.065 25502 2586 1 4 . 1 1 77 77 SER N N 77 114.105 114.105 118.797 -4.692 25502 2587 1 4 . 1 1 77 77 SER HA H 77 5.185 5.185 4.868 0.317 25502 2588 1 4 . 1 1 77 77 SER CA C 77 56.816 56.816 57.174 -0.358 25502 2589 1 4 . 1 1 77 77 SER CB C 77 38.963 38.963 61.944 -22.981 25502 2590 1 4 . 1 1 78 78 ILE N N 78 110.963 110.963 115.758 -4.795 25502 2591 1 4 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.750 0.420 25502 2592 1 4 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.573 0.944 25502 2593 1 4 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.080 1.228 25502 2594 1 4 . 1 1 78 78 ILE H H 78 8.557 8.557 7.630 0.927 25502 2595 1 4 . 1 1 79 79 TYR N N 79 120.472 120.472 118.702 1.770 25502 2596 1 4 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.556 0.111 25502 2597 1 4 . 1 1 79 79 TYR CA C 79 56.147 56.147 57.378 -1.231 25502 2598 1 4 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.148 -0.423 25502 2599 1 4 . 1 1 79 79 TYR H H 79 8.007 8.007 7.746 0.261 25502 2600 1 4 . 1 1 80 80 GLY N N 80 106.402 106.402 109.312 -2.910 25502 2601 1 4 . 1 1 80 80 GLY CA C 80 43.748 43.748 44.895 -1.147 25502 2602 1 4 . 1 1 80 80 GLY H H 80 7.115 7.115 7.859 -0.744 25502 2603 1 4 . 1 1 81 81 GLU N N 81 122.838 122.838 119.876 2.962 25502 2604 1 4 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.099 -0.153 25502 2605 1 4 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.441 1.698 25502 2606 1 4 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.885 0.223 25502 2607 1 4 . 1 1 81 81 GLU H H 81 8.878 8.878 8.717 0.161 25502 2608 1 4 . 1 1 82 82 LYS HA H 82 5.525 5.525 5.029 0.496 25502 2609 1 4 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.287 -1.512 25502 2610 1 4 . 1 1 82 82 LYS CB C 82 36.311 36.311 34.732 1.579 25502 2611 1 4 . 1 1 82 82 LYS H H 82 7.799 7.799 7.485 0.314 25502 2612 1 4 . 1 1 83 83 PHE N N 83 116.432 116.432 115.131 1.301 25502 2613 1 4 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.840 0.105 25502 2614 1 4 . 1 1 83 83 PHE CA C 83 55.737 55.737 56.052 -0.315 25502 2615 1 4 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.907 0.387 25502 2616 1 4 . 1 1 83 83 PHE H H 83 9.147 9.147 7.975 1.172 25502 2617 1 4 . 1 1 84 84 GLU N N 84 119.352 119.352 118.535 0.817 25502 2618 1 4 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.090 -0.288 25502 2619 1 4 . 1 1 84 84 GLU CA C 84 56.197 56.197 56.181 0.016 25502 2620 1 4 . 1 1 84 84 GLU CB C 84 29.105 29.105 29.884 -0.779 25502 2621 1 4 . 1 1 84 84 GLU H H 84 9.252 9.252 8.511 0.741 25502 2622 1 4 . 1 1 85 85 ASP N N 85 118.583 118.583 119.383 -0.800 25502 2623 1 4 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.541 -0.315 25502 2624 1 4 . 1 1 85 85 ASP CA C 85 53.974 53.974 53.429 0.545 25502 2625 1 4 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.428 -0.643 25502 2626 1 4 . 1 1 85 85 ASP H H 85 8.593 8.593 8.317 0.276 25502 2627 1 4 . 1 1 86 86 GLU N N 86 131.488 131.488 119.908 11.580 25502 2628 1 4 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.308 -0.513 25502 2629 1 4 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.021 3.252 25502 2630 1 4 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.487 0.152 25502 2631 1 4 . 1 1 86 86 GLU H H 86 9.461 9.461 8.730 0.731 25502 2632 1 4 . 1 1 87 87 ASN N N 87 106.549 106.549 113.934 -7.385 25502 2633 1 4 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.902 0.228 25502 2634 1 4 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.214 0.375 25502 2635 1 4 . 1 1 87 87 ASN CB C 87 39.349 39.349 38.515 0.834 25502 2636 1 4 . 1 1 87 87 ASN H H 87 7.044 7.044 7.534 -0.490 25502 2637 1 4 . 1 1 88 88 PHE N N 88 112.731 112.731 114.995 -2.264 25502 2638 1 4 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.944 0.983 25502 2639 1 4 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.226 -0.538 25502 2640 1 4 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.857 -0.037 25502 2641 1 4 . 1 1 88 88 PHE H H 88 8.319 8.319 7.984 0.335 25502 2642 1 4 . 1 1 89 89 ILE N N 89 119.556 119.556 121.261 -1.705 25502 2643 1 4 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.824 -0.172 25502 2644 1 4 . 1 1 89 89 ILE CA C 89 64.887 64.887 64.172 0.715 25502 2645 1 4 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.740 1.199 25502 2646 1 4 . 1 1 89 89 ILE H H 89 8.302 8.302 7.970 0.332 25502 2647 1 4 . 1 1 90 90 LEU N N 90 116.951 116.951 120.001 -3.050 25502 2648 1 4 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.370 0.086 25502 2649 1 4 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.283 0.902 25502 2650 1 4 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.651 1.259 25502 2651 1 4 . 1 1 90 90 LEU H H 90 7.746 7.746 7.885 -0.139 25502 2652 1 4 . 1 1 91 91 LYS N N 91 118.722 118.722 121.091 -2.369 25502 2653 1 4 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.073 0.555 25502 2654 1 4 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.815 -1.500 25502 2655 1 4 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.541 1.009 25502 2656 1 4 . 1 1 91 91 LYS H H 91 8.057 8.057 7.896 0.161 25502 2657 1 4 . 1 1 92 92 HIS N N 92 122.221 122.221 119.239 2.982 25502 2658 1 4 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.318 0.024 25502 2659 1 4 . 1 1 92 92 HIS CA C 92 56.756 56.756 55.650 1.107 25502 2660 1 4 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.544 -1.649 25502 2661 1 4 . 1 1 92 92 HIS H H 92 10.706 10.706 7.974 2.732 25502 2662 1 4 . 1 1 93 93 THR N N 93 110.178 110.178 113.174 -2.996 25502 2663 1 4 . 1 1 93 93 THR HA H 93 4.004 4.004 4.423 -0.419 25502 2664 1 4 . 1 1 93 93 THR CA C 93 63.018 63.018 61.065 1.953 25502 2665 1 4 . 1 1 93 93 THR CB C 93 69.341 69.341 69.132 0.209 25502 2666 1 4 . 1 1 93 93 THR H H 93 7.261 7.261 7.841 -0.580 25502 2667 1 4 . 1 1 94 94 GLY N N 94 106.990 106.990 110.256 -3.266 25502 2668 1 4 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.476 0.978 25502 2669 1 4 . 1 1 94 94 GLY H H 94 7.489 7.489 7.576 -0.087 25502 2670 1 4 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.498 -0.694 25502 2671 1 4 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.658 -0.119 25502 2672 1 4 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.473 29.479 25502 2673 1 4 . 1 1 96 96 GLY N N 96 109.908 109.908 108.435 1.473 25502 2674 1 4 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.657 -0.828 25502 2675 1 4 . 1 1 96 96 GLY H H 96 9.271 9.271 8.912 0.359 25502 2676 1 4 . 1 1 97 97 ILE N N 97 121.176 121.176 120.097 1.079 25502 2677 1 4 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.493 -0.378 25502 2678 1 4 . 1 1 97 97 ILE CA C 97 59.311 59.311 58.978 0.333 25502 2679 1 4 . 1 1 97 97 ILE CB C 97 37.758 37.758 39.063 -1.305 25502 2680 1 4 . 1 1 97 97 ILE H H 97 6.765 6.765 7.386 -0.621 25502 2681 1 4 . 1 1 98 98 LEU N N 98 128.477 128.477 127.394 1.083 25502 2682 1 4 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.740 0.258 25502 2683 1 4 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.532 -0.299 25502 2684 1 4 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.100 -0.475 25502 2685 1 4 . 1 1 98 98 LEU H H 98 7.872 7.872 8.025 -0.153 25502 2686 1 4 . 1 1 99 99 SER N N 99 118.325 118.325 115.129 3.196 25502 2687 1 4 . 1 1 99 99 SER HA H 99 5.316 5.316 4.879 0.437 25502 2688 1 4 . 1 1 99 99 SER CA C 99 54.909 54.909 57.073 -2.164 25502 2689 1 4 . 1 1 99 99 SER CB C 99 65.380 65.380 65.276 0.104 25502 2690 1 4 . 1 1 99 99 SER H H 99 8.285 8.285 8.406 -0.121 25502 2691 1 4 . 1 1 100 100 MET N N 100 122.826 122.826 119.728 3.098 25502 2692 1 4 . 1 1 100 100 MET HA H 100 5.259 5.259 4.441 0.818 25502 2693 1 4 . 1 1 100 100 MET CA C 100 53.800 53.800 53.326 0.474 25502 2694 1 4 . 1 1 100 100 MET CB C 100 30.960 30.960 35.249 -4.289 25502 2695 1 4 . 1 1 100 100 MET H H 100 8.544 8.544 8.196 0.348 25502 2696 1 4 . 1 1 101 101 ALA N N 101 125.971 125.971 125.917 0.054 25502 2697 1 4 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.027 0.249 25502 2698 1 4 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.683 -0.185 25502 2699 1 4 . 1 1 101 101 ALA CB C 101 19.403 19.403 19.531 -0.128 25502 2700 1 4 . 1 1 101 101 ALA H H 101 7.999 7.999 8.191 -0.192 25502 2701 1 4 . 1 1 102 102 ASN N N 102 113.207 113.207 119.768 -6.561 25502 2702 1 4 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.681 -0.105 25502 2703 1 4 . 1 1 102 102 ASN CA C 102 53.841 53.841 53.241 0.600 25502 2704 1 4 . 1 1 102 102 ASN CB C 102 40.379 40.379 40.135 0.244 25502 2705 1 4 . 1 1 102 102 ASN H H 102 8.097 8.097 8.190 -0.093 25502 2706 1 4 . 1 1 103 103 ALA N N 103 123.056 123.056 121.598 1.458 25502 2707 1 4 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.164 0.621 25502 2708 1 4 . 1 1 103 103 ALA CA C 103 50.154 50.154 54.111 -3.957 25502 2709 1 4 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.215 -0.186 25502 2710 1 4 . 1 1 103 103 ALA H H 103 8.787 8.787 8.701 0.086 25502 2711 1 4 . 1 1 104 104 GLY N N 104 108.942 108.942 104.528 4.414 25502 2712 1 4 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.877 -1.468 25502 2713 1 4 . 1 1 104 104 GLY H H 104 8.111 8.111 8.418 -0.307 25502 2714 1 4 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.418 -0.091 25502 2715 1 4 . 1 1 105 105 PRO CA C 105 63.883 63.883 62.366 1.517 25502 2716 1 4 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.534 1.368 25502 2717 1 4 . 1 1 106 106 ASN N N 106 118.866 118.866 119.819 -0.953 25502 2718 1 4 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.369 -0.372 25502 2719 1 4 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.338 -0.235 25502 2720 1 4 . 1 1 106 106 ASN CB C 106 36.992 36.992 35.795 1.197 25502 2721 1 4 . 1 1 106 106 ASN H H 106 8.866 8.866 9.411 -0.545 25502 2722 1 4 . 1 1 107 107 THR N N 107 109.971 109.971 106.378 3.593 25502 2723 1 4 . 1 1 107 107 THR HA H 107 4.434 4.434 4.421 0.013 25502 2724 1 4 . 1 1 107 107 THR CA C 107 60.040 60.040 60.472 -0.432 25502 2725 1 4 . 1 1 107 107 THR CB C 107 39.196 39.196 70.575 -31.379 25502 2726 1 4 . 1 1 107 107 THR H H 107 10.165 10.165 7.322 2.843 25502 2727 1 4 . 1 1 108 108 ASN N N 108 120.251 120.251 121.296 -1.045 25502 2728 1 4 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.765 -0.550 25502 2729 1 4 . 1 1 108 108 ASN CA C 108 55.448 55.448 53.214 2.234 25502 2730 1 4 . 1 1 108 108 ASN CB C 108 39.600 39.600 39.241 0.359 25502 2731 1 4 . 1 1 108 108 ASN H H 108 7.349 7.349 7.233 0.116 25502 2732 1 4 . 1 1 109 109 GLY N N 109 110.632 110.632 109.048 1.584 25502 2733 1 4 . 1 1 109 109 GLY CA C 109 46.039 46.039 44.618 1.421 25502 2734 1 4 . 1 1 109 109 GLY H H 109 9.188 9.188 8.513 0.675 25502 2735 1 4 . 1 1 110 110 SER N N 110 116.806 116.806 115.199 1.607 25502 2736 1 4 . 1 1 110 110 SER HA H 110 4.698 4.698 4.673 0.025 25502 2737 1 4 . 1 1 110 110 SER CA C 110 57.454 57.454 58.072 -0.618 25502 2738 1 4 . 1 1 110 110 SER CB C 110 65.964 65.964 64.813 1.151 25502 2739 1 4 . 1 1 110 110 SER H H 110 8.738 8.738 8.526 0.212 25502 2740 1 4 . 1 1 111 111 GLN N N 111 124.263 124.263 122.624 1.639 25502 2741 1 4 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.534 0.634 25502 2742 1 4 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.075 3.419 25502 2743 1 4 . 1 1 111 111 GLN CB C 111 31.632 31.632 28.171 3.461 25502 2744 1 4 . 1 1 111 111 GLN H H 111 8.388 8.388 8.222 0.166 25502 2745 1 4 . 1 1 112 112 PHE N N 112 117.560 117.560 119.906 -2.346 25502 2746 1 4 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.898 1.816 25502 2747 1 4 . 1 1 112 112 PHE CA C 112 55.447 55.447 57.925 -2.478 25502 2748 1 4 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.588 3.412 25502 2749 1 4 . 1 1 112 112 PHE H H 112 8.058 8.058 7.689 0.369 25502 2750 1 4 . 1 1 113 113 PHE N N 113 116.199 116.199 113.308 2.891 25502 2751 1 4 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.669 1.001 25502 2752 1 4 . 1 1 113 113 PHE CA C 113 54.437 54.437 54.805 -0.368 25502 2753 1 4 . 1 1 113 113 PHE CB C 113 42.617 42.617 38.442 4.175 25502 2754 1 4 . 1 1 113 113 PHE H H 113 9.795 9.795 8.583 1.212 25502 2755 1 4 . 1 1 114 114 ILE N N 114 118.391 118.391 121.674 -3.283 25502 2756 1 4 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.976 0.818 25502 2757 1 4 . 1 1 114 114 ILE CA C 114 60.060 60.060 63.024 -2.964 25502 2758 1 4 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.811 2.351 25502 2759 1 4 . 1 1 114 114 ILE H H 114 9.098 9.098 8.956 0.142 25502 2760 1 4 . 1 1 115 115 CYS N N 115 125.271 125.271 128.963 -3.692 25502 2761 1 4 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.370 0.382 25502 2762 1 4 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.951 1.721 25502 2763 1 4 . 1 1 115 115 CYS CB C 115 58.569 58.569 27.837 30.733 25502 2764 1 4 . 1 1 115 115 CYS H H 115 9.597 9.597 8.459 1.138 25502 2765 1 4 . 1 1 116 116 THR N N 116 115.478 115.478 119.631 -4.153 25502 2766 1 4 . 1 1 116 116 THR HA H 116 4.324 4.324 4.347 -0.023 25502 2767 1 4 . 1 1 116 116 THR CA C 116 60.720 60.720 61.490 -0.770 25502 2768 1 4 . 1 1 116 116 THR CB C 116 66.502 66.502 68.178 -1.676 25502 2769 1 4 . 1 1 116 116 THR H H 116 8.947 8.947 8.193 0.754 25502 2770 1 4 . 1 1 117 117 ALA N N 117 121.996 121.996 122.448 -0.452 25502 2771 1 4 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.323 0.035 25502 2772 1 4 . 1 1 117 117 ALA CA C 117 50.511 50.511 52.015 -1.504 25502 2773 1 4 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.429 2.179 25502 2774 1 4 . 1 1 117 117 ALA H H 117 7.602 7.602 7.116 0.486 25502 2775 1 4 . 1 1 118 118 LYS N N 118 119.550 119.550 124.675 -5.125 25502 2776 1 4 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.863 -0.084 25502 2777 1 4 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.315 0.349 25502 2778 1 4 . 1 1 118 118 LYS CB C 118 32.499 32.499 32.274 0.225 25502 2779 1 4 . 1 1 118 118 LYS H H 118 8.690 8.690 8.346 0.344 25502 2780 1 4 . 1 1 119 119 THR N N 119 118.759 118.759 119.943 -1.184 25502 2781 1 4 . 1 1 119 119 THR HA H 119 3.623 3.623 1.986 1.637 25502 2782 1 4 . 1 1 119 119 THR CA C 119 57.088 57.088 58.594 -1.506 25502 2783 1 4 . 1 1 119 119 THR H H 119 7.328 7.328 8.201 -0.873 25502 2784 1 4 . 1 1 120 120 GLU N N 120 124.407 124.407 123.260 1.147 25502 2785 1 4 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.651 0.469 25502 2786 1 4 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.148 0.924 25502 2787 1 4 . 1 1 120 120 GLU H H 120 9.092 9.092 7.018 2.074 25502 2788 1 4 . 1 1 121 121 TRP N N 121 117.495 117.495 115.887 1.608 25502 2789 1 4 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.411 0.242 25502 2790 1 4 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.097 1.363 25502 2791 1 4 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.171 -1.421 25502 2792 1 4 . 1 1 121 121 TRP H H 121 7.251 7.251 7.230 0.021 25502 2793 1 4 . 1 1 122 122 LEU N N 122 119.528 119.528 117.790 1.738 25502 2794 1 4 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.248 0.003 25502 2795 1 4 . 1 1 122 122 LEU CA C 122 54.500 54.500 55.654 -1.154 25502 2796 1 4 . 1 1 122 122 LEU CB C 122 38.899 38.899 42.277 -3.378 25502 2797 1 4 . 1 1 122 122 LEU H H 122 7.019 7.019 6.664 0.355 25502 2798 1 4 . 1 1 123 123 ASP N N 123 121.832 121.832 116.066 5.766 25502 2799 1 4 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.513 0.652 25502 2800 1 4 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.299 0.557 25502 2801 1 4 . 1 1 123 123 ASP CB C 123 39.372 39.372 41.363 -1.991 25502 2802 1 4 . 1 1 123 123 ASP H H 123 7.607 7.607 7.870 -0.263 25502 2803 1 4 . 1 1 124 124 GLY N N 124 110.836 110.836 107.689 3.147 25502 2804 1 4 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.494 -0.471 25502 2805 1 4 . 1 1 124 124 GLY H H 124 9.522 9.522 8.306 1.216 25502 2806 1 4 . 1 1 125 125 LYS N N 125 115.016 115.016 117.021 -2.005 25502 2807 1 4 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.092 0.017 25502 2808 1 4 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.722 -0.474 25502 2809 1 4 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.965 2.424 25502 2810 1 4 . 1 1 125 125 LYS H H 125 7.727 7.727 8.180 -0.453 25502 2811 1 4 . 1 1 126 126 HIS N N 126 119.223 119.223 113.759 5.464 25502 2812 1 4 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.928 -0.129 25502 2813 1 4 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.846 -0.287 25502 2814 1 4 . 1 1 126 126 HIS H H 126 7.571 7.571 7.650 -0.079 25502 2815 1 4 . 1 1 127 127 VAL N N 127 124.730 124.730 121.492 3.238 25502 2816 1 4 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.349 -0.091 25502 2817 1 4 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.388 2.259 25502 2818 1 4 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.080 0.336 25502 2819 1 4 . 1 1 127 127 VAL H H 127 8.474 8.474 8.715 -0.241 25502 2820 1 4 . 1 1 128 128 VAL N N 128 132.814 132.814 127.547 5.267 25502 2821 1 4 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.596 -0.446 25502 2822 1 4 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.700 -1.331 25502 2823 1 4 . 1 1 128 128 VAL H H 128 9.470 9.470 8.787 0.683 25502 2824 1 4 . 1 1 129 129 PHE N N 129 117.478 117.478 121.187 -3.709 25502 2825 1 4 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.974 0.279 25502 2826 1 4 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.357 -0.450 25502 2827 1 4 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.744 2.712 25502 2828 1 4 . 1 1 129 129 PHE H H 129 8.086 8.086 8.118 -0.032 25502 2829 1 4 . 1 1 130 130 GLY N N 130 110.497 110.497 107.638 2.859 25502 2830 1 4 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.478 0.916 25502 2831 1 4 . 1 1 130 130 GLY H H 130 7.297 7.297 7.539 -0.242 25502 2832 1 4 . 1 1 131 131 LYS N N 131 115.059 115.059 116.896 -1.837 25502 2833 1 4 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.711 0.496 25502 2834 1 4 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.888 -1.093 25502 2835 1 4 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.587 0.265 25502 2836 1 4 . 1 1 131 131 LYS H H 131 8.353 8.353 8.389 -0.036 25502 2837 1 4 . 1 1 132 132 VAL N N 132 123.802 123.802 125.813 -2.011 25502 2838 1 4 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.724 0.164 25502 2839 1 4 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.858 -0.911 25502 2840 1 4 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.780 1.767 25502 2841 1 4 . 1 1 132 132 VAL H H 132 9.015 9.015 8.667 0.348 25502 2842 1 4 . 1 1 133 133 LYS N N 133 131.324 131.324 128.420 2.904 25502 2843 1 4 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.175 0.249 25502 2844 1 4 . 1 1 133 133 LYS CA C 133 56.659 56.659 56.961 -0.302 25502 2845 1 4 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.377 0.490 25502 2846 1 4 . 1 1 133 133 LYS H H 133 9.469 9.469 8.748 0.721 25502 2847 1 4 . 1 1 134 134 GLU N N 134 118.178 118.178 116.666 1.512 25502 2848 1 4 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.361 0.198 25502 2849 1 4 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.658 -0.510 25502 2850 1 4 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.335 0.401 25502 2851 1 4 . 1 1 134 134 GLU H H 134 7.543 7.543 7.625 -0.082 25502 2852 1 4 . 1 1 135 135 GLY N N 135 107.767 107.767 109.326 -1.559 25502 2853 1 4 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.217 0.650 25502 2854 1 4 . 1 1 135 135 GLY H H 135 8.693 8.693 8.701 -0.008 25502 2855 1 4 . 1 1 136 136 MET N N 136 122.307 122.307 118.927 3.380 25502 2856 1 4 . 1 1 136 136 MET HA H 136 4.437 4.437 4.073 0.364 25502 2857 1 4 . 1 1 136 136 MET CA C 136 56.659 56.659 56.847 -0.188 25502 2858 1 4 . 1 1 136 136 MET CB C 136 30.025 30.025 31.762 -1.738 25502 2859 1 4 . 1 1 136 136 MET H H 136 8.790 8.790 8.543 0.247 25502 2860 1 4 . 1 1 137 137 ASN N N 137 114.221 114.221 117.548 -3.327 25502 2861 1 4 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.446 0.004 25502 2862 1 4 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.737 0.189 25502 2863 1 4 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.473 -1.656 25502 2864 1 4 . 1 1 137 137 ASN H H 137 8.849 8.849 8.525 0.324 25502 2865 1 4 . 1 1 138 138 ILE N N 138 123.949 123.949 119.686 4.263 25502 2866 1 4 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.932 -0.182 25502 2867 1 4 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.720 -2.389 25502 2868 1 4 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.673 -2.333 25502 2869 1 4 . 1 1 138 138 ILE H H 138 7.642 7.642 8.347 -0.705 25502 2870 1 4 . 1 1 139 139 VAL N N 139 121.654 121.654 119.474 2.180 25502 2871 1 4 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.760 0.084 25502 2872 1 4 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.051 -0.020 25502 2873 1 4 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.737 0.239 25502 2874 1 4 . 1 1 139 139 VAL H H 139 7.244 7.244 7.706 -0.462 25502 2875 1 4 . 1 1 140 140 GLU N N 140 117.078 117.078 119.380 -2.302 25502 2876 1 4 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.189 -0.146 25502 2877 1 4 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.961 0.201 25502 2878 1 4 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.522 -0.103 25502 2879 1 4 . 1 1 140 140 GLU H H 140 8.291 8.291 7.571 0.720 25502 2880 1 4 . 1 1 141 141 ALA N N 141 120.813 120.813 122.555 -1.742 25502 2881 1 4 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.113 -0.052 25502 2882 1 4 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.870 -0.141 25502 2883 1 4 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.441 -0.425 25502 2884 1 4 . 1 1 141 141 ALA H H 141 7.495 7.495 7.707 -0.212 25502 2885 1 4 . 1 1 142 142 MET N N 142 117.301 117.301 117.699 -0.398 25502 2886 1 4 . 1 1 142 142 MET HA H 142 3.938 3.938 4.256 -0.318 25502 2887 1 4 . 1 1 142 142 MET CA C 142 59.610 59.610 59.274 0.336 25502 2888 1 4 . 1 1 142 142 MET CB C 142 33.678 33.678 32.439 1.239 25502 2889 1 4 . 1 1 142 142 MET H H 142 8.259 8.259 7.964 0.295 25502 2890 1 4 . 1 1 143 143 GLU N N 143 116.052 116.052 117.272 -1.220 25502 2891 1 4 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.084 -0.368 25502 2892 1 4 . 1 1 143 143 GLU CA C 143 59.182 59.182 58.660 0.521 25502 2893 1 4 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.486 1.785 25502 2894 1 4 . 1 1 143 143 GLU H H 143 7.832 7.832 7.931 -0.099 25502 2895 1 4 . 1 1 144 144 ARG N N 144 114.357 114.357 119.671 -5.314 25502 2896 1 4 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.072 -0.150 25502 2897 1 4 . 1 1 144 144 ARG CA C 144 57.542 57.542 58.011 -0.469 25502 2898 1 4 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.335 -0.032 25502 2899 1 4 . 1 1 144 144 ARG H H 144 7.034 7.034 7.379 -0.345 25502 2900 1 4 . 1 1 145 145 PHE N N 145 115.146 115.146 116.860 -1.714 25502 2901 1 4 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.755 0.038 25502 2902 1 4 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.319 0.295 25502 2903 1 4 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.238 -0.325 25502 2904 1 4 . 1 1 145 145 PHE H H 145 7.624 7.624 7.938 -0.314 25502 2905 1 4 . 1 1 146 146 GLY N N 146 104.498 104.498 106.620 -2.122 25502 2906 1 4 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.413 0.736 25502 2907 1 4 . 1 1 146 146 GLY H H 146 7.514 7.514 7.352 0.162 25502 2908 1 4 . 1 1 147 147 SER N N 147 109.815 109.815 114.605 -4.790 25502 2909 1 4 . 1 1 147 147 SER HA H 147 4.755 4.755 4.673 0.082 25502 2910 1 4 . 1 1 147 147 SER CA C 147 58.033 58.033 56.200 1.833 25502 2911 1 4 . 1 1 147 147 SER H H 147 8.190 8.190 8.275 -0.085 25502 2912 1 4 . 1 1 148 148 ARG N N 148 119.789 119.789 126.363 -6.574 25502 2913 1 4 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.281 -0.114 25502 2914 1 4 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.742 2.748 25502 2915 1 4 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.619 2.043 25502 2916 1 4 . 1 1 148 148 ARG H H 148 8.795 8.795 8.835 -0.040 25502 2917 1 4 . 1 1 149 149 ASN N N 149 111.378 111.378 117.778 -6.400 25502 2918 1 4 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.668 0.166 25502 2919 1 4 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.295 -1.175 25502 2920 1 4 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.815 -1.574 25502 2921 1 4 . 1 1 149 149 ASN H H 149 7.841 7.841 8.477 -0.636 25502 2922 1 4 . 1 1 150 150 GLY N N 150 109.893 109.893 109.666 0.227 25502 2923 1 4 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.273 -0.376 25502 2924 1 4 . 1 1 150 150 GLY H H 150 8.040 8.040 7.702 0.338 25502 2925 1 4 . 1 1 151 151 LYS N N 151 119.608 119.608 123.235 -3.627 25502 2926 1 4 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.281 0.124 25502 2927 1 4 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.738 -0.693 25502 2928 1 4 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.222 -0.953 25502 2929 1 4 . 1 1 151 151 LYS H H 151 7.525 7.525 8.194 -0.669 25502 2930 1 4 . 1 1 152 152 THR N N 152 116.317 116.317 110.751 5.566 25502 2931 1 4 . 1 1 152 152 THR HA H 152 5.532 5.532 4.841 0.691 25502 2932 1 4 . 1 1 152 152 THR CA C 152 59.953 59.953 59.676 0.277 25502 2933 1 4 . 1 1 152 152 THR CB C 152 71.108 71.108 71.419 -0.311 25502 2934 1 4 . 1 1 152 152 THR H H 152 8.823 8.823 8.323 0.500 25502 2935 1 4 . 1 1 153 153 SER N N 153 116.804 116.804 116.638 0.166 25502 2936 1 4 . 1 1 153 153 SER HA H 153 4.456 4.456 4.629 -0.173 25502 2937 1 4 . 1 1 153 153 SER CA C 153 58.712 58.712 59.693 -0.980 25502 2938 1 4 . 1 1 153 153 SER CB C 153 63.477 63.477 64.001 -0.525 25502 2939 1 4 . 1 1 153 153 SER H H 153 9.412 9.412 8.652 0.760 25502 2940 1 4 . 1 1 154 154 LYS N N 154 119.068 119.068 122.415 -3.347 25502 2941 1 4 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.137 0.395 25502 2942 1 4 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.743 -2.343 25502 2943 1 4 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.163 5.243 25502 2944 1 4 . 1 1 154 154 LYS H H 154 7.527 7.527 8.450 -0.923 25502 2945 1 4 . 1 1 155 155 LYS N N 155 121.541 121.541 121.051 0.490 25502 2946 1 4 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.582 -0.269 25502 2947 1 4 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.201 0.946 25502 2948 1 4 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.696 -0.708 25502 2949 1 4 . 1 1 155 155 LYS H H 155 8.791 8.791 8.355 0.436 25502 2950 1 4 . 1 1 156 156 ILE N N 156 133.980 133.980 129.605 4.375 25502 2951 1 4 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.129 -0.036 25502 2952 1 4 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.543 -1.279 25502 2953 1 4 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.838 -0.998 25502 2954 1 4 . 1 1 156 156 ILE H H 156 9.606 9.606 8.955 0.651 25502 2955 1 4 . 1 1 157 157 THR N N 157 116.977 116.977 121.363 -4.386 25502 2956 1 4 . 1 1 157 157 THR HA H 157 5.274 5.274 5.015 0.259 25502 2957 1 4 . 1 1 157 157 THR CA C 157 59.475 59.475 60.112 -0.637 25502 2958 1 4 . 1 1 157 157 THR CB C 157 72.475 72.475 71.683 0.792 25502 2959 1 4 . 1 1 157 157 THR H H 157 9.233 9.233 9.044 0.189 25502 2960 1 4 . 1 1 158 158 ILE N N 158 121.529 121.529 121.780 -0.251 25502 2961 1 4 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.992 -0.750 25502 2962 1 4 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.365 0.503 25502 2963 1 4 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.970 -2.180 25502 2964 1 4 . 1 1 158 158 ILE H H 158 8.580 8.580 8.782 -0.202 25502 2965 1 4 . 1 1 159 159 ALA N N 159 132.313 132.313 131.870 0.443 25502 2966 1 4 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.400 -0.276 25502 2967 1 4 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.355 0.718 25502 2968 1 4 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.797 -0.784 25502 2969 1 4 . 1 1 159 159 ALA H H 159 8.873 8.873 8.966 -0.093 25502 2970 1 4 . 1 1 160 160 ASP N N 160 111.257 111.257 116.292 -5.035 25502 2971 1 4 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.834 0.056 25502 2972 1 4 . 1 1 160 160 ASP CA C 160 52.639 52.639 52.900 -0.261 25502 2973 1 4 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.722 -0.135 25502 2974 1 4 . 1 1 160 160 ASP H H 160 8.066 8.066 7.893 0.173 25502 2975 1 4 . 1 1 161 161 CYS N N 161 115.837 115.837 118.442 -2.605 25502 2976 1 4 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.863 0.681 25502 2977 1 4 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.962 -0.814 25502 2978 1 4 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.086 0.051 25502 2979 1 4 . 1 1 161 161 CYS H H 161 8.591 8.591 8.366 0.225 25502 2980 1 4 . 1 1 162 162 GLY N N 162 103.888 103.888 108.265 -4.377 25502 2981 1 4 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.322 0.027 25502 2982 1 4 . 1 1 162 162 GLY H H 162 6.844 6.844 7.607 -0.763 25502 2983 1 4 . 1 1 163 163 GLN N N 163 120.718 120.718 122.033 -1.315 25502 2984 1 4 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.316 0.753 25502 2985 1 4 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.219 -1.410 25502 2986 1 4 . 1 1 163 163 GLN CB C 163 30.590 30.590 28.339 2.251 25502 2987 1 4 . 1 1 163 163 GLN H H 163 9.066 9.066 8.595 0.471 25502 2988 1 4 . 1 1 164 164 LEU N N 164 125.816 125.816 127.615 -1.799 25502 2989 1 4 . 1 1 164 164 LEU HA H 164 4.607 4.607 3.926 0.681 25502 2990 1 4 . 1 1 164 164 LEU CA C 164 54.739 54.739 57.005 -2.266 25502 2991 1 4 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.507 1.855 25502 2992 1 4 . 1 1 164 164 LEU H H 164 8.593 8.593 8.898 -0.305 25502 2993 1 5 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.244 -0.068 25502 2994 1 5 . 1 1 2 2 VAL CA C 2 61.492 61.492 63.036 -1.544 25502 2995 1 5 . 1 1 2 2 VAL CB C 2 33.126 33.126 32.090 1.036 25502 2996 1 5 . 1 1 3 3 ASN N N 3 126.515 126.515 118.518 7.997 25502 2997 1 5 . 1 1 3 3 ASN HA H 3 5.137 5.137 4.524 0.613 25502 2998 1 5 . 1 1 3 3 ASN CA C 3 51.008 51.008 53.783 -2.775 25502 2999 1 5 . 1 1 3 3 ASN CB C 3 37.799 37.799 38.447 -0.647 25502 3000 1 5 . 1 1 3 3 ASN H H 3 8.600 8.600 8.107 0.493 25502 3001 1 5 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.448 0.305 25502 3002 1 5 . 1 1 4 4 PRO CA C 4 62.669 62.669 63.141 -0.472 25502 3003 1 5 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.514 0.624 25502 3004 1 5 . 1 1 5 5 THR N N 5 114.826 114.826 116.729 -1.903 25502 3005 1 5 . 1 1 5 5 THR HA H 5 5.716 5.716 5.136 0.580 25502 3006 1 5 . 1 1 5 5 THR CA C 5 60.698 60.698 61.395 -0.697 25502 3007 1 5 . 1 1 5 5 THR CB C 5 41.142 41.142 72.069 -30.927 25502 3008 1 5 . 1 1 5 5 THR H H 5 8.771 8.771 8.211 0.560 25502 3009 1 5 . 1 1 6 6 VAL N N 6 120.113 120.113 123.014 -2.901 25502 3010 1 5 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.479 -0.140 25502 3011 1 5 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.373 -0.576 25502 3012 1 5 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.452 0.683 25502 3013 1 5 . 1 1 6 6 VAL H H 6 8.741 8.741 8.617 0.124 25502 3014 1 5 . 1 1 7 7 PHE N N 7 118.968 118.968 122.600 -3.632 25502 3015 1 5 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.151 0.744 25502 3016 1 5 . 1 1 7 7 PHE CA C 7 55.688 55.688 54.982 0.706 25502 3017 1 5 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.589 1.454 25502 3018 1 5 . 1 1 7 7 PHE H H 7 8.954 8.954 8.369 0.585 25502 3019 1 5 . 1 1 8 8 PHE N N 8 116.774 116.774 120.742 -3.968 25502 3020 1 5 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.884 0.433 25502 3021 1 5 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.219 -3.796 25502 3022 1 5 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.350 1.520 25502 3023 1 5 . 1 1 8 8 PHE H H 8 9.540 9.540 8.744 0.796 25502 3024 1 5 . 1 1 9 9 ASP N N 9 123.959 123.959 124.943 -0.984 25502 3025 1 5 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.656 0.877 25502 3026 1 5 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.578 -0.813 25502 3027 1 5 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.578 -0.265 25502 3028 1 5 . 1 1 9 9 ASP H H 9 9.266 9.266 9.099 0.167 25502 3029 1 5 . 1 1 10 10 ILE N N 10 124.122 124.122 125.353 -1.231 25502 3030 1 5 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.596 0.576 25502 3031 1 5 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.230 -2.071 25502 3032 1 5 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.486 0.216 25502 3033 1 5 . 1 1 10 10 ILE H H 10 9.030 9.030 7.922 1.108 25502 3034 1 5 . 1 1 11 11 ALA N N 11 132.244 132.244 130.954 1.290 25502 3035 1 5 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.872 0.293 25502 3036 1 5 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.384 0.280 25502 3037 1 5 . 1 1 11 11 ALA CB C 11 52.561 52.561 22.971 29.590 25502 3038 1 5 . 1 1 11 11 ALA H H 11 9.603 9.603 9.329 0.274 25502 3039 1 5 . 1 1 12 12 VAL N N 12 118.199 118.199 121.748 -3.549 25502 3040 1 5 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.900 -0.389 25502 3041 1 5 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.339 0.087 25502 3042 1 5 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.109 1.072 25502 3043 1 5 . 1 1 12 12 VAL H H 12 8.943 8.943 8.803 0.140 25502 3044 1 5 . 1 1 13 13 ASP N N 13 130.748 130.748 128.420 2.328 25502 3045 1 5 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.308 0.012 25502 3046 1 5 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.606 0.220 25502 3047 1 5 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.161 -0.327 25502 3048 1 5 . 1 1 13 13 ASP H H 13 9.846 9.846 8.881 0.965 25502 3049 1 5 . 1 1 14 14 GLY N N 14 101.493 101.493 103.817 -2.324 25502 3050 1 5 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.993 0.089 25502 3051 1 5 . 1 1 14 14 GLY H H 14 8.558 8.558 8.667 -0.109 25502 3052 1 5 . 1 1 15 15 GLU N N 15 123.014 123.014 123.478 -0.464 25502 3053 1 5 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.715 0.121 25502 3054 1 5 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.758 -0.005 25502 3055 1 5 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.279 -0.043 25502 3056 1 5 . 1 1 15 15 GLU H H 15 8.046 8.046 7.647 0.399 25502 3057 1 5 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.672 -0.496 25502 3058 1 5 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.947 1.599 25502 3059 1 5 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.504 29.607 25502 3060 1 5 . 1 1 17 17 LEU N N 17 125.784 125.784 123.714 2.070 25502 3061 1 5 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.095 0.592 25502 3062 1 5 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.647 -1.299 25502 3063 1 5 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.528 1.629 25502 3064 1 5 . 1 1 17 17 LEU H H 17 9.189 9.189 8.818 0.371 25502 3065 1 5 . 1 1 18 18 GLY N N 18 102.200 102.200 104.556 -2.356 25502 3066 1 5 . 1 1 18 18 GLY CA C 18 44.969 44.969 45.015 -0.046 25502 3067 1 5 . 1 1 18 18 GLY H H 18 7.256 7.256 7.411 -0.155 25502 3068 1 5 . 1 1 19 19 ARG N N 19 120.995 120.995 122.594 -1.599 25502 3069 1 5 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.712 0.910 25502 3070 1 5 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.119 -0.104 25502 3071 1 5 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.621 0.719 25502 3072 1 5 . 1 1 19 19 ARG H H 19 8.320 8.320 8.354 -0.034 25502 3073 1 5 . 1 1 20 20 VAL N N 20 126.616 126.616 124.223 2.393 25502 3074 1 5 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.738 -0.135 25502 3075 1 5 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.656 -1.715 25502 3076 1 5 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.224 1.659 25502 3077 1 5 . 1 1 20 20 VAL H H 20 9.364 9.364 8.667 0.697 25502 3078 1 5 . 1 1 21 21 SER N N 21 120.061 120.061 120.474 -0.413 25502 3079 1 5 . 1 1 21 21 SER HA H 21 5.515 5.515 5.312 0.203 25502 3080 1 5 . 1 1 21 21 SER CA C 21 55.317 55.317 55.642 -0.325 25502 3081 1 5 . 1 1 21 21 SER CB C 21 36.773 36.773 65.781 -29.008 25502 3082 1 5 . 1 1 21 21 SER H H 21 8.768 8.768 7.889 0.879 25502 3083 1 5 . 1 1 22 22 PHE N N 22 118.878 118.878 117.278 1.600 25502 3084 1 5 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.324 -0.087 25502 3085 1 5 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.813 -1.125 25502 3086 1 5 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.459 -0.885 25502 3087 1 5 . 1 1 22 22 PHE H H 22 9.508 9.508 9.207 0.301 25502 3088 1 5 . 1 1 23 23 GLU N N 23 122.926 122.926 122.940 -0.014 25502 3089 1 5 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.689 0.060 25502 3090 1 5 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.673 0.276 25502 3091 1 5 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.793 0.836 25502 3092 1 5 . 1 1 23 23 GLU H H 23 8.740 8.740 9.007 -0.267 25502 3093 1 5 . 1 1 24 24 LEU N N 24 122.262 122.262 128.043 -5.781 25502 3094 1 5 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.466 0.231 25502 3095 1 5 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.442 -2.891 25502 3096 1 5 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.582 0.538 25502 3097 1 5 . 1 1 24 24 LEU H H 24 8.185 8.185 8.052 0.133 25502 3098 1 5 . 1 1 25 25 PHE N N 25 124.423 124.423 123.682 0.741 25502 3099 1 5 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.622 0.486 25502 3100 1 5 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.520 -3.230 25502 3101 1 5 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.417 -0.456 25502 3102 1 5 . 1 1 25 25 PHE H H 25 8.815 8.815 9.336 -0.521 25502 3103 1 5 . 1 1 26 26 ALA N N 26 128.683 128.683 125.559 3.124 25502 3104 1 5 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.301 -0.530 25502 3105 1 5 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.413 -0.127 25502 3106 1 5 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.364 0.261 25502 3107 1 5 . 1 1 26 26 ALA H H 26 8.433 8.433 8.364 0.069 25502 3108 1 5 . 1 1 27 27 ASP N N 27 114.069 114.069 118.528 -4.459 25502 3109 1 5 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.538 -0.295 25502 3110 1 5 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.574 -1.246 25502 3111 1 5 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.130 -2.275 25502 3112 1 5 . 1 1 27 27 ASP H H 27 9.052 9.052 8.531 0.521 25502 3113 1 5 . 1 1 28 28 LYS N N 28 117.763 117.763 117.343 0.420 25502 3114 1 5 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.420 0.151 25502 3115 1 5 . 1 1 28 28 LYS CA C 28 56.232 56.232 57.052 -0.820 25502 3116 1 5 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.324 1.598 25502 3117 1 5 . 1 1 28 28 LYS H H 28 7.545 7.545 7.876 -0.331 25502 3118 1 5 . 1 1 29 29 VAL N N 29 114.212 114.212 114.562 -0.350 25502 3119 1 5 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.647 -0.196 25502 3120 1 5 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.984 -0.895 25502 3121 1 5 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.483 0.262 25502 3122 1 5 . 1 1 29 29 VAL H H 29 8.368 8.368 8.317 0.051 25502 3123 1 5 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.338 0.057 25502 3124 1 5 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.838 0.244 25502 3125 1 5 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.203 -0.899 25502 3126 1 5 . 1 1 31 31 LYS N N 31 123.500 123.500 118.646 4.854 25502 3127 1 5 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.023 -0.016 25502 3128 1 5 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.364 0.992 25502 3129 1 5 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.636 0.643 25502 3130 1 5 . 1 1 31 31 LYS H H 31 10.663 10.663 8.721 1.942 25502 3131 1 5 . 1 1 32 32 THR N N 32 123.707 123.707 112.718 10.989 25502 3132 1 5 . 1 1 32 32 THR HA H 32 3.988 3.988 3.973 0.015 25502 3133 1 5 . 1 1 32 32 THR CA C 32 37.678 37.678 65.772 -28.094 25502 3134 1 5 . 1 1 32 32 THR CB C 32 38.883 38.883 68.044 -29.161 25502 3135 1 5 . 1 1 32 32 THR H H 32 10.283 10.283 7.712 2.571 25502 3136 1 5 . 1 1 33 33 ALA N N 33 125.366 125.366 124.911 0.455 25502 3137 1 5 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.471 -0.434 25502 3138 1 5 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.251 0.616 25502 3139 1 5 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.456 -0.221 25502 3140 1 5 . 1 1 33 33 ALA H H 33 9.281 9.281 8.423 0.858 25502 3141 1 5 . 1 1 34 34 GLU N N 34 117.040 117.040 118.659 -1.619 25502 3142 1 5 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.875 0.634 25502 3143 1 5 . 1 1 34 34 GLU CA C 34 57.886 57.886 60.065 -2.179 25502 3144 1 5 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.425 28.478 25502 3145 1 5 . 1 1 34 34 GLU H H 34 8.027 8.027 8.638 -0.611 25502 3146 1 5 . 1 1 35 35 ASN N N 35 115.398 115.398 117.112 -1.714 25502 3147 1 5 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.341 -0.287 25502 3148 1 5 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.350 0.281 25502 3149 1 5 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.215 1.250 25502 3150 1 5 . 1 1 35 35 ASN H H 35 7.139 7.139 7.756 -0.617 25502 3151 1 5 . 1 1 36 36 PHE N N 36 117.607 117.607 121.626 -4.019 25502 3152 1 5 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.421 -0.312 25502 3153 1 5 . 1 1 36 36 PHE CA C 36 61.391 61.391 59.828 1.563 25502 3154 1 5 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.167 0.846 25502 3155 1 5 . 1 1 36 36 PHE H H 36 7.012 7.012 7.743 -0.731 25502 3156 1 5 . 1 1 37 37 ARG N N 37 120.804 120.804 119.837 0.967 25502 3157 1 5 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.868 -0.236 25502 3158 1 5 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.560 0.821 25502 3159 1 5 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.175 -0.316 25502 3160 1 5 . 1 1 37 37 ARG H H 37 8.935 8.935 9.006 -0.071 25502 3161 1 5 . 1 1 38 38 ALA N N 38 118.869 118.869 122.225 -3.356 25502 3162 1 5 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.255 -0.186 25502 3163 1 5 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.020 -0.680 25502 3164 1 5 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.251 -0.016 25502 3165 1 5 . 1 1 38 38 ALA H H 38 8.687 8.687 8.213 0.474 25502 3166 1 5 . 1 1 39 39 LEU N N 39 120.488 120.488 118.711 1.777 25502 3167 1 5 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.978 -0.234 25502 3168 1 5 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.454 -0.339 25502 3169 1 5 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.938 -0.912 25502 3170 1 5 . 1 1 39 39 LEU H H 39 8.173 8.173 7.487 0.686 25502 3171 1 5 . 1 1 40 40 SER N N 40 118.952 118.952 115.468 3.484 25502 3172 1 5 . 1 1 40 40 SER HA H 40 4.444 4.444 3.927 0.517 25502 3173 1 5 . 1 1 40 40 SER CA C 40 62.334 62.334 61.741 0.593 25502 3174 1 5 . 1 1 40 40 SER CB C 40 62.884 62.884 62.567 0.317 25502 3175 1 5 . 1 1 40 40 SER H H 40 7.900 7.900 8.325 -0.425 25502 3176 1 5 . 1 1 41 41 THR N N 41 108.208 108.208 112.067 -3.859 25502 3177 1 5 . 1 1 41 41 THR HA H 41 4.288 4.288 4.058 0.230 25502 3178 1 5 . 1 1 41 41 THR CA C 41 62.810 62.810 64.390 -1.580 25502 3179 1 5 . 1 1 41 41 THR CB C 41 69.221 69.221 69.488 -0.267 25502 3180 1 5 . 1 1 41 41 THR H H 41 7.974 7.974 8.144 -0.170 25502 3181 1 5 . 1 1 42 42 GLY N N 42 108.122 108.122 109.079 -0.957 25502 3182 1 5 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.000 0.757 25502 3183 1 5 . 1 1 42 42 GLY H H 42 7.582 7.582 7.985 -0.403 25502 3184 1 5 . 1 1 43 43 GLU N N 43 118.454 118.454 122.018 -3.564 25502 3185 1 5 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.892 0.228 25502 3186 1 5 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.517 -0.160 25502 3187 1 5 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.107 0.835 25502 3188 1 5 . 1 1 43 43 GLU H H 43 8.009 8.009 7.834 0.175 25502 3189 1 5 . 1 1 44 44 LYS N N 44 118.055 118.055 119.051 -0.996 25502 3190 1 5 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.979 0.302 25502 3191 1 5 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.125 -3.005 25502 3192 1 5 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.458 -2.162 25502 3193 1 5 . 1 1 44 44 LYS H H 44 9.102 9.102 7.563 1.539 25502 3194 1 5 . 1 1 45 45 GLY N N 45 105.305 105.305 105.152 0.153 25502 3195 1 5 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.116 -0.585 25502 3196 1 5 . 1 1 45 45 GLY H H 45 7.939 7.939 8.325 -0.386 25502 3197 1 5 . 1 1 46 46 PHE N N 46 113.461 113.461 115.923 -2.462 25502 3198 1 5 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.913 -0.289 25502 3199 1 5 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.666 -1.785 25502 3200 1 5 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.136 0.332 25502 3201 1 5 . 1 1 46 46 PHE H H 46 6.413 6.413 7.546 -1.133 25502 3202 1 5 . 1 1 47 47 GLY N N 47 104.416 104.416 108.204 -3.788 25502 3203 1 5 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.183 0.275 25502 3204 1 5 . 1 1 47 47 GLY H H 47 7.686 7.686 8.698 -1.012 25502 3205 1 5 . 1 1 48 48 TYR N N 48 113.530 113.530 119.083 -5.553 25502 3206 1 5 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.448 -0.240 25502 3207 1 5 . 1 1 48 48 TYR CA C 48 57.039 57.039 57.833 -0.794 25502 3208 1 5 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.715 -1.296 25502 3209 1 5 . 1 1 48 48 TYR H H 48 6.887 6.887 7.896 -1.009 25502 3210 1 5 . 1 1 49 49 LYS N N 49 124.631 124.631 126.088 -1.457 25502 3211 1 5 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.404 -0.809 25502 3212 1 5 . 1 1 49 49 LYS CA C 49 60.882 60.882 55.620 5.262 25502 3213 1 5 . 1 1 49 49 LYS CB C 49 31.168 31.168 30.858 0.310 25502 3214 1 5 . 1 1 49 49 LYS H H 49 8.474 8.474 8.378 0.096 25502 3215 1 5 . 1 1 50 50 GLY N N 50 117.591 117.591 109.642 7.949 25502 3216 1 5 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.690 -0.649 25502 3217 1 5 . 1 1 50 50 GLY H H 50 9.482 9.482 8.269 1.213 25502 3218 1 5 . 1 1 51 51 SER N N 51 116.156 116.156 115.957 0.199 25502 3219 1 5 . 1 1 51 51 SER HA H 51 4.658 4.658 4.251 0.407 25502 3220 1 5 . 1 1 51 51 SER CA C 51 58.682 58.682 59.925 -1.243 25502 3221 1 5 . 1 1 51 51 SER CB C 51 64.607 64.607 63.011 1.596 25502 3222 1 5 . 1 1 51 51 SER H H 51 8.397 8.397 8.584 -0.187 25502 3223 1 5 . 1 1 52 52 CYS N N 52 114.800 114.800 117.937 -3.137 25502 3224 1 5 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.864 1.031 25502 3225 1 5 . 1 1 52 52 CYS CA C 52 55.965 55.965 59.176 -3.211 25502 3226 1 5 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.473 1.246 25502 3227 1 5 . 1 1 52 52 CYS H H 52 9.858 9.858 8.194 1.664 25502 3228 1 5 . 1 1 53 53 PHE N N 53 122.839 122.839 124.995 -2.156 25502 3229 1 5 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.831 0.022 25502 3230 1 5 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.874 0.209 25502 3231 1 5 . 1 1 53 53 PHE CB C 53 38.728 38.728 38.998 -0.270 25502 3232 1 5 . 1 1 53 53 PHE H H 53 8.702 8.702 8.980 -0.278 25502 3233 1 5 . 1 1 54 54 HIS N N 54 119.944 119.944 122.553 -2.609 25502 3234 1 5 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.819 -0.113 25502 3235 1 5 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.325 1.661 25502 3236 1 5 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.930 0.414 25502 3237 1 5 . 1 1 54 54 HIS H H 54 7.623 7.623 8.756 -1.133 25502 3238 1 5 . 1 1 55 55 ARG N N 55 122.758 122.758 120.323 2.435 25502 3239 1 5 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.639 0.460 25502 3240 1 5 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.497 -1.794 25502 3241 1 5 . 1 1 55 55 ARG CB C 55 33.771 33.771 31.747 2.024 25502 3242 1 5 . 1 1 55 55 ARG H H 55 7.031 7.031 7.684 -0.653 25502 3243 1 5 . 1 1 56 56 ILE N N 56 126.170 126.170 125.978 0.192 25502 3244 1 5 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.482 0.107 25502 3245 1 5 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.530 0.921 25502 3246 1 5 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.919 -0.287 25502 3247 1 5 . 1 1 56 56 ILE H H 56 9.166 9.166 8.821 0.345 25502 3248 1 5 . 1 1 57 57 ILE N N 57 127.731 127.731 127.076 0.655 25502 3249 1 5 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.651 0.546 25502 3250 1 5 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.825 -0.211 25502 3251 1 5 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.485 0.530 25502 3252 1 5 . 1 1 57 57 ILE H H 57 8.718 8.718 8.142 0.576 25502 3253 1 5 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.531 -0.207 25502 3254 1 5 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.389 -0.439 25502 3255 1 5 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.990 1.921 25502 3256 1 5 . 1 1 59 59 GLY N N 59 113.877 113.877 109.701 4.176 25502 3257 1 5 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.701 -0.523 25502 3258 1 5 . 1 1 59 59 GLY H H 59 9.679 9.679 8.521 1.158 25502 3259 1 5 . 1 1 60 60 PHE N N 60 118.955 118.955 122.794 -3.839 25502 3260 1 5 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.906 0.187 25502 3261 1 5 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.304 -1.559 25502 3262 1 5 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.039 -3.346 25502 3263 1 5 . 1 1 60 60 PHE H H 60 8.095 8.095 7.858 0.237 25502 3264 1 5 . 1 1 61 61 MET N N 61 110.963 110.963 111.172 -0.209 25502 3265 1 5 . 1 1 61 61 MET HA H 61 5.311 5.311 5.073 0.238 25502 3266 1 5 . 1 1 61 61 MET CA C 61 54.802 54.802 55.271 -0.469 25502 3267 1 5 . 1 1 61 61 MET CB C 61 34.892 34.892 34.178 0.714 25502 3268 1 5 . 1 1 61 61 MET H H 61 8.088 8.088 7.770 0.318 25502 3269 1 5 . 1 1 62 62 CYS N N 62 114.627 114.627 120.543 -5.916 25502 3270 1 5 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.903 -0.030 25502 3271 1 5 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.153 0.182 25502 3272 1 5 . 1 1 62 62 CYS CB C 62 60.060 60.060 29.597 30.463 25502 3273 1 5 . 1 1 62 62 CYS H H 62 8.474 8.474 8.454 0.020 25502 3274 1 5 . 1 1 63 63 GLN N N 63 126.463 126.463 118.533 7.930 25502 3275 1 5 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.880 0.496 25502 3276 1 5 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.755 -1.231 25502 3277 1 5 . 1 1 63 63 GLN CB C 63 30.400 30.400 31.848 -1.448 25502 3278 1 5 . 1 1 63 63 GLN H H 63 9.651 9.651 8.437 1.214 25502 3279 1 5 . 1 1 64 64 GLY N N 64 110.531 110.531 109.228 1.303 25502 3280 1 5 . 1 1 64 64 GLY CA C 64 44.400 44.400 44.963 -0.563 25502 3281 1 5 . 1 1 64 64 GLY H H 64 7.352 7.352 7.890 -0.538 25502 3282 1 5 . 1 1 65 65 GLY N N 65 105.572 105.572 108.030 -2.458 25502 3283 1 5 . 1 1 65 65 GLY CA C 65 46.425 46.425 45.536 0.889 25502 3284 1 5 . 1 1 65 65 GLY H H 65 9.292 9.292 8.215 1.077 25502 3285 1 5 . 1 1 66 66 ASP N N 66 123.656 123.656 123.689 -0.033 25502 3286 1 5 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.715 -0.425 25502 3287 1 5 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.179 -1.674 25502 3288 1 5 . 1 1 66 66 ASP CB C 66 38.702 38.702 41.599 -2.897 25502 3289 1 5 . 1 1 66 66 ASP H H 66 9.910 9.910 8.178 1.732 25502 3290 1 5 . 1 1 67 67 PHE N N 67 115.914 115.914 120.401 -4.487 25502 3291 1 5 . 1 1 67 67 PHE HA H 67 4.597 4.597 3.739 0.858 25502 3292 1 5 . 1 1 67 67 PHE CA C 67 55.784 55.784 59.606 -3.822 25502 3293 1 5 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.223 0.134 25502 3294 1 5 . 1 1 67 67 PHE H H 67 6.624 6.624 8.205 -1.581 25502 3295 1 5 . 1 1 68 68 THR N N 68 108.853 108.853 112.040 -3.187 25502 3296 1 5 . 1 1 68 68 THR HA H 68 4.638 4.638 4.383 0.255 25502 3297 1 5 . 1 1 68 68 THR CA C 68 61.621 61.621 61.279 0.342 25502 3298 1 5 . 1 1 68 68 THR CB C 68 68.789 68.789 68.811 -0.022 25502 3299 1 5 . 1 1 68 68 THR H H 68 7.320 7.320 7.896 -0.576 25502 3300 1 5 . 1 1 69 69 ARG N N 69 121.780 121.780 123.067 -1.287 25502 3301 1 5 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.323 0.039 25502 3302 1 5 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.192 -1.164 25502 3303 1 5 . 1 1 69 69 ARG CB C 69 61.533 61.533 31.287 30.247 25502 3304 1 5 . 1 1 69 69 ARG H H 69 8.655 8.655 7.912 0.743 25502 3305 1 5 . 1 1 70 70 HIS N N 70 112.009 112.009 115.480 -3.471 25502 3306 1 5 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.268 0.130 25502 3307 1 5 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.366 0.769 25502 3308 1 5 . 1 1 70 70 HIS CB C 70 58.434 58.434 27.579 30.855 25502 3309 1 5 . 1 1 70 70 HIS H H 70 6.838 6.838 8.442 -1.604 25502 3310 1 5 . 1 1 71 71 ASN N N 71 112.340 112.340 116.590 -4.250 25502 3311 1 5 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.790 -0.195 25502 3312 1 5 . 1 1 71 71 ASN CA C 71 52.160 52.160 54.122 -1.962 25502 3313 1 5 . 1 1 71 71 ASN CB C 71 38.707 38.707 40.279 -1.573 25502 3314 1 5 . 1 1 71 71 ASN H H 71 7.519 7.519 8.277 -0.758 25502 3315 1 5 . 1 1 72 72 GLY N N 72 110.239 110.239 109.285 0.954 25502 3316 1 5 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.159 -0.586 25502 3317 1 5 . 1 1 72 72 GLY H H 72 9.619 9.619 8.496 1.123 25502 3318 1 5 . 1 1 73 73 THR N N 73 111.802 111.802 111.535 0.267 25502 3319 1 5 . 1 1 73 73 THR HA H 73 4.487 4.487 4.592 -0.105 25502 3320 1 5 . 1 1 73 73 THR CA C 73 62.070 62.070 60.185 1.885 25502 3321 1 5 . 1 1 73 73 THR CB C 73 40.762 40.762 69.564 -28.802 25502 3322 1 5 . 1 1 73 73 THR H H 73 7.930 7.930 7.930 -0.000 25502 3323 1 5 . 1 1 74 74 GLY N N 74 113.668 113.668 108.955 4.713 25502 3324 1 5 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.399 0.509 25502 3325 1 5 . 1 1 74 74 GLY H H 74 8.669 8.669 7.581 1.088 25502 3326 1 5 . 1 1 75 75 GLY N N 75 108.813 108.813 105.231 3.582 25502 3327 1 5 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.119 -1.082 25502 3328 1 5 . 1 1 75 75 GLY H H 75 8.066 8.066 7.910 0.156 25502 3329 1 5 . 1 1 76 76 LYS N N 76 115.526 115.526 120.684 -5.158 25502 3330 1 5 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.407 0.178 25502 3331 1 5 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.230 1.477 25502 3332 1 5 . 1 1 76 76 LYS CB C 76 34.515 34.515 35.291 -0.776 25502 3333 1 5 . 1 1 76 76 LYS H H 76 6.981 6.981 6.527 0.454 25502 3334 1 5 . 1 1 77 77 SER N N 77 114.105 114.105 114.144 -0.039 25502 3335 1 5 . 1 1 77 77 SER HA H 77 5.185 5.185 4.845 0.340 25502 3336 1 5 . 1 1 77 77 SER CA C 77 56.816 56.816 56.733 0.083 25502 3337 1 5 . 1 1 77 77 SER CB C 77 38.963 38.963 66.057 -27.094 25502 3338 1 5 . 1 1 78 78 ILE N N 78 110.963 110.963 121.866 -10.903 25502 3339 1 5 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.769 0.401 25502 3340 1 5 . 1 1 78 78 ILE CA C 78 63.517 63.517 64.132 -0.615 25502 3341 1 5 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.462 -0.154 25502 3342 1 5 . 1 1 78 78 ILE H H 78 8.557 8.557 9.297 -0.740 25502 3343 1 5 . 1 1 79 79 TYR N N 79 120.472 120.472 119.075 1.397 25502 3344 1 5 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.313 0.354 25502 3345 1 5 . 1 1 79 79 TYR CA C 79 56.147 56.147 59.808 -3.661 25502 3346 1 5 . 1 1 79 79 TYR CB C 79 38.725 38.725 38.852 -0.127 25502 3347 1 5 . 1 1 79 79 TYR H H 79 8.007 8.007 7.844 0.163 25502 3348 1 5 . 1 1 80 80 GLY N N 80 106.402 106.402 105.338 1.064 25502 3349 1 5 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.267 -1.519 25502 3350 1 5 . 1 1 80 80 GLY H H 80 7.115 7.115 7.465 -0.350 25502 3351 1 5 . 1 1 81 81 GLU N N 81 122.838 122.838 119.823 3.015 25502 3352 1 5 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.177 -0.231 25502 3353 1 5 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.660 1.478 25502 3354 1 5 . 1 1 81 81 GLU CB C 81 30.108 30.108 30.032 0.076 25502 3355 1 5 . 1 1 81 81 GLU H H 81 8.878 8.878 8.541 0.337 25502 3356 1 5 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.896 0.629 25502 3357 1 5 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.623 -1.848 25502 3358 1 5 . 1 1 82 82 LYS CB C 82 36.311 36.311 34.057 2.254 25502 3359 1 5 . 1 1 82 82 LYS H H 82 7.799 7.799 7.555 0.244 25502 3360 1 5 . 1 1 83 83 PHE N N 83 116.432 116.432 115.639 0.793 25502 3361 1 5 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.884 0.061 25502 3362 1 5 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.664 0.073 25502 3363 1 5 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.051 0.243 25502 3364 1 5 . 1 1 83 83 PHE H H 83 9.147 9.147 8.089 1.058 25502 3365 1 5 . 1 1 84 84 GLU N N 84 119.352 119.352 118.125 1.227 25502 3366 1 5 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.116 -0.314 25502 3367 1 5 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.967 0.230 25502 3368 1 5 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.001 -0.896 25502 3369 1 5 . 1 1 84 84 GLU H H 84 9.252 9.252 8.402 0.850 25502 3370 1 5 . 1 1 85 85 ASP N N 85 118.583 118.583 122.355 -3.772 25502 3371 1 5 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.411 -0.185 25502 3372 1 5 . 1 1 85 85 ASP CA C 85 53.974 53.974 54.747 -0.773 25502 3373 1 5 . 1 1 85 85 ASP CB C 85 40.785 40.785 42.267 -1.482 25502 3374 1 5 . 1 1 85 85 ASP H H 85 8.593 8.593 8.293 0.300 25502 3375 1 5 . 1 1 86 86 GLU N N 86 131.488 131.488 125.241 6.247 25502 3376 1 5 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.292 -0.497 25502 3377 1 5 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.388 2.885 25502 3378 1 5 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.008 0.631 25502 3379 1 5 . 1 1 86 86 GLU H H 86 9.461 9.461 8.667 0.794 25502 3380 1 5 . 1 1 87 87 ASN N N 87 106.549 106.549 112.619 -6.070 25502 3381 1 5 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.906 0.224 25502 3382 1 5 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.992 0.597 25502 3383 1 5 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.632 -0.283 25502 3384 1 5 . 1 1 87 87 ASN H H 87 7.044 7.044 7.718 -0.674 25502 3385 1 5 . 1 1 88 88 PHE N N 88 112.731 112.731 113.708 -0.977 25502 3386 1 5 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.960 0.967 25502 3387 1 5 . 1 1 88 88 PHE CA C 88 55.688 55.688 55.662 0.026 25502 3388 1 5 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.855 -0.035 25502 3389 1 5 . 1 1 88 88 PHE H H 88 8.319 8.319 7.906 0.413 25502 3390 1 5 . 1 1 89 89 ILE N N 89 119.556 119.556 120.247 -0.691 25502 3391 1 5 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.858 -0.206 25502 3392 1 5 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.864 1.023 25502 3393 1 5 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.721 1.218 25502 3394 1 5 . 1 1 89 89 ILE H H 89 8.302 8.302 7.828 0.474 25502 3395 1 5 . 1 1 90 90 LEU N N 90 116.951 116.951 121.078 -4.127 25502 3396 1 5 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.252 0.204 25502 3397 1 5 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.774 0.411 25502 3398 1 5 . 1 1 90 90 LEU CB C 90 41.910 41.910 41.292 0.618 25502 3399 1 5 . 1 1 90 90 LEU H H 90 7.746 7.746 7.845 -0.099 25502 3400 1 5 . 1 1 91 91 LYS N N 91 118.722 118.722 122.887 -4.165 25502 3401 1 5 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.254 0.374 25502 3402 1 5 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.097 -0.782 25502 3403 1 5 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.499 1.051 25502 3404 1 5 . 1 1 91 91 LYS H H 91 8.057 8.057 8.085 -0.028 25502 3405 1 5 . 1 1 92 92 HIS N N 92 122.221 122.221 121.140 1.081 25502 3406 1 5 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.313 0.029 25502 3407 1 5 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.044 -0.288 25502 3408 1 5 . 1 1 92 92 HIS CB C 92 25.895 25.895 28.257 -2.362 25502 3409 1 5 . 1 1 92 92 HIS H H 92 10.706 10.706 8.341 2.365 25502 3410 1 5 . 1 1 93 93 THR N N 93 110.178 110.178 114.083 -3.905 25502 3411 1 5 . 1 1 93 93 THR HA H 93 4.004 4.004 4.446 -0.442 25502 3412 1 5 . 1 1 93 93 THR CA C 93 63.018 63.018 61.023 1.995 25502 3413 1 5 . 1 1 93 93 THR CB C 93 69.341 69.341 69.652 -0.311 25502 3414 1 5 . 1 1 93 93 THR H H 93 7.261 7.261 7.731 -0.470 25502 3415 1 5 . 1 1 94 94 GLY N N 94 106.990 106.990 109.116 -2.126 25502 3416 1 5 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.249 1.205 25502 3417 1 5 . 1 1 94 94 GLY H H 94 7.489 7.489 7.462 0.027 25502 3418 1 5 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.648 -0.844 25502 3419 1 5 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.729 -0.190 25502 3420 1 5 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.556 29.396 25502 3421 1 5 . 1 1 96 96 GLY N N 96 109.908 109.908 107.599 2.309 25502 3422 1 5 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.793 -0.964 25502 3423 1 5 . 1 1 96 96 GLY H H 96 9.271 9.271 8.435 0.836 25502 3424 1 5 . 1 1 97 97 ILE N N 97 121.176 121.176 120.359 0.817 25502 3425 1 5 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.456 -0.341 25502 3426 1 5 . 1 1 97 97 ILE CA C 97 59.311 59.311 58.958 0.353 25502 3427 1 5 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.704 -0.946 25502 3428 1 5 . 1 1 97 97 ILE H H 97 6.765 6.765 7.355 -0.590 25502 3429 1 5 . 1 1 98 98 LEU N N 98 128.477 128.477 126.271 2.206 25502 3430 1 5 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.772 0.226 25502 3431 1 5 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.378 -0.145 25502 3432 1 5 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.267 -0.642 25502 3433 1 5 . 1 1 98 98 LEU H H 98 7.872 7.872 8.079 -0.207 25502 3434 1 5 . 1 1 99 99 SER N N 99 118.325 118.325 113.021 5.304 25502 3435 1 5 . 1 1 99 99 SER HA H 99 5.316 5.316 4.801 0.515 25502 3436 1 5 . 1 1 99 99 SER CA C 99 54.909 54.909 57.250 -2.341 25502 3437 1 5 . 1 1 99 99 SER CB C 99 65.380 65.380 64.626 0.754 25502 3438 1 5 . 1 1 99 99 SER H H 99 8.285 8.285 7.703 0.582 25502 3439 1 5 . 1 1 100 100 MET N N 100 122.826 122.826 118.050 4.776 25502 3440 1 5 . 1 1 100 100 MET HA H 100 5.259 5.259 4.513 0.746 25502 3441 1 5 . 1 1 100 100 MET CA C 100 53.800 53.800 54.677 -0.877 25502 3442 1 5 . 1 1 100 100 MET CB C 100 30.960 30.960 37.415 -6.455 25502 3443 1 5 . 1 1 100 100 MET H H 100 8.544 8.544 7.725 0.819 25502 3444 1 5 . 1 1 101 101 ALA N N 101 125.971 125.971 126.311 -0.340 25502 3445 1 5 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.573 -0.297 25502 3446 1 5 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.956 -0.458 25502 3447 1 5 . 1 1 101 101 ALA CB C 101 19.403 19.403 18.394 1.009 25502 3448 1 5 . 1 1 101 101 ALA H H 101 7.999 7.999 8.760 -0.761 25502 3449 1 5 . 1 1 102 102 ASN N N 102 113.207 113.207 120.870 -7.663 25502 3450 1 5 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.733 -0.157 25502 3451 1 5 . 1 1 102 102 ASN CA C 102 53.841 53.841 52.752 1.089 25502 3452 1 5 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.056 1.323 25502 3453 1 5 . 1 1 102 102 ASN H H 102 8.097 8.097 7.884 0.213 25502 3454 1 5 . 1 1 103 103 ALA N N 103 123.056 123.056 122.189 0.867 25502 3455 1 5 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.161 0.624 25502 3456 1 5 . 1 1 103 103 ALA CA C 103 50.154 50.154 54.256 -4.102 25502 3457 1 5 . 1 1 103 103 ALA CB C 103 19.029 19.029 18.848 0.181 25502 3458 1 5 . 1 1 103 103 ALA H H 103 8.787 8.787 8.995 -0.207 25502 3459 1 5 . 1 1 104 104 GLY N N 104 108.942 108.942 106.133 2.809 25502 3460 1 5 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.794 -1.385 25502 3461 1 5 . 1 1 104 104 GLY H H 104 8.111 8.111 8.355 -0.244 25502 3462 1 5 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.440 -0.113 25502 3463 1 5 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.140 0.743 25502 3464 1 5 . 1 1 105 105 PRO CB C 105 31.902 31.902 29.922 1.980 25502 3465 1 5 . 1 1 106 106 ASN N N 106 118.866 118.866 121.110 -2.244 25502 3466 1 5 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.369 -0.372 25502 3467 1 5 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.374 -0.271 25502 3468 1 5 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.295 -0.303 25502 3469 1 5 . 1 1 106 106 ASN H H 106 8.866 8.866 8.069 0.797 25502 3470 1 5 . 1 1 107 107 THR N N 107 109.971 109.971 107.685 2.286 25502 3471 1 5 . 1 1 107 107 THR HA H 107 4.434 4.434 3.800 0.634 25502 3472 1 5 . 1 1 107 107 THR CA C 107 60.040 60.040 63.607 -3.567 25502 3473 1 5 . 1 1 107 107 THR CB C 107 39.196 39.196 67.948 -28.752 25502 3474 1 5 . 1 1 107 107 THR H H 107 10.165 10.165 8.344 1.821 25502 3475 1 5 . 1 1 108 108 ASN N N 108 120.251 120.251 115.970 4.281 25502 3476 1 5 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.910 -0.695 25502 3477 1 5 . 1 1 108 108 ASN CA C 108 55.448 55.448 51.914 3.534 25502 3478 1 5 . 1 1 108 108 ASN CB C 108 39.600 39.600 40.017 -0.417 25502 3479 1 5 . 1 1 108 108 ASN H H 108 7.349 7.349 7.300 0.049 25502 3480 1 5 . 1 1 109 109 GLY N N 109 110.632 110.632 107.467 3.165 25502 3481 1 5 . 1 1 109 109 GLY CA C 109 46.039 46.039 44.291 1.748 25502 3482 1 5 . 1 1 109 109 GLY H H 109 9.188 9.188 7.977 1.211 25502 3483 1 5 . 1 1 110 110 SER N N 110 116.806 116.806 115.471 1.335 25502 3484 1 5 . 1 1 110 110 SER HA H 110 4.698 4.698 4.441 0.257 25502 3485 1 5 . 1 1 110 110 SER CA C 110 57.454 57.454 58.566 -1.112 25502 3486 1 5 . 1 1 110 110 SER CB C 110 65.964 65.964 63.750 2.214 25502 3487 1 5 . 1 1 110 110 SER H H 110 8.738 8.738 8.178 0.560 25502 3488 1 5 . 1 1 111 111 GLN N N 111 124.263 124.263 120.554 3.709 25502 3489 1 5 . 1 1 111 111 GLN HA H 111 5.168 5.168 3.765 1.403 25502 3490 1 5 . 1 1 111 111 GLN CA C 111 57.494 57.494 56.021 1.473 25502 3491 1 5 . 1 1 111 111 GLN CB C 111 31.632 31.632 27.881 3.751 25502 3492 1 5 . 1 1 111 111 GLN H H 111 8.388 8.388 7.887 0.501 25502 3493 1 5 . 1 1 112 112 PHE N N 112 117.560 117.560 120.250 -2.690 25502 3494 1 5 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.592 1.122 25502 3495 1 5 . 1 1 112 112 PHE CA C 112 55.447 55.447 54.712 0.735 25502 3496 1 5 . 1 1 112 112 PHE CB C 112 43.000 43.000 40.679 2.321 25502 3497 1 5 . 1 1 112 112 PHE H H 112 8.058 8.058 7.121 0.937 25502 3498 1 5 . 1 1 113 113 PHE N N 113 116.199 116.199 115.356 0.843 25502 3499 1 5 . 1 1 113 113 PHE HA H 113 5.670 5.670 5.027 0.643 25502 3500 1 5 . 1 1 113 113 PHE CA C 113 54.437 54.437 56.184 -1.747 25502 3501 1 5 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.387 1.230 25502 3502 1 5 . 1 1 113 113 PHE H H 113 9.795 9.795 7.574 2.221 25502 3503 1 5 . 1 1 114 114 ILE N N 114 118.391 118.391 120.776 -2.385 25502 3504 1 5 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.331 0.463 25502 3505 1 5 . 1 1 114 114 ILE CA C 114 60.060 60.060 60.701 -0.641 25502 3506 1 5 . 1 1 114 114 ILE CB C 114 40.162 40.162 39.930 0.232 25502 3507 1 5 . 1 1 114 114 ILE H H 114 9.098 9.098 8.768 0.330 25502 3508 1 5 . 1 1 115 115 CYS N N 115 125.271 125.271 130.001 -4.730 25502 3509 1 5 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.780 -0.028 25502 3510 1 5 . 1 1 115 115 CYS CA C 115 60.672 60.672 56.999 3.673 25502 3511 1 5 . 1 1 115 115 CYS CB C 115 58.569 58.569 25.792 32.777 25502 3512 1 5 . 1 1 115 115 CYS H H 115 9.597 9.597 8.655 0.942 25502 3513 1 5 . 1 1 116 116 THR N N 116 115.478 115.478 116.076 -0.598 25502 3514 1 5 . 1 1 116 116 THR HA H 116 4.324 4.324 4.141 0.183 25502 3515 1 5 . 1 1 116 116 THR CA C 116 60.720 60.720 63.283 -2.563 25502 3516 1 5 . 1 1 116 116 THR CB C 116 66.502 66.502 68.698 -2.196 25502 3517 1 5 . 1 1 116 116 THR H H 116 8.947 8.947 8.499 0.448 25502 3518 1 5 . 1 1 117 117 ALA N N 117 121.996 121.996 122.907 -0.911 25502 3519 1 5 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.494 -0.136 25502 3520 1 5 . 1 1 117 117 ALA CA C 117 50.511 50.511 50.835 -0.324 25502 3521 1 5 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.384 1.224 25502 3522 1 5 . 1 1 117 117 ALA H H 117 7.602 7.602 7.341 0.261 25502 3523 1 5 . 1 1 118 118 LYS N N 118 119.550 119.550 121.682 -2.132 25502 3524 1 5 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.948 -0.169 25502 3525 1 5 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.141 0.523 25502 3526 1 5 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.650 0.849 25502 3527 1 5 . 1 1 118 118 LYS H H 118 8.690 8.690 8.480 0.210 25502 3528 1 5 . 1 1 119 119 THR N N 119 118.759 118.759 117.990 0.769 25502 3529 1 5 . 1 1 119 119 THR HA H 119 3.623 3.623 1.765 1.858 25502 3530 1 5 . 1 1 119 119 THR CA C 119 57.088 57.088 58.483 -1.395 25502 3531 1 5 . 1 1 119 119 THR H H 119 7.328 7.328 7.642 -0.314 25502 3532 1 5 . 1 1 120 120 GLU N N 120 124.407 124.407 121.991 2.416 25502 3533 1 5 . 1 1 120 120 GLU HA H 120 4.120 4.120 4.010 0.110 25502 3534 1 5 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.625 0.447 25502 3535 1 5 . 1 1 120 120 GLU H H 120 9.092 9.092 7.095 1.997 25502 3536 1 5 . 1 1 121 121 TRP N N 121 117.495 117.495 119.091 -1.596 25502 3537 1 5 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.453 0.200 25502 3538 1 5 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.155 1.306 25502 3539 1 5 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.133 -1.383 25502 3540 1 5 . 1 1 121 121 TRP H H 121 7.251 7.251 7.527 -0.276 25502 3541 1 5 . 1 1 122 122 LEU N N 122 119.528 119.528 119.378 0.150 25502 3542 1 5 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.976 0.275 25502 3543 1 5 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.900 -2.400 25502 3544 1 5 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.532 -2.633 25502 3545 1 5 . 1 1 122 122 LEU H H 122 7.019 7.019 6.838 0.181 25502 3546 1 5 . 1 1 123 123 ASP N N 123 121.832 121.832 116.883 4.949 25502 3547 1 5 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.330 0.835 25502 3548 1 5 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.106 0.750 25502 3549 1 5 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.179 -0.807 25502 3550 1 5 . 1 1 123 123 ASP H H 123 7.607 7.607 7.987 -0.380 25502 3551 1 5 . 1 1 124 124 GLY N N 124 110.836 110.836 106.704 4.132 25502 3552 1 5 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.714 -0.691 25502 3553 1 5 . 1 1 124 124 GLY H H 124 9.522 9.522 8.651 0.871 25502 3554 1 5 . 1 1 125 125 LYS N N 125 115.016 115.016 117.898 -2.882 25502 3555 1 5 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.070 0.039 25502 3556 1 5 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.415 -0.167 25502 3557 1 5 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.424 2.965 25502 3558 1 5 . 1 1 125 125 LYS H H 125 7.727 7.727 8.344 -0.617 25502 3559 1 5 . 1 1 126 126 HIS N N 126 119.223 119.223 114.266 4.957 25502 3560 1 5 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.881 -0.082 25502 3561 1 5 . 1 1 126 126 HIS CA C 126 54.559 54.559 55.033 -0.474 25502 3562 1 5 . 1 1 126 126 HIS H H 126 7.571 7.571 7.616 -0.045 25502 3563 1 5 . 1 1 127 127 VAL N N 127 124.730 124.730 121.783 2.947 25502 3564 1 5 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.358 -0.100 25502 3565 1 5 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.372 2.275 25502 3566 1 5 . 1 1 127 127 VAL CB C 127 33.416 33.416 32.952 0.464 25502 3567 1 5 . 1 1 127 127 VAL H H 127 8.474 8.474 8.541 -0.067 25502 3568 1 5 . 1 1 128 128 VAL N N 128 132.814 132.814 127.899 4.915 25502 3569 1 5 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.439 -0.289 25502 3570 1 5 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.544 -1.175 25502 3571 1 5 . 1 1 128 128 VAL H H 128 9.470 9.470 8.665 0.805 25502 3572 1 5 . 1 1 129 129 PHE N N 129 117.478 117.478 120.411 -2.933 25502 3573 1 5 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.952 0.301 25502 3574 1 5 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.273 -0.366 25502 3575 1 5 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.544 2.912 25502 3576 1 5 . 1 1 129 129 PHE H H 129 8.086 8.086 8.254 -0.168 25502 3577 1 5 . 1 1 130 130 GLY N N 130 110.497 110.497 107.317 3.180 25502 3578 1 5 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.408 0.986 25502 3579 1 5 . 1 1 130 130 GLY H H 130 7.297 7.297 7.687 -0.390 25502 3580 1 5 . 1 1 131 131 LYS N N 131 115.059 115.059 117.000 -1.941 25502 3581 1 5 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.605 0.602 25502 3582 1 5 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.673 -0.878 25502 3583 1 5 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.782 0.070 25502 3584 1 5 . 1 1 131 131 LYS H H 131 8.353 8.353 8.234 0.119 25502 3585 1 5 . 1 1 132 132 VAL N N 132 123.802 123.802 124.782 -0.980 25502 3586 1 5 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.809 0.079 25502 3587 1 5 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.889 -0.942 25502 3588 1 5 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.808 1.739 25502 3589 1 5 . 1 1 132 132 VAL H H 132 9.015 9.015 8.470 0.545 25502 3590 1 5 . 1 1 133 133 LYS N N 133 131.324 131.324 128.759 2.565 25502 3591 1 5 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.190 0.234 25502 3592 1 5 . 1 1 133 133 LYS CA C 133 56.659 56.659 56.553 0.106 25502 3593 1 5 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.636 0.231 25502 3594 1 5 . 1 1 133 133 LYS H H 133 9.469 9.469 8.775 0.694 25502 3595 1 5 . 1 1 134 134 GLU N N 134 118.178 118.178 116.930 1.248 25502 3596 1 5 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.378 0.181 25502 3597 1 5 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.790 -0.642 25502 3598 1 5 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.464 0.272 25502 3599 1 5 . 1 1 134 134 GLU H H 134 7.543 7.543 7.540 0.003 25502 3600 1 5 . 1 1 135 135 GLY N N 135 107.767 107.767 110.560 -2.793 25502 3601 1 5 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.043 0.824 25502 3602 1 5 . 1 1 135 135 GLY H H 135 8.693 8.693 8.724 -0.031 25502 3603 1 5 . 1 1 136 136 MET N N 136 122.307 122.307 119.022 3.285 25502 3604 1 5 . 1 1 136 136 MET HA H 136 4.437 4.437 4.058 0.379 25502 3605 1 5 . 1 1 136 136 MET CA C 136 56.659 56.659 56.739 -0.079 25502 3606 1 5 . 1 1 136 136 MET CB C 136 30.025 30.025 31.931 -1.906 25502 3607 1 5 . 1 1 136 136 MET H H 136 8.790 8.790 8.534 0.256 25502 3608 1 5 . 1 1 137 137 ASN N N 137 114.221 114.221 117.255 -3.034 25502 3609 1 5 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.432 0.018 25502 3610 1 5 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.747 0.179 25502 3611 1 5 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.440 -1.623 25502 3612 1 5 . 1 1 137 137 ASN H H 137 8.849 8.849 8.580 0.269 25502 3613 1 5 . 1 1 138 138 ILE N N 138 123.949 123.949 119.377 4.572 25502 3614 1 5 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.906 -0.156 25502 3615 1 5 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.307 -1.976 25502 3616 1 5 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.779 -2.439 25502 3617 1 5 . 1 1 138 138 ILE H H 138 7.642 7.642 8.025 -0.383 25502 3618 1 5 . 1 1 139 139 VAL N N 139 121.654 121.654 118.876 2.778 25502 3619 1 5 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.660 0.184 25502 3620 1 5 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.769 -0.739 25502 3621 1 5 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.346 -0.370 25502 3622 1 5 . 1 1 139 139 VAL H H 139 7.244 7.244 7.483 -0.239 25502 3623 1 5 . 1 1 140 140 GLU N N 140 117.078 117.078 118.526 -1.448 25502 3624 1 5 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.060 -0.017 25502 3625 1 5 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.822 0.340 25502 3626 1 5 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.317 0.102 25502 3627 1 5 . 1 1 140 140 GLU H H 140 8.291 8.291 7.547 0.744 25502 3628 1 5 . 1 1 141 141 ALA N N 141 120.813 120.813 122.571 -1.758 25502 3629 1 5 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.108 -0.047 25502 3630 1 5 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.854 -0.125 25502 3631 1 5 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.442 -0.426 25502 3632 1 5 . 1 1 141 141 ALA H H 141 7.495 7.495 7.560 -0.065 25502 3633 1 5 . 1 1 142 142 MET N N 142 117.301 117.301 117.630 -0.329 25502 3634 1 5 . 1 1 142 142 MET HA H 142 3.938 3.938 4.261 -0.323 25502 3635 1 5 . 1 1 142 142 MET CA C 142 59.610 59.610 59.290 0.320 25502 3636 1 5 . 1 1 142 142 MET CB C 142 33.678 33.678 32.376 1.302 25502 3637 1 5 . 1 1 142 142 MET H H 142 8.259 8.259 7.966 0.293 25502 3638 1 5 . 1 1 143 143 GLU N N 143 116.052 116.052 118.158 -2.106 25502 3639 1 5 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.102 -0.386 25502 3640 1 5 . 1 1 143 143 GLU CA C 143 59.182 59.182 58.894 0.288 25502 3641 1 5 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.588 1.683 25502 3642 1 5 . 1 1 143 143 GLU H H 143 7.832 7.832 7.966 -0.134 25502 3643 1 5 . 1 1 144 144 ARG N N 144 114.357 114.357 119.650 -5.293 25502 3644 1 5 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.055 -0.133 25502 3645 1 5 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.991 -0.449 25502 3646 1 5 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.285 0.018 25502 3647 1 5 . 1 1 144 144 ARG H H 144 7.034 7.034 7.377 -0.343 25502 3648 1 5 . 1 1 145 145 PHE N N 145 115.146 115.146 116.878 -1.732 25502 3649 1 5 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.764 0.029 25502 3650 1 5 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.294 0.320 25502 3651 1 5 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.146 -0.233 25502 3652 1 5 . 1 1 145 145 PHE H H 145 7.624 7.624 7.975 -0.351 25502 3653 1 5 . 1 1 146 146 GLY N N 146 104.498 104.498 107.041 -2.543 25502 3654 1 5 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.523 0.626 25502 3655 1 5 . 1 1 146 146 GLY H H 146 7.514 7.514 7.404 0.110 25502 3656 1 5 . 1 1 147 147 SER N N 147 109.815 109.815 114.540 -4.725 25502 3657 1 5 . 1 1 147 147 SER HA H 147 4.755 4.755 4.647 0.108 25502 3658 1 5 . 1 1 147 147 SER CA C 147 58.033 58.033 56.240 1.793 25502 3659 1 5 . 1 1 147 147 SER H H 147 8.190 8.190 8.276 -0.086 25502 3660 1 5 . 1 1 148 148 ARG N N 148 119.789 119.789 127.382 -7.593 25502 3661 1 5 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.256 -0.089 25502 3662 1 5 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.806 2.685 25502 3663 1 5 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.713 1.949 25502 3664 1 5 . 1 1 148 148 ARG H H 148 8.795 8.795 8.828 -0.033 25502 3665 1 5 . 1 1 149 149 ASN N N 149 111.378 111.378 119.013 -7.635 25502 3666 1 5 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.708 0.126 25502 3667 1 5 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.301 -1.181 25502 3668 1 5 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.984 -1.743 25502 3669 1 5 . 1 1 149 149 ASN H H 149 7.841 7.841 8.655 -0.814 25502 3670 1 5 . 1 1 150 150 GLY N N 150 109.893 109.893 110.033 -0.140 25502 3671 1 5 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.560 -0.663 25502 3672 1 5 . 1 1 150 150 GLY H H 150 8.040 8.040 7.978 0.062 25502 3673 1 5 . 1 1 151 151 LYS N N 151 119.608 119.608 122.760 -3.152 25502 3674 1 5 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.103 0.302 25502 3675 1 5 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.350 -0.305 25502 3676 1 5 . 1 1 151 151 LYS CB C 151 32.269 32.269 32.723 -0.454 25502 3677 1 5 . 1 1 151 151 LYS H H 151 7.525 7.525 8.094 -0.569 25502 3678 1 5 . 1 1 152 152 THR N N 152 116.317 116.317 110.952 5.365 25502 3679 1 5 . 1 1 152 152 THR HA H 152 5.532 5.532 4.657 0.875 25502 3680 1 5 . 1 1 152 152 THR CA C 152 59.953 59.953 60.460 -0.507 25502 3681 1 5 . 1 1 152 152 THR CB C 152 71.108 71.108 71.066 0.042 25502 3682 1 5 . 1 1 152 152 THR H H 152 8.823 8.823 8.071 0.752 25502 3683 1 5 . 1 1 153 153 SER N N 153 116.804 116.804 116.288 0.516 25502 3684 1 5 . 1 1 153 153 SER HA H 153 4.456 4.456 4.506 -0.050 25502 3685 1 5 . 1 1 153 153 SER CA C 153 58.712 58.712 59.444 -0.731 25502 3686 1 5 . 1 1 153 153 SER CB C 153 63.477 63.477 63.583 -0.106 25502 3687 1 5 . 1 1 153 153 SER H H 153 9.412 9.412 8.604 0.808 25502 3688 1 5 . 1 1 154 154 LYS N N 154 119.068 119.068 123.119 -4.051 25502 3689 1 5 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.131 0.401 25502 3690 1 5 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.616 -2.216 25502 3691 1 5 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.056 5.350 25502 3692 1 5 . 1 1 154 154 LYS H H 154 7.527 7.527 8.314 -0.787 25502 3693 1 5 . 1 1 155 155 LYS N N 155 121.541 121.541 120.950 0.591 25502 3694 1 5 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.604 -0.291 25502 3695 1 5 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.252 0.895 25502 3696 1 5 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.732 -0.744 25502 3697 1 5 . 1 1 155 155 LYS H H 155 8.791 8.791 8.354 0.437 25502 3698 1 5 . 1 1 156 156 ILE N N 156 133.980 133.980 129.934 4.046 25502 3699 1 5 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.144 -0.051 25502 3700 1 5 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.859 -1.595 25502 3701 1 5 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.208 -1.368 25502 3702 1 5 . 1 1 156 156 ILE H H 156 9.606 9.606 9.015 0.591 25502 3703 1 5 . 1 1 157 157 THR N N 157 116.977 116.977 121.213 -4.236 25502 3704 1 5 . 1 1 157 157 THR HA H 157 5.274 5.274 5.142 0.132 25502 3705 1 5 . 1 1 157 157 THR CA C 157 59.475 59.475 60.391 -0.916 25502 3706 1 5 . 1 1 157 157 THR CB C 157 72.475 72.475 72.412 0.063 25502 3707 1 5 . 1 1 157 157 THR H H 157 9.233 9.233 8.883 0.350 25502 3708 1 5 . 1 1 158 158 ILE N N 158 121.529 121.529 120.464 1.065 25502 3709 1 5 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.074 -0.832 25502 3710 1 5 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.289 0.579 25502 3711 1 5 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.991 -2.201 25502 3712 1 5 . 1 1 158 158 ILE H H 158 8.580 8.580 8.886 -0.306 25502 3713 1 5 . 1 1 159 159 ALA N N 159 132.313 132.313 131.705 0.608 25502 3714 1 5 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.402 -0.278 25502 3715 1 5 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.349 0.724 25502 3716 1 5 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.851 -0.838 25502 3717 1 5 . 1 1 159 159 ALA H H 159 8.873 8.873 8.993 -0.120 25502 3718 1 5 . 1 1 160 160 ASP N N 160 111.257 111.257 116.427 -5.170 25502 3719 1 5 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.848 0.042 25502 3720 1 5 . 1 1 160 160 ASP CA C 160 52.639 52.639 52.989 -0.350 25502 3721 1 5 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.934 -0.346 25502 3722 1 5 . 1 1 160 160 ASP H H 160 8.066 8.066 8.004 0.062 25502 3723 1 5 . 1 1 161 161 CYS N N 161 115.837 115.837 118.093 -2.256 25502 3724 1 5 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.643 0.901 25502 3725 1 5 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.165 -0.017 25502 3726 1 5 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.619 0.517 25502 3727 1 5 . 1 1 161 161 CYS H H 161 8.591 8.591 8.284 0.307 25502 3728 1 5 . 1 1 162 162 GLY N N 162 103.888 103.888 108.338 -4.450 25502 3729 1 5 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.082 0.267 25502 3730 1 5 . 1 1 162 162 GLY H H 162 6.844 6.844 6.802 0.042 25502 3731 1 5 . 1 1 163 163 GLN N N 163 120.718 120.718 120.683 0.035 25502 3732 1 5 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.583 0.486 25502 3733 1 5 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.956 -2.147 25502 3734 1 5 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.352 1.238 25502 3735 1 5 . 1 1 163 163 GLN H H 163 9.066 9.066 8.475 0.591 25502 3736 1 5 . 1 1 164 164 LEU N N 164 125.816 125.816 126.494 -0.678 25502 3737 1 5 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.459 0.148 25502 3738 1 5 . 1 1 164 164 LEU CA C 164 54.739 54.739 55.990 -1.252 25502 3739 1 5 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.055 1.307 25502 3740 1 5 . 1 1 164 164 LEU H H 164 8.593 8.593 9.101 -0.508 25502 3741 1 6 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.369 -0.193 25502 3742 1 6 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.492 -1.000 25502 3743 1 6 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.569 -0.443 25502 3744 1 6 . 1 1 3 3 ASN N N 3 126.515 126.515 123.765 2.750 25502 3745 1 6 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.240 -0.103 25502 3746 1 6 . 1 1 3 3 ASN CA C 3 51.008 51.008 50.973 0.035 25502 3747 1 6 . 1 1 3 3 ASN CB C 3 37.799 37.799 40.460 -2.661 25502 3748 1 6 . 1 1 3 3 ASN H H 3 8.600 8.600 8.476 0.124 25502 3749 1 6 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.457 0.296 25502 3750 1 6 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.745 -0.076 25502 3751 1 6 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.635 0.503 25502 3752 1 6 . 1 1 5 5 THR N N 5 114.826 114.826 117.863 -3.037 25502 3753 1 6 . 1 1 5 5 THR HA H 5 5.716 5.716 5.064 0.652 25502 3754 1 6 . 1 1 5 5 THR CA C 5 60.698 60.698 61.839 -1.141 25502 3755 1 6 . 1 1 5 5 THR CB C 5 41.142 41.142 70.498 -29.356 25502 3756 1 6 . 1 1 5 5 THR H H 5 8.771 8.771 8.173 0.598 25502 3757 1 6 . 1 1 6 6 VAL N N 6 120.113 120.113 122.261 -2.148 25502 3758 1 6 . 1 1 6 6 VAL HA H 6 5.339 5.339 4.792 0.547 25502 3759 1 6 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.022 -0.225 25502 3760 1 6 . 1 1 6 6 VAL CB C 6 36.135 36.135 34.127 2.008 25502 3761 1 6 . 1 1 6 6 VAL H H 6 8.741 8.741 8.077 0.664 25502 3762 1 6 . 1 1 7 7 PHE N N 7 118.968 118.968 116.096 2.872 25502 3763 1 6 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.229 0.666 25502 3764 1 6 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.710 -0.022 25502 3765 1 6 . 1 1 7 7 PHE CB C 7 43.043 43.043 42.608 0.435 25502 3766 1 6 . 1 1 7 7 PHE H H 7 8.954 8.954 7.477 1.477 25502 3767 1 6 . 1 1 8 8 PHE N N 8 116.774 116.774 117.510 -0.736 25502 3768 1 6 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.327 0.990 25502 3769 1 6 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.298 -3.875 25502 3770 1 6 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.371 1.499 25502 3771 1 6 . 1 1 8 8 PHE H H 8 9.540 9.540 8.357 1.183 25502 3772 1 6 . 1 1 9 9 ASP N N 9 123.959 123.959 124.904 -0.945 25502 3773 1 6 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.597 0.936 25502 3774 1 6 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.206 -0.441 25502 3775 1 6 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.374 -0.062 25502 3776 1 6 . 1 1 9 9 ASP H H 9 9.266 9.266 8.364 0.902 25502 3777 1 6 . 1 1 10 10 ILE N N 10 124.122 124.122 125.214 -1.092 25502 3778 1 6 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.475 0.697 25502 3779 1 6 . 1 1 10 10 ILE CA C 10 58.159 58.159 61.269 -3.110 25502 3780 1 6 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.409 0.294 25502 3781 1 6 . 1 1 10 10 ILE H H 10 9.030 9.030 8.267 0.763 25502 3782 1 6 . 1 1 11 11 ALA N N 11 132.244 132.244 129.818 2.426 25502 3783 1 6 . 1 1 11 11 ALA HA H 11 5.165 5.165 5.306 -0.141 25502 3784 1 6 . 1 1 11 11 ALA CA C 11 50.664 50.664 49.988 0.676 25502 3785 1 6 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.398 29.163 25502 3786 1 6 . 1 1 11 11 ALA H H 11 9.603 9.603 8.999 0.604 25502 3787 1 6 . 1 1 12 12 VAL N N 12 118.199 118.199 118.418 -0.219 25502 3788 1 6 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.544 -0.033 25502 3789 1 6 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.586 -1.160 25502 3790 1 6 . 1 1 12 12 VAL CB C 12 33.181 33.181 34.028 -0.847 25502 3791 1 6 . 1 1 12 12 VAL H H 12 8.943 8.943 8.809 0.134 25502 3792 1 6 . 1 1 13 13 ASP N N 13 130.748 130.748 127.662 3.086 25502 3793 1 6 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.285 0.035 25502 3794 1 6 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.707 0.119 25502 3795 1 6 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.229 -0.394 25502 3796 1 6 . 1 1 13 13 ASP H H 13 9.846 9.846 9.058 0.788 25502 3797 1 6 . 1 1 14 14 GLY N N 14 101.493 101.493 104.483 -2.990 25502 3798 1 6 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.982 0.100 25502 3799 1 6 . 1 1 14 14 GLY H H 14 8.558 8.558 8.573 -0.015 25502 3800 1 6 . 1 1 15 15 GLU N N 15 123.014 123.014 123.711 -0.697 25502 3801 1 6 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.662 0.174 25502 3802 1 6 . 1 1 15 15 GLU CA C 15 52.753 52.753 53.303 -0.550 25502 3803 1 6 . 1 1 15 15 GLU CB C 15 30.236 30.236 29.774 0.462 25502 3804 1 6 . 1 1 15 15 GLU H H 15 8.046 8.046 7.741 0.305 25502 3805 1 6 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.527 -0.351 25502 3806 1 6 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.003 1.543 25502 3807 1 6 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.165 29.946 25502 3808 1 6 . 1 1 17 17 LEU N N 17 125.784 125.784 124.170 1.614 25502 3809 1 6 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.118 0.569 25502 3810 1 6 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.647 -1.299 25502 3811 1 6 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.531 1.626 25502 3812 1 6 . 1 1 17 17 LEU H H 17 9.189 9.189 8.952 0.237 25502 3813 1 6 . 1 1 18 18 GLY N N 18 102.200 102.200 104.849 -2.649 25502 3814 1 6 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.798 0.171 25502 3815 1 6 . 1 1 18 18 GLY H H 18 7.256 7.256 7.505 -0.249 25502 3816 1 6 . 1 1 19 19 ARG N N 19 120.995 120.995 122.112 -1.117 25502 3817 1 6 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.857 0.765 25502 3818 1 6 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.071 -0.056 25502 3819 1 6 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.259 0.081 25502 3820 1 6 . 1 1 19 19 ARG H H 19 8.320 8.320 8.338 -0.018 25502 3821 1 6 . 1 1 20 20 VAL N N 20 126.616 126.616 124.416 2.200 25502 3822 1 6 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.809 -0.206 25502 3823 1 6 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.816 -0.874 25502 3824 1 6 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.405 2.478 25502 3825 1 6 . 1 1 20 20 VAL H H 20 9.364 9.364 8.788 0.576 25502 3826 1 6 . 1 1 21 21 SER N N 21 120.061 120.061 120.947 -0.886 25502 3827 1 6 . 1 1 21 21 SER HA H 21 5.515 5.515 5.293 0.222 25502 3828 1 6 . 1 1 21 21 SER CA C 21 55.317 55.317 55.645 -0.328 25502 3829 1 6 . 1 1 21 21 SER CB C 21 36.773 36.773 65.715 -28.942 25502 3830 1 6 . 1 1 21 21 SER H H 21 8.768 8.768 7.888 0.880 25502 3831 1 6 . 1 1 22 22 PHE N N 22 118.878 118.878 117.727 1.151 25502 3832 1 6 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.317 -0.080 25502 3833 1 6 . 1 1 22 22 PHE CA C 22 55.688 55.688 57.186 -1.498 25502 3834 1 6 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.961 -1.387 25502 3835 1 6 . 1 1 22 22 PHE H H 22 9.508 9.508 9.282 0.226 25502 3836 1 6 . 1 1 23 23 GLU N N 23 122.926 122.926 122.780 0.146 25502 3837 1 6 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.588 0.161 25502 3838 1 6 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.801 0.148 25502 3839 1 6 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.670 0.959 25502 3840 1 6 . 1 1 23 23 GLU H H 23 8.740 8.740 9.055 -0.315 25502 3841 1 6 . 1 1 24 24 LEU N N 24 122.262 122.262 127.703 -5.441 25502 3842 1 6 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.584 0.113 25502 3843 1 6 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.531 -2.980 25502 3844 1 6 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.787 0.333 25502 3845 1 6 . 1 1 24 24 LEU H H 24 8.185 8.185 8.060 0.125 25502 3846 1 6 . 1 1 25 25 PHE N N 25 124.423 124.423 123.101 1.322 25502 3847 1 6 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.781 0.327 25502 3848 1 6 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.161 -2.871 25502 3849 1 6 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.501 -0.540 25502 3850 1 6 . 1 1 25 25 PHE H H 25 8.815 8.815 9.198 -0.383 25502 3851 1 6 . 1 1 26 26 ALA N N 26 128.683 128.683 125.791 2.892 25502 3852 1 6 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.261 -0.490 25502 3853 1 6 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.488 -0.202 25502 3854 1 6 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.531 0.094 25502 3855 1 6 . 1 1 26 26 ALA H H 26 8.433 8.433 8.009 0.424 25502 3856 1 6 . 1 1 27 27 ASP N N 27 114.069 114.069 116.643 -2.574 25502 3857 1 6 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.487 -0.244 25502 3858 1 6 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.375 -1.047 25502 3859 1 6 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.758 -1.903 25502 3860 1 6 . 1 1 27 27 ASP H H 27 9.052 9.052 8.259 0.793 25502 3861 1 6 . 1 1 28 28 LYS N N 28 117.763 117.763 117.769 -0.006 25502 3862 1 6 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.501 0.070 25502 3863 1 6 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.961 -0.729 25502 3864 1 6 . 1 1 28 28 LYS CB C 28 35.922 35.922 35.003 0.919 25502 3865 1 6 . 1 1 28 28 LYS H H 28 7.545 7.545 7.963 -0.418 25502 3866 1 6 . 1 1 29 29 VAL N N 29 114.212 114.212 115.894 -1.682 25502 3867 1 6 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.663 -0.212 25502 3868 1 6 . 1 1 29 29 VAL CA C 29 58.089 58.089 59.054 -0.965 25502 3869 1 6 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.726 0.019 25502 3870 1 6 . 1 1 29 29 VAL H H 29 8.368 8.368 8.252 0.116 25502 3871 1 6 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.272 0.123 25502 3872 1 6 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.581 0.502 25502 3873 1 6 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.120 -0.816 25502 3874 1 6 . 1 1 31 31 LYS N N 31 123.500 123.500 119.064 4.436 25502 3875 1 6 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.051 -0.044 25502 3876 1 6 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.983 1.373 25502 3877 1 6 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.550 0.728 25502 3878 1 6 . 1 1 31 31 LYS H H 31 10.663 10.663 8.677 1.986 25502 3879 1 6 . 1 1 32 32 THR N N 32 123.707 123.707 112.358 11.349 25502 3880 1 6 . 1 1 32 32 THR HA H 32 3.988 3.988 3.962 0.026 25502 3881 1 6 . 1 1 32 32 THR CA C 32 37.678 37.678 65.674 -27.996 25502 3882 1 6 . 1 1 32 32 THR CB C 32 38.883 38.883 68.255 -29.372 25502 3883 1 6 . 1 1 32 32 THR H H 32 10.283 10.283 7.537 2.746 25502 3884 1 6 . 1 1 33 33 ALA N N 33 125.366 125.366 124.925 0.441 25502 3885 1 6 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.462 -0.425 25502 3886 1 6 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.432 0.435 25502 3887 1 6 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.444 -0.209 25502 3888 1 6 . 1 1 33 33 ALA H H 33 9.281 9.281 8.516 0.765 25502 3889 1 6 . 1 1 34 34 GLU N N 34 117.040 117.040 117.975 -0.935 25502 3890 1 6 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.880 0.629 25502 3891 1 6 . 1 1 34 34 GLU CA C 34 57.886 57.886 60.554 -2.668 25502 3892 1 6 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.435 28.468 25502 3893 1 6 . 1 1 34 34 GLU H H 34 8.027 8.027 8.533 -0.506 25502 3894 1 6 . 1 1 35 35 ASN N N 35 115.398 115.398 117.989 -2.591 25502 3895 1 6 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.502 -0.448 25502 3896 1 6 . 1 1 35 35 ASN CA C 35 56.631 56.631 55.944 0.687 25502 3897 1 6 . 1 1 35 35 ASN CB C 35 39.465 39.465 37.928 1.537 25502 3898 1 6 . 1 1 35 35 ASN H H 35 7.139 7.139 7.404 -0.265 25502 3899 1 6 . 1 1 36 36 PHE N N 36 117.607 117.607 121.456 -3.849 25502 3900 1 6 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.328 -0.219 25502 3901 1 6 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.853 0.538 25502 3902 1 6 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.286 0.727 25502 3903 1 6 . 1 1 36 36 PHE H H 36 7.012 7.012 7.775 -0.763 25502 3904 1 6 . 1 1 37 37 ARG N N 37 120.804 120.804 120.264 0.540 25502 3905 1 6 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.951 -0.319 25502 3906 1 6 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.394 0.987 25502 3907 1 6 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.385 -0.525 25502 3908 1 6 . 1 1 37 37 ARG H H 37 8.935 8.935 8.982 -0.047 25502 3909 1 6 . 1 1 38 38 ALA N N 38 118.869 118.869 122.769 -3.900 25502 3910 1 6 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.076 -0.007 25502 3911 1 6 . 1 1 38 38 ALA CA C 38 54.340 54.340 54.894 -0.554 25502 3912 1 6 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.223 0.012 25502 3913 1 6 . 1 1 38 38 ALA H H 38 8.687 8.687 8.311 0.376 25502 3914 1 6 . 1 1 39 39 LEU N N 39 120.488 120.488 118.674 1.814 25502 3915 1 6 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.865 -0.121 25502 3916 1 6 . 1 1 39 39 LEU CA C 39 57.115 57.115 56.978 0.137 25502 3917 1 6 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.966 -0.940 25502 3918 1 6 . 1 1 39 39 LEU H H 39 8.173 8.173 7.595 0.578 25502 3919 1 6 . 1 1 40 40 SER N N 40 118.952 118.952 114.911 4.041 25502 3920 1 6 . 1 1 40 40 SER HA H 40 4.444 4.444 3.929 0.515 25502 3921 1 6 . 1 1 40 40 SER CA C 40 62.334 62.334 61.741 0.593 25502 3922 1 6 . 1 1 40 40 SER CB C 40 62.884 62.884 62.607 0.277 25502 3923 1 6 . 1 1 40 40 SER H H 40 7.900 7.900 7.865 0.035 25502 3924 1 6 . 1 1 41 41 THR N N 41 108.208 108.208 112.149 -3.941 25502 3925 1 6 . 1 1 41 41 THR HA H 41 4.288 4.288 3.941 0.347 25502 3926 1 6 . 1 1 41 41 THR CA C 41 62.810 62.810 64.452 -1.642 25502 3927 1 6 . 1 1 41 41 THR CB C 41 69.221 69.221 68.978 0.243 25502 3928 1 6 . 1 1 41 41 THR H H 41 7.974 7.974 8.218 -0.244 25502 3929 1 6 . 1 1 42 42 GLY N N 42 108.122 108.122 108.936 -0.814 25502 3930 1 6 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.349 0.408 25502 3931 1 6 . 1 1 42 42 GLY H H 42 7.582 7.582 7.618 -0.036 25502 3932 1 6 . 1 1 43 43 GLU N N 43 118.454 118.454 122.278 -3.824 25502 3933 1 6 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.909 0.211 25502 3934 1 6 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.550 -0.193 25502 3935 1 6 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.075 0.867 25502 3936 1 6 . 1 1 43 43 GLU H H 43 8.009 8.009 7.845 0.164 25502 3937 1 6 . 1 1 44 44 LYS N N 44 118.055 118.055 119.081 -1.026 25502 3938 1 6 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.977 0.304 25502 3939 1 6 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.208 -3.088 25502 3940 1 6 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.430 -2.134 25502 3941 1 6 . 1 1 44 44 LYS H H 44 9.102 9.102 7.811 1.291 25502 3942 1 6 . 1 1 45 45 GLY N N 45 105.305 105.305 105.396 -0.091 25502 3943 1 6 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.172 -0.641 25502 3944 1 6 . 1 1 45 45 GLY H H 45 7.939 7.939 8.246 -0.307 25502 3945 1 6 . 1 1 46 46 PHE N N 46 113.461 113.461 115.171 -1.710 25502 3946 1 6 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.780 -0.156 25502 3947 1 6 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.913 -2.032 25502 3948 1 6 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.015 0.453 25502 3949 1 6 . 1 1 46 46 PHE H H 46 6.413 6.413 7.514 -1.101 25502 3950 1 6 . 1 1 47 47 GLY N N 47 104.416 104.416 106.927 -2.511 25502 3951 1 6 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.718 0.740 25502 3952 1 6 . 1 1 47 47 GLY H H 47 7.686 7.686 8.567 -0.881 25502 3953 1 6 . 1 1 48 48 TYR N N 48 113.530 113.530 117.522 -3.992 25502 3954 1 6 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.780 -0.572 25502 3955 1 6 . 1 1 48 48 TYR CA C 48 57.039 57.039 55.957 1.082 25502 3956 1 6 . 1 1 48 48 TYR CB C 48 38.419 38.419 38.814 -0.395 25502 3957 1 6 . 1 1 48 48 TYR H H 48 6.887 6.887 8.005 -1.118 25502 3958 1 6 . 1 1 49 49 LYS N N 49 124.631 124.631 123.046 1.585 25502 3959 1 6 . 1 1 49 49 LYS HA H 49 3.595 3.595 3.721 -0.126 25502 3960 1 6 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.706 3.176 25502 3961 1 6 . 1 1 49 49 LYS CB C 49 31.168 31.168 31.832 -0.664 25502 3962 1 6 . 1 1 49 49 LYS H H 49 8.474 8.474 7.272 1.202 25502 3963 1 6 . 1 1 50 50 GLY N N 50 117.591 117.591 114.357 3.234 25502 3964 1 6 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.757 -0.716 25502 3965 1 6 . 1 1 50 50 GLY H H 50 9.482 9.482 8.527 0.955 25502 3966 1 6 . 1 1 51 51 SER N N 51 116.156 116.156 116.044 0.112 25502 3967 1 6 . 1 1 51 51 SER HA H 51 4.658 4.658 4.852 -0.194 25502 3968 1 6 . 1 1 51 51 SER CA C 51 58.682 58.682 57.339 1.343 25502 3969 1 6 . 1 1 51 51 SER CB C 51 64.607 64.607 66.654 -2.047 25502 3970 1 6 . 1 1 51 51 SER H H 51 8.397 8.397 7.933 0.464 25502 3971 1 6 . 1 1 52 52 CYS N N 52 114.800 114.800 121.435 -6.635 25502 3972 1 6 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.635 1.260 25502 3973 1 6 . 1 1 52 52 CYS CA C 52 55.965 55.965 59.393 -3.428 25502 3974 1 6 . 1 1 52 52 CYS CB C 52 31.719 31.719 28.571 3.148 25502 3975 1 6 . 1 1 52 52 CYS H H 52 9.858 9.858 8.722 1.136 25502 3976 1 6 . 1 1 53 53 PHE N N 53 122.839 122.839 119.518 3.321 25502 3977 1 6 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.498 0.355 25502 3978 1 6 . 1 1 53 53 PHE CA C 53 58.083 58.083 58.507 -0.424 25502 3979 1 6 . 1 1 53 53 PHE CB C 53 38.728 38.728 41.175 -2.447 25502 3980 1 6 . 1 1 53 53 PHE H H 53 8.702 8.702 7.909 0.793 25502 3981 1 6 . 1 1 54 54 HIS N N 54 119.944 119.944 119.348 0.596 25502 3982 1 6 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.621 0.085 25502 3983 1 6 . 1 1 54 54 HIS CA C 54 56.985 56.985 57.331 -0.346 25502 3984 1 6 . 1 1 54 54 HIS CB C 54 31.344 31.344 32.970 -1.626 25502 3985 1 6 . 1 1 54 54 HIS H H 54 7.623 7.623 8.338 -0.715 25502 3986 1 6 . 1 1 55 55 ARG N N 55 122.758 122.758 117.399 5.359 25502 3987 1 6 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.577 0.522 25502 3988 1 6 . 1 1 55 55 ARG CA C 55 54.703 54.703 54.823 -0.120 25502 3989 1 6 . 1 1 55 55 ARG CB C 55 33.771 33.771 34.883 -1.112 25502 3990 1 6 . 1 1 55 55 ARG H H 55 7.031 7.031 8.014 -0.983 25502 3991 1 6 . 1 1 56 56 ILE N N 56 126.170 126.170 122.764 3.406 25502 3992 1 6 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.405 0.184 25502 3993 1 6 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.084 0.367 25502 3994 1 6 . 1 1 56 56 ILE CB C 56 41.632 41.632 40.963 0.669 25502 3995 1 6 . 1 1 56 56 ILE H H 56 9.166 9.166 8.306 0.860 25502 3996 1 6 . 1 1 57 57 ILE N N 57 127.731 127.731 126.252 1.479 25502 3997 1 6 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.873 0.324 25502 3998 1 6 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.674 -0.060 25502 3999 1 6 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.962 0.053 25502 4000 1 6 . 1 1 57 57 ILE H H 57 8.718 8.718 7.808 0.910 25502 4001 1 6 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.512 -0.188 25502 4002 1 6 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.024 -0.075 25502 4003 1 6 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.953 1.958 25502 4004 1 6 . 1 1 59 59 GLY N N 59 113.877 113.877 108.683 5.194 25502 4005 1 6 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.714 -0.536 25502 4006 1 6 . 1 1 59 59 GLY H H 59 9.679 9.679 8.291 1.388 25502 4007 1 6 . 1 1 60 60 PHE N N 60 118.955 118.955 122.098 -3.143 25502 4008 1 6 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.902 0.191 25502 4009 1 6 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.369 -1.624 25502 4010 1 6 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.175 -3.482 25502 4011 1 6 . 1 1 60 60 PHE H H 60 8.095 8.095 7.878 0.217 25502 4012 1 6 . 1 1 61 61 MET N N 61 110.963 110.963 111.163 -0.200 25502 4013 1 6 . 1 1 61 61 MET HA H 61 5.311 5.311 4.988 0.323 25502 4014 1 6 . 1 1 61 61 MET CA C 61 54.802 54.802 55.190 -0.388 25502 4015 1 6 . 1 1 61 61 MET CB C 61 34.892 34.892 33.600 1.292 25502 4016 1 6 . 1 1 61 61 MET H H 61 8.088 8.088 7.764 0.324 25502 4017 1 6 . 1 1 62 62 CYS N N 62 114.627 114.627 119.422 -4.795 25502 4018 1 6 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.796 0.077 25502 4019 1 6 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.849 -0.514 25502 4020 1 6 . 1 1 62 62 CYS CB C 62 60.060 60.060 29.192 30.868 25502 4021 1 6 . 1 1 62 62 CYS H H 62 8.474 8.474 8.607 -0.133 25502 4022 1 6 . 1 1 63 63 GLN N N 63 126.463 126.463 118.602 7.861 25502 4023 1 6 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.659 0.717 25502 4024 1 6 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.357 -0.833 25502 4025 1 6 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.786 -2.386 25502 4026 1 6 . 1 1 63 63 GLN H H 63 9.651 9.651 8.874 0.777 25502 4027 1 6 . 1 1 64 64 GLY N N 64 110.531 110.531 112.396 -1.865 25502 4028 1 6 . 1 1 64 64 GLY CA C 64 44.400 44.400 43.304 1.095 25502 4029 1 6 . 1 1 64 64 GLY H H 64 7.352 7.352 7.222 0.130 25502 4030 1 6 . 1 1 65 65 GLY N N 65 105.572 105.572 107.112 -1.540 25502 4031 1 6 . 1 1 65 65 GLY CA C 65 46.425 46.425 43.475 2.950 25502 4032 1 6 . 1 1 65 65 GLY H H 65 9.292 9.292 7.771 1.521 25502 4033 1 6 . 1 1 66 66 ASP N N 66 123.656 123.656 117.248 6.408 25502 4034 1 6 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.476 -0.186 25502 4035 1 6 . 1 1 66 66 ASP CA C 66 51.505 51.505 52.924 -1.419 25502 4036 1 6 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.374 -3.672 25502 4037 1 6 . 1 1 66 66 ASP H H 66 9.910 9.910 7.880 2.030 25502 4038 1 6 . 1 1 67 67 PHE N N 67 115.914 115.914 114.378 1.536 25502 4039 1 6 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.889 -0.292 25502 4040 1 6 . 1 1 67 67 PHE CA C 67 55.784 55.784 58.661 -2.877 25502 4041 1 6 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.666 -0.309 25502 4042 1 6 . 1 1 67 67 PHE H H 67 6.624 6.624 7.941 -1.317 25502 4043 1 6 . 1 1 68 68 THR N N 68 108.853 108.853 115.184 -6.331 25502 4044 1 6 . 1 1 68 68 THR HA H 68 4.638 4.638 4.376 0.262 25502 4045 1 6 . 1 1 68 68 THR CA C 68 61.621 61.621 63.772 -2.151 25502 4046 1 6 . 1 1 68 68 THR CB C 68 68.789 68.789 69.315 -0.526 25502 4047 1 6 . 1 1 68 68 THR H H 68 7.320 7.320 7.323 -0.003 25502 4048 1 6 . 1 1 69 69 ARG N N 69 121.780 121.780 118.500 3.280 25502 4049 1 6 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.362 0.000 25502 4050 1 6 . 1 1 69 69 ARG CA C 69 55.028 55.028 55.105 -0.076 25502 4051 1 6 . 1 1 69 69 ARG CB C 69 61.533 61.533 32.754 28.779 25502 4052 1 6 . 1 1 69 69 ARG H H 69 8.655 8.655 7.594 1.061 25502 4053 1 6 . 1 1 70 70 HIS N N 70 112.009 112.009 113.055 -1.046 25502 4054 1 6 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.717 -0.319 25502 4055 1 6 . 1 1 70 70 HIS CA C 70 57.135 57.135 55.128 2.007 25502 4056 1 6 . 1 1 70 70 HIS CB C 70 58.434 58.434 30.606 27.828 25502 4057 1 6 . 1 1 70 70 HIS H H 70 6.838 6.838 7.549 -0.711 25502 4058 1 6 . 1 1 71 71 ASN N N 71 112.340 112.340 120.009 -7.669 25502 4059 1 6 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.392 0.203 25502 4060 1 6 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.426 -1.266 25502 4061 1 6 . 1 1 71 71 ASN CB C 71 38.707 38.707 37.519 1.188 25502 4062 1 6 . 1 1 71 71 ASN H H 71 7.519 7.519 8.670 -1.151 25502 4063 1 6 . 1 1 72 72 GLY N N 72 110.239 110.239 104.665 5.574 25502 4064 1 6 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.968 -1.395 25502 4065 1 6 . 1 1 72 72 GLY H H 72 9.619 9.619 8.784 0.835 25502 4066 1 6 . 1 1 73 73 THR N N 73 111.802 111.802 112.189 -0.387 25502 4067 1 6 . 1 1 73 73 THR HA H 73 4.487 4.487 4.427 0.060 25502 4068 1 6 . 1 1 73 73 THR CA C 73 62.070 62.070 62.400 -0.330 25502 4069 1 6 . 1 1 73 73 THR CB C 73 40.762 40.762 69.113 -28.351 25502 4070 1 6 . 1 1 73 73 THR H H 73 7.930 7.930 7.945 -0.015 25502 4071 1 6 . 1 1 74 74 GLY N N 74 113.668 113.668 109.152 4.516 25502 4072 1 6 . 1 1 74 74 GLY CA C 74 44.908 44.908 43.821 1.087 25502 4073 1 6 . 1 1 74 74 GLY H H 74 8.669 8.669 7.520 1.149 25502 4074 1 6 . 1 1 75 75 GLY N N 75 108.813 108.813 106.790 2.023 25502 4075 1 6 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.568 -1.530 25502 4076 1 6 . 1 1 75 75 GLY H H 75 8.066 8.066 7.997 0.069 25502 4077 1 6 . 1 1 76 76 LYS N N 76 115.526 115.526 119.875 -4.349 25502 4078 1 6 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.624 -0.039 25502 4079 1 6 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.019 0.688 25502 4080 1 6 . 1 1 76 76 LYS CB C 76 34.515 34.515 35.929 -1.414 25502 4081 1 6 . 1 1 76 76 LYS H H 76 6.981 6.981 7.976 -0.995 25502 4082 1 6 . 1 1 77 77 SER N N 77 114.105 114.105 116.092 -1.987 25502 4083 1 6 . 1 1 77 77 SER HA H 77 5.185 5.185 4.959 0.226 25502 4084 1 6 . 1 1 77 77 SER CA C 77 56.816 56.816 57.522 -0.706 25502 4085 1 6 . 1 1 77 77 SER CB C 77 38.963 38.963 61.797 -22.834 25502 4086 1 6 . 1 1 78 78 ILE N N 78 110.963 110.963 114.074 -3.111 25502 4087 1 6 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.867 0.303 25502 4088 1 6 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.292 1.224 25502 4089 1 6 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.436 0.872 25502 4090 1 6 . 1 1 78 78 ILE H H 78 8.557 8.557 7.665 0.892 25502 4091 1 6 . 1 1 79 79 TYR N N 79 120.472 120.472 121.286 -0.814 25502 4092 1 6 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.657 0.010 25502 4093 1 6 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.330 -2.183 25502 4094 1 6 . 1 1 79 79 TYR CB C 79 38.725 38.725 38.906 -0.181 25502 4095 1 6 . 1 1 79 79 TYR H H 79 8.007 8.007 7.989 0.018 25502 4096 1 6 . 1 1 80 80 GLY N N 80 106.402 106.402 109.025 -2.623 25502 4097 1 6 . 1 1 80 80 GLY CA C 80 43.748 43.748 46.515 -2.767 25502 4098 1 6 . 1 1 80 80 GLY H H 80 7.115 7.115 8.261 -1.146 25502 4099 1 6 . 1 1 81 81 GLU N N 81 122.838 122.838 122.152 0.686 25502 4100 1 6 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.661 -0.715 25502 4101 1 6 . 1 1 81 81 GLU CA C 81 60.138 60.138 56.801 3.337 25502 4102 1 6 . 1 1 81 81 GLU CB C 81 30.108 30.108 32.350 -2.242 25502 4103 1 6 . 1 1 81 81 GLU H H 81 8.878 8.878 8.329 0.549 25502 4104 1 6 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.509 1.016 25502 4105 1 6 . 1 1 82 82 LYS CA C 82 53.775 53.775 56.213 -2.438 25502 4106 1 6 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.332 2.979 25502 4107 1 6 . 1 1 82 82 LYS H H 82 7.799 7.799 7.789 0.010 25502 4108 1 6 . 1 1 83 83 PHE N N 83 116.432 116.432 113.566 2.866 25502 4109 1 6 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.775 0.170 25502 4110 1 6 . 1 1 83 83 PHE CA C 83 55.737 55.737 56.236 -0.499 25502 4111 1 6 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.663 0.631 25502 4112 1 6 . 1 1 83 83 PHE H H 83 9.147 9.147 7.976 1.171 25502 4113 1 6 . 1 1 84 84 GLU N N 84 119.352 119.352 118.452 0.900 25502 4114 1 6 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.151 -0.349 25502 4115 1 6 . 1 1 84 84 GLU CA C 84 56.197 56.197 54.767 1.430 25502 4116 1 6 . 1 1 84 84 GLU CB C 84 29.105 29.105 31.308 -2.203 25502 4117 1 6 . 1 1 84 84 GLU H H 84 9.252 9.252 8.318 0.934 25502 4118 1 6 . 1 1 85 85 ASP N N 85 118.583 118.583 120.081 -1.498 25502 4119 1 6 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.280 -0.054 25502 4120 1 6 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.358 -1.384 25502 4121 1 6 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.718 -0.933 25502 4122 1 6 . 1 1 85 85 ASP H H 85 8.593 8.593 8.116 0.477 25502 4123 1 6 . 1 1 86 86 GLU N N 86 131.488 131.488 123.221 8.267 25502 4124 1 6 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.243 -0.448 25502 4125 1 6 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.353 2.920 25502 4126 1 6 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.014 0.625 25502 4127 1 6 . 1 1 86 86 GLU H H 86 9.461 9.461 8.805 0.656 25502 4128 1 6 . 1 1 87 87 ASN N N 87 106.549 106.549 113.625 -7.076 25502 4129 1 6 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.999 0.131 25502 4130 1 6 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.874 0.715 25502 4131 1 6 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.897 -0.548 25502 4132 1 6 . 1 1 87 87 ASN H H 87 7.044 7.044 7.890 -0.846 25502 4133 1 6 . 1 1 88 88 PHE N N 88 112.731 112.731 116.796 -4.065 25502 4134 1 6 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.924 1.003 25502 4135 1 6 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.371 -0.683 25502 4136 1 6 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.708 0.112 25502 4137 1 6 . 1 1 88 88 PHE H H 88 8.319 8.319 7.999 0.320 25502 4138 1 6 . 1 1 89 89 ILE N N 89 119.556 119.556 121.985 -2.429 25502 4139 1 6 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.846 -0.194 25502 4140 1 6 . 1 1 89 89 ILE CA C 89 64.887 64.887 64.139 0.748 25502 4141 1 6 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.654 1.285 25502 4142 1 6 . 1 1 89 89 ILE H H 89 8.302 8.302 8.030 0.272 25502 4143 1 6 . 1 1 90 90 LEU N N 90 116.951 116.951 120.581 -3.630 25502 4144 1 6 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.362 0.094 25502 4145 1 6 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.385 0.800 25502 4146 1 6 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.864 1.046 25502 4147 1 6 . 1 1 90 90 LEU H H 90 7.746 7.746 7.850 -0.104 25502 4148 1 6 . 1 1 91 91 LYS N N 91 118.722 118.722 121.683 -2.961 25502 4149 1 6 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.207 0.421 25502 4150 1 6 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.712 -1.397 25502 4151 1 6 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.589 0.961 25502 4152 1 6 . 1 1 91 91 LYS H H 91 8.057 8.057 8.064 -0.007 25502 4153 1 6 . 1 1 92 92 HIS N N 92 122.221 122.221 121.145 1.076 25502 4154 1 6 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.316 0.026 25502 4155 1 6 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.350 -0.594 25502 4156 1 6 . 1 1 92 92 HIS CB C 92 25.895 25.895 28.394 -2.499 25502 4157 1 6 . 1 1 92 92 HIS H H 92 10.706 10.706 8.460 2.246 25502 4158 1 6 . 1 1 93 93 THR N N 93 110.178 110.178 113.911 -3.733 25502 4159 1 6 . 1 1 93 93 THR HA H 93 4.004 4.004 4.433 -0.429 25502 4160 1 6 . 1 1 93 93 THR CA C 93 63.018 63.018 60.073 2.945 25502 4161 1 6 . 1 1 93 93 THR CB C 93 69.341 69.341 69.609 -0.268 25502 4162 1 6 . 1 1 93 93 THR H H 93 7.261 7.261 7.750 -0.489 25502 4163 1 6 . 1 1 94 94 GLY N N 94 106.990 106.990 108.296 -1.306 25502 4164 1 6 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.329 1.125 25502 4165 1 6 . 1 1 94 94 GLY H H 94 7.489 7.489 7.336 0.153 25502 4166 1 6 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.795 -0.991 25502 4167 1 6 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.558 -0.019 25502 4168 1 6 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.357 29.595 25502 4169 1 6 . 1 1 96 96 GLY N N 96 109.908 109.908 108.134 1.774 25502 4170 1 6 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.158 -0.329 25502 4171 1 6 . 1 1 96 96 GLY H H 96 9.271 9.271 8.771 0.500 25502 4172 1 6 . 1 1 97 97 ILE N N 97 121.176 121.176 123.835 -2.659 25502 4173 1 6 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.094 0.021 25502 4174 1 6 . 1 1 97 97 ILE CA C 97 59.311 59.311 62.153 -2.841 25502 4175 1 6 . 1 1 97 97 ILE CB C 97 37.758 37.758 36.587 1.171 25502 4176 1 6 . 1 1 97 97 ILE H H 97 6.765 6.765 7.485 -0.720 25502 4177 1 6 . 1 1 98 98 LEU N N 98 128.477 128.477 127.174 1.303 25502 4178 1 6 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.798 0.200 25502 4179 1 6 . 1 1 98 98 LEU CA C 98 53.233 53.233 54.140 -0.907 25502 4180 1 6 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.889 -1.264 25502 4181 1 6 . 1 1 98 98 LEU H H 98 7.872 7.872 8.146 -0.274 25502 4182 1 6 . 1 1 99 99 SER N N 99 118.325 118.325 112.420 5.905 25502 4183 1 6 . 1 1 99 99 SER HA H 99 5.316 5.316 5.019 0.297 25502 4184 1 6 . 1 1 99 99 SER CA C 99 54.909 54.909 57.537 -2.628 25502 4185 1 6 . 1 1 99 99 SER CB C 99 65.380 65.380 64.800 0.579 25502 4186 1 6 . 1 1 99 99 SER H H 99 8.285 8.285 8.514 -0.229 25502 4187 1 6 . 1 1 100 100 MET N N 100 122.826 122.826 119.773 3.053 25502 4188 1 6 . 1 1 100 100 MET HA H 100 5.259 5.259 4.459 0.800 25502 4189 1 6 . 1 1 100 100 MET CA C 100 53.800 53.800 54.188 -0.388 25502 4190 1 6 . 1 1 100 100 MET CB C 100 30.960 30.960 36.321 -5.361 25502 4191 1 6 . 1 1 100 100 MET H H 100 8.544 8.544 8.279 0.265 25502 4192 1 6 . 1 1 101 101 ALA N N 101 125.971 125.971 125.270 0.701 25502 4193 1 6 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.316 -0.040 25502 4194 1 6 . 1 1 101 101 ALA CA C 101 51.498 51.498 50.844 0.654 25502 4195 1 6 . 1 1 101 101 ALA CB C 101 19.403 19.403 19.163 0.240 25502 4196 1 6 . 1 1 101 101 ALA H H 101 7.999 7.999 8.124 -0.125 25502 4197 1 6 . 1 1 102 102 ASN N N 102 113.207 113.207 119.635 -6.428 25502 4198 1 6 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.713 -0.137 25502 4199 1 6 . 1 1 102 102 ASN CA C 102 53.841 53.841 54.113 -0.272 25502 4200 1 6 . 1 1 102 102 ASN CB C 102 40.379 40.379 40.820 -0.441 25502 4201 1 6 . 1 1 102 102 ASN H H 102 8.097 8.097 8.256 -0.159 25502 4202 1 6 . 1 1 103 103 ALA N N 103 123.056 123.056 119.966 3.090 25502 4203 1 6 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.480 0.305 25502 4204 1 6 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.489 -2.335 25502 4205 1 6 . 1 1 103 103 ALA CB C 103 19.029 19.029 18.783 0.246 25502 4206 1 6 . 1 1 103 103 ALA H H 103 8.787 8.787 7.892 0.895 25502 4207 1 6 . 1 1 104 104 GLY N N 104 108.942 108.942 109.330 -0.388 25502 4208 1 6 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.181 -1.772 25502 4209 1 6 . 1 1 104 104 GLY H H 104 8.111 8.111 8.399 -0.288 25502 4210 1 6 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.352 -0.025 25502 4211 1 6 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.196 0.687 25502 4212 1 6 . 1 1 105 105 PRO CB C 105 31.902 31.902 29.368 2.534 25502 4213 1 6 . 1 1 106 106 ASN N N 106 118.866 118.866 115.684 3.182 25502 4214 1 6 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.481 -0.484 25502 4215 1 6 . 1 1 106 106 ASN CA C 106 54.103 54.103 53.314 0.789 25502 4216 1 6 . 1 1 106 106 ASN CB C 106 36.992 36.992 39.263 -2.271 25502 4217 1 6 . 1 1 106 106 ASN H H 106 8.866 8.866 8.262 0.604 25502 4218 1 6 . 1 1 107 107 THR N N 107 109.971 109.971 108.803 1.168 25502 4219 1 6 . 1 1 107 107 THR HA H 107 4.434 4.434 3.746 0.688 25502 4220 1 6 . 1 1 107 107 THR CA C 107 60.040 60.040 63.670 -3.630 25502 4221 1 6 . 1 1 107 107 THR CB C 107 39.196 39.196 66.960 -27.764 25502 4222 1 6 . 1 1 107 107 THR H H 107 10.165 10.165 8.872 1.293 25502 4223 1 6 . 1 1 108 108 ASN N N 108 120.251 120.251 119.678 0.573 25502 4224 1 6 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.492 -0.277 25502 4225 1 6 . 1 1 108 108 ASN CA C 108 55.448 55.448 52.726 2.722 25502 4226 1 6 . 1 1 108 108 ASN CB C 108 39.600 39.600 36.480 3.120 25502 4227 1 6 . 1 1 108 108 ASN H H 108 7.349 7.349 7.658 -0.309 25502 4228 1 6 . 1 1 109 109 GLY N N 109 110.632 110.632 109.015 1.617 25502 4229 1 6 . 1 1 109 109 GLY CA C 109 46.039 46.039 46.556 -0.517 25502 4230 1 6 . 1 1 109 109 GLY H H 109 9.188 9.188 8.278 0.910 25502 4231 1 6 . 1 1 110 110 SER N N 110 116.806 116.806 113.909 2.897 25502 4232 1 6 . 1 1 110 110 SER HA H 110 4.698 4.698 4.676 0.022 25502 4233 1 6 . 1 1 110 110 SER CA C 110 57.454 57.454 57.273 0.181 25502 4234 1 6 . 1 1 110 110 SER CB C 110 65.964 65.964 63.082 2.882 25502 4235 1 6 . 1 1 110 110 SER H H 110 8.738 8.738 8.272 0.466 25502 4236 1 6 . 1 1 111 111 GLN N N 111 124.263 124.263 120.729 3.534 25502 4237 1 6 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.391 0.777 25502 4238 1 6 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.034 3.460 25502 4239 1 6 . 1 1 111 111 GLN CB C 111 31.632 31.632 27.604 4.028 25502 4240 1 6 . 1 1 111 111 GLN H H 111 8.388 8.388 8.381 0.007 25502 4241 1 6 . 1 1 112 112 PHE N N 112 117.560 117.560 118.995 -1.435 25502 4242 1 6 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.848 1.866 25502 4243 1 6 . 1 1 112 112 PHE CA C 112 55.447 55.447 57.865 -2.418 25502 4244 1 6 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.076 3.924 25502 4245 1 6 . 1 1 112 112 PHE H H 112 8.058 8.058 7.529 0.529 25502 4246 1 6 . 1 1 113 113 PHE N N 113 116.199 116.199 113.431 2.768 25502 4247 1 6 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.787 0.883 25502 4248 1 6 . 1 1 113 113 PHE CA C 113 54.437 54.437 54.656 -0.219 25502 4249 1 6 . 1 1 113 113 PHE CB C 113 42.617 42.617 40.819 1.798 25502 4250 1 6 . 1 1 113 113 PHE H H 113 9.795 9.795 7.918 1.877 25502 4251 1 6 . 1 1 114 114 ILE N N 114 118.391 118.391 120.473 -2.082 25502 4252 1 6 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.550 0.244 25502 4253 1 6 . 1 1 114 114 ILE CA C 114 60.060 60.060 60.718 -0.658 25502 4254 1 6 . 1 1 114 114 ILE CB C 114 40.162 40.162 39.770 0.392 25502 4255 1 6 . 1 1 114 114 ILE H H 114 9.098 9.098 8.326 0.772 25502 4256 1 6 . 1 1 115 115 CYS N N 115 125.271 125.271 128.646 -3.375 25502 4257 1 6 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.437 0.315 25502 4258 1 6 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.224 2.448 25502 4259 1 6 . 1 1 115 115 CYS CB C 115 58.569 58.569 25.281 33.288 25502 4260 1 6 . 1 1 115 115 CYS H H 115 9.597 9.597 8.548 1.049 25502 4261 1 6 . 1 1 116 116 THR N N 116 115.478 115.478 116.874 -1.396 25502 4262 1 6 . 1 1 116 116 THR HA H 116 4.324 4.324 4.107 0.217 25502 4263 1 6 . 1 1 116 116 THR CA C 116 60.720 60.720 64.003 -3.283 25502 4264 1 6 . 1 1 116 116 THR CB C 116 66.502 66.502 68.717 -2.215 25502 4265 1 6 . 1 1 116 116 THR H H 116 8.947 8.947 8.408 0.539 25502 4266 1 6 . 1 1 117 117 ALA N N 117 121.996 121.996 122.767 -0.771 25502 4267 1 6 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.493 -0.135 25502 4268 1 6 . 1 1 117 117 ALA CA C 117 50.511 50.511 50.654 -0.143 25502 4269 1 6 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.396 1.212 25502 4270 1 6 . 1 1 117 117 ALA H H 117 7.602 7.602 7.358 0.244 25502 4271 1 6 . 1 1 118 118 LYS N N 118 119.550 119.550 121.895 -2.345 25502 4272 1 6 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.941 -0.162 25502 4273 1 6 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.271 0.393 25502 4274 1 6 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.413 1.086 25502 4275 1 6 . 1 1 118 118 LYS H H 118 8.690 8.690 8.484 0.206 25502 4276 1 6 . 1 1 119 119 THR N N 119 118.759 118.759 118.618 0.141 25502 4277 1 6 . 1 1 119 119 THR HA H 119 3.623 3.623 1.917 1.706 25502 4278 1 6 . 1 1 119 119 THR CA C 119 57.088 57.088 59.169 -2.081 25502 4279 1 6 . 1 1 119 119 THR H H 119 7.328 7.328 7.922 -0.594 25502 4280 1 6 . 1 1 120 120 GLU N N 120 124.407 124.407 122.213 2.194 25502 4281 1 6 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.979 0.141 25502 4282 1 6 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.352 0.719 25502 4283 1 6 . 1 1 120 120 GLU H H 120 9.092 9.092 7.202 1.890 25502 4284 1 6 . 1 1 121 121 TRP N N 121 117.495 117.495 119.259 -1.764 25502 4285 1 6 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.405 0.248 25502 4286 1 6 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.191 1.270 25502 4287 1 6 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.215 -1.465 25502 4288 1 6 . 1 1 121 121 TRP H H 121 7.251 7.251 7.466 -0.215 25502 4289 1 6 . 1 1 122 122 LEU N N 122 119.528 119.528 119.604 -0.076 25502 4290 1 6 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.998 0.253 25502 4291 1 6 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.712 -2.212 25502 4292 1 6 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.482 -2.583 25502 4293 1 6 . 1 1 122 122 LEU H H 122 7.019 7.019 6.802 0.217 25502 4294 1 6 . 1 1 123 123 ASP N N 123 121.832 121.832 117.235 4.597 25502 4295 1 6 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.318 0.847 25502 4296 1 6 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.233 0.623 25502 4297 1 6 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.101 -0.729 25502 4298 1 6 . 1 1 123 123 ASP H H 123 7.607 7.607 7.867 -0.260 25502 4299 1 6 . 1 1 124 124 GLY N N 124 110.836 110.836 106.023 4.813 25502 4300 1 6 . 1 1 124 124 GLY CA C 124 45.023 45.023 46.138 -1.115 25502 4301 1 6 . 1 1 124 124 GLY H H 124 9.522 9.522 8.725 0.797 25502 4302 1 6 . 1 1 125 125 LYS N N 125 115.016 115.016 118.012 -2.996 25502 4303 1 6 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.078 0.031 25502 4304 1 6 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.591 -0.343 25502 4305 1 6 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.534 2.855 25502 4306 1 6 . 1 1 125 125 LYS H H 125 7.727 7.727 8.305 -0.578 25502 4307 1 6 . 1 1 126 126 HIS N N 126 119.223 119.223 114.349 4.874 25502 4308 1 6 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.855 -0.056 25502 4309 1 6 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.634 -0.075 25502 4310 1 6 . 1 1 126 126 HIS H H 126 7.571 7.571 7.610 -0.039 25502 4311 1 6 . 1 1 127 127 VAL N N 127 124.730 124.730 121.376 3.354 25502 4312 1 6 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.442 -0.184 25502 4313 1 6 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.277 2.370 25502 4314 1 6 . 1 1 127 127 VAL CB C 127 33.416 33.416 32.637 0.779 25502 4315 1 6 . 1 1 127 127 VAL H H 127 8.474 8.474 8.746 -0.272 25502 4316 1 6 . 1 1 128 128 VAL N N 128 132.814 132.814 127.914 4.900 25502 4317 1 6 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.452 -0.302 25502 4318 1 6 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.724 -1.355 25502 4319 1 6 . 1 1 128 128 VAL H H 128 9.470 9.470 8.665 0.805 25502 4320 1 6 . 1 1 129 129 PHE N N 129 117.478 117.478 120.804 -3.326 25502 4321 1 6 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.024 0.229 25502 4322 1 6 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.183 -0.276 25502 4323 1 6 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.610 2.846 25502 4324 1 6 . 1 1 129 129 PHE H H 129 8.086 8.086 8.375 -0.289 25502 4325 1 6 . 1 1 130 130 GLY N N 130 110.497 110.497 107.251 3.246 25502 4326 1 6 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.503 0.891 25502 4327 1 6 . 1 1 130 130 GLY H H 130 7.297 7.297 7.736 -0.439 25502 4328 1 6 . 1 1 131 131 LYS N N 131 115.059 115.059 116.877 -1.818 25502 4329 1 6 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.922 0.285 25502 4330 1 6 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.822 -1.027 25502 4331 1 6 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.748 0.104 25502 4332 1 6 . 1 1 131 131 LYS H H 131 8.353 8.353 8.267 0.086 25502 4333 1 6 . 1 1 132 132 VAL N N 132 123.802 123.802 125.557 -1.755 25502 4334 1 6 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.961 -0.073 25502 4335 1 6 . 1 1 132 132 VAL CA C 132 63.947 63.947 65.044 -1.097 25502 4336 1 6 . 1 1 132 132 VAL CB C 132 32.547 32.547 31.564 0.983 25502 4337 1 6 . 1 1 132 132 VAL H H 132 9.015 9.015 8.563 0.452 25502 4338 1 6 . 1 1 133 133 LYS N N 133 131.324 131.324 128.426 2.898 25502 4339 1 6 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.211 0.213 25502 4340 1 6 . 1 1 133 133 LYS CA C 133 56.659 56.659 56.742 -0.083 25502 4341 1 6 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.397 0.470 25502 4342 1 6 . 1 1 133 133 LYS H H 133 9.469 9.469 8.810 0.659 25502 4343 1 6 . 1 1 134 134 GLU N N 134 118.178 118.178 115.475 2.703 25502 4344 1 6 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.417 0.142 25502 4345 1 6 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.974 -0.826 25502 4346 1 6 . 1 1 134 134 GLU CB C 134 32.736 32.736 33.051 -0.315 25502 4347 1 6 . 1 1 134 134 GLU H H 134 7.543 7.543 7.573 -0.030 25502 4348 1 6 . 1 1 135 135 GLY N N 135 107.767 107.767 110.927 -3.160 25502 4349 1 6 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.349 0.518 25502 4350 1 6 . 1 1 135 135 GLY H H 135 8.693 8.693 8.766 -0.073 25502 4351 1 6 . 1 1 136 136 MET N N 136 122.307 122.307 119.446 2.861 25502 4352 1 6 . 1 1 136 136 MET HA H 136 4.437 4.437 4.104 0.333 25502 4353 1 6 . 1 1 136 136 MET CA C 136 56.659 56.659 56.407 0.251 25502 4354 1 6 . 1 1 136 136 MET CB C 136 30.025 30.025 32.018 -1.993 25502 4355 1 6 . 1 1 136 136 MET H H 136 8.790 8.790 8.400 0.390 25502 4356 1 6 . 1 1 137 137 ASN N N 137 114.221 114.221 117.500 -3.279 25502 4357 1 6 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.436 0.014 25502 4358 1 6 . 1 1 137 137 ASN CA C 137 55.926 55.926 56.295 -0.369 25502 4359 1 6 . 1 1 137 137 ASN CB C 137 35.817 35.817 38.226 -2.409 25502 4360 1 6 . 1 1 137 137 ASN H H 137 8.849 8.849 8.476 0.373 25502 4361 1 6 . 1 1 138 138 ILE N N 138 123.949 123.949 118.706 5.243 25502 4362 1 6 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.873 -0.123 25502 4363 1 6 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.176 -1.845 25502 4364 1 6 . 1 1 138 138 ILE CB C 138 34.340 34.340 37.054 -2.714 25502 4365 1 6 . 1 1 138 138 ILE H H 138 7.642 7.642 7.608 0.034 25502 4366 1 6 . 1 1 139 139 VAL N N 139 121.654 121.654 117.951 3.703 25502 4367 1 6 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.707 0.137 25502 4368 1 6 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.255 -0.224 25502 4369 1 6 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.403 -0.427 25502 4370 1 6 . 1 1 139 139 VAL H H 139 7.244 7.244 7.746 -0.502 25502 4371 1 6 . 1 1 140 140 GLU N N 140 117.078 117.078 118.990 -1.912 25502 4372 1 6 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.191 -0.148 25502 4373 1 6 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.740 0.422 25502 4374 1 6 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.451 -0.032 25502 4375 1 6 . 1 1 140 140 GLU H H 140 8.291 8.291 7.540 0.751 25502 4376 1 6 . 1 1 141 141 ALA N N 141 120.813 120.813 122.703 -1.890 25502 4377 1 6 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.130 -0.069 25502 4378 1 6 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.774 -0.045 25502 4379 1 6 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.419 -0.403 25502 4380 1 6 . 1 1 141 141 ALA H H 141 7.495 7.495 7.727 -0.232 25502 4381 1 6 . 1 1 142 142 MET N N 142 117.301 117.301 117.772 -0.471 25502 4382 1 6 . 1 1 142 142 MET HA H 142 3.938 3.938 4.266 -0.328 25502 4383 1 6 . 1 1 142 142 MET CA C 142 59.610 59.610 59.328 0.282 25502 4384 1 6 . 1 1 142 142 MET CB C 142 33.678 33.678 32.441 1.237 25502 4385 1 6 . 1 1 142 142 MET H H 142 8.259 8.259 7.952 0.307 25502 4386 1 6 . 1 1 143 143 GLU N N 143 116.052 116.052 117.076 -1.024 25502 4387 1 6 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.036 -0.320 25502 4388 1 6 . 1 1 143 143 GLU CA C 143 59.182 59.182 58.980 0.202 25502 4389 1 6 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.752 1.519 25502 4390 1 6 . 1 1 143 143 GLU H H 143 7.832 7.832 8.151 -0.319 25502 4391 1 6 . 1 1 144 144 ARG N N 144 114.357 114.357 119.409 -5.052 25502 4392 1 6 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.040 -0.118 25502 4393 1 6 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.931 -0.389 25502 4394 1 6 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.184 0.119 25502 4395 1 6 . 1 1 144 144 ARG H H 144 7.034 7.034 7.302 -0.268 25502 4396 1 6 . 1 1 145 145 PHE N N 145 115.146 115.146 116.427 -1.281 25502 4397 1 6 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.842 -0.049 25502 4398 1 6 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.874 0.740 25502 4399 1 6 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.280 -0.367 25502 4400 1 6 . 1 1 145 145 PHE H H 145 7.624 7.624 8.145 -0.521 25502 4401 1 6 . 1 1 146 146 GLY N N 146 104.498 104.498 107.033 -2.535 25502 4402 1 6 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.498 0.650 25502 4403 1 6 . 1 1 146 146 GLY H H 146 7.514 7.514 7.417 0.097 25502 4404 1 6 . 1 1 147 147 SER N N 147 109.815 109.815 116.652 -6.837 25502 4405 1 6 . 1 1 147 147 SER HA H 147 4.755 4.755 4.813 -0.058 25502 4406 1 6 . 1 1 147 147 SER CA C 147 58.033 58.033 57.227 0.806 25502 4407 1 6 . 1 1 147 147 SER H H 147 8.190 8.190 8.715 -0.525 25502 4408 1 6 . 1 1 148 148 ARG N N 148 119.789 119.789 125.253 -5.464 25502 4409 1 6 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.006 0.161 25502 4410 1 6 . 1 1 148 148 ARG CA C 148 59.491 59.491 58.848 0.643 25502 4411 1 6 . 1 1 148 148 ARG CB C 148 29.662 29.662 29.789 -0.127 25502 4412 1 6 . 1 1 148 148 ARG H H 148 8.795 8.795 8.897 -0.102 25502 4413 1 6 . 1 1 149 149 ASN N N 149 111.378 111.378 114.847 -3.469 25502 4414 1 6 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.576 0.258 25502 4415 1 6 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.957 -1.837 25502 4416 1 6 . 1 1 149 149 ASN CB C 149 38.241 38.241 38.745 -0.504 25502 4417 1 6 . 1 1 149 149 ASN H H 149 7.841 7.841 8.157 -0.316 25502 4418 1 6 . 1 1 150 150 GLY N N 150 109.893 109.893 107.863 2.030 25502 4419 1 6 . 1 1 150 150 GLY CA C 150 44.897 44.897 44.969 -0.072 25502 4420 1 6 . 1 1 150 150 GLY H H 150 8.040 8.040 8.072 -0.032 25502 4421 1 6 . 1 1 151 151 LYS N N 151 119.608 119.608 121.623 -2.015 25502 4422 1 6 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.257 0.148 25502 4423 1 6 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.356 -0.311 25502 4424 1 6 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.030 -0.761 25502 4425 1 6 . 1 1 151 151 LYS H H 151 7.525 7.525 8.020 -0.495 25502 4426 1 6 . 1 1 152 152 THR N N 152 116.317 116.317 109.939 6.378 25502 4427 1 6 . 1 1 152 152 THR HA H 152 5.532 5.532 4.735 0.797 25502 4428 1 6 . 1 1 152 152 THR CA C 152 59.953 59.953 60.797 -0.844 25502 4429 1 6 . 1 1 152 152 THR CB C 152 71.108 71.108 71.788 -0.680 25502 4430 1 6 . 1 1 152 152 THR H H 152 8.823 8.823 8.000 0.823 25502 4431 1 6 . 1 1 153 153 SER N N 153 116.804 116.804 117.272 -0.468 25502 4432 1 6 . 1 1 153 153 SER HA H 153 4.456 4.456 4.444 0.012 25502 4433 1 6 . 1 1 153 153 SER CA C 153 58.712 58.712 60.165 -1.453 25502 4434 1 6 . 1 1 153 153 SER CB C 153 63.477 63.477 64.059 -0.582 25502 4435 1 6 . 1 1 153 153 SER H H 153 9.412 9.412 9.050 0.362 25502 4436 1 6 . 1 1 154 154 LYS N N 154 119.068 119.068 121.143 -2.075 25502 4437 1 6 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.372 0.160 25502 4438 1 6 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.008 -1.609 25502 4439 1 6 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.553 4.853 25502 4440 1 6 . 1 1 154 154 LYS H H 154 7.527 7.527 7.538 -0.011 25502 4441 1 6 . 1 1 155 155 LYS N N 155 121.541 121.541 121.908 -0.367 25502 4442 1 6 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.530 -0.217 25502 4443 1 6 . 1 1 155 155 LYS CA C 155 56.147 56.147 54.898 1.249 25502 4444 1 6 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.661 -0.673 25502 4445 1 6 . 1 1 155 155 LYS H H 155 8.791 8.791 8.461 0.330 25502 4446 1 6 . 1 1 156 156 ILE N N 156 133.980 133.980 130.179 3.801 25502 4447 1 6 . 1 1 156 156 ILE HA H 156 5.093 5.093 4.863 0.230 25502 4448 1 6 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.854 -1.590 25502 4449 1 6 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.070 -1.230 25502 4450 1 6 . 1 1 156 156 ILE H H 156 9.606 9.606 8.762 0.844 25502 4451 1 6 . 1 1 157 157 THR N N 157 116.977 116.977 119.111 -2.134 25502 4452 1 6 . 1 1 157 157 THR HA H 157 5.274 5.274 4.842 0.432 25502 4453 1 6 . 1 1 157 157 THR CA C 157 59.475 59.475 59.781 -0.306 25502 4454 1 6 . 1 1 157 157 THR CB C 157 72.475 72.475 71.593 0.882 25502 4455 1 6 . 1 1 157 157 THR H H 157 9.233 9.233 8.041 1.192 25502 4456 1 6 . 1 1 158 158 ILE N N 158 121.529 121.529 121.640 -0.111 25502 4457 1 6 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.015 -0.773 25502 4458 1 6 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.362 0.506 25502 4459 1 6 . 1 1 158 158 ILE CB C 158 36.790 36.790 39.837 -3.047 25502 4460 1 6 . 1 1 158 158 ILE H H 158 8.580 8.580 8.469 0.111 25502 4461 1 6 . 1 1 159 159 ALA N N 159 132.313 132.313 130.884 1.429 25502 4462 1 6 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.324 -0.200 25502 4463 1 6 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.596 0.477 25502 4464 1 6 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.793 -0.780 25502 4465 1 6 . 1 1 159 159 ALA H H 159 8.873 8.873 8.915 -0.042 25502 4466 1 6 . 1 1 160 160 ASP N N 160 111.257 111.257 116.530 -5.273 25502 4467 1 6 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.790 0.100 25502 4468 1 6 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.602 -0.963 25502 4469 1 6 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.373 0.214 25502 4470 1 6 . 1 1 160 160 ASP H H 160 8.066 8.066 7.852 0.214 25502 4471 1 6 . 1 1 161 161 CYS N N 161 115.837 115.837 118.905 -3.068 25502 4472 1 6 . 1 1 161 161 CYS HA H 161 4.544 4.544 4.074 0.470 25502 4473 1 6 . 1 1 161 161 CYS CA C 161 55.148 55.148 56.169 -1.021 25502 4474 1 6 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.828 -0.691 25502 4475 1 6 . 1 1 161 161 CYS H H 161 8.591 8.591 8.355 0.236 25502 4476 1 6 . 1 1 162 162 GLY N N 162 103.888 103.888 107.763 -3.875 25502 4477 1 6 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.152 0.197 25502 4478 1 6 . 1 1 162 162 GLY H H 162 6.844 6.844 7.702 -0.858 25502 4479 1 6 . 1 1 163 163 GLN N N 163 120.718 120.718 121.227 -0.509 25502 4480 1 6 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.064 1.005 25502 4481 1 6 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.565 -1.756 25502 4482 1 6 . 1 1 163 163 GLN CB C 163 30.590 30.590 28.303 2.287 25502 4483 1 6 . 1 1 163 163 GLN H H 163 9.066 9.066 8.439 0.627 25502 4484 1 6 . 1 1 164 164 LEU N N 164 125.816 125.816 127.701 -1.885 25502 4485 1 6 . 1 1 164 164 LEU HA H 164 4.607 4.607 3.930 0.677 25502 4486 1 6 . 1 1 164 164 LEU CA C 164 54.739 54.739 57.342 -2.603 25502 4487 1 6 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.316 2.046 25502 4488 1 6 . 1 1 164 164 LEU H H 164 8.593 8.593 9.014 -0.421 25502 4489 1 7 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.496 -0.320 25502 4490 1 7 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.252 -0.760 25502 4491 1 7 . 1 1 2 2 VAL CB C 2 33.126 33.126 34.888 -1.762 25502 4492 1 7 . 1 1 3 3 ASN N N 3 126.515 126.515 124.650 1.865 25502 4493 1 7 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.236 -0.099 25502 4494 1 7 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.766 -0.758 25502 4495 1 7 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.792 -1.993 25502 4496 1 7 . 1 1 3 3 ASN H H 3 8.600 8.600 8.647 -0.047 25502 4497 1 7 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.681 0.072 25502 4498 1 7 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.971 -0.302 25502 4499 1 7 . 1 1 4 4 PRO CB C 4 33.138 33.138 33.052 0.086 25502 4500 1 7 . 1 1 5 5 THR N N 5 114.826 114.826 116.064 -1.238 25502 4501 1 7 . 1 1 5 5 THR HA H 5 5.716 5.716 4.960 0.756 25502 4502 1 7 . 1 1 5 5 THR CA C 5 60.698 60.698 61.473 -0.775 25502 4503 1 7 . 1 1 5 5 THR CB C 5 41.142 41.142 71.760 -30.618 25502 4504 1 7 . 1 1 5 5 THR H H 5 8.771 8.771 8.176 0.595 25502 4505 1 7 . 1 1 6 6 VAL N N 6 120.113 120.113 124.658 -4.545 25502 4506 1 7 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.554 -0.215 25502 4507 1 7 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.006 -0.209 25502 4508 1 7 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.507 0.628 25502 4509 1 7 . 1 1 6 6 VAL H H 6 8.741 8.741 8.519 0.222 25502 4510 1 7 . 1 1 7 7 PHE N N 7 118.968 118.968 123.484 -4.516 25502 4511 1 7 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.128 0.767 25502 4512 1 7 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.004 0.684 25502 4513 1 7 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.702 1.341 25502 4514 1 7 . 1 1 7 7 PHE H H 7 8.954 8.954 8.076 0.878 25502 4515 1 7 . 1 1 8 8 PHE N N 8 116.774 116.774 120.383 -3.609 25502 4516 1 7 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.650 0.667 25502 4517 1 7 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.272 -3.849 25502 4518 1 7 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.427 1.443 25502 4519 1 7 . 1 1 8 8 PHE H H 8 9.540 9.540 8.648 0.892 25502 4520 1 7 . 1 1 9 9 ASP N N 9 123.959 123.959 124.513 -0.554 25502 4521 1 7 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.640 0.893 25502 4522 1 7 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.593 -0.828 25502 4523 1 7 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.212 0.101 25502 4524 1 7 . 1 1 9 9 ASP H H 9 9.266 9.266 8.856 0.410 25502 4525 1 7 . 1 1 10 10 ILE N N 10 124.122 124.122 126.627 -2.505 25502 4526 1 7 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.556 0.616 25502 4527 1 7 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.066 -1.907 25502 4528 1 7 . 1 1 10 10 ILE CB C 10 37.703 37.703 36.769 0.934 25502 4529 1 7 . 1 1 10 10 ILE H H 10 9.030 9.030 8.303 0.727 25502 4530 1 7 . 1 1 11 11 ALA N N 11 132.244 132.244 131.556 0.688 25502 4531 1 7 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.852 0.313 25502 4532 1 7 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.190 0.474 25502 4533 1 7 . 1 1 11 11 ALA CB C 11 52.561 52.561 22.854 29.707 25502 4534 1 7 . 1 1 11 11 ALA H H 11 9.603 9.603 9.148 0.455 25502 4535 1 7 . 1 1 12 12 VAL N N 12 118.199 118.199 120.856 -2.657 25502 4536 1 7 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.878 -0.367 25502 4537 1 7 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.116 0.310 25502 4538 1 7 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.454 0.727 25502 4539 1 7 . 1 1 12 12 VAL H H 12 8.943 8.943 8.726 0.217 25502 4540 1 7 . 1 1 13 13 ASP N N 13 130.748 130.748 130.073 0.675 25502 4541 1 7 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.269 0.051 25502 4542 1 7 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.401 0.424 25502 4543 1 7 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.062 -0.227 25502 4544 1 7 . 1 1 13 13 ASP H H 13 9.846 9.846 8.907 0.939 25502 4545 1 7 . 1 1 14 14 GLY N N 14 101.493 101.493 103.697 -2.204 25502 4546 1 7 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.965 0.117 25502 4547 1 7 . 1 1 14 14 GLY H H 14 8.558 8.558 8.637 -0.079 25502 4548 1 7 . 1 1 15 15 GLU N N 15 123.014 123.014 123.474 -0.460 25502 4549 1 7 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.702 0.134 25502 4550 1 7 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.770 -0.017 25502 4551 1 7 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.280 -0.044 25502 4552 1 7 . 1 1 15 15 GLU H H 15 8.046 8.046 7.660 0.386 25502 4553 1 7 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.579 -0.403 25502 4554 1 7 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.008 1.538 25502 4555 1 7 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.417 29.694 25502 4556 1 7 . 1 1 17 17 LEU N N 17 125.784 125.784 123.928 1.856 25502 4557 1 7 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.087 0.600 25502 4558 1 7 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.672 -1.324 25502 4559 1 7 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.517 1.640 25502 4560 1 7 . 1 1 17 17 LEU H H 17 9.189 9.189 8.975 0.214 25502 4561 1 7 . 1 1 18 18 GLY N N 18 102.200 102.200 104.707 -2.507 25502 4562 1 7 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.942 0.027 25502 4563 1 7 . 1 1 18 18 GLY H H 18 7.256 7.256 7.364 -0.108 25502 4564 1 7 . 1 1 19 19 ARG N N 19 120.995 120.995 122.170 -1.175 25502 4565 1 7 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.757 0.865 25502 4566 1 7 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.248 -0.234 25502 4567 1 7 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.688 0.652 25502 4568 1 7 . 1 1 19 19 ARG H H 19 8.320 8.320 8.306 0.014 25502 4569 1 7 . 1 1 20 20 VAL N N 20 126.616 126.616 124.290 2.326 25502 4570 1 7 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.819 -0.216 25502 4571 1 7 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.706 -1.765 25502 4572 1 7 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.405 1.478 25502 4573 1 7 . 1 1 20 20 VAL H H 20 9.364 9.364 8.675 0.689 25502 4574 1 7 . 1 1 21 21 SER N N 21 120.061 120.061 120.352 -0.291 25502 4575 1 7 . 1 1 21 21 SER HA H 21 5.515 5.515 5.233 0.282 25502 4576 1 7 . 1 1 21 21 SER CA C 21 55.317 55.317 55.570 -0.253 25502 4577 1 7 . 1 1 21 21 SER CB C 21 36.773 36.773 65.794 -29.021 25502 4578 1 7 . 1 1 21 21 SER H H 21 8.768 8.768 7.919 0.849 25502 4579 1 7 . 1 1 22 22 PHE N N 22 118.878 118.878 117.447 1.431 25502 4580 1 7 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.361 -0.124 25502 4581 1 7 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.820 -1.132 25502 4582 1 7 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.331 -0.757 25502 4583 1 7 . 1 1 22 22 PHE H H 22 9.508 9.508 9.286 0.222 25502 4584 1 7 . 1 1 23 23 GLU N N 23 122.926 122.926 123.448 -0.522 25502 4585 1 7 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.615 0.134 25502 4586 1 7 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.901 0.048 25502 4587 1 7 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.451 1.178 25502 4588 1 7 . 1 1 23 23 GLU H H 23 8.740 8.740 9.026 -0.286 25502 4589 1 7 . 1 1 24 24 LEU N N 24 122.262 122.262 127.944 -5.682 25502 4590 1 7 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.531 0.166 25502 4591 1 7 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.523 -2.972 25502 4592 1 7 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.705 0.415 25502 4593 1 7 . 1 1 24 24 LEU H H 24 8.185 8.185 7.965 0.220 25502 4594 1 7 . 1 1 25 25 PHE N N 25 124.423 124.423 124.233 0.190 25502 4595 1 7 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.718 0.390 25502 4596 1 7 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.045 -2.755 25502 4597 1 7 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.446 -0.485 25502 4598 1 7 . 1 1 25 25 PHE H H 25 8.815 8.815 9.229 -0.414 25502 4599 1 7 . 1 1 26 26 ALA N N 26 128.683 128.683 125.391 3.292 25502 4600 1 7 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.348 -0.577 25502 4601 1 7 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.478 -0.192 25502 4602 1 7 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.424 0.201 25502 4603 1 7 . 1 1 26 26 ALA H H 26 8.433 8.433 7.990 0.443 25502 4604 1 7 . 1 1 27 27 ASP N N 27 114.069 114.069 117.687 -3.618 25502 4605 1 7 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.553 -0.310 25502 4606 1 7 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.476 -1.148 25502 4607 1 7 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.255 -2.400 25502 4608 1 7 . 1 1 27 27 ASP H H 27 9.052 9.052 8.102 0.950 25502 4609 1 7 . 1 1 28 28 LYS N N 28 117.763 117.763 117.258 0.505 25502 4610 1 7 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.463 0.108 25502 4611 1 7 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.961 -0.729 25502 4612 1 7 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.660 1.262 25502 4613 1 7 . 1 1 28 28 LYS H H 28 7.545 7.545 8.046 -0.501 25502 4614 1 7 . 1 1 29 29 VAL N N 29 114.212 114.212 115.098 -0.886 25502 4615 1 7 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.641 -0.190 25502 4616 1 7 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.782 -0.693 25502 4617 1 7 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.435 0.310 25502 4618 1 7 . 1 1 29 29 VAL H H 29 8.368 8.368 8.260 0.108 25502 4619 1 7 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.354 0.041 25502 4620 1 7 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.410 0.673 25502 4621 1 7 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.772 -0.468 25502 4622 1 7 . 1 1 31 31 LYS N N 31 123.500 123.500 118.928 4.572 25502 4623 1 7 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.013 -0.006 25502 4624 1 7 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.339 1.017 25502 4625 1 7 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.316 0.963 25502 4626 1 7 . 1 1 31 31 LYS H H 31 10.663 10.663 8.629 2.034 25502 4627 1 7 . 1 1 32 32 THR N N 32 123.707 123.707 113.600 10.107 25502 4628 1 7 . 1 1 32 32 THR HA H 32 3.988 3.988 4.132 -0.144 25502 4629 1 7 . 1 1 32 32 THR CA C 32 37.678 37.678 65.663 -27.985 25502 4630 1 7 . 1 1 32 32 THR CB C 32 38.883 38.883 68.585 -29.702 25502 4631 1 7 . 1 1 32 32 THR H H 32 10.283 10.283 7.704 2.579 25502 4632 1 7 . 1 1 33 33 ALA N N 33 125.366 125.366 124.316 1.050 25502 4633 1 7 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.243 -0.206 25502 4634 1 7 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.297 0.570 25502 4635 1 7 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.335 -0.101 25502 4636 1 7 . 1 1 33 33 ALA H H 33 9.281 9.281 8.396 0.885 25502 4637 1 7 . 1 1 34 34 GLU N N 34 117.040 117.040 118.412 -1.372 25502 4638 1 7 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.920 0.589 25502 4639 1 7 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.948 -2.062 25502 4640 1 7 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.514 28.389 25502 4641 1 7 . 1 1 34 34 GLU H H 34 8.027 8.027 8.415 -0.388 25502 4642 1 7 . 1 1 35 35 ASN N N 35 115.398 115.398 118.148 -2.750 25502 4643 1 7 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.466 -0.412 25502 4644 1 7 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.188 0.443 25502 4645 1 7 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.408 1.057 25502 4646 1 7 . 1 1 35 35 ASN H H 35 7.139 7.139 7.678 -0.539 25502 4647 1 7 . 1 1 36 36 PHE N N 36 117.607 117.607 121.023 -3.416 25502 4648 1 7 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.363 -0.254 25502 4649 1 7 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.794 0.597 25502 4650 1 7 . 1 1 36 36 PHE CB C 36 40.013 40.013 38.987 1.026 25502 4651 1 7 . 1 1 36 36 PHE H H 36 7.012 7.012 7.755 -0.743 25502 4652 1 7 . 1 1 37 37 ARG N N 37 120.804 120.804 120.161 0.643 25502 4653 1 7 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.086 -0.454 25502 4654 1 7 . 1 1 37 37 ARG CA C 37 60.381 60.381 58.776 1.605 25502 4655 1 7 . 1 1 37 37 ARG CB C 37 29.860 29.860 29.801 0.059 25502 4656 1 7 . 1 1 37 37 ARG H H 37 8.935 8.935 8.610 0.325 25502 4657 1 7 . 1 1 38 38 ALA N N 38 118.869 118.869 123.246 -4.377 25502 4658 1 7 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.095 -0.026 25502 4659 1 7 . 1 1 38 38 ALA CA C 38 54.340 54.340 54.972 -0.632 25502 4660 1 7 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.292 -0.057 25502 4661 1 7 . 1 1 38 38 ALA H H 38 8.687 8.687 8.174 0.513 25502 4662 1 7 . 1 1 39 39 LEU N N 39 120.488 120.488 118.666 1.822 25502 4663 1 7 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.801 -0.057 25502 4664 1 7 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.577 -0.462 25502 4665 1 7 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.730 -0.704 25502 4666 1 7 . 1 1 39 39 LEU H H 39 8.173 8.173 8.082 0.091 25502 4667 1 7 . 1 1 40 40 SER N N 40 118.952 118.952 114.058 4.894 25502 4668 1 7 . 1 1 40 40 SER HA H 40 4.444 4.444 3.789 0.655 25502 4669 1 7 . 1 1 40 40 SER CA C 40 62.334 62.334 61.616 0.718 25502 4670 1 7 . 1 1 40 40 SER CB C 40 62.884 62.884 62.714 0.170 25502 4671 1 7 . 1 1 40 40 SER H H 40 7.900 7.900 7.848 0.052 25502 4672 1 7 . 1 1 41 41 THR N N 41 108.208 108.208 110.310 -2.102 25502 4673 1 7 . 1 1 41 41 THR HA H 41 4.288 4.288 4.103 0.185 25502 4674 1 7 . 1 1 41 41 THR CA C 41 62.810 62.810 64.377 -1.567 25502 4675 1 7 . 1 1 41 41 THR CB C 41 69.221 69.221 69.333 -0.112 25502 4676 1 7 . 1 1 41 41 THR H H 41 7.974 7.974 7.965 0.009 25502 4677 1 7 . 1 1 42 42 GLY N N 42 108.122 108.122 110.856 -2.734 25502 4678 1 7 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.444 0.313 25502 4679 1 7 . 1 1 42 42 GLY H H 42 7.582 7.582 7.827 -0.245 25502 4680 1 7 . 1 1 43 43 GLU N N 43 118.454 118.454 121.469 -3.015 25502 4681 1 7 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.991 0.129 25502 4682 1 7 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.013 0.344 25502 4683 1 7 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.111 0.831 25502 4684 1 7 . 1 1 43 43 GLU H H 43 8.009 8.009 7.785 0.224 25502 4685 1 7 . 1 1 44 44 LYS N N 44 118.055 118.055 119.239 -1.184 25502 4686 1 7 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.896 0.385 25502 4687 1 7 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.575 -3.455 25502 4688 1 7 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.284 -1.988 25502 4689 1 7 . 1 1 44 44 LYS H H 44 9.102 9.102 7.892 1.210 25502 4690 1 7 . 1 1 45 45 GLY N N 45 105.305 105.305 105.593 -0.288 25502 4691 1 7 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.227 -0.697 25502 4692 1 7 . 1 1 45 45 GLY H H 45 7.939 7.939 7.994 -0.055 25502 4693 1 7 . 1 1 46 46 PHE N N 46 113.461 113.461 117.457 -3.996 25502 4694 1 7 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.679 -0.055 25502 4695 1 7 . 1 1 46 46 PHE CA C 46 53.881 53.881 57.022 -3.141 25502 4696 1 7 . 1 1 46 46 PHE CB C 46 39.468 39.468 38.896 0.572 25502 4697 1 7 . 1 1 46 46 PHE H H 46 6.413 6.413 7.404 -0.991 25502 4698 1 7 . 1 1 47 47 GLY N N 47 104.416 104.416 110.414 -5.998 25502 4699 1 7 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.614 -0.155 25502 4700 1 7 . 1 1 47 47 GLY H H 47 7.686 7.686 6.850 0.836 25502 4701 1 7 . 1 1 48 48 TYR N N 48 113.530 113.530 120.267 -6.737 25502 4702 1 7 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.516 -0.308 25502 4703 1 7 . 1 1 48 48 TYR CA C 48 57.039 57.039 58.215 -1.176 25502 4704 1 7 . 1 1 48 48 TYR CB C 48 38.419 38.419 38.871 -0.452 25502 4705 1 7 . 1 1 48 48 TYR H H 48 6.887 6.887 8.360 -1.473 25502 4706 1 7 . 1 1 49 49 LYS N N 49 124.631 124.631 126.914 -2.283 25502 4707 1 7 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.467 -0.872 25502 4708 1 7 . 1 1 49 49 LYS CA C 49 60.882 60.882 56.058 4.824 25502 4709 1 7 . 1 1 49 49 LYS CB C 49 31.168 31.168 33.533 -2.365 25502 4710 1 7 . 1 1 49 49 LYS H H 49 8.474 8.474 8.259 0.215 25502 4711 1 7 . 1 1 50 50 GLY N N 50 117.591 117.591 112.632 4.959 25502 4712 1 7 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.808 -0.767 25502 4713 1 7 . 1 1 50 50 GLY H H 50 9.482 9.482 9.006 0.476 25502 4714 1 7 . 1 1 51 51 SER N N 51 116.156 116.156 114.614 1.542 25502 4715 1 7 . 1 1 51 51 SER HA H 51 4.658 4.658 4.535 0.123 25502 4716 1 7 . 1 1 51 51 SER CA C 51 58.682 58.682 57.497 1.185 25502 4717 1 7 . 1 1 51 51 SER CB C 51 64.607 64.607 63.099 1.508 25502 4718 1 7 . 1 1 51 51 SER H H 51 8.397 8.397 8.402 -0.005 25502 4719 1 7 . 1 1 52 52 CYS N N 52 114.800 114.800 118.047 -3.247 25502 4720 1 7 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.134 1.761 25502 4721 1 7 . 1 1 52 52 CYS CA C 52 55.965 55.965 60.744 -4.779 25502 4722 1 7 . 1 1 52 52 CYS CB C 52 31.719 31.719 27.487 4.232 25502 4723 1 7 . 1 1 52 52 CYS H H 52 9.858 9.858 7.783 2.075 25502 4724 1 7 . 1 1 53 53 PHE N N 53 122.839 122.839 120.392 2.447 25502 4725 1 7 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.950 -0.097 25502 4726 1 7 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.413 0.670 25502 4727 1 7 . 1 1 53 53 PHE CB C 53 38.728 38.728 41.769 -3.041 25502 4728 1 7 . 1 1 53 53 PHE H H 53 8.702 8.702 8.239 0.463 25502 4729 1 7 . 1 1 54 54 HIS N N 54 119.944 119.944 120.454 -0.510 25502 4730 1 7 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.738 -0.032 25502 4731 1 7 . 1 1 54 54 HIS CA C 54 56.985 56.985 57.105 -0.120 25502 4732 1 7 . 1 1 54 54 HIS CB C 54 31.344 31.344 33.282 -1.938 25502 4733 1 7 . 1 1 54 54 HIS H H 54 7.623 7.623 7.954 -0.331 25502 4734 1 7 . 1 1 55 55 ARG N N 55 122.758 122.758 118.677 4.081 25502 4735 1 7 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.667 0.432 25502 4736 1 7 . 1 1 55 55 ARG CA C 55 54.703 54.703 55.076 -0.373 25502 4737 1 7 . 1 1 55 55 ARG CB C 55 33.771 33.771 34.673 -0.902 25502 4738 1 7 . 1 1 55 55 ARG H H 55 7.031 7.031 8.091 -1.060 25502 4739 1 7 . 1 1 56 56 ILE N N 56 126.170 126.170 122.338 3.832 25502 4740 1 7 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.505 0.084 25502 4741 1 7 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.343 0.108 25502 4742 1 7 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.781 -0.149 25502 4743 1 7 . 1 1 56 56 ILE H H 56 9.166 9.166 8.280 0.886 25502 4744 1 7 . 1 1 57 57 ILE N N 57 127.731 127.731 126.232 1.499 25502 4745 1 7 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.989 0.208 25502 4746 1 7 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.640 -0.026 25502 4747 1 7 . 1 1 57 57 ILE CB C 57 40.015 40.015 40.461 -0.446 25502 4748 1 7 . 1 1 57 57 ILE H H 57 8.718 8.718 8.102 0.616 25502 4749 1 7 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.559 -0.235 25502 4750 1 7 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.433 -0.484 25502 4751 1 7 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.975 1.936 25502 4752 1 7 . 1 1 59 59 GLY N N 59 113.877 113.877 109.068 4.809 25502 4753 1 7 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.568 -0.390 25502 4754 1 7 . 1 1 59 59 GLY H H 59 9.679 9.679 8.675 1.004 25502 4755 1 7 . 1 1 60 60 PHE N N 60 118.955 118.955 121.824 -2.869 25502 4756 1 7 . 1 1 60 60 PHE HA H 60 5.093 5.093 5.126 -0.033 25502 4757 1 7 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.034 -1.289 25502 4758 1 7 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.380 -2.687 25502 4759 1 7 . 1 1 60 60 PHE H H 60 8.095 8.095 7.883 0.212 25502 4760 1 7 . 1 1 61 61 MET N N 61 110.963 110.963 110.964 -0.001 25502 4761 1 7 . 1 1 61 61 MET HA H 61 5.311 5.311 4.941 0.370 25502 4762 1 7 . 1 1 61 61 MET CA C 61 54.802 54.802 55.400 -0.598 25502 4763 1 7 . 1 1 61 61 MET CB C 61 34.892 34.892 33.369 1.523 25502 4764 1 7 . 1 1 61 61 MET H H 61 8.088 8.088 7.770 0.318 25502 4765 1 7 . 1 1 62 62 CYS N N 62 114.627 114.627 119.277 -4.650 25502 4766 1 7 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.675 0.198 25502 4767 1 7 . 1 1 62 62 CYS CA C 62 57.335 57.335 58.538 -1.204 25502 4768 1 7 . 1 1 62 62 CYS CB C 62 60.060 60.060 29.795 30.265 25502 4769 1 7 . 1 1 62 62 CYS H H 62 8.474 8.474 8.474 0.000 25502 4770 1 7 . 1 1 63 63 GLN N N 63 126.463 126.463 118.007 8.456 25502 4771 1 7 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.602 0.774 25502 4772 1 7 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.960 -1.436 25502 4773 1 7 . 1 1 63 63 GLN CB C 63 30.400 30.400 31.850 -1.450 25502 4774 1 7 . 1 1 63 63 GLN H H 63 9.651 9.651 8.712 0.939 25502 4775 1 7 . 1 1 64 64 GLY N N 64 110.531 110.531 112.456 -1.925 25502 4776 1 7 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.165 -0.765 25502 4777 1 7 . 1 1 64 64 GLY H H 64 7.352 7.352 8.466 -1.114 25502 4778 1 7 . 1 1 65 65 GLY N N 65 105.572 105.572 110.110 -4.538 25502 4779 1 7 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.524 1.901 25502 4780 1 7 . 1 1 65 65 GLY H H 65 9.292 9.292 7.639 1.653 25502 4781 1 7 . 1 1 66 66 ASP N N 66 123.656 123.656 125.381 -1.725 25502 4782 1 7 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.987 -0.697 25502 4783 1 7 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.901 -2.396 25502 4784 1 7 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.454 -3.752 25502 4785 1 7 . 1 1 66 66 ASP H H 66 9.910 9.910 8.071 1.839 25502 4786 1 7 . 1 1 67 67 PHE N N 67 115.914 115.914 124.479 -8.565 25502 4787 1 7 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.582 0.015 25502 4788 1 7 . 1 1 67 67 PHE CA C 67 55.784 55.784 59.632 -3.848 25502 4789 1 7 . 1 1 67 67 PHE CB C 67 39.357 39.357 40.572 -1.215 25502 4790 1 7 . 1 1 67 67 PHE H H 67 6.624 6.624 8.895 -2.271 25502 4791 1 7 . 1 1 68 68 THR N N 68 108.853 108.853 109.002 -0.149 25502 4792 1 7 . 1 1 68 68 THR HA H 68 4.638 4.638 4.303 0.335 25502 4793 1 7 . 1 1 68 68 THR CA C 68 61.621 61.621 62.578 -0.957 25502 4794 1 7 . 1 1 68 68 THR CB C 68 68.789 68.789 69.875 -1.086 25502 4795 1 7 . 1 1 68 68 THR H H 68 7.320 7.320 8.159 -0.839 25502 4796 1 7 . 1 1 69 69 ARG N N 69 121.780 121.780 121.689 0.091 25502 4797 1 7 . 1 1 69 69 ARG HA H 69 4.362 4.362 3.922 0.440 25502 4798 1 7 . 1 1 69 69 ARG CA C 69 55.028 55.028 58.612 -3.584 25502 4799 1 7 . 1 1 69 69 ARG CB C 69 61.533 61.533 28.732 32.801 25502 4800 1 7 . 1 1 69 69 ARG H H 69 8.655 8.655 8.487 0.168 25502 4801 1 7 . 1 1 70 70 HIS N N 70 112.009 112.009 117.060 -5.051 25502 4802 1 7 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.365 0.033 25502 4803 1 7 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.962 0.172 25502 4804 1 7 . 1 1 70 70 HIS CB C 70 58.434 58.434 28.746 29.688 25502 4805 1 7 . 1 1 70 70 HIS H H 70 6.838 6.838 8.668 -1.830 25502 4806 1 7 . 1 1 71 71 ASN N N 71 112.340 112.340 116.109 -3.769 25502 4807 1 7 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.796 -0.201 25502 4808 1 7 . 1 1 71 71 ASN CA C 71 52.160 52.160 54.225 -2.065 25502 4809 1 7 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.457 -0.750 25502 4810 1 7 . 1 1 71 71 ASN H H 71 7.519 7.519 8.375 -0.856 25502 4811 1 7 . 1 1 72 72 GLY N N 72 110.239 110.239 107.795 2.444 25502 4812 1 7 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.144 -0.570 25502 4813 1 7 . 1 1 72 72 GLY H H 72 9.619 9.619 8.332 1.287 25502 4814 1 7 . 1 1 73 73 THR N N 73 111.802 111.802 113.435 -1.633 25502 4815 1 7 . 1 1 73 73 THR HA H 73 4.487 4.487 4.383 0.104 25502 4816 1 7 . 1 1 73 73 THR CA C 73 62.070 62.070 62.508 -0.438 25502 4817 1 7 . 1 1 73 73 THR CB C 73 40.762 40.762 69.091 -28.329 25502 4818 1 7 . 1 1 73 73 THR H H 73 7.930 7.930 7.938 -0.008 25502 4819 1 7 . 1 1 74 74 GLY N N 74 113.668 113.668 109.964 3.704 25502 4820 1 7 . 1 1 74 74 GLY CA C 74 44.908 44.908 45.205 -0.297 25502 4821 1 7 . 1 1 74 74 GLY H H 74 8.669 8.669 8.132 0.537 25502 4822 1 7 . 1 1 75 75 GLY N N 75 108.813 108.813 106.923 1.890 25502 4823 1 7 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.266 -1.229 25502 4824 1 7 . 1 1 75 75 GLY H H 75 8.066 8.066 8.069 -0.003 25502 4825 1 7 . 1 1 76 76 LYS N N 76 115.526 115.526 121.020 -5.494 25502 4826 1 7 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.506 0.079 25502 4827 1 7 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.503 1.204 25502 4828 1 7 . 1 1 76 76 LYS CB C 76 34.515 34.515 36.079 -1.564 25502 4829 1 7 . 1 1 76 76 LYS H H 76 6.981 6.981 6.410 0.571 25502 4830 1 7 . 1 1 77 77 SER N N 77 114.105 114.105 116.981 -2.876 25502 4831 1 7 . 1 1 77 77 SER HA H 77 5.185 5.185 4.798 0.387 25502 4832 1 7 . 1 1 77 77 SER CA C 77 56.816 56.816 57.900 -1.083 25502 4833 1 7 . 1 1 77 77 SER CB C 77 38.963 38.963 61.913 -22.950 25502 4834 1 7 . 1 1 78 78 ILE N N 78 110.963 110.963 114.310 -3.347 25502 4835 1 7 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.749 0.421 25502 4836 1 7 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.500 1.017 25502 4837 1 7 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.092 1.216 25502 4838 1 7 . 1 1 78 78 ILE H H 78 8.557 8.557 7.597 0.960 25502 4839 1 7 . 1 1 79 79 TYR N N 79 120.472 120.472 119.042 1.430 25502 4840 1 7 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.630 0.037 25502 4841 1 7 . 1 1 79 79 TYR CA C 79 56.147 56.147 57.243 -1.096 25502 4842 1 7 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.028 -0.303 25502 4843 1 7 . 1 1 79 79 TYR H H 79 8.007 8.007 7.883 0.124 25502 4844 1 7 . 1 1 80 80 GLY N N 80 106.402 106.402 109.631 -3.229 25502 4845 1 7 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.123 -1.375 25502 4846 1 7 . 1 1 80 80 GLY H H 80 7.115 7.115 7.932 -0.817 25502 4847 1 7 . 1 1 81 81 GLU N N 81 122.838 122.838 122.320 0.518 25502 4848 1 7 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.503 -0.557 25502 4849 1 7 . 1 1 81 81 GLU CA C 81 60.138 60.138 56.498 3.640 25502 4850 1 7 . 1 1 81 81 GLU CB C 81 30.108 30.108 31.679 -1.571 25502 4851 1 7 . 1 1 81 81 GLU H H 81 8.878 8.878 8.706 0.172 25502 4852 1 7 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.905 0.620 25502 4853 1 7 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.740 -1.965 25502 4854 1 7 . 1 1 82 82 LYS CB C 82 36.311 36.311 34.475 1.836 25502 4855 1 7 . 1 1 82 82 LYS H H 82 7.799 7.799 7.628 0.171 25502 4856 1 7 . 1 1 83 83 PHE N N 83 116.432 116.432 115.319 1.113 25502 4857 1 7 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.878 0.067 25502 4858 1 7 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.747 -0.010 25502 4859 1 7 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.068 0.226 25502 4860 1 7 . 1 1 83 83 PHE H H 83 9.147 9.147 8.055 1.092 25502 4861 1 7 . 1 1 84 84 GLU N N 84 119.352 119.352 119.185 0.167 25502 4862 1 7 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.101 -0.299 25502 4863 1 7 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.886 0.311 25502 4864 1 7 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.002 -0.897 25502 4865 1 7 . 1 1 84 84 GLU H H 84 9.252 9.252 8.491 0.761 25502 4866 1 7 . 1 1 85 85 ASP N N 85 118.583 118.583 121.314 -2.731 25502 4867 1 7 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.437 -0.211 25502 4868 1 7 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.777 -1.803 25502 4869 1 7 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.630 -0.845 25502 4870 1 7 . 1 1 85 85 ASP H H 85 8.593 8.593 8.393 0.200 25502 4871 1 7 . 1 1 86 86 GLU N N 86 131.488 131.488 125.973 5.515 25502 4872 1 7 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.254 -0.459 25502 4873 1 7 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.606 2.667 25502 4874 1 7 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.955 0.684 25502 4875 1 7 . 1 1 86 86 GLU H H 86 9.461 9.461 8.913 0.548 25502 4876 1 7 . 1 1 87 87 ASN N N 87 106.549 106.549 112.969 -6.420 25502 4877 1 7 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.958 0.172 25502 4878 1 7 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.951 0.638 25502 4879 1 7 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.839 -0.490 25502 4880 1 7 . 1 1 87 87 ASN H H 87 7.044 7.044 7.925 -0.881 25502 4881 1 7 . 1 1 88 88 PHE N N 88 112.731 112.731 115.990 -3.259 25502 4882 1 7 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.867 1.060 25502 4883 1 7 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.225 -0.537 25502 4884 1 7 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.392 0.428 25502 4885 1 7 . 1 1 88 88 PHE H H 88 8.319 8.319 7.965 0.354 25502 4886 1 7 . 1 1 89 89 ILE N N 89 119.556 119.556 120.389 -0.833 25502 4887 1 7 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.829 -0.177 25502 4888 1 7 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.980 0.907 25502 4889 1 7 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.681 1.258 25502 4890 1 7 . 1 1 89 89 ILE H H 89 8.302 8.302 7.913 0.389 25502 4891 1 7 . 1 1 90 90 LEU N N 90 116.951 116.951 120.350 -3.399 25502 4892 1 7 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.311 0.145 25502 4893 1 7 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.353 0.832 25502 4894 1 7 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.686 1.224 25502 4895 1 7 . 1 1 90 90 LEU H H 90 7.746 7.746 7.803 -0.057 25502 4896 1 7 . 1 1 91 91 LYS N N 91 118.722 118.722 121.310 -2.588 25502 4897 1 7 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.095 0.533 25502 4898 1 7 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.830 -1.515 25502 4899 1 7 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.487 1.063 25502 4900 1 7 . 1 1 91 91 LYS H H 91 8.057 8.057 7.904 0.153 25502 4901 1 7 . 1 1 92 92 HIS N N 92 122.221 122.221 120.403 1.818 25502 4902 1 7 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.343 -0.001 25502 4903 1 7 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.023 -0.267 25502 4904 1 7 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.586 -1.691 25502 4905 1 7 . 1 1 92 92 HIS H H 92 10.706 10.706 8.439 2.267 25502 4906 1 7 . 1 1 93 93 THR N N 93 110.178 110.178 114.217 -4.039 25502 4907 1 7 . 1 1 93 93 THR HA H 93 4.004 4.004 4.472 -0.468 25502 4908 1 7 . 1 1 93 93 THR CA C 93 63.018 63.018 61.279 1.739 25502 4909 1 7 . 1 1 93 93 THR CB C 93 69.341 69.341 68.952 0.389 25502 4910 1 7 . 1 1 93 93 THR H H 93 7.261 7.261 8.019 -0.758 25502 4911 1 7 . 1 1 94 94 GLY N N 94 106.990 106.990 109.732 -2.742 25502 4912 1 7 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.236 1.218 25502 4913 1 7 . 1 1 94 94 GLY H H 94 7.489 7.489 7.431 0.058 25502 4914 1 7 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.510 -0.706 25502 4915 1 7 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.721 -0.182 25502 4916 1 7 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.150 29.802 25502 4917 1 7 . 1 1 96 96 GLY N N 96 109.908 109.908 106.723 3.185 25502 4918 1 7 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.527 -0.698 25502 4919 1 7 . 1 1 96 96 GLY H H 96 9.271 9.271 8.757 0.514 25502 4920 1 7 . 1 1 97 97 ILE N N 97 121.176 121.176 120.573 0.603 25502 4921 1 7 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.337 -0.222 25502 4922 1 7 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.243 0.068 25502 4923 1 7 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.664 -0.906 25502 4924 1 7 . 1 1 97 97 ILE H H 97 6.765 6.765 7.299 -0.534 25502 4925 1 7 . 1 1 98 98 LEU N N 98 128.477 128.477 126.341 2.136 25502 4926 1 7 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.671 0.327 25502 4927 1 7 . 1 1 98 98 LEU CA C 98 53.233 53.233 52.789 0.444 25502 4928 1 7 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.973 -1.348 25502 4929 1 7 . 1 1 98 98 LEU H H 98 7.872 7.872 8.316 -0.444 25502 4930 1 7 . 1 1 99 99 SER N N 99 118.325 118.325 116.135 2.190 25502 4931 1 7 . 1 1 99 99 SER HA H 99 5.316 5.316 5.116 0.200 25502 4932 1 7 . 1 1 99 99 SER CA C 99 54.909 54.909 56.587 -1.678 25502 4933 1 7 . 1 1 99 99 SER CB C 99 65.380 65.380 65.877 -0.497 25502 4934 1 7 . 1 1 99 99 SER H H 99 8.285 8.285 7.412 0.873 25502 4935 1 7 . 1 1 100 100 MET N N 100 122.826 122.826 121.356 1.470 25502 4936 1 7 . 1 1 100 100 MET HA H 100 5.259 5.259 4.789 0.470 25502 4937 1 7 . 1 1 100 100 MET CA C 100 53.800 53.800 54.324 -0.524 25502 4938 1 7 . 1 1 100 100 MET CB C 100 30.960 30.960 32.905 -1.945 25502 4939 1 7 . 1 1 100 100 MET H H 100 8.544 8.544 8.481 0.063 25502 4940 1 7 . 1 1 101 101 ALA N N 101 125.971 125.971 129.985 -4.014 25502 4941 1 7 . 1 1 101 101 ALA HA H 101 4.276 4.276 3.993 0.283 25502 4942 1 7 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.947 -0.449 25502 4943 1 7 . 1 1 101 101 ALA CB C 101 19.403 19.403 16.952 2.451 25502 4944 1 7 . 1 1 101 101 ALA H H 101 7.999 7.999 8.932 -0.933 25502 4945 1 7 . 1 1 102 102 ASN N N 102 113.207 113.207 118.692 -5.485 25502 4946 1 7 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.737 -0.161 25502 4947 1 7 . 1 1 102 102 ASN CA C 102 53.841 53.841 52.264 1.577 25502 4948 1 7 . 1 1 102 102 ASN CB C 102 40.379 40.379 40.422 -0.043 25502 4949 1 7 . 1 1 102 102 ASN H H 102 8.097 8.097 7.743 0.354 25502 4950 1 7 . 1 1 103 103 ALA N N 103 123.056 123.056 121.314 1.742 25502 4951 1 7 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.099 0.686 25502 4952 1 7 . 1 1 103 103 ALA CA C 103 50.154 50.154 54.269 -4.115 25502 4953 1 7 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.161 -0.132 25502 4954 1 7 . 1 1 103 103 ALA H H 103 8.787 8.787 8.699 0.088 25502 4955 1 7 . 1 1 104 104 GLY N N 104 108.942 108.942 105.418 3.524 25502 4956 1 7 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.795 -1.386 25502 4957 1 7 . 1 1 104 104 GLY H H 104 8.111 8.111 8.102 0.009 25502 4958 1 7 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.394 -0.067 25502 4959 1 7 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.050 0.833 25502 4960 1 7 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.713 1.188 25502 4961 1 7 . 1 1 106 106 ASN N N 106 118.866 118.866 120.293 -1.427 25502 4962 1 7 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.245 -0.248 25502 4963 1 7 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.326 -0.223 25502 4964 1 7 . 1 1 106 106 ASN CB C 106 36.992 36.992 36.422 0.570 25502 4965 1 7 . 1 1 106 106 ASN H H 106 8.866 8.866 8.798 0.068 25502 4966 1 7 . 1 1 107 107 THR N N 107 109.971 109.971 108.156 1.815 25502 4967 1 7 . 1 1 107 107 THR HA H 107 4.434 4.434 4.369 0.065 25502 4968 1 7 . 1 1 107 107 THR CA C 107 60.040 60.040 60.949 -0.909 25502 4969 1 7 . 1 1 107 107 THR CB C 107 39.196 39.196 70.194 -30.998 25502 4970 1 7 . 1 1 107 107 THR H H 107 10.165 10.165 7.549 2.616 25502 4971 1 7 . 1 1 108 108 ASN N N 108 120.251 120.251 120.538 -0.287 25502 4972 1 7 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.579 -0.364 25502 4973 1 7 . 1 1 108 108 ASN CA C 108 55.448 55.448 53.318 2.130 25502 4974 1 7 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.248 1.352 25502 4975 1 7 . 1 1 108 108 ASN H H 108 7.349 7.349 7.483 -0.134 25502 4976 1 7 . 1 1 109 109 GLY N N 109 110.632 110.632 110.189 0.443 25502 4977 1 7 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.211 0.828 25502 4978 1 7 . 1 1 109 109 GLY H H 109 9.188 9.188 8.349 0.839 25502 4979 1 7 . 1 1 110 110 SER N N 110 116.806 116.806 114.404 2.402 25502 4980 1 7 . 1 1 110 110 SER HA H 110 4.698 4.698 4.541 0.157 25502 4981 1 7 . 1 1 110 110 SER CA C 110 57.454 57.454 58.499 -1.045 25502 4982 1 7 . 1 1 110 110 SER CB C 110 65.964 65.964 62.706 3.258 25502 4983 1 7 . 1 1 110 110 SER H H 110 8.738 8.738 8.084 0.654 25502 4984 1 7 . 1 1 111 111 GLN N N 111 124.263 124.263 122.730 1.533 25502 4985 1 7 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.198 0.970 25502 4986 1 7 . 1 1 111 111 GLN CA C 111 57.494 57.494 57.904 -0.410 25502 4987 1 7 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.499 2.133 25502 4988 1 7 . 1 1 111 111 GLN H H 111 8.388 8.388 8.567 -0.179 25502 4989 1 7 . 1 1 112 112 PHE N N 112 117.560 117.560 116.185 1.375 25502 4990 1 7 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.099 1.615 25502 4991 1 7 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.422 -2.974 25502 4992 1 7 . 1 1 112 112 PHE CB C 112 43.000 43.000 38.046 4.954 25502 4993 1 7 . 1 1 112 112 PHE H H 112 8.058 8.058 7.592 0.466 25502 4994 1 7 . 1 1 113 113 PHE N N 113 116.199 116.199 122.105 -5.906 25502 4995 1 7 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.162 1.508 25502 4996 1 7 . 1 1 113 113 PHE CA C 113 54.437 54.437 55.820 -1.383 25502 4997 1 7 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.334 1.284 25502 4998 1 7 . 1 1 113 113 PHE H H 113 9.795 9.795 7.198 2.597 25502 4999 1 7 . 1 1 114 114 ILE N N 114 118.391 118.391 123.051 -4.660 25502 5000 1 7 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.983 0.811 25502 5001 1 7 . 1 1 114 114 ILE CA C 114 60.060 60.060 61.566 -1.506 25502 5002 1 7 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.969 1.193 25502 5003 1 7 . 1 1 114 114 ILE H H 114 9.098 9.098 8.434 0.664 25502 5004 1 7 . 1 1 115 115 CYS N N 115 125.271 125.271 129.810 -4.539 25502 5005 1 7 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.826 -0.074 25502 5006 1 7 . 1 1 115 115 CYS CA C 115 60.672 60.672 59.058 1.614 25502 5007 1 7 . 1 1 115 115 CYS CB C 115 58.569 58.569 28.674 29.895 25502 5008 1 7 . 1 1 115 115 CYS H H 115 9.597 9.597 8.395 1.202 25502 5009 1 7 . 1 1 116 116 THR N N 116 115.478 115.478 119.473 -3.995 25502 5010 1 7 . 1 1 116 116 THR HA H 116 4.324 4.324 4.351 -0.027 25502 5011 1 7 . 1 1 116 116 THR CA C 116 60.720 60.720 61.134 -0.414 25502 5012 1 7 . 1 1 116 116 THR CB C 116 66.502 66.502 68.478 -1.976 25502 5013 1 7 . 1 1 116 116 THR H H 116 8.947 8.947 8.076 0.871 25502 5014 1 7 . 1 1 117 117 ALA N N 117 121.996 121.996 121.292 0.704 25502 5015 1 7 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.348 0.010 25502 5016 1 7 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.595 -1.084 25502 5017 1 7 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.102 1.506 25502 5018 1 7 . 1 1 117 117 ALA H H 117 7.602 7.602 7.033 0.569 25502 5019 1 7 . 1 1 118 118 LYS N N 118 119.550 119.550 121.895 -2.345 25502 5020 1 7 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.993 -0.214 25502 5021 1 7 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.457 0.207 25502 5022 1 7 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.540 0.959 25502 5023 1 7 . 1 1 118 118 LYS H H 118 8.690 8.690 8.540 0.150 25502 5024 1 7 . 1 1 119 119 THR N N 119 118.759 118.759 118.433 0.326 25502 5025 1 7 . 1 1 119 119 THR HA H 119 3.623 3.623 2.207 1.416 25502 5026 1 7 . 1 1 119 119 THR CA C 119 57.088 57.088 58.329 -1.241 25502 5027 1 7 . 1 1 119 119 THR H H 119 7.328 7.328 7.926 -0.598 25502 5028 1 7 . 1 1 120 120 GLU N N 120 124.407 124.407 122.698 1.709 25502 5029 1 7 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.958 0.162 25502 5030 1 7 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.544 0.528 25502 5031 1 7 . 1 1 120 120 GLU H H 120 9.092 9.092 7.529 1.563 25502 5032 1 7 . 1 1 121 121 TRP N N 121 117.495 117.495 118.648 -1.153 25502 5033 1 7 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.445 0.208 25502 5034 1 7 . 1 1 121 121 TRP CA C 121 59.461 59.461 57.997 1.464 25502 5035 1 7 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.017 -1.267 25502 5036 1 7 . 1 1 121 121 TRP H H 121 7.251 7.251 7.577 -0.326 25502 5037 1 7 . 1 1 122 122 LEU N N 122 119.528 119.528 119.777 -0.249 25502 5038 1 7 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.950 0.301 25502 5039 1 7 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.915 -2.415 25502 5040 1 7 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.502 -2.603 25502 5041 1 7 . 1 1 122 122 LEU H H 122 7.019 7.019 6.785 0.234 25502 5042 1 7 . 1 1 123 123 ASP N N 123 121.832 121.832 117.033 4.799 25502 5043 1 7 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.313 0.852 25502 5044 1 7 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.228 0.627 25502 5045 1 7 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.147 -0.775 25502 5046 1 7 . 1 1 123 123 ASP H H 123 7.607 7.607 7.837 -0.230 25502 5047 1 7 . 1 1 124 124 GLY N N 124 110.836 110.836 106.546 4.290 25502 5048 1 7 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.783 -0.760 25502 5049 1 7 . 1 1 124 124 GLY H H 124 9.522 9.522 8.516 1.006 25502 5050 1 7 . 1 1 125 125 LYS N N 125 115.016 115.016 116.880 -1.864 25502 5051 1 7 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.000 0.108 25502 5052 1 7 . 1 1 125 125 LYS CA C 125 56.248 56.248 57.028 -0.780 25502 5053 1 7 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.689 2.700 25502 5054 1 7 . 1 1 125 125 LYS H H 125 7.727 7.727 8.268 -0.541 25502 5055 1 7 . 1 1 126 126 HIS N N 126 119.223 119.223 113.085 6.138 25502 5056 1 7 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.822 -0.023 25502 5057 1 7 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.684 -0.125 25502 5058 1 7 . 1 1 126 126 HIS H H 126 7.571 7.571 7.590 -0.019 25502 5059 1 7 . 1 1 127 127 VAL N N 127 124.730 124.730 120.629 4.101 25502 5060 1 7 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.490 -0.232 25502 5061 1 7 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.155 2.492 25502 5062 1 7 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.460 -0.044 25502 5063 1 7 . 1 1 127 127 VAL H H 127 8.474 8.474 8.726 -0.252 25502 5064 1 7 . 1 1 128 128 VAL N N 128 132.814 132.814 127.114 5.700 25502 5065 1 7 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.377 -0.227 25502 5066 1 7 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.585 -1.216 25502 5067 1 7 . 1 1 128 128 VAL H H 128 9.470 9.470 8.705 0.765 25502 5068 1 7 . 1 1 129 129 PHE N N 129 117.478 117.478 121.524 -4.046 25502 5069 1 7 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.047 0.206 25502 5070 1 7 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.113 -0.206 25502 5071 1 7 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.815 2.641 25502 5072 1 7 . 1 1 129 129 PHE H H 129 8.086 8.086 8.067 0.019 25502 5073 1 7 . 1 1 130 130 GLY N N 130 110.497 110.497 107.899 2.598 25502 5074 1 7 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.450 0.944 25502 5075 1 7 . 1 1 130 130 GLY H H 130 7.297 7.297 7.366 -0.069 25502 5076 1 7 . 1 1 131 131 LYS N N 131 115.059 115.059 116.289 -1.230 25502 5077 1 7 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.603 0.604 25502 5078 1 7 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.861 -1.067 25502 5079 1 7 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.596 0.256 25502 5080 1 7 . 1 1 131 131 LYS H H 131 8.353 8.353 8.193 0.160 25502 5081 1 7 . 1 1 132 132 VAL N N 132 123.802 123.802 125.002 -1.200 25502 5082 1 7 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.889 -0.001 25502 5083 1 7 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.120 -0.173 25502 5084 1 7 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.466 2.081 25502 5085 1 7 . 1 1 132 132 VAL H H 132 9.015 9.015 8.514 0.501 25502 5086 1 7 . 1 1 133 133 LYS N N 133 131.324 131.324 128.636 2.688 25502 5087 1 7 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.152 0.272 25502 5088 1 7 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.172 -0.513 25502 5089 1 7 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.467 0.400 25502 5090 1 7 . 1 1 133 133 LYS H H 133 9.469 9.469 8.834 0.635 25502 5091 1 7 . 1 1 134 134 GLU N N 134 118.178 118.178 117.082 1.096 25502 5092 1 7 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.403 0.156 25502 5093 1 7 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.942 -0.794 25502 5094 1 7 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.365 0.371 25502 5095 1 7 . 1 1 134 134 GLU H H 134 7.543 7.543 7.598 -0.055 25502 5096 1 7 . 1 1 135 135 GLY N N 135 107.767 107.767 111.419 -3.652 25502 5097 1 7 . 1 1 135 135 GLY CA C 135 45.867 45.867 44.914 0.953 25502 5098 1 7 . 1 1 135 135 GLY H H 135 8.693 8.693 8.700 -0.007 25502 5099 1 7 . 1 1 136 136 MET N N 136 122.307 122.307 119.265 3.042 25502 5100 1 7 . 1 1 136 136 MET HA H 136 4.437 4.437 4.147 0.290 25502 5101 1 7 . 1 1 136 136 MET CA C 136 56.659 56.659 56.467 0.192 25502 5102 1 7 . 1 1 136 136 MET CB C 136 30.025 30.025 32.036 -2.011 25502 5103 1 7 . 1 1 136 136 MET H H 136 8.790 8.790 8.451 0.339 25502 5104 1 7 . 1 1 137 137 ASN N N 137 114.221 114.221 117.093 -2.872 25502 5105 1 7 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.436 0.014 25502 5106 1 7 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.809 0.117 25502 5107 1 7 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.358 -1.540 25502 5108 1 7 . 1 1 137 137 ASN H H 137 8.849 8.849 8.713 0.136 25502 5109 1 7 . 1 1 138 138 ILE N N 138 123.949 123.949 119.365 4.584 25502 5110 1 7 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.915 -0.165 25502 5111 1 7 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.050 -1.719 25502 5112 1 7 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.871 -2.531 25502 5113 1 7 . 1 1 138 138 ILE H H 138 7.642 7.642 7.466 0.176 25502 5114 1 7 . 1 1 139 139 VAL N N 139 121.654 121.654 118.933 2.721 25502 5115 1 7 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.692 0.152 25502 5116 1 7 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.766 -0.735 25502 5117 1 7 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.411 -0.435 25502 5118 1 7 . 1 1 139 139 VAL H H 139 7.244 7.244 7.790 -0.546 25502 5119 1 7 . 1 1 140 140 GLU N N 140 117.078 117.078 118.873 -1.795 25502 5120 1 7 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.181 -0.138 25502 5121 1 7 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.905 0.257 25502 5122 1 7 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.408 0.011 25502 5123 1 7 . 1 1 140 140 GLU H H 140 8.291 8.291 7.494 0.797 25502 5124 1 7 . 1 1 141 141 ALA N N 141 120.813 120.813 122.614 -1.801 25502 5125 1 7 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.133 -0.072 25502 5126 1 7 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.802 -0.073 25502 5127 1 7 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.460 -0.444 25502 5128 1 7 . 1 1 141 141 ALA H H 141 7.495 7.495 7.537 -0.042 25502 5129 1 7 . 1 1 142 142 MET N N 142 117.301 117.301 117.834 -0.533 25502 5130 1 7 . 1 1 142 142 MET HA H 142 3.938 3.938 4.257 -0.319 25502 5131 1 7 . 1 1 142 142 MET CA C 142 59.610 59.610 59.318 0.292 25502 5132 1 7 . 1 1 142 142 MET CB C 142 33.678 33.678 32.463 1.215 25502 5133 1 7 . 1 1 142 142 MET H H 142 8.259 8.259 7.996 0.263 25502 5134 1 7 . 1 1 143 143 GLU N N 143 116.052 116.052 117.316 -1.264 25502 5135 1 7 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.018 -0.302 25502 5136 1 7 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.167 0.015 25502 5137 1 7 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.900 1.371 25502 5138 1 7 . 1 1 143 143 GLU H H 143 7.832 7.832 8.022 -0.190 25502 5139 1 7 . 1 1 144 144 ARG N N 144 114.357 114.357 119.724 -5.367 25502 5140 1 7 . 1 1 144 144 ARG HA H 144 3.922 3.922 3.982 -0.060 25502 5141 1 7 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.865 -0.323 25502 5142 1 7 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.165 0.138 25502 5143 1 7 . 1 1 144 144 ARG H H 144 7.034 7.034 7.298 -0.264 25502 5144 1 7 . 1 1 145 145 PHE N N 145 115.146 115.146 116.659 -1.513 25502 5145 1 7 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.727 0.066 25502 5146 1 7 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.137 0.477 25502 5147 1 7 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.376 -0.463 25502 5148 1 7 . 1 1 145 145 PHE H H 145 7.624 7.624 7.978 -0.354 25502 5149 1 7 . 1 1 146 146 GLY N N 146 104.498 104.498 107.469 -2.971 25502 5150 1 7 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.560 0.589 25502 5151 1 7 . 1 1 146 146 GLY H H 146 7.514 7.514 7.476 0.038 25502 5152 1 7 . 1 1 147 147 SER N N 147 109.815 109.815 116.646 -6.831 25502 5153 1 7 . 1 1 147 147 SER HA H 147 4.755 4.755 4.809 -0.054 25502 5154 1 7 . 1 1 147 147 SER CA C 147 58.033 58.033 57.202 0.831 25502 5155 1 7 . 1 1 147 147 SER H H 147 8.190 8.190 8.616 -0.426 25502 5156 1 7 . 1 1 148 148 ARG N N 148 119.789 119.789 125.409 -5.620 25502 5157 1 7 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.019 0.148 25502 5158 1 7 . 1 1 148 148 ARG CA C 148 59.491 59.491 58.846 0.645 25502 5159 1 7 . 1 1 148 148 ARG CB C 148 29.662 29.662 29.840 -0.178 25502 5160 1 7 . 1 1 148 148 ARG H H 148 8.795 8.795 8.917 -0.122 25502 5161 1 7 . 1 1 149 149 ASN N N 149 111.378 111.378 113.905 -2.527 25502 5162 1 7 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.592 0.242 25502 5163 1 7 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.840 -1.720 25502 5164 1 7 . 1 1 149 149 ASN CB C 149 38.241 38.241 38.998 -0.757 25502 5165 1 7 . 1 1 149 149 ASN H H 149 7.841 7.841 8.073 -0.232 25502 5166 1 7 . 1 1 150 150 GLY N N 150 109.893 109.893 108.698 1.195 25502 5167 1 7 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.011 -0.114 25502 5168 1 7 . 1 1 150 150 GLY H H 150 8.040 8.040 7.985 0.055 25502 5169 1 7 . 1 1 151 151 LYS N N 151 119.608 119.608 121.670 -2.062 25502 5170 1 7 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.200 0.205 25502 5171 1 7 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.842 -0.797 25502 5172 1 7 . 1 1 151 151 LYS CB C 151 32.269 32.269 32.807 -0.538 25502 5173 1 7 . 1 1 151 151 LYS H H 151 7.525 7.525 8.020 -0.495 25502 5174 1 7 . 1 1 152 152 THR N N 152 116.317 116.317 110.672 5.645 25502 5175 1 7 . 1 1 152 152 THR HA H 152 5.532 5.532 4.744 0.788 25502 5176 1 7 . 1 1 152 152 THR CA C 152 59.953 59.953 60.806 -0.853 25502 5177 1 7 . 1 1 152 152 THR CB C 152 71.108 71.108 70.811 0.297 25502 5178 1 7 . 1 1 152 152 THR H H 152 8.823 8.823 8.000 0.823 25502 5179 1 7 . 1 1 153 153 SER N N 153 116.804 116.804 120.423 -3.619 25502 5180 1 7 . 1 1 153 153 SER HA H 153 4.456 4.456 4.336 0.120 25502 5181 1 7 . 1 1 153 153 SER CA C 153 58.712 58.712 61.141 -2.429 25502 5182 1 7 . 1 1 153 153 SER CB C 153 63.477 63.477 63.864 -0.387 25502 5183 1 7 . 1 1 153 153 SER H H 153 9.412 9.412 8.913 0.499 25502 5184 1 7 . 1 1 154 154 LYS N N 154 119.068 119.068 119.613 -0.545 25502 5185 1 7 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.446 0.086 25502 5186 1 7 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.182 -0.782 25502 5187 1 7 . 1 1 154 154 LYS CB C 154 38.406 38.406 34.078 4.328 25502 5188 1 7 . 1 1 154 154 LYS H H 154 7.527 7.527 7.550 -0.023 25502 5189 1 7 . 1 1 155 155 LYS N N 155 121.541 121.541 121.477 0.064 25502 5190 1 7 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.548 -0.235 25502 5191 1 7 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.065 1.082 25502 5192 1 7 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.389 -0.401 25502 5193 1 7 . 1 1 155 155 LYS H H 155 8.791 8.791 8.365 0.426 25502 5194 1 7 . 1 1 156 156 ILE N N 156 133.980 133.980 129.154 4.826 25502 5195 1 7 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.156 -0.063 25502 5196 1 7 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.367 -1.103 25502 5197 1 7 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.187 -1.347 25502 5198 1 7 . 1 1 156 156 ILE H H 156 9.606 9.606 8.770 0.836 25502 5199 1 7 . 1 1 157 157 THR N N 157 116.977 116.977 119.706 -2.729 25502 5200 1 7 . 1 1 157 157 THR HA H 157 5.274 5.274 4.824 0.450 25502 5201 1 7 . 1 1 157 157 THR CA C 157 59.475 59.475 59.500 -0.025 25502 5202 1 7 . 1 1 157 157 THR CB C 157 72.475 72.475 71.882 0.592 25502 5203 1 7 . 1 1 157 157 THR H H 157 9.233 9.233 8.474 0.759 25502 5204 1 7 . 1 1 158 158 ILE N N 158 121.529 121.529 122.148 -0.619 25502 5205 1 7 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.877 -0.635 25502 5206 1 7 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.611 0.257 25502 5207 1 7 . 1 1 158 158 ILE CB C 158 36.790 36.790 37.778 -0.988 25502 5208 1 7 . 1 1 158 158 ILE H H 158 8.580 8.580 8.663 -0.083 25502 5209 1 7 . 1 1 159 159 ALA N N 159 132.313 132.313 131.446 0.867 25502 5210 1 7 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.215 -0.091 25502 5211 1 7 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.743 0.330 25502 5212 1 7 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.604 -0.591 25502 5213 1 7 . 1 1 159 159 ALA H H 159 8.873 8.873 8.740 0.133 25502 5214 1 7 . 1 1 160 160 ASP N N 160 111.257 111.257 116.209 -4.952 25502 5215 1 7 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.674 0.216 25502 5216 1 7 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.908 -1.269 25502 5217 1 7 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.218 0.369 25502 5218 1 7 . 1 1 160 160 ASP H H 160 8.066 8.066 7.782 0.284 25502 5219 1 7 . 1 1 161 161 CYS N N 161 115.837 115.837 116.855 -1.018 25502 5220 1 7 . 1 1 161 161 CYS HA H 161 4.544 4.544 2.788 1.756 25502 5221 1 7 . 1 1 161 161 CYS CA C 161 55.148 55.148 54.819 0.329 25502 5222 1 7 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.314 0.823 25502 5223 1 7 . 1 1 161 161 CYS H H 161 8.591 8.591 8.255 0.336 25502 5224 1 7 . 1 1 162 162 GLY N N 162 103.888 103.888 107.464 -3.576 25502 5225 1 7 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.913 0.436 25502 5226 1 7 . 1 1 162 162 GLY H H 162 6.844 6.844 6.744 0.100 25502 5227 1 7 . 1 1 163 163 GLN N N 163 120.718 120.718 120.250 0.468 25502 5228 1 7 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.534 0.535 25502 5229 1 7 . 1 1 163 163 GLN CA C 163 54.809 54.809 55.995 -1.186 25502 5230 1 7 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.363 1.228 25502 5231 1 7 . 1 1 163 163 GLN H H 163 9.066 9.066 8.370 0.696 25502 5232 1 7 . 1 1 164 164 LEU N N 164 125.816 125.816 127.169 -1.353 25502 5233 1 7 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.400 0.207 25502 5234 1 7 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.324 -1.585 25502 5235 1 7 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.933 1.429 25502 5236 1 7 . 1 1 164 164 LEU H H 164 8.593 8.593 9.062 -0.469 25502 5237 1 8 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.234 -0.058 25502 5238 1 8 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.033 -0.541 25502 5239 1 8 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.347 -0.221 25502 5240 1 8 . 1 1 3 3 ASN N N 3 126.515 126.515 124.756 1.759 25502 5241 1 8 . 1 1 3 3 ASN HA H 3 5.137 5.137 4.938 0.199 25502 5242 1 8 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.824 -0.816 25502 5243 1 8 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.376 -1.577 25502 5244 1 8 . 1 1 3 3 ASN H H 3 8.600 8.600 8.434 0.166 25502 5245 1 8 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.510 0.243 25502 5246 1 8 . 1 1 4 4 PRO CA C 4 62.669 62.669 63.004 -0.335 25502 5247 1 8 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.749 0.389 25502 5248 1 8 . 1 1 5 5 THR N N 5 114.826 114.826 116.692 -1.866 25502 5249 1 8 . 1 1 5 5 THR HA H 5 5.716 5.716 4.617 1.099 25502 5250 1 8 . 1 1 5 5 THR CA C 5 60.698 60.698 61.283 -0.585 25502 5251 1 8 . 1 1 5 5 THR CB C 5 41.142 41.142 71.806 -30.664 25502 5252 1 8 . 1 1 5 5 THR H H 5 8.771 8.771 8.198 0.573 25502 5253 1 8 . 1 1 6 6 VAL N N 6 120.113 120.113 121.831 -1.718 25502 5254 1 8 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.502 -0.163 25502 5255 1 8 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.147 -0.350 25502 5256 1 8 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.321 0.814 25502 5257 1 8 . 1 1 6 6 VAL H H 6 8.741 8.741 8.252 0.489 25502 5258 1 8 . 1 1 7 7 PHE N N 7 118.968 118.968 122.277 -3.309 25502 5259 1 8 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.132 0.763 25502 5260 1 8 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.824 -0.136 25502 5261 1 8 . 1 1 7 7 PHE CB C 7 43.043 43.043 40.975 2.068 25502 5262 1 8 . 1 1 7 7 PHE H H 7 8.954 8.954 8.140 0.814 25502 5263 1 8 . 1 1 8 8 PHE N N 8 116.774 116.774 119.807 -3.033 25502 5264 1 8 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.835 0.482 25502 5265 1 8 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.154 -3.731 25502 5266 1 8 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.096 1.774 25502 5267 1 8 . 1 1 8 8 PHE H H 8 9.540 9.540 8.673 0.867 25502 5268 1 8 . 1 1 9 9 ASP N N 9 123.959 123.959 125.617 -1.658 25502 5269 1 8 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.847 0.686 25502 5270 1 8 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.468 -0.703 25502 5271 1 8 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.555 -0.242 25502 5272 1 8 . 1 1 9 9 ASP H H 9 9.266 9.266 9.099 0.167 25502 5273 1 8 . 1 1 10 10 ILE N N 10 124.122 124.122 125.979 -1.857 25502 5274 1 8 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.460 0.712 25502 5275 1 8 . 1 1 10 10 ILE CA C 10 58.159 58.159 59.402 -1.243 25502 5276 1 8 . 1 1 10 10 ILE CB C 10 37.703 37.703 36.426 1.277 25502 5277 1 8 . 1 1 10 10 ILE H H 10 9.030 9.030 8.116 0.914 25502 5278 1 8 . 1 1 11 11 ALA N N 11 132.244 132.244 131.932 0.312 25502 5279 1 8 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.699 0.466 25502 5280 1 8 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.524 0.140 25502 5281 1 8 . 1 1 11 11 ALA CB C 11 52.561 52.561 21.449 31.112 25502 5282 1 8 . 1 1 11 11 ALA H H 11 9.603 9.603 9.350 0.253 25502 5283 1 8 . 1 1 12 12 VAL N N 12 118.199 118.199 125.337 -7.138 25502 5284 1 8 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.802 -0.291 25502 5285 1 8 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.090 0.336 25502 5286 1 8 . 1 1 12 12 VAL CB C 12 33.181 33.181 31.267 1.914 25502 5287 1 8 . 1 1 12 12 VAL H H 12 8.943 8.943 8.674 0.269 25502 5288 1 8 . 1 1 13 13 ASP N N 13 130.748 130.748 129.712 1.036 25502 5289 1 8 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.282 0.038 25502 5290 1 8 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.582 0.244 25502 5291 1 8 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.108 -0.273 25502 5292 1 8 . 1 1 13 13 ASP H H 13 9.846 9.846 9.214 0.632 25502 5293 1 8 . 1 1 14 14 GLY N N 14 101.493 101.493 103.691 -2.198 25502 5294 1 8 . 1 1 14 14 GLY CA C 14 45.082 45.082 45.337 -0.255 25502 5295 1 8 . 1 1 14 14 GLY H H 14 8.558 8.558 8.723 -0.165 25502 5296 1 8 . 1 1 15 15 GLU N N 15 123.014 123.014 120.853 2.161 25502 5297 1 8 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.734 0.102 25502 5298 1 8 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.447 0.306 25502 5299 1 8 . 1 1 15 15 GLU CB C 15 30.236 30.236 29.618 0.618 25502 5300 1 8 . 1 1 15 15 GLU H H 15 8.046 8.046 7.775 0.271 25502 5301 1 8 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.875 -0.699 25502 5302 1 8 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.770 1.776 25502 5303 1 8 . 1 1 16 16 PRO CB C 16 62.111 62.111 31.689 30.422 25502 5304 1 8 . 1 1 17 17 LEU N N 17 125.784 125.784 124.832 0.952 25502 5305 1 8 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.156 0.531 25502 5306 1 8 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.499 -1.151 25502 5307 1 8 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.235 1.922 25502 5308 1 8 . 1 1 17 17 LEU H H 17 9.189 9.189 8.241 0.948 25502 5309 1 8 . 1 1 18 18 GLY N N 18 102.200 102.200 103.996 -1.796 25502 5310 1 8 . 1 1 18 18 GLY CA C 18 44.969 44.969 45.134 -0.165 25502 5311 1 8 . 1 1 18 18 GLY H H 18 7.256 7.256 7.457 -0.201 25502 5312 1 8 . 1 1 19 19 ARG N N 19 120.995 120.995 120.533 0.462 25502 5313 1 8 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.717 0.905 25502 5314 1 8 . 1 1 19 19 ARG CA C 19 55.015 55.015 54.575 0.440 25502 5315 1 8 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.391 -0.051 25502 5316 1 8 . 1 1 19 19 ARG H H 19 8.320 8.320 8.279 0.041 25502 5317 1 8 . 1 1 20 20 VAL N N 20 126.616 126.616 122.414 4.202 25502 5318 1 8 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.945 -0.342 25502 5319 1 8 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.443 -1.502 25502 5320 1 8 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.547 1.336 25502 5321 1 8 . 1 1 20 20 VAL H H 20 9.364 9.364 8.017 1.347 25502 5322 1 8 . 1 1 21 21 SER N N 21 120.061 120.061 121.742 -1.681 25502 5323 1 8 . 1 1 21 21 SER HA H 21 5.515 5.515 4.994 0.521 25502 5324 1 8 . 1 1 21 21 SER CA C 21 55.317 55.317 56.581 -1.264 25502 5325 1 8 . 1 1 21 21 SER CB C 21 36.773 36.773 65.711 -28.938 25502 5326 1 8 . 1 1 21 21 SER H H 21 8.768 8.768 8.020 0.748 25502 5327 1 8 . 1 1 22 22 PHE N N 22 118.878 118.878 118.432 0.446 25502 5328 1 8 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.005 0.232 25502 5329 1 8 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.886 -1.198 25502 5330 1 8 . 1 1 22 22 PHE CB C 22 42.574 42.574 41.760 0.814 25502 5331 1 8 . 1 1 22 22 PHE H H 22 9.508 9.508 8.835 0.673 25502 5332 1 8 . 1 1 23 23 GLU N N 23 122.926 122.926 124.588 -1.662 25502 5333 1 8 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.303 0.446 25502 5334 1 8 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.808 -0.859 25502 5335 1 8 . 1 1 23 23 GLU CB C 23 31.629 31.629 29.702 1.927 25502 5336 1 8 . 1 1 23 23 GLU H H 23 8.740 8.740 8.940 -0.200 25502 5337 1 8 . 1 1 24 24 LEU N N 24 122.262 122.262 127.175 -4.913 25502 5338 1 8 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.506 0.191 25502 5339 1 8 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.691 -3.140 25502 5340 1 8 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.892 0.228 25502 5341 1 8 . 1 1 24 24 LEU H H 24 8.185 8.185 7.843 0.342 25502 5342 1 8 . 1 1 25 25 PHE N N 25 124.423 124.423 123.408 1.015 25502 5343 1 8 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.730 0.378 25502 5344 1 8 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.032 -2.742 25502 5345 1 8 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.980 -1.019 25502 5346 1 8 . 1 1 25 25 PHE H H 25 8.815 8.815 8.976 -0.161 25502 5347 1 8 . 1 1 26 26 ALA N N 26 128.683 128.683 125.843 2.840 25502 5348 1 8 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.353 -0.582 25502 5349 1 8 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.376 -0.090 25502 5350 1 8 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.422 0.202 25502 5351 1 8 . 1 1 26 26 ALA H H 26 8.433 8.433 7.971 0.462 25502 5352 1 8 . 1 1 27 27 ASP N N 27 114.069 114.069 117.742 -3.673 25502 5353 1 8 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.535 -0.292 25502 5354 1 8 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.396 -1.068 25502 5355 1 8 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.173 -2.318 25502 5356 1 8 . 1 1 27 27 ASP H H 27 9.052 9.052 8.332 0.721 25502 5357 1 8 . 1 1 28 28 LYS N N 28 117.763 117.763 116.349 1.414 25502 5358 1 8 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.511 0.060 25502 5359 1 8 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.766 -0.534 25502 5360 1 8 . 1 1 28 28 LYS CB C 28 35.922 35.922 35.124 0.798 25502 5361 1 8 . 1 1 28 28 LYS H H 28 7.545 7.545 8.094 -0.549 25502 5362 1 8 . 1 1 29 29 VAL N N 29 114.212 114.212 114.710 -0.498 25502 5363 1 8 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.968 -0.517 25502 5364 1 8 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.659 -0.570 25502 5365 1 8 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.169 0.576 25502 5366 1 8 . 1 1 29 29 VAL H H 29 8.368 8.368 8.248 0.120 25502 5367 1 8 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.464 -0.069 25502 5368 1 8 . 1 1 30 30 PRO CA C 30 66.083 66.083 64.356 1.727 25502 5369 1 8 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.886 -0.582 25502 5370 1 8 . 1 1 31 31 LYS N N 31 123.500 123.500 117.615 5.885 25502 5371 1 8 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.210 -0.203 25502 5372 1 8 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.839 1.517 25502 5373 1 8 . 1 1 31 31 LYS CB C 31 32.279 32.279 32.788 -0.509 25502 5374 1 8 . 1 1 31 31 LYS H H 31 10.663 10.663 7.966 2.697 25502 5375 1 8 . 1 1 32 32 THR N N 32 123.707 123.707 116.121 7.586 25502 5376 1 8 . 1 1 32 32 THR HA H 32 3.988 3.988 4.186 -0.198 25502 5377 1 8 . 1 1 32 32 THR CA C 32 37.678 37.678 65.451 -27.773 25502 5378 1 8 . 1 1 32 32 THR CB C 32 38.883 38.883 68.740 -29.858 25502 5379 1 8 . 1 1 32 32 THR H H 32 10.283 10.283 7.479 2.804 25502 5380 1 8 . 1 1 33 33 ALA N N 33 125.366 125.366 124.274 1.092 25502 5381 1 8 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.265 -0.228 25502 5382 1 8 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.658 0.209 25502 5383 1 8 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.207 0.028 25502 5384 1 8 . 1 1 33 33 ALA H H 33 9.281 9.281 8.184 1.097 25502 5385 1 8 . 1 1 34 34 GLU N N 34 117.040 117.040 117.926 -0.886 25502 5386 1 8 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.986 0.523 25502 5387 1 8 . 1 1 34 34 GLU CA C 34 57.886 57.886 60.053 -2.167 25502 5388 1 8 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.400 28.503 25502 5389 1 8 . 1 1 34 34 GLU H H 34 8.027 8.027 8.486 -0.459 25502 5390 1 8 . 1 1 35 35 ASN N N 35 115.398 115.398 117.983 -2.585 25502 5391 1 8 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.544 -0.490 25502 5392 1 8 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.394 0.237 25502 5393 1 8 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.134 1.331 25502 5394 1 8 . 1 1 35 35 ASN H H 35 7.139 7.139 7.572 -0.433 25502 5395 1 8 . 1 1 36 36 PHE N N 36 117.607 117.607 120.966 -3.359 25502 5396 1 8 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.249 -0.140 25502 5397 1 8 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.844 0.547 25502 5398 1 8 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.233 0.780 25502 5399 1 8 . 1 1 36 36 PHE H H 36 7.012 7.012 7.876 -0.864 25502 5400 1 8 . 1 1 37 37 ARG N N 37 120.804 120.804 120.701 0.103 25502 5401 1 8 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.003 -0.371 25502 5402 1 8 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.558 0.823 25502 5403 1 8 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.326 -0.466 25502 5404 1 8 . 1 1 37 37 ARG H H 37 8.935 8.935 8.383 0.553 25502 5405 1 8 . 1 1 38 38 ALA N N 38 118.869 118.869 122.459 -3.590 25502 5406 1 8 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.187 -0.118 25502 5407 1 8 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.089 -0.749 25502 5408 1 8 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.238 -0.003 25502 5409 1 8 . 1 1 38 38 ALA H H 38 8.687 8.687 8.480 0.207 25502 5410 1 8 . 1 1 39 39 LEU N N 39 120.488 120.488 118.814 1.674 25502 5411 1 8 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.993 -0.249 25502 5412 1 8 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.239 -0.124 25502 5413 1 8 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.160 -1.134 25502 5414 1 8 . 1 1 39 39 LEU H H 39 8.173 8.173 7.585 0.588 25502 5415 1 8 . 1 1 40 40 SER N N 40 118.952 118.952 114.070 4.882 25502 5416 1 8 . 1 1 40 40 SER HA H 40 4.444 4.444 3.870 0.574 25502 5417 1 8 . 1 1 40 40 SER CA C 40 62.334 62.334 61.046 1.288 25502 5418 1 8 . 1 1 40 40 SER CB C 40 62.884 62.884 62.475 0.409 25502 5419 1 8 . 1 1 40 40 SER H H 40 7.900 7.900 7.936 -0.036 25502 5420 1 8 . 1 1 41 41 THR N N 41 108.208 108.208 113.976 -5.768 25502 5421 1 8 . 1 1 41 41 THR HA H 41 4.288 4.288 4.002 0.286 25502 5422 1 8 . 1 1 41 41 THR CA C 41 62.810 62.810 64.666 -1.856 25502 5423 1 8 . 1 1 41 41 THR CB C 41 69.221 69.221 69.240 -0.019 25502 5424 1 8 . 1 1 41 41 THR H H 41 7.974 7.974 8.383 -0.409 25502 5425 1 8 . 1 1 42 42 GLY N N 42 108.122 108.122 109.227 -1.105 25502 5426 1 8 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.183 0.574 25502 5427 1 8 . 1 1 42 42 GLY H H 42 7.582 7.582 8.039 -0.457 25502 5428 1 8 . 1 1 43 43 GLU N N 43 118.454 118.454 122.679 -4.225 25502 5429 1 8 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.952 0.168 25502 5430 1 8 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.465 -0.108 25502 5431 1 8 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.100 0.842 25502 5432 1 8 . 1 1 43 43 GLU H H 43 8.009 8.009 7.889 0.120 25502 5433 1 8 . 1 1 44 44 LYS N N 44 118.055 118.055 118.648 -0.593 25502 5434 1 8 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.906 0.375 25502 5435 1 8 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.264 -3.144 25502 5436 1 8 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.349 -2.053 25502 5437 1 8 . 1 1 44 44 LYS H H 44 9.102 9.102 7.634 1.468 25502 5438 1 8 . 1 1 45 45 GLY N N 45 105.305 105.305 106.386 -1.081 25502 5439 1 8 . 1 1 45 45 GLY CA C 45 44.531 44.531 44.945 -0.414 25502 5440 1 8 . 1 1 45 45 GLY H H 45 7.939 7.939 8.215 -0.276 25502 5441 1 8 . 1 1 46 46 PHE N N 46 113.461 113.461 114.530 -1.069 25502 5442 1 8 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.760 -0.136 25502 5443 1 8 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.917 -2.037 25502 5444 1 8 . 1 1 46 46 PHE CB C 46 39.468 39.468 38.986 0.482 25502 5445 1 8 . 1 1 46 46 PHE H H 46 6.413 6.413 7.345 -0.932 25502 5446 1 8 . 1 1 47 47 GLY N N 47 104.416 104.416 106.542 -2.126 25502 5447 1 8 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.247 0.211 25502 5448 1 8 . 1 1 47 47 GLY H H 47 7.686 7.686 8.377 -0.691 25502 5449 1 8 . 1 1 48 48 TYR N N 48 113.530 113.530 120.783 -7.253 25502 5450 1 8 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.815 -0.607 25502 5451 1 8 . 1 1 48 48 TYR CA C 48 57.039 57.039 57.102 -0.063 25502 5452 1 8 . 1 1 48 48 TYR CB C 48 38.419 38.419 38.930 -0.511 25502 5453 1 8 . 1 1 48 48 TYR H H 48 6.887 6.887 8.602 -1.715 25502 5454 1 8 . 1 1 49 49 LYS N N 49 124.631 124.631 124.617 0.014 25502 5455 1 8 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.274 -0.679 25502 5456 1 8 . 1 1 49 49 LYS CA C 49 60.882 60.882 56.119 4.763 25502 5457 1 8 . 1 1 49 49 LYS CB C 49 31.168 31.168 30.320 0.848 25502 5458 1 8 . 1 1 49 49 LYS H H 49 8.474 8.474 8.135 0.339 25502 5459 1 8 . 1 1 50 50 GLY N N 50 117.591 117.591 107.422 10.169 25502 5460 1 8 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.178 -0.137 25502 5461 1 8 . 1 1 50 50 GLY H H 50 9.482 9.482 8.231 1.251 25502 5462 1 8 . 1 1 51 51 SER N N 51 116.156 116.156 115.157 0.999 25502 5463 1 8 . 1 1 51 51 SER HA H 51 4.658 4.658 4.982 -0.324 25502 5464 1 8 . 1 1 51 51 SER CA C 51 58.682 58.682 55.911 2.771 25502 5465 1 8 . 1 1 51 51 SER CB C 51 64.607 64.607 65.080 -0.473 25502 5466 1 8 . 1 1 51 51 SER H H 51 8.397 8.397 7.911 0.486 25502 5467 1 8 . 1 1 52 52 CYS N N 52 114.800 114.800 121.875 -7.075 25502 5468 1 8 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.989 0.906 25502 5469 1 8 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.148 -0.183 25502 5470 1 8 . 1 1 52 52 CYS CB C 52 31.719 31.719 28.404 3.315 25502 5471 1 8 . 1 1 52 52 CYS H H 52 9.858 9.858 8.381 1.477 25502 5472 1 8 . 1 1 53 53 PHE N N 53 122.839 122.839 124.095 -1.256 25502 5473 1 8 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.536 0.317 25502 5474 1 8 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.641 0.442 25502 5475 1 8 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.156 -1.428 25502 5476 1 8 . 1 1 53 53 PHE H H 53 8.702 8.702 7.688 1.014 25502 5477 1 8 . 1 1 54 54 HIS N N 54 119.944 119.944 121.265 -1.321 25502 5478 1 8 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.945 -0.239 25502 5479 1 8 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.751 1.234 25502 5480 1 8 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.154 1.190 25502 5481 1 8 . 1 1 54 54 HIS H H 54 7.623 7.623 8.664 -1.041 25502 5482 1 8 . 1 1 55 55 ARG N N 55 122.758 122.758 120.627 2.131 25502 5483 1 8 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.645 0.454 25502 5484 1 8 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.362 -1.659 25502 5485 1 8 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.207 3.564 25502 5486 1 8 . 1 1 55 55 ARG H H 55 7.031 7.031 8.396 -1.365 25502 5487 1 8 . 1 1 56 56 ILE N N 56 126.170 126.170 123.100 3.070 25502 5488 1 8 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.308 0.281 25502 5489 1 8 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.991 0.460 25502 5490 1 8 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.287 0.345 25502 5491 1 8 . 1 1 56 56 ILE H H 56 9.166 9.166 7.742 1.424 25502 5492 1 8 . 1 1 57 57 ILE N N 57 127.731 127.731 127.254 0.477 25502 5493 1 8 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.853 0.344 25502 5494 1 8 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.469 0.145 25502 5495 1 8 . 1 1 57 57 ILE CB C 57 40.015 40.015 41.061 -1.046 25502 5496 1 8 . 1 1 57 57 ILE H H 57 8.718 8.718 8.197 0.521 25502 5497 1 8 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.586 -0.262 25502 5498 1 8 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.061 -0.112 25502 5499 1 8 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.881 2.030 25502 5500 1 8 . 1 1 59 59 GLY N N 59 113.877 113.877 108.619 5.258 25502 5501 1 8 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.922 -0.744 25502 5502 1 8 . 1 1 59 59 GLY H H 59 9.679 9.679 8.436 1.243 25502 5503 1 8 . 1 1 60 60 PHE N N 60 118.955 118.955 121.773 -2.818 25502 5504 1 8 . 1 1 60 60 PHE HA H 60 5.093 5.093 5.143 -0.050 25502 5505 1 8 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.262 -1.517 25502 5506 1 8 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.319 -2.626 25502 5507 1 8 . 1 1 60 60 PHE H H 60 8.095 8.095 7.878 0.217 25502 5508 1 8 . 1 1 61 61 MET N N 61 110.963 110.963 110.675 0.288 25502 5509 1 8 . 1 1 61 61 MET HA H 61 5.311 5.311 4.825 0.486 25502 5510 1 8 . 1 1 61 61 MET CA C 61 54.802 54.802 55.437 -0.635 25502 5511 1 8 . 1 1 61 61 MET CB C 61 34.892 34.892 33.741 1.151 25502 5512 1 8 . 1 1 61 61 MET H H 61 8.088 8.088 7.751 0.337 25502 5513 1 8 . 1 1 62 62 CYS N N 62 114.627 114.627 118.300 -3.673 25502 5514 1 8 . 1 1 62 62 CYS HA H 62 4.873 4.873 5.250 -0.377 25502 5515 1 8 . 1 1 62 62 CYS CA C 62 57.335 57.335 56.861 0.474 25502 5516 1 8 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.429 29.631 25502 5517 1 8 . 1 1 62 62 CYS H H 62 8.474 8.474 8.264 0.210 25502 5518 1 8 . 1 1 63 63 GLN N N 63 126.463 126.463 117.601 8.862 25502 5519 1 8 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.616 0.760 25502 5520 1 8 . 1 1 63 63 GLN CA C 63 54.524 54.524 54.354 0.170 25502 5521 1 8 . 1 1 63 63 GLN CB C 63 30.400 30.400 33.358 -2.958 25502 5522 1 8 . 1 1 63 63 GLN H H 63 9.651 9.651 7.943 1.708 25502 5523 1 8 . 1 1 64 64 GLY N N 64 110.531 110.531 107.780 2.751 25502 5524 1 8 . 1 1 64 64 GLY CA C 64 44.400 44.400 46.163 -1.763 25502 5525 1 8 . 1 1 64 64 GLY H H 64 7.352 7.352 8.585 -1.233 25502 5526 1 8 . 1 1 65 65 GLY N N 65 105.572 105.572 109.827 -4.255 25502 5527 1 8 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.872 1.553 25502 5528 1 8 . 1 1 65 65 GLY H H 65 9.292 9.292 8.264 1.028 25502 5529 1 8 . 1 1 66 66 ASP N N 66 123.656 123.656 121.111 2.545 25502 5530 1 8 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.871 -0.581 25502 5531 1 8 . 1 1 66 66 ASP CA C 66 51.505 51.505 52.293 -0.788 25502 5532 1 8 . 1 1 66 66 ASP CB C 66 38.702 38.702 43.184 -4.482 25502 5533 1 8 . 1 1 66 66 ASP H H 66 9.910 9.910 7.805 2.105 25502 5534 1 8 . 1 1 67 67 PHE N N 67 115.914 115.914 121.243 -5.329 25502 5535 1 8 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.223 0.374 25502 5536 1 8 . 1 1 67 67 PHE CA C 67 55.784 55.784 61.188 -5.404 25502 5537 1 8 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.665 -0.308 25502 5538 1 8 . 1 1 67 67 PHE H H 67 6.624 6.624 8.990 -2.366 25502 5539 1 8 . 1 1 68 68 THR N N 68 108.853 108.853 108.311 0.542 25502 5540 1 8 . 1 1 68 68 THR HA H 68 4.638 4.638 4.184 0.454 25502 5541 1 8 . 1 1 68 68 THR CA C 68 61.621 61.621 62.082 -0.461 25502 5542 1 8 . 1 1 68 68 THR CB C 68 68.789 68.789 69.787 -0.998 25502 5543 1 8 . 1 1 68 68 THR H H 68 7.320 7.320 8.109 -0.789 25502 5544 1 8 . 1 1 69 69 ARG N N 69 121.780 121.780 119.399 2.381 25502 5545 1 8 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.495 -0.133 25502 5546 1 8 . 1 1 69 69 ARG CA C 69 55.028 55.028 54.758 0.270 25502 5547 1 8 . 1 1 69 69 ARG CB C 69 61.533 61.533 31.883 29.650 25502 5548 1 8 . 1 1 69 69 ARG H H 69 8.655 8.655 7.877 0.778 25502 5549 1 8 . 1 1 70 70 HIS N N 70 112.009 112.009 119.502 -7.493 25502 5550 1 8 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.639 -0.241 25502 5551 1 8 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.950 0.185 25502 5552 1 8 . 1 1 70 70 HIS CB C 70 58.434 58.434 31.192 27.242 25502 5553 1 8 . 1 1 70 70 HIS H H 70 6.838 6.838 8.510 -1.672 25502 5554 1 8 . 1 1 71 71 ASN N N 71 112.340 112.340 118.893 -6.553 25502 5555 1 8 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.449 0.146 25502 5556 1 8 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.848 -1.688 25502 5557 1 8 . 1 1 71 71 ASN CB C 71 38.707 38.707 36.660 2.047 25502 5558 1 8 . 1 1 71 71 ASN H H 71 7.519 7.519 8.785 -1.266 25502 5559 1 8 . 1 1 72 72 GLY N N 72 110.239 110.239 105.244 4.995 25502 5560 1 8 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.903 -1.330 25502 5561 1 8 . 1 1 72 72 GLY H H 72 9.619 9.619 8.571 1.048 25502 5562 1 8 . 1 1 73 73 THR N N 73 111.802 111.802 113.456 -1.654 25502 5563 1 8 . 1 1 73 73 THR HA H 73 4.487 4.487 4.331 0.156 25502 5564 1 8 . 1 1 73 73 THR CA C 73 62.070 62.070 62.872 -0.802 25502 5565 1 8 . 1 1 73 73 THR CB C 73 40.762 40.762 69.472 -28.710 25502 5566 1 8 . 1 1 73 73 THR H H 73 7.930 7.930 8.003 -0.073 25502 5567 1 8 . 1 1 74 74 GLY N N 74 113.668 113.668 110.932 2.736 25502 5568 1 8 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.735 0.173 25502 5569 1 8 . 1 1 74 74 GLY H H 74 8.669 8.669 8.078 0.591 25502 5570 1 8 . 1 1 75 75 GLY N N 75 108.813 108.813 109.548 -0.735 25502 5571 1 8 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.254 -1.217 25502 5572 1 8 . 1 1 75 75 GLY H H 75 8.066 8.066 8.575 -0.509 25502 5573 1 8 . 1 1 76 76 LYS N N 76 115.526 115.526 115.964 -0.438 25502 5574 1 8 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.376 0.209 25502 5575 1 8 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.391 0.316 25502 5576 1 8 . 1 1 76 76 LYS CB C 76 34.515 34.515 34.307 0.208 25502 5577 1 8 . 1 1 76 76 LYS H H 76 6.981 6.981 6.360 0.621 25502 5578 1 8 . 1 1 77 77 SER N N 77 114.105 114.105 119.556 -5.451 25502 5579 1 8 . 1 1 77 77 SER HA H 77 5.185 5.185 4.869 0.316 25502 5580 1 8 . 1 1 77 77 SER CA C 77 56.816 56.816 58.958 -2.142 25502 5581 1 8 . 1 1 77 77 SER CB C 77 38.963 38.963 61.786 -22.823 25502 5582 1 8 . 1 1 78 78 ILE N N 78 110.963 110.963 116.790 -5.827 25502 5583 1 8 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.674 0.496 25502 5584 1 8 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.974 0.543 25502 5585 1 8 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.206 1.102 25502 5586 1 8 . 1 1 78 78 ILE H H 78 8.557 8.557 8.296 0.261 25502 5587 1 8 . 1 1 79 79 TYR N N 79 120.472 120.472 117.653 2.819 25502 5588 1 8 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.685 -0.018 25502 5589 1 8 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.484 -2.337 25502 5590 1 8 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.879 -1.154 25502 5591 1 8 . 1 1 79 79 TYR H H 79 8.007 8.007 7.669 0.338 25502 5592 1 8 . 1 1 80 80 GLY N N 80 106.402 106.402 106.158 0.244 25502 5593 1 8 . 1 1 80 80 GLY CA C 80 43.748 43.748 44.140 -0.392 25502 5594 1 8 . 1 1 80 80 GLY H H 80 7.115 7.115 7.695 -0.580 25502 5595 1 8 . 1 1 81 81 GLU N N 81 122.838 122.838 119.316 3.522 25502 5596 1 8 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.208 -0.262 25502 5597 1 8 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.557 1.581 25502 5598 1 8 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.865 0.243 25502 5599 1 8 . 1 1 81 81 GLU H H 81 8.878 8.878 8.609 0.269 25502 5600 1 8 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.812 1.713 25502 5601 1 8 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.630 -1.855 25502 5602 1 8 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.032 3.279 25502 5603 1 8 . 1 1 82 82 LYS H H 82 7.799 7.799 7.473 0.326 25502 5604 1 8 . 1 1 83 83 PHE N N 83 116.432 116.432 114.991 1.441 25502 5605 1 8 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.873 0.072 25502 5606 1 8 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.204 0.533 25502 5607 1 8 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.775 0.519 25502 5608 1 8 . 1 1 83 83 PHE H H 83 9.147 9.147 7.917 1.230 25502 5609 1 8 . 1 1 84 84 GLU N N 84 119.352 119.352 119.050 0.302 25502 5610 1 8 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.349 -0.547 25502 5611 1 8 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.840 0.357 25502 5612 1 8 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.378 -1.273 25502 5613 1 8 . 1 1 84 84 GLU H H 84 9.252 9.252 8.400 0.852 25502 5614 1 8 . 1 1 85 85 ASP N N 85 118.583 118.583 122.101 -3.518 25502 5615 1 8 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.432 -0.206 25502 5616 1 8 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.499 -1.525 25502 5617 1 8 . 1 1 85 85 ASP CB C 85 40.785 40.785 42.112 -1.327 25502 5618 1 8 . 1 1 85 85 ASP H H 85 8.593 8.593 8.304 0.289 25502 5619 1 8 . 1 1 86 86 GLU N N 86 131.488 131.488 124.316 7.172 25502 5620 1 8 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.034 -0.239 25502 5621 1 8 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.694 2.579 25502 5622 1 8 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.595 1.044 25502 5623 1 8 . 1 1 86 86 GLU H H 86 9.461 9.461 8.818 0.643 25502 5624 1 8 . 1 1 87 87 ASN N N 87 106.549 106.549 112.898 -6.349 25502 5625 1 8 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.954 0.176 25502 5626 1 8 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.685 0.904 25502 5627 1 8 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.989 -0.640 25502 5628 1 8 . 1 1 87 87 ASN H H 87 7.044 7.044 7.592 -0.548 25502 5629 1 8 . 1 1 88 88 PHE N N 88 112.731 112.731 114.763 -2.032 25502 5630 1 8 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.905 1.022 25502 5631 1 8 . 1 1 88 88 PHE CA C 88 55.688 55.688 55.903 -0.215 25502 5632 1 8 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.667 0.153 25502 5633 1 8 . 1 1 88 88 PHE H H 88 8.319 8.319 7.941 0.378 25502 5634 1 8 . 1 1 89 89 ILE N N 89 119.556 119.556 120.729 -1.173 25502 5635 1 8 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.866 -0.214 25502 5636 1 8 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.869 1.018 25502 5637 1 8 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.713 1.226 25502 5638 1 8 . 1 1 89 89 ILE H H 89 8.302 8.302 7.911 0.391 25502 5639 1 8 . 1 1 90 90 LEU N N 90 116.951 116.951 120.666 -3.715 25502 5640 1 8 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.333 0.123 25502 5641 1 8 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.286 0.899 25502 5642 1 8 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.885 1.025 25502 5643 1 8 . 1 1 90 90 LEU H H 90 7.746 7.746 7.759 -0.013 25502 5644 1 8 . 1 1 91 91 LYS N N 91 118.722 118.722 121.431 -2.709 25502 5645 1 8 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.157 0.471 25502 5646 1 8 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.598 -1.283 25502 5647 1 8 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.676 0.874 25502 5648 1 8 . 1 1 91 91 LYS H H 91 8.057 8.057 8.061 -0.004 25502 5649 1 8 . 1 1 92 92 HIS N N 92 122.221 122.221 121.800 0.421 25502 5650 1 8 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.378 -0.036 25502 5651 1 8 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.693 0.063 25502 5652 1 8 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.650 -1.755 25502 5653 1 8 . 1 1 92 92 HIS H H 92 10.706 10.706 8.463 2.243 25502 5654 1 8 . 1 1 93 93 THR N N 93 110.178 110.178 116.196 -6.018 25502 5655 1 8 . 1 1 93 93 THR HA H 93 4.004 4.004 4.176 -0.172 25502 5656 1 8 . 1 1 93 93 THR CA C 93 63.018 63.018 63.092 -0.074 25502 5657 1 8 . 1 1 93 93 THR CB C 93 69.341 69.341 69.723 -0.382 25502 5658 1 8 . 1 1 93 93 THR H H 93 7.261 7.261 7.905 -0.644 25502 5659 1 8 . 1 1 94 94 GLY N N 94 106.990 106.990 109.051 -2.061 25502 5660 1 8 . 1 1 94 94 GLY CA C 94 45.454 45.454 43.686 1.768 25502 5661 1 8 . 1 1 94 94 GLY H H 94 7.489 7.489 7.851 -0.362 25502 5662 1 8 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.341 -0.537 25502 5663 1 8 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.771 -0.232 25502 5664 1 8 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.709 29.243 25502 5665 1 8 . 1 1 96 96 GLY N N 96 109.908 109.908 106.709 3.199 25502 5666 1 8 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.501 -0.672 25502 5667 1 8 . 1 1 96 96 GLY H H 96 9.271 9.271 8.642 0.629 25502 5668 1 8 . 1 1 97 97 ILE N N 97 121.176 121.176 120.269 0.907 25502 5669 1 8 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.254 -0.139 25502 5670 1 8 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.314 -0.003 25502 5671 1 8 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.724 -0.966 25502 5672 1 8 . 1 1 97 97 ILE H H 97 6.765 6.765 7.234 -0.469 25502 5673 1 8 . 1 1 98 98 LEU N N 98 128.477 128.477 126.876 1.601 25502 5674 1 8 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.630 0.368 25502 5675 1 8 . 1 1 98 98 LEU CA C 98 53.233 53.233 52.769 0.464 25502 5676 1 8 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.783 -1.158 25502 5677 1 8 . 1 1 98 98 LEU H H 98 7.872 7.872 8.507 -0.635 25502 5678 1 8 . 1 1 99 99 SER N N 99 118.325 118.325 116.282 2.043 25502 5679 1 8 . 1 1 99 99 SER HA H 99 5.316 5.316 5.071 0.245 25502 5680 1 8 . 1 1 99 99 SER CA C 99 54.909 54.909 56.494 -1.585 25502 5681 1 8 . 1 1 99 99 SER CB C 99 65.380 65.380 65.992 -0.612 25502 5682 1 8 . 1 1 99 99 SER H H 99 8.285 8.285 7.427 0.858 25502 5683 1 8 . 1 1 100 100 MET N N 100 122.826 122.826 121.633 1.193 25502 5684 1 8 . 1 1 100 100 MET HA H 100 5.259 5.259 4.824 0.435 25502 5685 1 8 . 1 1 100 100 MET CA C 100 53.800 53.800 54.458 -0.658 25502 5686 1 8 . 1 1 100 100 MET CB C 100 30.960 30.960 32.818 -1.858 25502 5687 1 8 . 1 1 100 100 MET H H 100 8.544 8.544 8.473 0.071 25502 5688 1 8 . 1 1 101 101 ALA N N 101 125.971 125.971 130.491 -4.520 25502 5689 1 8 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.034 0.242 25502 5690 1 8 . 1 1 101 101 ALA CA C 101 51.498 51.498 52.055 -0.557 25502 5691 1 8 . 1 1 101 101 ALA CB C 101 19.403 19.403 17.419 1.984 25502 5692 1 8 . 1 1 101 101 ALA H H 101 7.999 7.999 8.855 -0.856 25502 5693 1 8 . 1 1 102 102 ASN N N 102 113.207 113.207 119.738 -6.531 25502 5694 1 8 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.914 -0.338 25502 5695 1 8 . 1 1 102 102 ASN CA C 102 53.841 53.841 52.090 1.751 25502 5696 1 8 . 1 1 102 102 ASN CB C 102 40.379 40.379 41.096 -0.717 25502 5697 1 8 . 1 1 102 102 ASN H H 102 8.097 8.097 7.919 0.178 25502 5698 1 8 . 1 1 103 103 ALA N N 103 123.056 123.056 121.699 1.357 25502 5699 1 8 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.136 0.649 25502 5700 1 8 . 1 1 103 103 ALA CA C 103 50.154 50.154 54.223 -4.069 25502 5701 1 8 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.016 0.013 25502 5702 1 8 . 1 1 103 103 ALA H H 103 8.787 8.787 8.934 -0.147 25502 5703 1 8 . 1 1 104 104 GLY N N 104 108.942 108.942 105.090 3.852 25502 5704 1 8 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.803 -1.394 25502 5705 1 8 . 1 1 104 104 GLY H H 104 8.111 8.111 8.441 -0.330 25502 5706 1 8 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.425 -0.098 25502 5707 1 8 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.062 0.821 25502 5708 1 8 . 1 1 105 105 PRO CB C 105 31.902 31.902 29.846 2.056 25502 5709 1 8 . 1 1 106 106 ASN N N 106 118.866 118.866 121.549 -2.683 25502 5710 1 8 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.394 -0.397 25502 5711 1 8 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.403 -0.300 25502 5712 1 8 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.416 -0.424 25502 5713 1 8 . 1 1 106 106 ASN H H 106 8.866 8.866 8.282 0.584 25502 5714 1 8 . 1 1 107 107 THR N N 107 109.971 109.971 106.757 3.214 25502 5715 1 8 . 1 1 107 107 THR HA H 107 4.434 4.434 3.837 0.597 25502 5716 1 8 . 1 1 107 107 THR CA C 107 60.040 60.040 63.630 -3.590 25502 5717 1 8 . 1 1 107 107 THR CB C 107 39.196 39.196 68.046 -28.850 25502 5718 1 8 . 1 1 107 107 THR H H 107 10.165 10.165 8.612 1.553 25502 5719 1 8 . 1 1 108 108 ASN N N 108 120.251 120.251 118.065 2.186 25502 5720 1 8 . 1 1 108 108 ASN HA H 108 4.215 4.215 5.284 -1.069 25502 5721 1 8 . 1 1 108 108 ASN CA C 108 55.448 55.448 51.686 3.762 25502 5722 1 8 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.891 0.709 25502 5723 1 8 . 1 1 108 108 ASN H H 108 7.349 7.349 7.699 -0.350 25502 5724 1 8 . 1 1 109 109 GLY N N 109 110.632 110.632 108.846 1.786 25502 5725 1 8 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.633 0.407 25502 5726 1 8 . 1 1 109 109 GLY H H 109 9.188 9.188 8.362 0.826 25502 5727 1 8 . 1 1 110 110 SER N N 110 116.806 116.806 110.939 5.867 25502 5728 1 8 . 1 1 110 110 SER HA H 110 4.698 4.698 4.583 0.115 25502 5729 1 8 . 1 1 110 110 SER CA C 110 57.454 57.454 57.773 -0.319 25502 5730 1 8 . 1 1 110 110 SER CB C 110 65.964 65.964 63.715 2.248 25502 5731 1 8 . 1 1 110 110 SER H H 110 8.738 8.738 8.091 0.647 25502 5732 1 8 . 1 1 111 111 GLN N N 111 124.263 124.263 120.262 4.001 25502 5733 1 8 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.252 0.916 25502 5734 1 8 . 1 1 111 111 GLN CA C 111 57.494 57.494 57.607 -0.113 25502 5735 1 8 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.262 2.370 25502 5736 1 8 . 1 1 111 111 GLN H H 111 8.388 8.388 8.479 -0.091 25502 5737 1 8 . 1 1 112 112 PHE N N 112 117.560 117.560 115.330 2.230 25502 5738 1 8 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.011 1.703 25502 5739 1 8 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.374 -2.927 25502 5740 1 8 . 1 1 112 112 PHE CB C 112 43.000 43.000 37.915 5.085 25502 5741 1 8 . 1 1 112 112 PHE H H 112 8.058 8.058 7.624 0.434 25502 5742 1 8 . 1 1 113 113 PHE N N 113 116.199 116.199 122.615 -6.416 25502 5743 1 8 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.236 1.434 25502 5744 1 8 . 1 1 113 113 PHE CA C 113 54.437 54.437 55.752 -1.315 25502 5745 1 8 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.837 0.780 25502 5746 1 8 . 1 1 113 113 PHE H H 113 9.795 9.795 7.219 2.576 25502 5747 1 8 . 1 1 114 114 ILE N N 114 118.391 118.391 124.793 -6.402 25502 5748 1 8 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.845 0.949 25502 5749 1 8 . 1 1 114 114 ILE CA C 114 60.060 60.060 61.088 -1.028 25502 5750 1 8 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.950 1.212 25502 5751 1 8 . 1 1 114 114 ILE H H 114 9.098 9.098 7.931 1.167 25502 5752 1 8 . 1 1 115 115 CYS N N 115 125.271 125.271 128.482 -3.211 25502 5753 1 8 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.870 -0.118 25502 5754 1 8 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.372 2.300 25502 5755 1 8 . 1 1 115 115 CYS CB C 115 58.569 58.569 28.210 30.359 25502 5756 1 8 . 1 1 115 115 CYS H H 115 9.597 9.597 8.180 1.417 25502 5757 1 8 . 1 1 116 116 THR N N 116 115.478 115.478 119.081 -3.603 25502 5758 1 8 . 1 1 116 116 THR HA H 116 4.324 4.324 4.300 0.024 25502 5759 1 8 . 1 1 116 116 THR CA C 116 60.720 60.720 61.828 -1.108 25502 5760 1 8 . 1 1 116 116 THR CB C 116 66.502 66.502 68.762 -2.260 25502 5761 1 8 . 1 1 116 116 THR H H 116 8.947 8.947 8.250 0.697 25502 5762 1 8 . 1 1 117 117 ALA N N 117 121.996 121.996 121.959 0.037 25502 5763 1 8 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.347 0.011 25502 5764 1 8 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.633 -1.123 25502 5765 1 8 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.493 2.115 25502 5766 1 8 . 1 1 117 117 ALA H H 117 7.602 7.602 7.209 0.393 25502 5767 1 8 . 1 1 118 118 LYS N N 118 119.550 119.550 122.110 -2.560 25502 5768 1 8 . 1 1 118 118 LYS HA H 118 3.779 3.779 4.000 -0.221 25502 5769 1 8 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.365 0.298 25502 5770 1 8 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.231 1.268 25502 5771 1 8 . 1 1 118 118 LYS H H 118 8.690 8.690 8.450 0.240 25502 5772 1 8 . 1 1 119 119 THR N N 119 118.759 118.759 116.543 2.216 25502 5773 1 8 . 1 1 119 119 THR HA H 119 3.623 3.623 2.208 1.415 25502 5774 1 8 . 1 1 119 119 THR CA C 119 57.088 57.088 59.498 -2.410 25502 5775 1 8 . 1 1 119 119 THR H H 119 7.328 7.328 7.811 -0.483 25502 5776 1 8 . 1 1 120 120 GLU N N 120 124.407 124.407 122.459 1.948 25502 5777 1 8 . 1 1 120 120 GLU HA H 120 4.120 4.120 4.007 0.113 25502 5778 1 8 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.523 0.549 25502 5779 1 8 . 1 1 120 120 GLU H H 120 9.092 9.092 8.221 0.871 25502 5780 1 8 . 1 1 121 121 TRP N N 121 117.495 117.495 118.160 -0.665 25502 5781 1 8 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.414 0.239 25502 5782 1 8 . 1 1 121 121 TRP CA C 121 59.461 59.461 57.375 2.086 25502 5783 1 8 . 1 1 121 121 TRP CB C 121 26.750 26.750 27.955 -1.205 25502 5784 1 8 . 1 1 121 121 TRP H H 121 7.251 7.251 7.351 -0.100 25502 5785 1 8 . 1 1 122 122 LEU N N 122 119.528 119.528 119.018 0.510 25502 5786 1 8 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.038 0.213 25502 5787 1 8 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.519 -2.019 25502 5788 1 8 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.224 -2.325 25502 5789 1 8 . 1 1 122 122 LEU H H 122 7.019 7.019 6.944 0.075 25502 5790 1 8 . 1 1 123 123 ASP N N 123 121.832 121.832 116.992 4.840 25502 5791 1 8 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.324 0.841 25502 5792 1 8 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.122 0.734 25502 5793 1 8 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.141 -0.769 25502 5794 1 8 . 1 1 123 123 ASP H H 123 7.607 7.607 7.841 -0.234 25502 5795 1 8 . 1 1 124 124 GLY N N 124 110.836 110.836 106.528 4.308 25502 5796 1 8 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.834 -0.811 25502 5797 1 8 . 1 1 124 124 GLY H H 124 9.522 9.522 8.613 0.909 25502 5798 1 8 . 1 1 125 125 LYS N N 125 115.016 115.016 116.941 -1.925 25502 5799 1 8 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.022 0.087 25502 5800 1 8 . 1 1 125 125 LYS CA C 125 56.248 56.248 57.104 -0.856 25502 5801 1 8 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.822 2.567 25502 5802 1 8 . 1 1 125 125 LYS H H 125 7.727 7.727 8.308 -0.581 25502 5803 1 8 . 1 1 126 126 HIS N N 126 119.223 119.223 113.269 5.954 25502 5804 1 8 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.948 -0.149 25502 5805 1 8 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.661 -0.102 25502 5806 1 8 . 1 1 126 126 HIS H H 126 7.571 7.571 7.640 -0.069 25502 5807 1 8 . 1 1 127 127 VAL N N 127 124.730 124.730 120.595 4.135 25502 5808 1 8 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.439 -0.181 25502 5809 1 8 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.121 2.526 25502 5810 1 8 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.593 -0.177 25502 5811 1 8 . 1 1 127 127 VAL H H 127 8.474 8.474 8.762 -0.288 25502 5812 1 8 . 1 1 128 128 VAL N N 128 132.814 132.814 127.216 5.598 25502 5813 1 8 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.382 -0.232 25502 5814 1 8 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.605 -1.236 25502 5815 1 8 . 1 1 128 128 VAL H H 128 9.470 9.470 8.738 0.732 25502 5816 1 8 . 1 1 129 129 PHE N N 129 117.478 117.478 121.128 -3.650 25502 5817 1 8 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.034 0.219 25502 5818 1 8 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.028 -0.121 25502 5819 1 8 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.999 2.457 25502 5820 1 8 . 1 1 129 129 PHE H H 129 8.086 8.086 7.909 0.177 25502 5821 1 8 . 1 1 130 130 GLY N N 130 110.497 110.497 108.035 2.462 25502 5822 1 8 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.212 1.182 25502 5823 1 8 . 1 1 130 130 GLY H H 130 7.297 7.297 7.359 -0.062 25502 5824 1 8 . 1 1 131 131 LYS N N 131 115.059 115.059 118.090 -3.031 25502 5825 1 8 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.578 0.629 25502 5826 1 8 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.275 -0.480 25502 5827 1 8 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.583 0.269 25502 5828 1 8 . 1 1 131 131 LYS H H 131 8.353 8.353 8.116 0.237 25502 5829 1 8 . 1 1 132 132 VAL N N 132 123.802 123.802 126.051 -2.249 25502 5830 1 8 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.757 0.131 25502 5831 1 8 . 1 1 132 132 VAL CA C 132 63.947 63.947 63.714 0.233 25502 5832 1 8 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.457 2.090 25502 5833 1 8 . 1 1 132 132 VAL H H 132 9.015 9.015 8.526 0.489 25502 5834 1 8 . 1 1 133 133 LYS N N 133 131.324 131.324 127.506 3.818 25502 5835 1 8 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.124 0.300 25502 5836 1 8 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.094 -0.436 25502 5837 1 8 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.639 0.228 25502 5838 1 8 . 1 1 133 133 LYS H H 133 9.469 9.469 8.682 0.787 25502 5839 1 8 . 1 1 134 134 GLU N N 134 118.178 118.178 116.068 2.110 25502 5840 1 8 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.360 0.199 25502 5841 1 8 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.821 -0.673 25502 5842 1 8 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.392 0.344 25502 5843 1 8 . 1 1 134 134 GLU H H 134 7.543 7.543 7.686 -0.143 25502 5844 1 8 . 1 1 135 135 GLY N N 135 107.767 107.767 109.207 -1.440 25502 5845 1 8 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.318 0.549 25502 5846 1 8 . 1 1 135 135 GLY H H 135 8.693 8.693 8.916 -0.223 25502 5847 1 8 . 1 1 136 136 MET N N 136 122.307 122.307 119.646 2.661 25502 5848 1 8 . 1 1 136 136 MET HA H 136 4.437 4.437 4.119 0.318 25502 5849 1 8 . 1 1 136 136 MET CA C 136 56.659 56.659 57.026 -0.367 25502 5850 1 8 . 1 1 136 136 MET CB C 136 30.025 30.025 32.191 -2.166 25502 5851 1 8 . 1 1 136 136 MET H H 136 8.790 8.790 8.182 0.608 25502 5852 1 8 . 1 1 137 137 ASN N N 137 114.221 114.221 117.795 -3.574 25502 5853 1 8 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.434 0.016 25502 5854 1 8 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.888 0.038 25502 5855 1 8 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.351 -1.534 25502 5856 1 8 . 1 1 137 137 ASN H H 137 8.849 8.849 8.300 0.549 25502 5857 1 8 . 1 1 138 138 ILE N N 138 123.949 123.949 119.954 3.995 25502 5858 1 8 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.936 -0.186 25502 5859 1 8 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.253 -1.922 25502 5860 1 8 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.855 -2.515 25502 5861 1 8 . 1 1 138 138 ILE H H 138 7.642 7.642 7.669 -0.027 25502 5862 1 8 . 1 1 139 139 VAL N N 139 121.654 121.654 119.376 2.278 25502 5863 1 8 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.689 0.155 25502 5864 1 8 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.242 -0.211 25502 5865 1 8 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.584 0.392 25502 5866 1 8 . 1 1 139 139 VAL H H 139 7.244 7.244 7.424 -0.180 25502 5867 1 8 . 1 1 140 140 GLU N N 140 117.078 117.078 118.768 -1.690 25502 5868 1 8 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.010 0.033 25502 5869 1 8 . 1 1 140 140 GLU CA C 140 59.162 59.162 59.316 -0.154 25502 5870 1 8 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.541 -0.122 25502 5871 1 8 . 1 1 140 140 GLU H H 140 8.291 8.291 7.667 0.624 25502 5872 1 8 . 1 1 141 141 ALA N N 141 120.813 120.813 122.177 -1.364 25502 5873 1 8 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.122 -0.061 25502 5874 1 8 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.778 -0.049 25502 5875 1 8 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.439 -0.423 25502 5876 1 8 . 1 1 141 141 ALA H H 141 7.495 7.495 7.286 0.209 25502 5877 1 8 . 1 1 142 142 MET N N 142 117.301 117.301 117.763 -0.462 25502 5878 1 8 . 1 1 142 142 MET HA H 142 3.938 3.938 4.279 -0.341 25502 5879 1 8 . 1 1 142 142 MET CA C 142 59.610 59.610 59.253 0.357 25502 5880 1 8 . 1 1 142 142 MET CB C 142 33.678 33.678 32.214 1.464 25502 5881 1 8 . 1 1 142 142 MET H H 142 8.259 8.259 7.820 0.439 25502 5882 1 8 . 1 1 143 143 GLU N N 143 116.052 116.052 118.129 -2.077 25502 5883 1 8 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.095 -0.379 25502 5884 1 8 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.257 -0.075 25502 5885 1 8 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.765 1.506 25502 5886 1 8 . 1 1 143 143 GLU H H 143 7.832 7.832 8.005 -0.173 25502 5887 1 8 . 1 1 144 144 ARG N N 144 114.357 114.357 119.214 -4.857 25502 5888 1 8 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.031 -0.109 25502 5889 1 8 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.910 -0.368 25502 5890 1 8 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.147 0.156 25502 5891 1 8 . 1 1 144 144 ARG H H 144 7.034 7.034 7.319 -0.285 25502 5892 1 8 . 1 1 145 145 PHE N N 145 115.146 115.146 116.340 -1.194 25502 5893 1 8 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.810 -0.017 25502 5894 1 8 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.836 0.778 25502 5895 1 8 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.280 -0.367 25502 5896 1 8 . 1 1 145 145 PHE H H 145 7.624 7.624 8.087 -0.463 25502 5897 1 8 . 1 1 146 146 GLY N N 146 104.498 104.498 107.180 -2.682 25502 5898 1 8 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.539 0.610 25502 5899 1 8 . 1 1 146 146 GLY H H 146 7.514 7.514 7.515 -0.001 25502 5900 1 8 . 1 1 147 147 SER N N 147 109.815 109.815 114.658 -4.843 25502 5901 1 8 . 1 1 147 147 SER HA H 147 4.755 4.755 4.741 0.014 25502 5902 1 8 . 1 1 147 147 SER CA C 147 58.033 58.033 56.082 1.951 25502 5903 1 8 . 1 1 147 147 SER H H 147 8.190 8.190 8.332 -0.142 25502 5904 1 8 . 1 1 148 148 ARG N N 148 119.789 119.789 125.699 -5.910 25502 5905 1 8 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.312 -0.145 25502 5906 1 8 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.795 2.696 25502 5907 1 8 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.652 2.010 25502 5908 1 8 . 1 1 148 148 ARG H H 148 8.795 8.795 8.839 -0.044 25502 5909 1 8 . 1 1 149 149 ASN N N 149 111.378 111.378 118.266 -6.888 25502 5910 1 8 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.704 0.130 25502 5911 1 8 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.516 -1.396 25502 5912 1 8 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.831 -1.590 25502 5913 1 8 . 1 1 149 149 ASN H H 149 7.841 7.841 8.527 -0.686 25502 5914 1 8 . 1 1 150 150 GLY N N 150 109.893 109.893 107.780 2.113 25502 5915 1 8 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.407 -0.510 25502 5916 1 8 . 1 1 150 150 GLY H H 150 8.040 8.040 7.803 0.237 25502 5917 1 8 . 1 1 151 151 LYS N N 151 119.608 119.608 122.479 -2.871 25502 5918 1 8 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.503 -0.098 25502 5919 1 8 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.000 0.045 25502 5920 1 8 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.073 -0.804 25502 5921 1 8 . 1 1 151 151 LYS H H 151 7.525 7.525 8.401 -0.876 25502 5922 1 8 . 1 1 152 152 THR N N 152 116.317 116.317 110.667 5.650 25502 5923 1 8 . 1 1 152 152 THR HA H 152 5.532 5.532 4.775 0.757 25502 5924 1 8 . 1 1 152 152 THR CA C 152 59.953 59.953 59.930 0.023 25502 5925 1 8 . 1 1 152 152 THR CB C 152 71.108 71.108 71.895 -0.787 25502 5926 1 8 . 1 1 152 152 THR H H 152 8.823 8.823 8.018 0.805 25502 5927 1 8 . 1 1 153 153 SER N N 153 116.804 116.804 117.514 -0.710 25502 5928 1 8 . 1 1 153 153 SER HA H 153 4.456 4.456 4.498 -0.042 25502 5929 1 8 . 1 1 153 153 SER CA C 153 58.712 58.712 60.726 -2.014 25502 5930 1 8 . 1 1 153 153 SER CB C 153 63.477 63.477 63.615 -0.138 25502 5931 1 8 . 1 1 153 153 SER H H 153 9.412 9.412 9.030 0.382 25502 5932 1 8 . 1 1 154 154 LYS N N 154 119.068 119.068 121.098 -2.030 25502 5933 1 8 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.466 0.066 25502 5934 1 8 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.650 -1.250 25502 5935 1 8 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.957 4.449 25502 5936 1 8 . 1 1 154 154 LYS H H 154 7.527 7.527 7.555 -0.028 25502 5937 1 8 . 1 1 155 155 LYS N N 155 121.541 121.541 121.127 0.414 25502 5938 1 8 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.605 -0.292 25502 5939 1 8 . 1 1 155 155 LYS CA C 155 56.147 56.147 54.827 1.320 25502 5940 1 8 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.877 -0.889 25502 5941 1 8 . 1 1 155 155 LYS H H 155 8.791 8.791 8.357 0.434 25502 5942 1 8 . 1 1 156 156 ILE N N 156 133.980 133.980 129.067 4.913 25502 5943 1 8 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.183 -0.090 25502 5944 1 8 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.677 -1.413 25502 5945 1 8 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.975 -2.135 25502 5946 1 8 . 1 1 156 156 ILE H H 156 9.606 9.606 8.996 0.610 25502 5947 1 8 . 1 1 157 157 THR N N 157 116.977 116.977 120.415 -3.438 25502 5948 1 8 . 1 1 157 157 THR HA H 157 5.274 5.274 5.280 -0.006 25502 5949 1 8 . 1 1 157 157 THR CA C 157 59.475 59.475 59.521 -0.046 25502 5950 1 8 . 1 1 157 157 THR CB C 157 72.475 72.475 72.195 0.280 25502 5951 1 8 . 1 1 157 157 THR H H 157 9.233 9.233 9.147 0.086 25502 5952 1 8 . 1 1 158 158 ILE N N 158 121.529 121.529 123.123 -1.594 25502 5953 1 8 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.936 -0.694 25502 5954 1 8 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.704 0.164 25502 5955 1 8 . 1 1 158 158 ILE CB C 158 36.790 36.790 37.330 -0.539 25502 5956 1 8 . 1 1 158 158 ILE H H 158 8.580 8.580 8.135 0.445 25502 5957 1 8 . 1 1 159 159 ALA N N 159 132.313 132.313 131.312 1.001 25502 5958 1 8 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.186 -0.062 25502 5959 1 8 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.909 0.164 25502 5960 1 8 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.702 -0.689 25502 5961 1 8 . 1 1 159 159 ALA H H 159 8.873 8.873 8.297 0.576 25502 5962 1 8 . 1 1 160 160 ASP N N 160 111.257 111.257 115.993 -4.736 25502 5963 1 8 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.683 0.207 25502 5964 1 8 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.752 -1.113 25502 5965 1 8 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.383 0.204 25502 5966 1 8 . 1 1 160 160 ASP H H 160 8.066 8.066 7.930 0.136 25502 5967 1 8 . 1 1 161 161 CYS N N 161 115.837 115.837 116.385 -0.548 25502 5968 1 8 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.044 1.500 25502 5969 1 8 . 1 1 161 161 CYS CA C 161 55.148 55.148 56.080 -0.932 25502 5970 1 8 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.085 0.052 25502 5971 1 8 . 1 1 161 161 CYS H H 161 8.591 8.591 8.218 0.373 25502 5972 1 8 . 1 1 162 162 GLY N N 162 103.888 103.888 107.623 -3.735 25502 5973 1 8 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.028 0.321 25502 5974 1 8 . 1 1 162 162 GLY H H 162 6.844 6.844 6.839 0.005 25502 5975 1 8 . 1 1 163 163 GLN N N 163 120.718 120.718 120.620 0.098 25502 5976 1 8 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.606 0.463 25502 5977 1 8 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.878 -2.069 25502 5978 1 8 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.324 1.266 25502 5979 1 8 . 1 1 163 163 GLN H H 163 9.066 9.066 8.479 0.587 25502 5980 1 8 . 1 1 164 164 LEU N N 164 125.816 125.816 126.626 -0.810 25502 5981 1 8 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.434 0.173 25502 5982 1 8 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.071 -1.332 25502 5983 1 8 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.062 1.300 25502 5984 1 8 . 1 1 164 164 LEU H H 164 8.593 8.593 9.129 -0.536 25502 5985 1 9 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.339 -0.163 25502 5986 1 9 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.106 -0.614 25502 5987 1 9 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.255 -0.129 25502 5988 1 9 . 1 1 3 3 ASN N N 3 126.515 126.515 125.372 1.143 25502 5989 1 9 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.122 0.015 25502 5990 1 9 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.261 -0.253 25502 5991 1 9 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.835 -2.036 25502 5992 1 9 . 1 1 3 3 ASN H H 3 8.600 8.600 8.378 0.222 25502 5993 1 9 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.456 0.297 25502 5994 1 9 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.840 -0.171 25502 5995 1 9 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.641 0.497 25502 5996 1 9 . 1 1 5 5 THR N N 5 114.826 114.826 116.339 -1.513 25502 5997 1 9 . 1 1 5 5 THR HA H 5 5.716 5.716 4.990 0.726 25502 5998 1 9 . 1 1 5 5 THR CA C 5 60.698 60.698 61.555 -0.857 25502 5999 1 9 . 1 1 5 5 THR CB C 5 41.142 41.142 72.344 -31.202 25502 6000 1 9 . 1 1 5 5 THR H H 5 8.771 8.771 8.064 0.707 25502 6001 1 9 . 1 1 6 6 VAL N N 6 120.113 120.113 123.916 -3.803 25502 6002 1 9 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.295 0.044 25502 6003 1 9 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.371 -0.574 25502 6004 1 9 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.352 0.783 25502 6005 1 9 . 1 1 6 6 VAL H H 6 8.741 8.741 8.335 0.406 25502 6006 1 9 . 1 1 7 7 PHE N N 7 118.968 118.968 122.476 -3.508 25502 6007 1 9 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.079 0.816 25502 6008 1 9 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.236 0.452 25502 6009 1 9 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.871 1.172 25502 6010 1 9 . 1 1 7 7 PHE H H 7 8.954 8.954 8.133 0.821 25502 6011 1 9 . 1 1 8 8 PHE N N 8 116.774 116.774 120.886 -4.112 25502 6012 1 9 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.871 0.446 25502 6013 1 9 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.073 -3.650 25502 6014 1 9 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.481 1.389 25502 6015 1 9 . 1 1 8 8 PHE H H 8 9.540 9.540 8.608 0.932 25502 6016 1 9 . 1 1 9 9 ASP N N 9 123.959 123.959 124.849 -0.890 25502 6017 1 9 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.661 0.872 25502 6018 1 9 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.456 -0.691 25502 6019 1 9 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.255 0.058 25502 6020 1 9 . 1 1 9 9 ASP H H 9 9.266 9.266 8.955 0.311 25502 6021 1 9 . 1 1 10 10 ILE N N 10 124.122 124.122 126.178 -2.056 25502 6022 1 9 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.529 0.643 25502 6023 1 9 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.606 -2.447 25502 6024 1 9 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.265 0.438 25502 6025 1 9 . 1 1 10 10 ILE H H 10 9.030 9.030 8.173 0.857 25502 6026 1 9 . 1 1 11 11 ALA N N 11 132.244 132.244 130.726 1.518 25502 6027 1 9 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.822 0.343 25502 6028 1 9 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.834 -0.170 25502 6029 1 9 . 1 1 11 11 ALA CB C 11 52.561 52.561 21.724 30.837 25502 6030 1 9 . 1 1 11 11 ALA H H 11 9.603 9.603 9.247 0.356 25502 6031 1 9 . 1 1 12 12 VAL N N 12 118.199 118.199 125.219 -7.020 25502 6032 1 9 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.765 -0.254 25502 6033 1 9 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.963 -0.537 25502 6034 1 9 . 1 1 12 12 VAL CB C 12 33.181 33.181 31.699 1.482 25502 6035 1 9 . 1 1 12 12 VAL H H 12 8.943 8.943 8.892 0.051 25502 6036 1 9 . 1 1 13 13 ASP N N 13 130.748 130.748 129.512 1.236 25502 6037 1 9 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.268 0.052 25502 6038 1 9 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.425 0.401 25502 6039 1 9 . 1 1 13 13 ASP CB C 13 39.835 39.835 39.959 -0.124 25502 6040 1 9 . 1 1 13 13 ASP H H 13 9.846 9.846 8.903 0.943 25502 6041 1 9 . 1 1 14 14 GLY N N 14 101.493 101.493 103.979 -2.486 25502 6042 1 9 . 1 1 14 14 GLY CA C 14 45.082 45.082 45.128 -0.046 25502 6043 1 9 . 1 1 14 14 GLY H H 14 8.558 8.558 8.683 -0.125 25502 6044 1 9 . 1 1 15 15 GLU N N 15 123.014 123.014 121.650 1.364 25502 6045 1 9 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.711 0.125 25502 6046 1 9 . 1 1 15 15 GLU CA C 15 52.753 52.753 53.117 -0.364 25502 6047 1 9 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.806 -0.570 25502 6048 1 9 . 1 1 15 15 GLU H H 15 8.046 8.046 7.614 0.432 25502 6049 1 9 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.927 -0.751 25502 6050 1 9 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.959 1.587 25502 6051 1 9 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.264 29.847 25502 6052 1 9 . 1 1 17 17 LEU N N 17 125.784 125.784 123.662 2.122 25502 6053 1 9 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.156 0.531 25502 6054 1 9 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.451 -1.103 25502 6055 1 9 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.562 1.595 25502 6056 1 9 . 1 1 17 17 LEU H H 17 9.189 9.189 8.386 0.803 25502 6057 1 9 . 1 1 18 18 GLY N N 18 102.200 102.200 104.460 -2.260 25502 6058 1 9 . 1 1 18 18 GLY CA C 18 44.969 44.969 45.016 -0.046 25502 6059 1 9 . 1 1 18 18 GLY H H 18 7.256 7.256 7.447 -0.191 25502 6060 1 9 . 1 1 19 19 ARG N N 19 120.995 120.995 122.503 -1.508 25502 6061 1 9 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.794 0.828 25502 6062 1 9 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.003 0.012 25502 6063 1 9 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.987 0.353 25502 6064 1 9 . 1 1 19 19 ARG H H 19 8.320 8.320 8.301 0.019 25502 6065 1 9 . 1 1 20 20 VAL N N 20 126.616 126.616 123.986 2.630 25502 6066 1 9 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.781 -0.178 25502 6067 1 9 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.495 -1.554 25502 6068 1 9 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.391 1.492 25502 6069 1 9 . 1 1 20 20 VAL H H 20 9.364 9.364 8.607 0.757 25502 6070 1 9 . 1 1 21 21 SER N N 21 120.061 120.061 120.411 -0.350 25502 6071 1 9 . 1 1 21 21 SER HA H 21 5.515 5.515 5.189 0.326 25502 6072 1 9 . 1 1 21 21 SER CA C 21 55.317 55.317 55.663 -0.346 25502 6073 1 9 . 1 1 21 21 SER CB C 21 36.773 36.773 66.185 -29.412 25502 6074 1 9 . 1 1 21 21 SER H H 21 8.768 8.768 7.926 0.842 25502 6075 1 9 . 1 1 22 22 PHE N N 22 118.878 118.878 117.672 1.206 25502 6076 1 9 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.181 0.056 25502 6077 1 9 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.881 -1.193 25502 6078 1 9 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.306 -0.731 25502 6079 1 9 . 1 1 22 22 PHE H H 22 9.508 9.508 9.104 0.404 25502 6080 1 9 . 1 1 23 23 GLU N N 23 122.926 122.926 123.296 -0.370 25502 6081 1 9 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.583 0.166 25502 6082 1 9 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.880 0.069 25502 6083 1 9 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.580 1.049 25502 6084 1 9 . 1 1 23 23 GLU H H 23 8.740 8.740 9.033 -0.293 25502 6085 1 9 . 1 1 24 24 LEU N N 24 122.262 122.262 128.396 -6.134 25502 6086 1 9 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.524 0.173 25502 6087 1 9 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.260 -2.709 25502 6088 1 9 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.494 0.626 25502 6089 1 9 . 1 1 24 24 LEU H H 24 8.185 8.185 8.016 0.169 25502 6090 1 9 . 1 1 25 25 PHE N N 25 124.423 124.423 124.828 -0.405 25502 6091 1 9 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.592 0.516 25502 6092 1 9 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.414 -3.124 25502 6093 1 9 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.391 -0.430 25502 6094 1 9 . 1 1 25 25 PHE H H 25 8.815 8.815 9.311 -0.496 25502 6095 1 9 . 1 1 26 26 ALA N N 26 128.683 128.683 125.798 2.885 25502 6096 1 9 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.194 -0.423 25502 6097 1 9 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.459 -0.173 25502 6098 1 9 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.476 0.149 25502 6099 1 9 . 1 1 26 26 ALA H H 26 8.433 8.433 8.316 0.117 25502 6100 1 9 . 1 1 27 27 ASP N N 27 114.069 114.069 116.757 -2.688 25502 6101 1 9 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.505 -0.262 25502 6102 1 9 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.268 -0.940 25502 6103 1 9 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.857 -2.002 25502 6104 1 9 . 1 1 27 27 ASP H H 27 9.052 9.052 8.573 0.479 25502 6105 1 9 . 1 1 28 28 LYS N N 28 117.763 117.763 118.170 -0.407 25502 6106 1 9 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.447 0.124 25502 6107 1 9 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.858 -0.627 25502 6108 1 9 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.893 1.029 25502 6109 1 9 . 1 1 28 28 LYS H H 28 7.545 7.545 7.938 -0.393 25502 6110 1 9 . 1 1 29 29 VAL N N 29 114.212 114.212 115.145 -0.933 25502 6111 1 9 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.942 -0.491 25502 6112 1 9 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.430 -0.341 25502 6113 1 9 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.213 0.532 25502 6114 1 9 . 1 1 29 29 VAL H H 29 8.368 8.368 8.187 0.181 25502 6115 1 9 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.293 0.102 25502 6116 1 9 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.708 0.375 25502 6117 1 9 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.990 -0.686 25502 6118 1 9 . 1 1 31 31 LYS N N 31 123.500 123.500 118.051 5.449 25502 6119 1 9 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.081 -0.074 25502 6120 1 9 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.867 1.489 25502 6121 1 9 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.516 0.763 25502 6122 1 9 . 1 1 31 31 LYS H H 31 10.663 10.663 7.768 2.895 25502 6123 1 9 . 1 1 32 32 THR N N 32 123.707 123.707 114.050 9.657 25502 6124 1 9 . 1 1 32 32 THR HA H 32 3.988 3.988 3.563 0.425 25502 6125 1 9 . 1 1 32 32 THR CA C 32 37.678 37.678 65.060 -27.382 25502 6126 1 9 . 1 1 32 32 THR CB C 32 38.883 38.883 68.250 -29.367 25502 6127 1 9 . 1 1 32 32 THR H H 32 10.283 10.283 7.283 3.000 25502 6128 1 9 . 1 1 33 33 ALA N N 33 125.366 125.366 124.674 0.692 25502 6129 1 9 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.331 -0.294 25502 6130 1 9 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.286 0.581 25502 6131 1 9 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.346 -0.111 25502 6132 1 9 . 1 1 33 33 ALA H H 33 9.281 9.281 8.334 0.947 25502 6133 1 9 . 1 1 34 34 GLU N N 34 117.040 117.040 118.096 -1.056 25502 6134 1 9 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.861 0.648 25502 6135 1 9 . 1 1 34 34 GLU CA C 34 57.886 57.886 60.054 -2.168 25502 6136 1 9 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.470 28.433 25502 6137 1 9 . 1 1 34 34 GLU H H 34 8.027 8.027 8.503 -0.476 25502 6138 1 9 . 1 1 35 35 ASN N N 35 115.398 115.398 117.496 -2.098 25502 6139 1 9 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.478 -0.424 25502 6140 1 9 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.402 0.229 25502 6141 1 9 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.166 1.299 25502 6142 1 9 . 1 1 35 35 ASN H H 35 7.139 7.139 7.359 -0.220 25502 6143 1 9 . 1 1 36 36 PHE N N 36 117.607 117.607 121.207 -3.600 25502 6144 1 9 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.426 -0.317 25502 6145 1 9 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.434 0.957 25502 6146 1 9 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.239 0.774 25502 6147 1 9 . 1 1 36 36 PHE H H 36 7.012 7.012 7.693 -0.681 25502 6148 1 9 . 1 1 37 37 ARG N N 37 120.804 120.804 119.779 1.025 25502 6149 1 9 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.843 -0.211 25502 6150 1 9 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.735 0.646 25502 6151 1 9 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.142 -0.282 25502 6152 1 9 . 1 1 37 37 ARG H H 37 8.935 8.935 9.051 -0.116 25502 6153 1 9 . 1 1 38 38 ALA N N 38 118.869 118.869 122.457 -3.588 25502 6154 1 9 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.072 -0.003 25502 6155 1 9 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.046 -0.706 25502 6156 1 9 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.392 -0.157 25502 6157 1 9 . 1 1 38 38 ALA H H 38 8.687 8.687 8.190 0.497 25502 6158 1 9 . 1 1 39 39 LEU N N 39 120.488 120.488 118.193 2.295 25502 6159 1 9 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.792 -0.048 25502 6160 1 9 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.696 -0.581 25502 6161 1 9 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.767 -0.742 25502 6162 1 9 . 1 1 39 39 LEU H H 39 8.173 8.173 7.634 0.539 25502 6163 1 9 . 1 1 40 40 SER N N 40 118.952 118.952 115.092 3.860 25502 6164 1 9 . 1 1 40 40 SER HA H 40 4.444 4.444 3.861 0.583 25502 6165 1 9 . 1 1 40 40 SER CA C 40 62.334 62.334 61.886 0.448 25502 6166 1 9 . 1 1 40 40 SER CB C 40 62.884 62.884 62.525 0.359 25502 6167 1 9 . 1 1 40 40 SER H H 40 7.900 7.900 8.525 -0.625 25502 6168 1 9 . 1 1 41 41 THR N N 41 108.208 108.208 111.150 -2.942 25502 6169 1 9 . 1 1 41 41 THR HA H 41 4.288 4.288 4.083 0.205 25502 6170 1 9 . 1 1 41 41 THR CA C 41 62.810 62.810 64.535 -1.725 25502 6171 1 9 . 1 1 41 41 THR CB C 41 69.221 69.221 69.445 -0.224 25502 6172 1 9 . 1 1 41 41 THR H H 41 7.974 7.974 8.066 -0.092 25502 6173 1 9 . 1 1 42 42 GLY N N 42 108.122 108.122 109.545 -1.423 25502 6174 1 9 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.280 0.477 25502 6175 1 9 . 1 1 42 42 GLY H H 42 7.582 7.582 7.740 -0.158 25502 6176 1 9 . 1 1 43 43 GLU N N 43 118.454 118.454 121.612 -3.158 25502 6177 1 9 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.962 0.158 25502 6178 1 9 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.398 -0.041 25502 6179 1 9 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.126 0.816 25502 6180 1 9 . 1 1 43 43 GLU H H 43 8.009 8.009 7.811 0.198 25502 6181 1 9 . 1 1 44 44 LYS N N 44 118.055 118.055 118.843 -0.788 25502 6182 1 9 . 1 1 44 44 LYS HA H 44 4.281 4.281 4.042 0.239 25502 6183 1 9 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.046 -2.926 25502 6184 1 9 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.755 -2.459 25502 6185 1 9 . 1 1 44 44 LYS H H 44 9.102 9.102 7.514 1.588 25502 6186 1 9 . 1 1 45 45 GLY N N 45 105.305 105.305 105.656 -0.351 25502 6187 1 9 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.099 -0.568 25502 6188 1 9 . 1 1 45 45 GLY H H 45 7.939 7.939 7.988 -0.049 25502 6189 1 9 . 1 1 46 46 PHE N N 46 113.461 113.461 117.272 -3.811 25502 6190 1 9 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.741 -0.117 25502 6191 1 9 . 1 1 46 46 PHE CA C 46 53.881 53.881 57.595 -3.714 25502 6192 1 9 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.440 0.028 25502 6193 1 9 . 1 1 46 46 PHE H H 46 6.413 6.413 7.621 -1.208 25502 6194 1 9 . 1 1 47 47 GLY N N 47 104.416 104.416 108.385 -3.969 25502 6195 1 9 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.001 0.458 25502 6196 1 9 . 1 1 47 47 GLY H H 47 7.686 7.686 6.542 1.144 25502 6197 1 9 . 1 1 48 48 TYR N N 48 113.530 113.530 121.136 -7.606 25502 6198 1 9 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.483 -0.275 25502 6199 1 9 . 1 1 48 48 TYR CA C 48 57.039 57.039 56.812 0.228 25502 6200 1 9 . 1 1 48 48 TYR CB C 48 38.419 38.419 38.487 -0.068 25502 6201 1 9 . 1 1 48 48 TYR H H 48 6.887 6.887 8.257 -1.370 25502 6202 1 9 . 1 1 49 49 LYS N N 49 124.631 124.631 123.037 1.594 25502 6203 1 9 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.204 -0.609 25502 6204 1 9 . 1 1 49 49 LYS CA C 49 60.882 60.882 56.363 4.519 25502 6205 1 9 . 1 1 49 49 LYS CB C 49 31.168 31.168 30.298 0.870 25502 6206 1 9 . 1 1 49 49 LYS H H 49 8.474 8.474 7.902 0.572 25502 6207 1 9 . 1 1 50 50 GLY N N 50 117.591 117.591 110.256 7.335 25502 6208 1 9 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.167 -0.126 25502 6209 1 9 . 1 1 50 50 GLY H H 50 9.482 9.482 8.477 1.005 25502 6210 1 9 . 1 1 51 51 SER N N 51 116.156 116.156 115.105 1.051 25502 6211 1 9 . 1 1 51 51 SER HA H 51 4.658 4.658 4.615 0.043 25502 6212 1 9 . 1 1 51 51 SER CA C 51 58.682 58.682 60.750 -2.068 25502 6213 1 9 . 1 1 51 51 SER CB C 51 64.607 64.607 63.614 0.993 25502 6214 1 9 . 1 1 51 51 SER H H 51 8.397 8.397 8.750 -0.353 25502 6215 1 9 . 1 1 52 52 CYS N N 52 114.800 114.800 115.955 -1.155 25502 6216 1 9 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.844 1.051 25502 6217 1 9 . 1 1 52 52 CYS CA C 52 55.965 55.965 57.985 -2.020 25502 6218 1 9 . 1 1 52 52 CYS CB C 52 31.719 31.719 28.344 3.375 25502 6219 1 9 . 1 1 52 52 CYS H H 52 9.858 9.858 8.221 1.637 25502 6220 1 9 . 1 1 53 53 PHE N N 53 122.839 122.839 125.114 -2.275 25502 6221 1 9 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.846 0.007 25502 6222 1 9 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.132 0.951 25502 6223 1 9 . 1 1 53 53 PHE CB C 53 38.728 38.728 37.602 1.127 25502 6224 1 9 . 1 1 53 53 PHE H H 53 8.702 8.702 8.618 0.084 25502 6225 1 9 . 1 1 54 54 HIS N N 54 119.944 119.944 118.994 0.950 25502 6226 1 9 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.518 0.188 25502 6227 1 9 . 1 1 54 54 HIS CA C 54 56.985 56.985 57.601 -0.616 25502 6228 1 9 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.571 0.773 25502 6229 1 9 . 1 1 54 54 HIS H H 54 7.623 7.623 7.658 -0.035 25502 6230 1 9 . 1 1 55 55 ARG N N 55 122.758 122.758 119.219 3.539 25502 6231 1 9 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.954 0.145 25502 6232 1 9 . 1 1 55 55 ARG CA C 55 54.703 54.703 54.922 -0.220 25502 6233 1 9 . 1 1 55 55 ARG CB C 55 33.771 33.771 31.776 1.995 25502 6234 1 9 . 1 1 55 55 ARG H H 55 7.031 7.031 7.014 0.017 25502 6235 1 9 . 1 1 56 56 ILE N N 56 126.170 126.170 125.166 1.004 25502 6236 1 9 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.379 0.210 25502 6237 1 9 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.279 0.172 25502 6238 1 9 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.805 -0.173 25502 6239 1 9 . 1 1 56 56 ILE H H 56 9.166 9.166 8.382 0.784 25502 6240 1 9 . 1 1 57 57 ILE N N 57 127.731 127.731 127.172 0.559 25502 6241 1 9 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.605 0.592 25502 6242 1 9 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.794 -0.180 25502 6243 1 9 . 1 1 57 57 ILE CB C 57 40.015 40.015 40.443 -0.428 25502 6244 1 9 . 1 1 57 57 ILE H H 57 8.718 8.718 8.555 0.163 25502 6245 1 9 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.555 -0.231 25502 6246 1 9 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.043 -0.094 25502 6247 1 9 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.978 1.933 25502 6248 1 9 . 1 1 59 59 GLY N N 59 113.877 113.877 109.360 4.517 25502 6249 1 9 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.727 -0.549 25502 6250 1 9 . 1 1 59 59 GLY H H 59 9.679 9.679 8.287 1.392 25502 6251 1 9 . 1 1 60 60 PHE N N 60 118.955 118.955 121.182 -2.227 25502 6252 1 9 . 1 1 60 60 PHE HA H 60 5.093 5.093 5.135 -0.042 25502 6253 1 9 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.196 -1.451 25502 6254 1 9 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.427 -2.734 25502 6255 1 9 . 1 1 60 60 PHE H H 60 8.095 8.095 8.066 0.029 25502 6256 1 9 . 1 1 61 61 MET N N 61 110.963 110.963 111.476 -0.513 25502 6257 1 9 . 1 1 61 61 MET HA H 61 5.311 5.311 4.750 0.561 25502 6258 1 9 . 1 1 61 61 MET CA C 61 54.802 54.802 55.215 -0.413 25502 6259 1 9 . 1 1 61 61 MET CB C 61 34.892 34.892 33.893 0.999 25502 6260 1 9 . 1 1 61 61 MET H H 61 8.088 8.088 7.691 0.397 25502 6261 1 9 . 1 1 62 62 CYS N N 62 114.627 114.627 118.420 -3.793 25502 6262 1 9 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.859 0.014 25502 6263 1 9 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.835 -0.500 25502 6264 1 9 . 1 1 62 62 CYS CB C 62 60.060 60.060 31.371 28.689 25502 6265 1 9 . 1 1 62 62 CYS H H 62 8.474 8.474 8.669 -0.195 25502 6266 1 9 . 1 1 63 63 GLN N N 63 126.463 126.463 118.646 7.817 25502 6267 1 9 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.818 0.558 25502 6268 1 9 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.870 -1.346 25502 6269 1 9 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.743 -2.343 25502 6270 1 9 . 1 1 63 63 GLN H H 63 9.651 9.651 8.491 1.160 25502 6271 1 9 . 1 1 64 64 GLY N N 64 110.531 110.531 109.756 0.775 25502 6272 1 9 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.073 -0.673 25502 6273 1 9 . 1 1 64 64 GLY H H 64 7.352 7.352 7.506 -0.154 25502 6274 1 9 . 1 1 65 65 GLY N N 65 105.572 105.572 111.372 -5.800 25502 6275 1 9 . 1 1 65 65 GLY CA C 65 46.425 46.425 45.390 1.035 25502 6276 1 9 . 1 1 65 65 GLY H H 65 9.292 9.292 7.639 1.653 25502 6277 1 9 . 1 1 66 66 ASP N N 66 123.656 123.656 121.771 1.885 25502 6278 1 9 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.942 -0.652 25502 6279 1 9 . 1 1 66 66 ASP CA C 66 51.505 51.505 54.516 -3.011 25502 6280 1 9 . 1 1 66 66 ASP CB C 66 38.702 38.702 44.767 -6.065 25502 6281 1 9 . 1 1 66 66 ASP H H 66 9.910 9.910 8.529 1.381 25502 6282 1 9 . 1 1 67 67 PHE N N 67 115.914 115.914 117.301 -1.387 25502 6283 1 9 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.965 -0.368 25502 6284 1 9 . 1 1 67 67 PHE CA C 67 55.784 55.784 58.253 -2.469 25502 6285 1 9 . 1 1 67 67 PHE CB C 67 39.357 39.357 38.614 0.743 25502 6286 1 9 . 1 1 67 67 PHE H H 67 6.624 6.624 8.235 -1.611 25502 6287 1 9 . 1 1 68 68 THR N N 68 108.853 108.853 111.030 -2.177 25502 6288 1 9 . 1 1 68 68 THR HA H 68 4.638 4.638 4.312 0.326 25502 6289 1 9 . 1 1 68 68 THR CA C 68 61.621 61.621 62.287 -0.666 25502 6290 1 9 . 1 1 68 68 THR CB C 68 68.789 68.789 69.519 -0.730 25502 6291 1 9 . 1 1 68 68 THR H H 68 7.320 7.320 8.213 -0.893 25502 6292 1 9 . 1 1 69 69 ARG N N 69 121.780 121.780 121.260 0.520 25502 6293 1 9 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.644 -0.282 25502 6294 1 9 . 1 1 69 69 ARG CA C 69 55.028 55.028 55.406 -0.378 25502 6295 1 9 . 1 1 69 69 ARG CB C 69 61.533 61.533 31.193 30.340 25502 6296 1 9 . 1 1 69 69 ARG H H 69 8.655 8.655 7.858 0.797 25502 6297 1 9 . 1 1 70 70 HIS N N 70 112.009 112.009 118.927 -6.918 25502 6298 1 9 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.528 -0.130 25502 6299 1 9 . 1 1 70 70 HIS CA C 70 57.135 57.135 57.203 -0.068 25502 6300 1 9 . 1 1 70 70 HIS CB C 70 58.434 58.434 30.547 27.887 25502 6301 1 9 . 1 1 70 70 HIS H H 70 6.838 6.838 8.545 -1.707 25502 6302 1 9 . 1 1 71 71 ASN N N 71 112.340 112.340 117.236 -4.896 25502 6303 1 9 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.797 -0.202 25502 6304 1 9 . 1 1 71 71 ASN CA C 71 52.160 52.160 52.665 -0.505 25502 6305 1 9 . 1 1 71 71 ASN CB C 71 38.707 38.707 38.956 -0.249 25502 6306 1 9 . 1 1 71 71 ASN H H 71 7.519 7.519 8.042 -0.523 25502 6307 1 9 . 1 1 72 72 GLY N N 72 110.239 110.239 109.557 0.682 25502 6308 1 9 . 1 1 72 72 GLY CA C 72 44.573 44.573 44.992 -0.419 25502 6309 1 9 . 1 1 72 72 GLY H H 72 9.619 9.619 8.409 1.210 25502 6310 1 9 . 1 1 73 73 THR N N 73 111.802 111.802 112.952 -1.150 25502 6311 1 9 . 1 1 73 73 THR HA H 73 4.487 4.487 4.558 -0.071 25502 6312 1 9 . 1 1 73 73 THR CA C 73 62.070 62.070 61.314 0.756 25502 6313 1 9 . 1 1 73 73 THR CB C 73 40.762 40.762 69.358 -28.596 25502 6314 1 9 . 1 1 73 73 THR H H 73 7.930 7.930 8.255 -0.325 25502 6315 1 9 . 1 1 74 74 GLY N N 74 113.668 113.668 109.991 3.677 25502 6316 1 9 . 1 1 74 74 GLY CA C 74 44.908 44.908 45.226 -0.318 25502 6317 1 9 . 1 1 74 74 GLY H H 74 8.669 8.669 7.893 0.776 25502 6318 1 9 . 1 1 75 75 GLY N N 75 108.813 108.813 107.985 0.828 25502 6319 1 9 . 1 1 75 75 GLY CA C 75 43.037 43.037 45.416 -2.379 25502 6320 1 9 . 1 1 75 75 GLY H H 75 8.066 8.066 7.822 0.244 25502 6321 1 9 . 1 1 76 76 LYS N N 76 115.526 115.526 121.255 -5.729 25502 6322 1 9 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.521 0.064 25502 6323 1 9 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.787 0.920 25502 6324 1 9 . 1 1 76 76 LYS CB C 76 34.515 34.515 35.023 -0.508 25502 6325 1 9 . 1 1 76 76 LYS H H 76 6.981 6.981 7.749 -0.768 25502 6326 1 9 . 1 1 77 77 SER N N 77 114.105 114.105 116.580 -2.475 25502 6327 1 9 . 1 1 77 77 SER HA H 77 5.185 5.185 4.466 0.719 25502 6328 1 9 . 1 1 77 77 SER CA C 77 56.816 56.816 58.864 -2.048 25502 6329 1 9 . 1 1 77 77 SER CB C 77 38.963 38.963 63.497 -24.534 25502 6330 1 9 . 1 1 78 78 ILE N N 78 110.963 110.963 116.173 -5.210 25502 6331 1 9 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.859 0.311 25502 6332 1 9 . 1 1 78 78 ILE CA C 78 63.517 63.517 63.703 -0.187 25502 6333 1 9 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.901 -0.593 25502 6334 1 9 . 1 1 78 78 ILE H H 78 8.557 8.557 8.397 0.160 25502 6335 1 9 . 1 1 79 79 TYR N N 79 120.472 120.472 118.117 2.355 25502 6336 1 9 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.430 0.237 25502 6337 1 9 . 1 1 79 79 TYR CA C 79 56.147 56.147 59.559 -3.412 25502 6338 1 9 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.127 -0.402 25502 6339 1 9 . 1 1 79 79 TYR H H 79 8.007 8.007 7.944 0.063 25502 6340 1 9 . 1 1 80 80 GLY N N 80 106.402 106.402 105.280 1.122 25502 6341 1 9 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.503 -1.755 25502 6342 1 9 . 1 1 80 80 GLY H H 80 7.115 7.115 7.280 -0.165 25502 6343 1 9 . 1 1 81 81 GLU N N 81 122.838 122.838 119.512 3.326 25502 6344 1 9 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.209 -0.263 25502 6345 1 9 . 1 1 81 81 GLU CA C 81 60.138 60.138 57.955 2.183 25502 6346 1 9 . 1 1 81 81 GLU CB C 81 30.108 30.108 30.156 -0.048 25502 6347 1 9 . 1 1 81 81 GLU H H 81 8.878 8.878 8.437 0.441 25502 6348 1 9 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.243 1.282 25502 6349 1 9 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.155 -1.380 25502 6350 1 9 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.546 2.765 25502 6351 1 9 . 1 1 82 82 LYS H H 82 7.799 7.799 7.305 0.494 25502 6352 1 9 . 1 1 83 83 PHE N N 83 116.432 116.432 117.751 -1.319 25502 6353 1 9 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.786 0.159 25502 6354 1 9 . 1 1 83 83 PHE CA C 83 55.737 55.737 56.782 -1.045 25502 6355 1 9 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.475 0.819 25502 6356 1 9 . 1 1 83 83 PHE H H 83 9.147 9.147 8.107 1.040 25502 6357 1 9 . 1 1 84 84 GLU N N 84 119.352 119.352 118.540 0.812 25502 6358 1 9 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.408 -0.606 25502 6359 1 9 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.014 1.183 25502 6360 1 9 . 1 1 84 84 GLU CB C 84 29.105 29.105 31.271 -2.166 25502 6361 1 9 . 1 1 84 84 GLU H H 84 9.252 9.252 8.376 0.876 25502 6362 1 9 . 1 1 85 85 ASP N N 85 118.583 118.583 120.540 -1.957 25502 6363 1 9 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.465 -0.239 25502 6364 1 9 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.292 -1.318 25502 6365 1 9 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.293 -0.508 25502 6366 1 9 . 1 1 85 85 ASP H H 85 8.593 8.593 8.404 0.189 25502 6367 1 9 . 1 1 86 86 GLU N N 86 131.488 131.488 126.072 5.416 25502 6368 1 9 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.079 -0.284 25502 6369 1 9 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.605 2.668 25502 6370 1 9 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.535 1.104 25502 6371 1 9 . 1 1 86 86 GLU H H 86 9.461 9.461 8.982 0.479 25502 6372 1 9 . 1 1 87 87 ASN N N 87 106.549 106.549 112.229 -5.680 25502 6373 1 9 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.872 0.258 25502 6374 1 9 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.033 0.556 25502 6375 1 9 . 1 1 87 87 ASN CB C 87 39.349 39.349 38.943 0.406 25502 6376 1 9 . 1 1 87 87 ASN H H 87 7.044 7.044 7.477 -0.433 25502 6377 1 9 . 1 1 88 88 PHE N N 88 112.731 112.731 114.523 -1.792 25502 6378 1 9 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.930 0.997 25502 6379 1 9 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.290 -0.602 25502 6380 1 9 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.740 0.080 25502 6381 1 9 . 1 1 88 88 PHE H H 88 8.319 8.319 7.970 0.349 25502 6382 1 9 . 1 1 89 89 ILE N N 89 119.556 119.556 120.937 -1.381 25502 6383 1 9 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.839 -0.187 25502 6384 1 9 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.726 1.161 25502 6385 1 9 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.657 1.282 25502 6386 1 9 . 1 1 89 89 ILE H H 89 8.302 8.302 7.882 0.420 25502 6387 1 9 . 1 1 90 90 LEU N N 90 116.951 116.951 119.866 -2.915 25502 6388 1 9 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.343 0.113 25502 6389 1 9 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.196 0.989 25502 6390 1 9 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.661 1.249 25502 6391 1 9 . 1 1 90 90 LEU H H 90 7.746 7.746 7.800 -0.054 25502 6392 1 9 . 1 1 91 91 LYS N N 91 118.722 118.722 121.173 -2.451 25502 6393 1 9 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.147 0.481 25502 6394 1 9 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.628 -1.313 25502 6395 1 9 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.712 0.837 25502 6396 1 9 . 1 1 91 91 LYS H H 91 8.057 8.057 7.934 0.123 25502 6397 1 9 . 1 1 92 92 HIS N N 92 122.221 122.221 119.492 2.729 25502 6398 1 9 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.332 0.010 25502 6399 1 9 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.242 -0.486 25502 6400 1 9 . 1 1 92 92 HIS CB C 92 25.895 25.895 28.229 -2.334 25502 6401 1 9 . 1 1 92 92 HIS H H 92 10.706 10.706 8.277 2.429 25502 6402 1 9 . 1 1 93 93 THR N N 93 110.178 110.178 113.990 -3.812 25502 6403 1 9 . 1 1 93 93 THR HA H 93 4.004 4.004 4.450 -0.446 25502 6404 1 9 . 1 1 93 93 THR CA C 93 63.018 63.018 61.103 1.915 25502 6405 1 9 . 1 1 93 93 THR CB C 93 69.341 69.341 69.466 -0.125 25502 6406 1 9 . 1 1 93 93 THR H H 93 7.261 7.261 7.841 -0.580 25502 6407 1 9 . 1 1 94 94 GLY N N 94 106.990 106.990 109.637 -2.647 25502 6408 1 9 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.414 1.040 25502 6409 1 9 . 1 1 94 94 GLY H H 94 7.489 7.489 7.551 -0.062 25502 6410 1 9 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.401 -0.597 25502 6411 1 9 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.862 -0.323 25502 6412 1 9 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.456 29.496 25502 6413 1 9 . 1 1 96 96 GLY N N 96 109.908 109.908 107.915 1.993 25502 6414 1 9 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.865 -1.036 25502 6415 1 9 . 1 1 96 96 GLY H H 96 9.271 9.271 8.786 0.485 25502 6416 1 9 . 1 1 97 97 ILE N N 97 121.176 121.176 119.457 1.719 25502 6417 1 9 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.387 -0.272 25502 6418 1 9 . 1 1 97 97 ILE CA C 97 59.311 59.311 58.960 0.351 25502 6419 1 9 . 1 1 97 97 ILE CB C 97 37.758 37.758 39.748 -1.990 25502 6420 1 9 . 1 1 97 97 ILE H H 97 6.765 6.765 7.686 -0.921 25502 6421 1 9 . 1 1 98 98 LEU N N 98 128.477 128.477 126.214 2.263 25502 6422 1 9 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.702 0.296 25502 6423 1 9 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.362 -0.129 25502 6424 1 9 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.272 -0.647 25502 6425 1 9 . 1 1 98 98 LEU H H 98 7.872 7.872 8.186 -0.314 25502 6426 1 9 . 1 1 99 99 SER N N 99 118.325 118.325 113.988 4.337 25502 6427 1 9 . 1 1 99 99 SER HA H 99 5.316 5.316 4.832 0.484 25502 6428 1 9 . 1 1 99 99 SER CA C 99 54.909 54.909 56.577 -1.668 25502 6429 1 9 . 1 1 99 99 SER CB C 99 65.380 65.380 64.550 0.830 25502 6430 1 9 . 1 1 99 99 SER H H 99 8.285 8.285 7.908 0.377 25502 6431 1 9 . 1 1 100 100 MET N N 100 122.826 122.826 119.212 3.614 25502 6432 1 9 . 1 1 100 100 MET HA H 100 5.259 5.259 4.634 0.625 25502 6433 1 9 . 1 1 100 100 MET CA C 100 53.800 53.800 54.528 -0.728 25502 6434 1 9 . 1 1 100 100 MET CB C 100 30.960 30.960 36.661 -5.701 25502 6435 1 9 . 1 1 100 100 MET H H 100 8.544 8.544 8.050 0.494 25502 6436 1 9 . 1 1 101 101 ALA N N 101 125.971 125.971 123.072 2.899 25502 6437 1 9 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.594 -0.318 25502 6438 1 9 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.559 -0.062 25502 6439 1 9 . 1 1 101 101 ALA CB C 101 19.403 19.403 21.974 -2.571 25502 6440 1 9 . 1 1 101 101 ALA H H 101 7.999 7.999 8.249 -0.250 25502 6441 1 9 . 1 1 102 102 ASN N N 102 113.207 113.207 117.864 -4.657 25502 6442 1 9 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.663 -0.087 25502 6443 1 9 . 1 1 102 102 ASN CA C 102 53.841 53.841 54.573 -0.732 25502 6444 1 9 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.474 0.905 25502 6445 1 9 . 1 1 102 102 ASN H H 102 8.097 8.097 8.921 -0.824 25502 6446 1 9 . 1 1 103 103 ALA N N 103 123.056 123.056 119.998 3.058 25502 6447 1 9 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.621 0.164 25502 6448 1 9 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.520 -2.366 25502 6449 1 9 . 1 1 103 103 ALA CB C 103 19.029 19.029 20.043 -1.014 25502 6450 1 9 . 1 1 103 103 ALA H H 103 8.787 8.787 8.288 0.499 25502 6451 1 9 . 1 1 104 104 GLY N N 104 108.942 108.942 108.275 0.667 25502 6452 1 9 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.412 -2.003 25502 6453 1 9 . 1 1 104 104 GLY H H 104 8.111 8.111 8.467 -0.356 25502 6454 1 9 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.521 -0.194 25502 6455 1 9 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.097 0.786 25502 6456 1 9 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.705 1.197 25502 6457 1 9 . 1 1 106 106 ASN N N 106 118.866 118.866 121.093 -2.227 25502 6458 1 9 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.408 -0.411 25502 6459 1 9 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.451 -0.348 25502 6460 1 9 . 1 1 106 106 ASN CB C 106 36.992 36.992 36.480 0.512 25502 6461 1 9 . 1 1 106 106 ASN H H 106 8.866 8.866 8.915 -0.049 25502 6462 1 9 . 1 1 107 107 THR N N 107 109.971 109.971 108.225 1.746 25502 6463 1 9 . 1 1 107 107 THR HA H 107 4.434 4.434 4.598 -0.164 25502 6464 1 9 . 1 1 107 107 THR CA C 107 60.040 60.040 60.776 -0.736 25502 6465 1 9 . 1 1 107 107 THR CB C 107 39.196 39.196 69.887 -30.691 25502 6466 1 9 . 1 1 107 107 THR H H 107 10.165 10.165 7.855 2.310 25502 6467 1 9 . 1 1 108 108 ASN N N 108 120.251 120.251 121.216 -0.965 25502 6468 1 9 . 1 1 108 108 ASN HA H 108 4.215 4.215 5.044 -0.829 25502 6469 1 9 . 1 1 108 108 ASN CA C 108 55.448 55.448 52.764 2.684 25502 6470 1 9 . 1 1 108 108 ASN CB C 108 39.600 39.600 39.270 0.329 25502 6471 1 9 . 1 1 108 108 ASN H H 108 7.349 7.349 7.807 -0.458 25502 6472 1 9 . 1 1 109 109 GLY N N 109 110.632 110.632 109.529 1.103 25502 6473 1 9 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.394 0.645 25502 6474 1 9 . 1 1 109 109 GLY H H 109 9.188 9.188 8.649 0.539 25502 6475 1 9 . 1 1 110 110 SER N N 110 116.806 116.806 115.515 1.291 25502 6476 1 9 . 1 1 110 110 SER HA H 110 4.698 4.698 4.729 -0.031 25502 6477 1 9 . 1 1 110 110 SER CA C 110 57.454 57.454 58.069 -0.615 25502 6478 1 9 . 1 1 110 110 SER CB C 110 65.964 65.964 64.679 1.285 25502 6479 1 9 . 1 1 110 110 SER H H 110 8.738 8.738 8.470 0.268 25502 6480 1 9 . 1 1 111 111 GLN N N 111 124.263 124.263 121.015 3.248 25502 6481 1 9 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.365 0.803 25502 6482 1 9 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.028 3.466 25502 6483 1 9 . 1 1 111 111 GLN CB C 111 31.632 31.632 28.926 2.706 25502 6484 1 9 . 1 1 111 111 GLN H H 111 8.388 8.388 8.220 0.168 25502 6485 1 9 . 1 1 112 112 PHE N N 112 117.560 117.560 118.210 -0.650 25502 6486 1 9 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.928 1.786 25502 6487 1 9 . 1 1 112 112 PHE CA C 112 55.447 55.447 56.937 -1.490 25502 6488 1 9 . 1 1 112 112 PHE CB C 112 43.000 43.000 38.502 4.498 25502 6489 1 9 . 1 1 112 112 PHE H H 112 8.058 8.058 7.352 0.706 25502 6490 1 9 . 1 1 113 113 PHE N N 113 116.199 116.199 113.558 2.641 25502 6491 1 9 . 1 1 113 113 PHE HA H 113 5.670 5.670 5.161 0.509 25502 6492 1 9 . 1 1 113 113 PHE CA C 113 54.437 54.437 56.066 -1.629 25502 6493 1 9 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.189 1.428 25502 6494 1 9 . 1 1 113 113 PHE H H 113 9.795 9.795 7.454 2.341 25502 6495 1 9 . 1 1 114 114 ILE N N 114 118.391 118.391 121.931 -3.540 25502 6496 1 9 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.115 0.679 25502 6497 1 9 . 1 1 114 114 ILE CA C 114 60.060 60.060 63.296 -3.236 25502 6498 1 9 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.875 1.287 25502 6499 1 9 . 1 1 114 114 ILE H H 114 9.098 9.098 9.055 0.043 25502 6500 1 9 . 1 1 115 115 CYS N N 115 125.271 125.271 117.285 7.986 25502 6501 1 9 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.117 0.635 25502 6502 1 9 . 1 1 115 115 CYS CA C 115 60.672 60.672 59.554 1.118 25502 6503 1 9 . 1 1 115 115 CYS CB C 115 58.569 58.569 27.254 31.315 25502 6504 1 9 . 1 1 115 115 CYS H H 115 9.597 9.597 8.503 1.094 25502 6505 1 9 . 1 1 116 116 THR N N 116 115.478 115.478 115.912 -0.434 25502 6506 1 9 . 1 1 116 116 THR HA H 116 4.324 4.324 4.274 0.050 25502 6507 1 9 . 1 1 116 116 THR CA C 116 60.720 60.720 61.995 -1.276 25502 6508 1 9 . 1 1 116 116 THR CB C 116 66.502 66.502 68.859 -2.357 25502 6509 1 9 . 1 1 116 116 THR H H 116 8.947 8.947 8.307 0.640 25502 6510 1 9 . 1 1 117 117 ALA N N 117 121.996 121.996 120.928 1.068 25502 6511 1 9 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.337 0.021 25502 6512 1 9 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.446 -0.935 25502 6513 1 9 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.938 1.670 25502 6514 1 9 . 1 1 117 117 ALA H H 117 7.602 7.602 7.082 0.520 25502 6515 1 9 . 1 1 118 118 LYS N N 118 119.550 119.550 121.878 -2.328 25502 6516 1 9 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.942 -0.163 25502 6517 1 9 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.105 0.559 25502 6518 1 9 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.255 1.244 25502 6519 1 9 . 1 1 118 118 LYS H H 118 8.690 8.690 8.465 0.225 25502 6520 1 9 . 1 1 119 119 THR N N 119 118.759 118.759 116.445 2.314 25502 6521 1 9 . 1 1 119 119 THR HA H 119 3.623 3.623 1.834 1.789 25502 6522 1 9 . 1 1 119 119 THR CA C 119 57.088 57.088 59.000 -1.912 25502 6523 1 9 . 1 1 119 119 THR H H 119 7.328 7.328 7.704 -0.376 25502 6524 1 9 . 1 1 120 120 GLU N N 120 124.407 124.407 122.185 2.222 25502 6525 1 9 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.937 0.183 25502 6526 1 9 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.260 0.812 25502 6527 1 9 . 1 1 120 120 GLU H H 120 9.092 9.092 8.033 1.059 25502 6528 1 9 . 1 1 121 121 TRP N N 121 117.495 117.495 119.226 -1.731 25502 6529 1 9 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.394 0.259 25502 6530 1 9 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.081 1.381 25502 6531 1 9 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.300 -1.550 25502 6532 1 9 . 1 1 121 121 TRP H H 121 7.251 7.251 7.432 -0.181 25502 6533 1 9 . 1 1 122 122 LEU N N 122 119.528 119.528 119.443 0.085 25502 6534 1 9 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.997 0.254 25502 6535 1 9 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.856 -2.356 25502 6536 1 9 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.481 -2.582 25502 6537 1 9 . 1 1 122 122 LEU H H 122 7.019 7.019 6.859 0.160 25502 6538 1 9 . 1 1 123 123 ASP N N 123 121.832 121.832 116.962 4.870 25502 6539 1 9 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.315 0.850 25502 6540 1 9 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.116 0.740 25502 6541 1 9 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.047 -0.675 25502 6542 1 9 . 1 1 123 123 ASP H H 123 7.607 7.607 8.004 -0.397 25502 6543 1 9 . 1 1 124 124 GLY N N 124 110.836 110.836 106.319 4.517 25502 6544 1 9 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.764 -0.741 25502 6545 1 9 . 1 1 124 124 GLY H H 124 9.522 9.522 8.599 0.923 25502 6546 1 9 . 1 1 125 125 LYS N N 125 115.016 115.016 117.966 -2.950 25502 6547 1 9 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.090 0.019 25502 6548 1 9 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.495 -0.247 25502 6549 1 9 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.274 3.115 25502 6550 1 9 . 1 1 125 125 LYS H H 125 7.727 7.727 8.369 -0.642 25502 6551 1 9 . 1 1 126 126 HIS N N 126 119.223 119.223 113.507 5.716 25502 6552 1 9 . 1 1 126 126 HIS HA H 126 4.799 4.799 5.026 -0.227 25502 6553 1 9 . 1 1 126 126 HIS CA C 126 54.559 54.559 55.020 -0.461 25502 6554 1 9 . 1 1 126 126 HIS H H 126 7.571 7.571 7.558 0.013 25502 6555 1 9 . 1 1 127 127 VAL N N 127 124.730 124.730 121.455 3.275 25502 6556 1 9 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.369 -0.111 25502 6557 1 9 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.355 2.292 25502 6558 1 9 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.580 -0.164 25502 6559 1 9 . 1 1 127 127 VAL H H 127 8.474 8.474 8.451 0.023 25502 6560 1 9 . 1 1 128 128 VAL N N 128 132.814 132.814 128.511 4.303 25502 6561 1 9 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.321 -0.171 25502 6562 1 9 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.745 -1.376 25502 6563 1 9 . 1 1 128 128 VAL H H 128 9.470 9.470 8.804 0.666 25502 6564 1 9 . 1 1 129 129 PHE N N 129 117.478 117.478 121.483 -4.005 25502 6565 1 9 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.896 0.357 25502 6566 1 9 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.327 -0.420 25502 6567 1 9 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.997 2.459 25502 6568 1 9 . 1 1 129 129 PHE H H 129 8.086 8.086 7.717 0.369 25502 6569 1 9 . 1 1 130 130 GLY N N 130 110.497 110.497 107.266 3.231 25502 6570 1 9 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.345 1.049 25502 6571 1 9 . 1 1 130 130 GLY H H 130 7.297 7.297 7.448 -0.151 25502 6572 1 9 . 1 1 131 131 LYS N N 131 115.059 115.059 117.218 -2.159 25502 6573 1 9 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.649 0.558 25502 6574 1 9 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.710 -0.915 25502 6575 1 9 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.797 0.056 25502 6576 1 9 . 1 1 131 131 LYS H H 131 8.353 8.353 8.248 0.105 25502 6577 1 9 . 1 1 132 132 VAL N N 132 123.802 123.802 125.409 -1.607 25502 6578 1 9 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.753 0.135 25502 6579 1 9 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.829 -0.882 25502 6580 1 9 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.644 1.903 25502 6581 1 9 . 1 1 132 132 VAL H H 132 9.015 9.015 8.662 0.353 25502 6582 1 9 . 1 1 133 133 LYS N N 133 131.324 131.324 128.462 2.862 25502 6583 1 9 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.158 0.266 25502 6584 1 9 . 1 1 133 133 LYS CA C 133 56.659 56.659 56.917 -0.258 25502 6585 1 9 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.402 0.465 25502 6586 1 9 . 1 1 133 133 LYS H H 133 9.469 9.469 8.792 0.677 25502 6587 1 9 . 1 1 134 134 GLU N N 134 118.178 118.178 116.888 1.290 25502 6588 1 9 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.359 0.200 25502 6589 1 9 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.815 -0.667 25502 6590 1 9 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.257 0.479 25502 6591 1 9 . 1 1 134 134 GLU H H 134 7.543 7.543 7.620 -0.077 25502 6592 1 9 . 1 1 135 135 GLY N N 135 107.767 107.767 110.281 -2.514 25502 6593 1 9 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.088 0.779 25502 6594 1 9 . 1 1 135 135 GLY H H 135 8.693 8.693 8.715 -0.022 25502 6595 1 9 . 1 1 136 136 MET N N 136 122.307 122.307 119.214 3.093 25502 6596 1 9 . 1 1 136 136 MET HA H 136 4.437 4.437 4.054 0.383 25502 6597 1 9 . 1 1 136 136 MET CA C 136 56.659 56.659 56.868 -0.209 25502 6598 1 9 . 1 1 136 136 MET CB C 136 30.025 30.025 31.755 -1.730 25502 6599 1 9 . 1 1 136 136 MET H H 136 8.790 8.790 8.496 0.294 25502 6600 1 9 . 1 1 137 137 ASN N N 137 114.221 114.221 116.962 -2.741 25502 6601 1 9 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.415 0.035 25502 6602 1 9 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.756 0.170 25502 6603 1 9 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.417 -1.600 25502 6604 1 9 . 1 1 137 137 ASN H H 137 8.849 8.849 8.602 0.247 25502 6605 1 9 . 1 1 138 138 ILE N N 138 123.949 123.949 119.514 4.435 25502 6606 1 9 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.887 -0.137 25502 6607 1 9 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.302 -1.971 25502 6608 1 9 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.752 -2.412 25502 6609 1 9 . 1 1 138 138 ILE H H 138 7.642 7.642 8.051 -0.409 25502 6610 1 9 . 1 1 139 139 VAL N N 139 121.654 121.654 119.904 1.750 25502 6611 1 9 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.591 0.253 25502 6612 1 9 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.717 -0.686 25502 6613 1 9 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.270 -0.294 25502 6614 1 9 . 1 1 139 139 VAL H H 139 7.244 7.244 7.748 -0.504 25502 6615 1 9 . 1 1 140 140 GLU N N 140 117.078 117.078 118.381 -1.303 25502 6616 1 9 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.020 0.023 25502 6617 1 9 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.749 0.413 25502 6618 1 9 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.626 -0.207 25502 6619 1 9 . 1 1 140 140 GLU H H 140 8.291 8.291 7.601 0.690 25502 6620 1 9 . 1 1 141 141 ALA N N 141 120.813 120.813 122.458 -1.645 25502 6621 1 9 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.131 -0.070 25502 6622 1 9 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.763 -0.034 25502 6623 1 9 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.473 -0.457 25502 6624 1 9 . 1 1 141 141 ALA H H 141 7.495 7.495 7.242 0.253 25502 6625 1 9 . 1 1 142 142 MET N N 142 117.301 117.301 117.713 -0.412 25502 6626 1 9 . 1 1 142 142 MET HA H 142 3.938 3.938 4.264 -0.326 25502 6627 1 9 . 1 1 142 142 MET CA C 142 59.610 59.610 59.281 0.329 25502 6628 1 9 . 1 1 142 142 MET CB C 142 33.678 33.678 32.314 1.364 25502 6629 1 9 . 1 1 142 142 MET H H 142 8.259 8.259 8.034 0.225 25502 6630 1 9 . 1 1 143 143 GLU N N 143 116.052 116.052 117.118 -1.066 25502 6631 1 9 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.084 -0.368 25502 6632 1 9 . 1 1 143 143 GLU CA C 143 59.182 59.182 58.903 0.279 25502 6633 1 9 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.752 1.519 25502 6634 1 9 . 1 1 143 143 GLU H H 143 7.832 7.832 8.024 -0.192 25502 6635 1 9 . 1 1 144 144 ARG N N 144 114.357 114.357 119.394 -5.037 25502 6636 1 9 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.058 -0.136 25502 6637 1 9 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.908 -0.366 25502 6638 1 9 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.235 0.068 25502 6639 1 9 . 1 1 144 144 ARG H H 144 7.034 7.034 7.285 -0.251 25502 6640 1 9 . 1 1 145 145 PHE N N 145 115.146 115.146 116.257 -1.111 25502 6641 1 9 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.791 0.002 25502 6642 1 9 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.241 0.373 25502 6643 1 9 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.418 -0.505 25502 6644 1 9 . 1 1 145 145 PHE H H 145 7.624 7.624 8.014 -0.390 25502 6645 1 9 . 1 1 146 146 GLY N N 146 104.498 104.498 106.919 -2.421 25502 6646 1 9 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.596 0.553 25502 6647 1 9 . 1 1 146 146 GLY H H 146 7.514 7.514 7.340 0.174 25502 6648 1 9 . 1 1 147 147 SER N N 147 109.815 109.815 115.476 -5.661 25502 6649 1 9 . 1 1 147 147 SER HA H 147 4.755 4.755 4.719 0.036 25502 6650 1 9 . 1 1 147 147 SER CA C 147 58.033 58.033 57.210 0.823 25502 6651 1 9 . 1 1 147 147 SER H H 147 8.190 8.190 8.151 0.039 25502 6652 1 9 . 1 1 148 148 ARG N N 148 119.789 119.789 125.773 -5.984 25502 6653 1 9 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.114 0.053 25502 6654 1 9 . 1 1 148 148 ARG CA C 148 59.491 59.491 57.759 1.732 25502 6655 1 9 . 1 1 148 148 ARG CB C 148 29.662 29.662 28.504 1.158 25502 6656 1 9 . 1 1 148 148 ARG H H 148 8.795 8.795 8.893 -0.098 25502 6657 1 9 . 1 1 149 149 ASN N N 149 111.378 111.378 119.901 -8.523 25502 6658 1 9 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.728 0.106 25502 6659 1 9 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.340 -1.220 25502 6660 1 9 . 1 1 149 149 ASN CB C 149 38.241 38.241 40.123 -1.882 25502 6661 1 9 . 1 1 149 149 ASN H H 149 7.841 7.841 8.746 -0.905 25502 6662 1 9 . 1 1 150 150 GLY N N 150 109.893 109.893 109.853 0.040 25502 6663 1 9 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.532 -0.635 25502 6664 1 9 . 1 1 150 150 GLY H H 150 8.040 8.040 8.112 -0.072 25502 6665 1 9 . 1 1 151 151 LYS N N 151 119.608 119.608 123.257 -3.649 25502 6666 1 9 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.603 -0.198 25502 6667 1 9 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.211 -0.166 25502 6668 1 9 . 1 1 151 151 LYS CB C 151 32.269 32.269 32.803 -0.534 25502 6669 1 9 . 1 1 151 151 LYS H H 151 7.525 7.525 8.295 -0.770 25502 6670 1 9 . 1 1 152 152 THR N N 152 116.317 116.317 110.880 5.437 25502 6671 1 9 . 1 1 152 152 THR HA H 152 5.532 5.532 4.788 0.744 25502 6672 1 9 . 1 1 152 152 THR CA C 152 59.953 59.953 59.395 0.558 25502 6673 1 9 . 1 1 152 152 THR CB C 152 71.108 71.108 71.594 -0.486 25502 6674 1 9 . 1 1 152 152 THR H H 152 8.823 8.823 8.099 0.724 25502 6675 1 9 . 1 1 153 153 SER N N 153 116.804 116.804 117.276 -0.472 25502 6676 1 9 . 1 1 153 153 SER HA H 153 4.456 4.456 4.336 0.120 25502 6677 1 9 . 1 1 153 153 SER CA C 153 58.712 58.712 60.538 -1.826 25502 6678 1 9 . 1 1 153 153 SER CB C 153 63.477 63.477 63.758 -0.281 25502 6679 1 9 . 1 1 153 153 SER H H 153 9.412 9.412 8.976 0.436 25502 6680 1 9 . 1 1 154 154 LYS N N 154 119.068 119.068 121.373 -2.305 25502 6681 1 9 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.481 0.051 25502 6682 1 9 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.326 -0.926 25502 6683 1 9 . 1 1 154 154 LYS CB C 154 38.406 38.406 34.476 3.930 25502 6684 1 9 . 1 1 154 154 LYS H H 154 7.527 7.527 7.622 -0.095 25502 6685 1 9 . 1 1 155 155 LYS N N 155 121.541 121.541 121.544 -0.003 25502 6686 1 9 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.655 -0.342 25502 6687 1 9 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.100 1.047 25502 6688 1 9 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.889 -0.901 25502 6689 1 9 . 1 1 155 155 LYS H H 155 8.791 8.791 8.466 0.325 25502 6690 1 9 . 1 1 156 156 ILE N N 156 133.980 133.980 129.815 4.165 25502 6691 1 9 . 1 1 156 156 ILE HA H 156 5.093 5.093 4.907 0.186 25502 6692 1 9 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.892 -1.628 25502 6693 1 9 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.551 -0.711 25502 6694 1 9 . 1 1 156 156 ILE H H 156 9.606 9.606 9.041 0.565 25502 6695 1 9 . 1 1 157 157 THR N N 157 116.977 116.977 121.729 -4.752 25502 6696 1 9 . 1 1 157 157 THR HA H 157 5.274 5.274 5.066 0.208 25502 6697 1 9 . 1 1 157 157 THR CA C 157 59.475 59.475 60.076 -0.601 25502 6698 1 9 . 1 1 157 157 THR CB C 157 72.475 72.475 71.918 0.557 25502 6699 1 9 . 1 1 157 157 THR H H 157 9.233 9.233 9.199 0.034 25502 6700 1 9 . 1 1 158 158 ILE N N 158 121.529 121.529 121.359 0.170 25502 6701 1 9 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.039 -0.797 25502 6702 1 9 . 1 1 158 158 ILE CA C 158 60.868 60.868 58.466 2.402 25502 6703 1 9 . 1 1 158 158 ILE CB C 158 36.790 36.790 36.519 0.271 25502 6704 1 9 . 1 1 158 158 ILE H H 158 8.580 8.580 8.978 -0.398 25502 6705 1 9 . 1 1 159 159 ALA N N 159 132.313 132.313 132.011 0.302 25502 6706 1 9 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.276 -0.152 25502 6707 1 9 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.861 0.212 25502 6708 1 9 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.572 -0.559 25502 6709 1 9 . 1 1 159 159 ALA H H 159 8.873 8.873 8.872 0.001 25502 6710 1 9 . 1 1 160 160 ASP N N 160 111.257 111.257 116.970 -5.713 25502 6711 1 9 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.855 0.035 25502 6712 1 9 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.423 -0.784 25502 6713 1 9 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.889 -0.302 25502 6714 1 9 . 1 1 160 160 ASP H H 160 8.066 8.066 8.040 0.026 25502 6715 1 9 . 1 1 161 161 CYS N N 161 115.837 115.837 117.843 -2.006 25502 6716 1 9 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.444 1.100 25502 6717 1 9 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.065 0.083 25502 6718 1 9 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.807 0.330 25502 6719 1 9 . 1 1 161 161 CYS H H 161 8.591 8.591 8.237 0.354 25502 6720 1 9 . 1 1 162 162 GLY N N 162 103.888 103.888 108.217 -4.329 25502 6721 1 9 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.136 0.213 25502 6722 1 9 . 1 1 162 162 GLY H H 162 6.844 6.844 6.856 -0.012 25502 6723 1 9 . 1 1 163 163 GLN N N 163 120.718 120.718 121.104 -0.386 25502 6724 1 9 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.569 0.500 25502 6725 1 9 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.780 -1.971 25502 6726 1 9 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.222 1.368 25502 6727 1 9 . 1 1 163 163 GLN H H 163 9.066 9.066 8.516 0.550 25502 6728 1 9 . 1 1 164 164 LEU N N 164 125.816 125.816 127.299 -1.483 25502 6729 1 9 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.360 0.247 25502 6730 1 9 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.301 -1.562 25502 6731 1 9 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.888 1.474 25502 6732 1 9 . 1 1 164 164 LEU H H 164 8.593 8.593 9.112 -0.519 25502 6733 1 10 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.314 -0.138 25502 6734 1 10 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.761 -1.269 25502 6735 1 10 . 1 1 2 2 VAL CB C 2 33.126 33.126 34.295 -1.169 25502 6736 1 10 . 1 1 3 3 ASN N N 3 126.515 126.515 124.427 2.088 25502 6737 1 10 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.172 -0.035 25502 6738 1 10 . 1 1 3 3 ASN CA C 3 51.008 51.008 50.458 0.550 25502 6739 1 10 . 1 1 3 3 ASN CB C 3 37.799 37.799 40.568 -2.769 25502 6740 1 10 . 1 1 3 3 ASN H H 3 8.600 8.600 8.581 0.019 25502 6741 1 10 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.515 0.238 25502 6742 1 10 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.780 -0.111 25502 6743 1 10 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.607 0.531 25502 6744 1 10 . 1 1 5 5 THR N N 5 114.826 114.826 117.118 -2.292 25502 6745 1 10 . 1 1 5 5 THR HA H 5 5.716 5.716 4.973 0.743 25502 6746 1 10 . 1 1 5 5 THR CA C 5 60.698 60.698 61.305 -0.607 25502 6747 1 10 . 1 1 5 5 THR CB C 5 41.142 41.142 71.619 -30.477 25502 6748 1 10 . 1 1 5 5 THR H H 5 8.771 8.771 8.171 0.600 25502 6749 1 10 . 1 1 6 6 VAL N N 6 120.113 120.113 122.437 -2.324 25502 6750 1 10 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.189 0.150 25502 6751 1 10 . 1 1 6 6 VAL CA C 6 58.797 58.797 58.874 -0.077 25502 6752 1 10 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.692 0.443 25502 6753 1 10 . 1 1 6 6 VAL H H 6 8.741 8.741 8.340 0.401 25502 6754 1 10 . 1 1 7 7 PHE N N 7 118.968 118.968 118.506 0.462 25502 6755 1 10 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.506 0.389 25502 6756 1 10 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.265 0.423 25502 6757 1 10 . 1 1 7 7 PHE CB C 7 43.043 43.043 42.495 0.548 25502 6758 1 10 . 1 1 7 7 PHE H H 7 8.954 8.954 7.695 1.259 25502 6759 1 10 . 1 1 8 8 PHE N N 8 116.774 116.774 117.285 -0.511 25502 6760 1 10 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.272 1.045 25502 6761 1 10 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.492 -4.069 25502 6762 1 10 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.525 1.345 25502 6763 1 10 . 1 1 8 8 PHE H H 8 9.540 9.540 8.313 1.227 25502 6764 1 10 . 1 1 9 9 ASP N N 9 123.959 123.959 124.967 -1.008 25502 6765 1 10 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.660 0.873 25502 6766 1 10 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.250 -0.485 25502 6767 1 10 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.381 -0.068 25502 6768 1 10 . 1 1 9 9 ASP H H 9 9.266 9.266 8.380 0.885 25502 6769 1 10 . 1 1 10 10 ILE N N 10 124.122 124.122 125.558 -1.436 25502 6770 1 10 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.507 0.665 25502 6771 1 10 . 1 1 10 10 ILE CA C 10 58.159 58.159 61.101 -2.942 25502 6772 1 10 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.323 0.380 25502 6773 1 10 . 1 1 10 10 ILE H H 10 9.030 9.030 8.262 0.768 25502 6774 1 10 . 1 1 11 11 ALA N N 11 132.244 132.244 130.303 1.941 25502 6775 1 10 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.928 0.237 25502 6776 1 10 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.363 0.301 25502 6777 1 10 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.288 29.273 25502 6778 1 10 . 1 1 11 11 ALA H H 11 9.603 9.603 9.084 0.519 25502 6779 1 10 . 1 1 12 12 VAL N N 12 118.199 118.199 120.783 -2.584 25502 6780 1 10 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.711 -0.200 25502 6781 1 10 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.486 -0.060 25502 6782 1 10 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.351 0.830 25502 6783 1 10 . 1 1 12 12 VAL H H 12 8.943 8.943 8.812 0.131 25502 6784 1 10 . 1 1 13 13 ASP N N 13 130.748 130.748 128.437 2.311 25502 6785 1 10 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.279 0.041 25502 6786 1 10 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.624 0.202 25502 6787 1 10 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.170 -0.335 25502 6788 1 10 . 1 1 13 13 ASP H H 13 9.846 9.846 8.773 1.073 25502 6789 1 10 . 1 1 14 14 GLY N N 14 101.493 101.493 103.965 -2.472 25502 6790 1 10 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.950 0.132 25502 6791 1 10 . 1 1 14 14 GLY H H 14 8.558 8.558 8.595 -0.037 25502 6792 1 10 . 1 1 15 15 GLU N N 15 123.014 123.014 123.917 -0.903 25502 6793 1 10 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.684 0.151 25502 6794 1 10 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.908 -0.155 25502 6795 1 10 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.164 0.072 25502 6796 1 10 . 1 1 15 15 GLU H H 15 8.046 8.046 7.658 0.388 25502 6797 1 10 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.606 -0.430 25502 6798 1 10 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.988 1.558 25502 6799 1 10 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.387 29.724 25502 6800 1 10 . 1 1 17 17 LEU N N 17 125.784 125.784 123.817 1.967 25502 6801 1 10 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.077 0.610 25502 6802 1 10 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.684 -1.336 25502 6803 1 10 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.513 1.644 25502 6804 1 10 . 1 1 17 17 LEU H H 17 9.189 9.189 8.775 0.414 25502 6805 1 10 . 1 1 18 18 GLY N N 18 102.200 102.200 104.590 -2.390 25502 6806 1 10 . 1 1 18 18 GLY CA C 18 44.969 44.969 45.065 -0.096 25502 6807 1 10 . 1 1 18 18 GLY H H 18 7.256 7.256 7.410 -0.154 25502 6808 1 10 . 1 1 19 19 ARG N N 19 120.995 120.995 121.818 -0.823 25502 6809 1 10 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.876 0.746 25502 6810 1 10 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.329 -0.314 25502 6811 1 10 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.219 0.121 25502 6812 1 10 . 1 1 19 19 ARG H H 19 8.320 8.320 8.316 0.004 25502 6813 1 10 . 1 1 20 20 VAL N N 20 126.616 126.616 124.435 2.181 25502 6814 1 10 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.825 -0.222 25502 6815 1 10 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.079 -1.138 25502 6816 1 10 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.413 1.470 25502 6817 1 10 . 1 1 20 20 VAL H H 20 9.364 9.364 8.815 0.549 25502 6818 1 10 . 1 1 21 21 SER N N 21 120.061 120.061 120.718 -0.657 25502 6819 1 10 . 1 1 21 21 SER HA H 21 5.515 5.515 5.436 0.079 25502 6820 1 10 . 1 1 21 21 SER CA C 21 55.317 55.317 55.481 -0.164 25502 6821 1 10 . 1 1 21 21 SER CB C 21 36.773 36.773 65.832 -29.059 25502 6822 1 10 . 1 1 21 21 SER H H 21 8.768 8.768 7.881 0.887 25502 6823 1 10 . 1 1 22 22 PHE N N 22 118.878 118.878 117.962 0.916 25502 6824 1 10 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.181 0.056 25502 6825 1 10 . 1 1 22 22 PHE CA C 22 55.688 55.688 57.183 -1.495 25502 6826 1 10 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.421 -0.847 25502 6827 1 10 . 1 1 22 22 PHE H H 22 9.508 9.508 9.397 0.111 25502 6828 1 10 . 1 1 23 23 GLU N N 23 122.926 122.926 123.978 -1.052 25502 6829 1 10 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.505 0.244 25502 6830 1 10 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.197 -0.247 25502 6831 1 10 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.219 1.410 25502 6832 1 10 . 1 1 23 23 GLU H H 23 8.740 8.740 8.995 -0.255 25502 6833 1 10 . 1 1 24 24 LEU N N 24 122.262 122.262 127.778 -5.516 25502 6834 1 10 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.529 0.168 25502 6835 1 10 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.437 -2.885 25502 6836 1 10 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.968 0.152 25502 6837 1 10 . 1 1 24 24 LEU H H 24 8.185 8.185 7.842 0.343 25502 6838 1 10 . 1 1 25 25 PHE N N 25 124.423 124.423 122.387 2.036 25502 6839 1 10 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.875 0.233 25502 6840 1 10 . 1 1 25 25 PHE CA C 25 54.290 54.290 56.727 -2.437 25502 6841 1 10 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.890 -0.929 25502 6842 1 10 . 1 1 25 25 PHE H H 25 8.815 8.815 8.512 0.303 25502 6843 1 10 . 1 1 26 26 ALA N N 26 128.683 128.683 125.450 3.233 25502 6844 1 10 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.347 -0.576 25502 6845 1 10 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.488 -0.202 25502 6846 1 10 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.490 0.135 25502 6847 1 10 . 1 1 26 26 ALA H H 26 8.433 8.433 7.933 0.500 25502 6848 1 10 . 1 1 27 27 ASP N N 27 114.069 114.069 117.472 -3.403 25502 6849 1 10 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.567 -0.324 25502 6850 1 10 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.289 -0.962 25502 6851 1 10 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.909 -2.054 25502 6852 1 10 . 1 1 27 27 ASP H H 27 9.052 9.052 8.309 0.743 25502 6853 1 10 . 1 1 28 28 LYS N N 28 117.763 117.763 117.878 -0.115 25502 6854 1 10 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.492 0.079 25502 6855 1 10 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.779 -0.547 25502 6856 1 10 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.848 1.074 25502 6857 1 10 . 1 1 28 28 LYS H H 28 7.545 7.545 8.073 -0.528 25502 6858 1 10 . 1 1 29 29 VAL N N 29 114.212 114.212 116.056 -1.844 25502 6859 1 10 . 1 1 29 29 VAL HA H 29 4.451 4.451 5.060 -0.609 25502 6860 1 10 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.321 -0.232 25502 6861 1 10 . 1 1 29 29 VAL CB C 29 31.745 31.745 30.685 1.060 25502 6862 1 10 . 1 1 29 29 VAL H H 29 8.368 8.368 8.240 0.128 25502 6863 1 10 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.351 0.044 25502 6864 1 10 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.877 0.206 25502 6865 1 10 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.170 -0.866 25502 6866 1 10 . 1 1 31 31 LYS N N 31 123.500 123.500 117.587 5.913 25502 6867 1 10 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.083 -0.076 25502 6868 1 10 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.913 1.443 25502 6869 1 10 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.604 0.675 25502 6870 1 10 . 1 1 31 31 LYS H H 31 10.663 10.663 8.543 2.120 25502 6871 1 10 . 1 1 32 32 THR N N 32 123.707 123.707 114.220 9.487 25502 6872 1 10 . 1 1 32 32 THR HA H 32 3.988 3.988 4.148 -0.160 25502 6873 1 10 . 1 1 32 32 THR CA C 32 37.678 37.678 65.592 -27.914 25502 6874 1 10 . 1 1 32 32 THR CB C 32 38.883 38.883 68.921 -30.038 25502 6875 1 10 . 1 1 32 32 THR H H 32 10.283 10.283 7.509 2.774 25502 6876 1 10 . 1 1 33 33 ALA N N 33 125.366 125.366 125.162 0.204 25502 6877 1 10 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.135 -0.098 25502 6878 1 10 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.511 0.356 25502 6879 1 10 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.090 0.145 25502 6880 1 10 . 1 1 33 33 ALA H H 33 9.281 9.281 8.452 0.829 25502 6881 1 10 . 1 1 34 34 GLU N N 34 117.040 117.040 118.435 -1.395 25502 6882 1 10 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.865 0.644 25502 6883 1 10 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.789 -1.903 25502 6884 1 10 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.469 28.434 25502 6885 1 10 . 1 1 34 34 GLU H H 34 8.027 8.027 8.511 -0.484 25502 6886 1 10 . 1 1 35 35 ASN N N 35 115.398 115.398 118.024 -2.626 25502 6887 1 10 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.408 -0.354 25502 6888 1 10 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.478 0.153 25502 6889 1 10 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.509 0.956 25502 6890 1 10 . 1 1 35 35 ASN H H 35 7.139 7.139 8.019 -0.880 25502 6891 1 10 . 1 1 36 36 PHE N N 36 117.607 117.607 120.469 -2.862 25502 6892 1 10 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.317 -0.208 25502 6893 1 10 . 1 1 36 36 PHE CA C 36 61.391 61.391 61.319 0.072 25502 6894 1 10 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.144 0.869 25502 6895 1 10 . 1 1 36 36 PHE H H 36 7.012 7.012 7.792 -0.780 25502 6896 1 10 . 1 1 37 37 ARG N N 37 120.804 120.804 119.980 0.824 25502 6897 1 10 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.006 -0.374 25502 6898 1 10 . 1 1 37 37 ARG CA C 37 60.381 60.381 58.941 1.440 25502 6899 1 10 . 1 1 37 37 ARG CB C 37 29.860 29.860 29.745 0.115 25502 6900 1 10 . 1 1 37 37 ARG H H 37 8.935 8.935 8.969 -0.034 25502 6901 1 10 . 1 1 38 38 ALA N N 38 118.869 118.869 121.729 -2.860 25502 6902 1 10 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.197 -0.128 25502 6903 1 10 . 1 1 38 38 ALA CA C 38 54.340 54.340 54.874 -0.534 25502 6904 1 10 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.250 -0.015 25502 6905 1 10 . 1 1 38 38 ALA H H 38 8.687 8.687 7.989 0.698 25502 6906 1 10 . 1 1 39 39 LEU N N 39 120.488 120.488 119.093 1.395 25502 6907 1 10 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.729 0.015 25502 6908 1 10 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.446 -0.331 25502 6909 1 10 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.735 -0.709 25502 6910 1 10 . 1 1 39 39 LEU H H 39 8.173 8.173 7.945 0.228 25502 6911 1 10 . 1 1 40 40 SER N N 40 118.952 118.952 114.933 4.019 25502 6912 1 10 . 1 1 40 40 SER HA H 40 4.444 4.444 3.803 0.641 25502 6913 1 10 . 1 1 40 40 SER CA C 40 62.334 62.334 61.997 0.337 25502 6914 1 10 . 1 1 40 40 SER CB C 40 62.884 62.884 62.969 -0.085 25502 6915 1 10 . 1 1 40 40 SER H H 40 7.900 7.900 8.318 -0.418 25502 6916 1 10 . 1 1 41 41 THR N N 41 108.208 108.208 110.526 -2.318 25502 6917 1 10 . 1 1 41 41 THR HA H 41 4.288 4.288 4.095 0.193 25502 6918 1 10 . 1 1 41 41 THR CA C 41 62.810 62.810 64.097 -1.287 25502 6919 1 10 . 1 1 41 41 THR CB C 41 69.221 69.221 69.080 0.141 25502 6920 1 10 . 1 1 41 41 THR H H 41 7.974 7.974 7.956 0.018 25502 6921 1 10 . 1 1 42 42 GLY N N 42 108.122 108.122 108.325 -0.203 25502 6922 1 10 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.666 0.091 25502 6923 1 10 . 1 1 42 42 GLY H H 42 7.582 7.582 7.397 0.185 25502 6924 1 10 . 1 1 43 43 GLU N N 43 118.454 118.454 121.998 -3.544 25502 6925 1 10 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.902 0.218 25502 6926 1 10 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.438 -0.081 25502 6927 1 10 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.035 0.907 25502 6928 1 10 . 1 1 43 43 GLU H H 43 8.009 8.009 7.922 0.087 25502 6929 1 10 . 1 1 44 44 LYS N N 44 118.055 118.055 119.007 -0.952 25502 6930 1 10 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.870 0.411 25502 6931 1 10 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.596 -3.476 25502 6932 1 10 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.351 -2.055 25502 6933 1 10 . 1 1 44 44 LYS H H 44 9.102 9.102 7.823 1.279 25502 6934 1 10 . 1 1 45 45 GLY N N 45 105.305 105.305 105.587 -0.282 25502 6935 1 10 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.212 -0.681 25502 6936 1 10 . 1 1 45 45 GLY H H 45 7.939 7.939 8.265 -0.326 25502 6937 1 10 . 1 1 46 46 PHE N N 46 113.461 113.461 116.890 -3.429 25502 6938 1 10 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.674 -0.050 25502 6939 1 10 . 1 1 46 46 PHE CA C 46 53.881 53.881 57.015 -3.134 25502 6940 1 10 . 1 1 46 46 PHE CB C 46 39.468 39.468 38.955 0.513 25502 6941 1 10 . 1 1 46 46 PHE H H 46 6.413 6.413 7.445 -1.032 25502 6942 1 10 . 1 1 47 47 GLY N N 47 104.416 104.416 109.560 -5.144 25502 6943 1 10 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.760 0.698 25502 6944 1 10 . 1 1 47 47 GLY H H 47 7.686 7.686 6.975 0.711 25502 6945 1 10 . 1 1 48 48 TYR N N 48 113.530 113.530 114.581 -1.051 25502 6946 1 10 . 1 1 48 48 TYR HA H 48 4.208 4.208 3.790 0.418 25502 6947 1 10 . 1 1 48 48 TYR CA C 48 57.039 57.039 55.306 1.733 25502 6948 1 10 . 1 1 48 48 TYR CB C 48 38.419 38.419 36.738 1.681 25502 6949 1 10 . 1 1 48 48 TYR H H 48 6.887 6.887 7.950 -1.063 25502 6950 1 10 . 1 1 49 49 LYS N N 49 124.631 124.631 122.842 1.789 25502 6951 1 10 . 1 1 49 49 LYS HA H 49 3.595 3.595 3.715 -0.120 25502 6952 1 10 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.518 3.364 25502 6953 1 10 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.122 -0.954 25502 6954 1 10 . 1 1 49 49 LYS H H 49 8.474 8.474 7.108 1.366 25502 6955 1 10 . 1 1 50 50 GLY N N 50 117.591 117.591 114.900 2.691 25502 6956 1 10 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.466 -0.425 25502 6957 1 10 . 1 1 50 50 GLY H H 50 9.482 9.482 8.769 0.713 25502 6958 1 10 . 1 1 51 51 SER N N 51 116.156 116.156 114.608 1.548 25502 6959 1 10 . 1 1 51 51 SER HA H 51 4.658 4.658 4.548 0.110 25502 6960 1 10 . 1 1 51 51 SER CA C 51 58.682 58.682 57.611 1.071 25502 6961 1 10 . 1 1 51 51 SER CB C 51 64.607 64.607 65.364 -0.757 25502 6962 1 10 . 1 1 51 51 SER H H 51 8.397 8.397 7.730 0.667 25502 6963 1 10 . 1 1 52 52 CYS N N 52 114.800 114.800 117.258 -2.458 25502 6964 1 10 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.084 0.811 25502 6965 1 10 . 1 1 52 52 CYS CA C 52 55.965 55.965 57.955 -1.990 25502 6966 1 10 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.924 0.794 25502 6967 1 10 . 1 1 52 52 CYS H H 52 9.858 9.858 8.187 1.671 25502 6968 1 10 . 1 1 53 53 PHE N N 53 122.839 122.839 120.347 2.492 25502 6969 1 10 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.780 0.073 25502 6970 1 10 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.757 0.326 25502 6971 1 10 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.885 -2.157 25502 6972 1 10 . 1 1 53 53 PHE H H 53 8.702 8.702 8.471 0.231 25502 6973 1 10 . 1 1 54 54 HIS N N 54 119.944 119.944 121.986 -2.042 25502 6974 1 10 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.906 -0.200 25502 6975 1 10 . 1 1 54 54 HIS CA C 54 56.985 56.985 56.066 0.919 25502 6976 1 10 . 1 1 54 54 HIS CB C 54 31.344 31.344 31.052 0.291 25502 6977 1 10 . 1 1 54 54 HIS H H 54 7.623 7.623 8.859 -1.236 25502 6978 1 10 . 1 1 55 55 ARG N N 55 122.758 122.758 120.318 2.440 25502 6979 1 10 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.499 0.600 25502 6980 1 10 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.074 -1.371 25502 6981 1 10 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.520 3.252 25502 6982 1 10 . 1 1 55 55 ARG H H 55 7.031 7.031 8.161 -1.130 25502 6983 1 10 . 1 1 56 56 ILE N N 56 126.170 126.170 122.712 3.458 25502 6984 1 10 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.427 0.162 25502 6985 1 10 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.580 0.871 25502 6986 1 10 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.076 0.556 25502 6987 1 10 . 1 1 56 56 ILE H H 56 9.166 9.166 8.267 0.899 25502 6988 1 10 . 1 1 57 57 ILE N N 57 127.731 127.731 126.940 0.791 25502 6989 1 10 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.888 0.309 25502 6990 1 10 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.626 -0.012 25502 6991 1 10 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.657 0.358 25502 6992 1 10 . 1 1 57 57 ILE H H 57 8.718 8.718 8.152 0.566 25502 6993 1 10 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.568 -0.244 25502 6994 1 10 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.196 -0.247 25502 6995 1 10 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.008 1.903 25502 6996 1 10 . 1 1 59 59 GLY N N 59 113.877 113.877 110.540 3.337 25502 6997 1 10 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.825 -0.647 25502 6998 1 10 . 1 1 59 59 GLY H H 59 9.679 9.679 8.492 1.187 25502 6999 1 10 . 1 1 60 60 PHE N N 60 118.955 118.955 122.324 -3.369 25502 7000 1 10 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.894 0.199 25502 7001 1 10 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.283 -1.538 25502 7002 1 10 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.070 -3.377 25502 7003 1 10 . 1 1 60 60 PHE H H 60 8.095 8.095 7.914 0.181 25502 7004 1 10 . 1 1 61 61 MET N N 61 110.963 110.963 111.309 -0.346 25502 7005 1 10 . 1 1 61 61 MET HA H 61 5.311 5.311 4.966 0.345 25502 7006 1 10 . 1 1 61 61 MET CA C 61 54.802 54.802 55.398 -0.596 25502 7007 1 10 . 1 1 61 61 MET CB C 61 34.892 34.892 34.215 0.677 25502 7008 1 10 . 1 1 61 61 MET H H 61 8.088 8.088 7.754 0.334 25502 7009 1 10 . 1 1 62 62 CYS N N 62 114.627 114.627 119.071 -4.444 25502 7010 1 10 . 1 1 62 62 CYS HA H 62 4.873 4.873 5.138 -0.265 25502 7011 1 10 . 1 1 62 62 CYS CA C 62 57.335 57.335 56.350 0.985 25502 7012 1 10 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.470 29.590 25502 7013 1 10 . 1 1 62 62 CYS H H 62 8.474 8.474 8.573 -0.099 25502 7014 1 10 . 1 1 63 63 GLN N N 63 126.463 126.463 118.237 8.226 25502 7015 1 10 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.854 0.522 25502 7016 1 10 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.646 -1.122 25502 7017 1 10 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.421 -2.021 25502 7018 1 10 . 1 1 63 63 GLN H H 63 9.651 9.651 8.186 1.465 25502 7019 1 10 . 1 1 64 64 GLY N N 64 110.531 110.531 108.968 1.563 25502 7020 1 10 . 1 1 64 64 GLY CA C 64 44.400 44.400 43.639 0.761 25502 7021 1 10 . 1 1 64 64 GLY H H 64 7.352 7.352 8.183 -0.831 25502 7022 1 10 . 1 1 65 65 GLY N N 65 105.572 105.572 107.195 -1.623 25502 7023 1 10 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.663 1.762 25502 7024 1 10 . 1 1 65 65 GLY H H 65 9.292 9.292 7.454 1.838 25502 7025 1 10 . 1 1 66 66 ASP N N 66 123.656 123.656 120.328 3.328 25502 7026 1 10 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.702 -0.412 25502 7027 1 10 . 1 1 66 66 ASP CA C 66 51.505 51.505 54.714 -3.209 25502 7028 1 10 . 1 1 66 66 ASP CB C 66 38.702 38.702 41.345 -2.643 25502 7029 1 10 . 1 1 66 66 ASP H H 66 9.910 9.910 8.684 1.226 25502 7030 1 10 . 1 1 67 67 PHE N N 67 115.914 115.914 116.425 -0.511 25502 7031 1 10 . 1 1 67 67 PHE HA H 67 4.597 4.597 5.068 -0.471 25502 7032 1 10 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.444 -0.660 25502 7033 1 10 . 1 1 67 67 PHE CB C 67 39.357 39.357 38.683 0.674 25502 7034 1 10 . 1 1 67 67 PHE H H 67 6.624 6.624 7.889 -1.265 25502 7035 1 10 . 1 1 68 68 THR N N 68 108.853 108.853 116.054 -7.201 25502 7036 1 10 . 1 1 68 68 THR HA H 68 4.638 4.638 3.906 0.732 25502 7037 1 10 . 1 1 68 68 THR CA C 68 61.621 61.621 64.990 -3.369 25502 7038 1 10 . 1 1 68 68 THR CB C 68 68.789 68.789 68.352 0.437 25502 7039 1 10 . 1 1 68 68 THR H H 68 7.320 7.320 7.989 -0.669 25502 7040 1 10 . 1 1 69 69 ARG N N 69 121.780 121.780 116.959 4.821 25502 7041 1 10 . 1 1 69 69 ARG HA H 69 4.362 4.362 3.896 0.466 25502 7042 1 10 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.586 -1.558 25502 7043 1 10 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.230 31.303 25502 7044 1 10 . 1 1 69 69 ARG H H 69 8.655 8.655 7.960 0.695 25502 7045 1 10 . 1 1 70 70 HIS N N 70 112.009 112.009 120.680 -8.671 25502 7046 1 10 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.166 0.232 25502 7047 1 10 . 1 1 70 70 HIS CA C 70 57.135 57.135 58.259 -1.124 25502 7048 1 10 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.589 28.845 25502 7049 1 10 . 1 1 70 70 HIS H H 70 6.838 6.838 8.454 -1.616 25502 7050 1 10 . 1 1 71 71 ASN N N 71 112.340 112.340 116.716 -4.376 25502 7051 1 10 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.488 0.107 25502 7052 1 10 . 1 1 71 71 ASN CA C 71 52.160 52.160 54.205 -2.045 25502 7053 1 10 . 1 1 71 71 ASN CB C 71 38.707 38.707 38.786 -0.079 25502 7054 1 10 . 1 1 71 71 ASN H H 71 7.519 7.519 8.238 -0.719 25502 7055 1 10 . 1 1 72 72 GLY N N 72 110.239 110.239 106.268 3.971 25502 7056 1 10 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.115 -0.542 25502 7057 1 10 . 1 1 72 72 GLY H H 72 9.619 9.619 7.893 1.726 25502 7058 1 10 . 1 1 73 73 THR N N 73 111.802 111.802 112.531 -0.729 25502 7059 1 10 . 1 1 73 73 THR HA H 73 4.487 4.487 4.596 -0.109 25502 7060 1 10 . 1 1 73 73 THR CA C 73 62.070 62.070 60.848 1.222 25502 7061 1 10 . 1 1 73 73 THR CB C 73 40.762 40.762 69.070 -28.308 25502 7062 1 10 . 1 1 73 73 THR H H 73 7.930 7.930 7.839 0.091 25502 7063 1 10 . 1 1 74 74 GLY N N 74 113.668 113.668 109.264 4.404 25502 7064 1 10 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.279 0.629 25502 7065 1 10 . 1 1 74 74 GLY H H 74 8.669 8.669 7.846 0.823 25502 7066 1 10 . 1 1 75 75 GLY N N 75 108.813 108.813 110.051 -1.238 25502 7067 1 10 . 1 1 75 75 GLY CA C 75 43.037 43.037 45.421 -2.384 25502 7068 1 10 . 1 1 75 75 GLY H H 75 8.066 8.066 7.712 0.354 25502 7069 1 10 . 1 1 76 76 LYS N N 76 115.526 115.526 122.412 -6.886 25502 7070 1 10 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.579 0.006 25502 7071 1 10 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.062 0.645 25502 7072 1 10 . 1 1 76 76 LYS CB C 76 34.515 34.515 34.565 -0.050 25502 7073 1 10 . 1 1 76 76 LYS H H 76 6.981 6.981 7.684 -0.703 25502 7074 1 10 . 1 1 77 77 SER N N 77 114.105 114.105 114.644 -0.539 25502 7075 1 10 . 1 1 77 77 SER HA H 77 5.185 5.185 4.478 0.707 25502 7076 1 10 . 1 1 77 77 SER CA C 77 56.816 56.816 59.119 -2.303 25502 7077 1 10 . 1 1 77 77 SER CB C 77 38.963 38.963 63.847 -24.884 25502 7078 1 10 . 1 1 78 78 ILE N N 78 110.963 110.963 116.293 -5.330 25502 7079 1 10 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.175 -0.005 25502 7080 1 10 . 1 1 78 78 ILE CA C 78 63.517 63.517 61.382 2.135 25502 7081 1 10 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.134 0.174 25502 7082 1 10 . 1 1 78 78 ILE H H 78 8.557 8.557 7.836 0.721 25502 7083 1 10 . 1 1 79 79 TYR N N 79 120.472 120.472 119.009 1.463 25502 7084 1 10 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.596 0.071 25502 7085 1 10 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.598 -2.451 25502 7086 1 10 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.742 -1.017 25502 7087 1 10 . 1 1 79 79 TYR H H 79 8.007 8.007 7.791 0.216 25502 7088 1 10 . 1 1 80 80 GLY N N 80 106.402 106.402 106.583 -0.181 25502 7089 1 10 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.441 -1.693 25502 7090 1 10 . 1 1 80 80 GLY H H 80 7.115 7.115 7.550 -0.435 25502 7091 1 10 . 1 1 81 81 GLU N N 81 122.838 122.838 119.171 3.667 25502 7092 1 10 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.093 -0.147 25502 7093 1 10 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.873 1.265 25502 7094 1 10 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.959 0.149 25502 7095 1 10 . 1 1 81 81 GLU H H 81 8.878 8.878 8.572 0.306 25502 7096 1 10 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.744 0.781 25502 7097 1 10 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.775 -2.000 25502 7098 1 10 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.801 2.510 25502 7099 1 10 . 1 1 82 82 LYS H H 82 7.799 7.799 7.823 -0.024 25502 7100 1 10 . 1 1 83 83 PHE N N 83 116.432 116.432 114.756 1.676 25502 7101 1 10 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.841 0.104 25502 7102 1 10 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.190 0.547 25502 7103 1 10 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.550 -0.256 25502 7104 1 10 . 1 1 83 83 PHE H H 83 9.147 9.147 8.156 0.991 25502 7105 1 10 . 1 1 84 84 GLU N N 84 119.352 119.352 119.038 0.314 25502 7106 1 10 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.037 -0.235 25502 7107 1 10 . 1 1 84 84 GLU CA C 84 56.197 56.197 56.463 -0.266 25502 7108 1 10 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.074 -0.969 25502 7109 1 10 . 1 1 84 84 GLU H H 84 9.252 9.252 8.435 0.817 25502 7110 1 10 . 1 1 85 85 ASP N N 85 118.583 118.583 121.176 -2.593 25502 7111 1 10 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.553 -0.327 25502 7112 1 10 . 1 1 85 85 ASP CA C 85 53.974 53.974 53.916 0.058 25502 7113 1 10 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.954 -1.169 25502 7114 1 10 . 1 1 85 85 ASP H H 85 8.593 8.593 8.406 0.187 25502 7115 1 10 . 1 1 86 86 GLU N N 86 131.488 131.488 119.749 11.739 25502 7116 1 10 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.213 -0.418 25502 7117 1 10 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.066 3.207 25502 7118 1 10 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.955 0.684 25502 7119 1 10 . 1 1 86 86 GLU H H 86 9.461 9.461 8.691 0.770 25502 7120 1 10 . 1 1 87 87 ASN N N 87 106.549 106.549 114.343 -7.794 25502 7121 1 10 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.004 0.126 25502 7122 1 10 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.834 0.755 25502 7123 1 10 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.307 0.042 25502 7124 1 10 . 1 1 87 87 ASN H H 87 7.044 7.044 7.694 -0.650 25502 7125 1 10 . 1 1 88 88 PHE N N 88 112.731 112.731 114.511 -1.780 25502 7126 1 10 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.936 0.991 25502 7127 1 10 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.298 -0.610 25502 7128 1 10 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.847 -0.027 25502 7129 1 10 . 1 1 88 88 PHE H H 88 8.319 8.319 8.024 0.295 25502 7130 1 10 . 1 1 89 89 ILE N N 89 119.556 119.556 120.474 -0.918 25502 7131 1 10 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.861 -0.209 25502 7132 1 10 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.605 1.282 25502 7133 1 10 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.697 1.242 25502 7134 1 10 . 1 1 89 89 ILE H H 89 8.302 8.302 7.825 0.477 25502 7135 1 10 . 1 1 90 90 LEU N N 90 116.951 116.951 120.538 -3.587 25502 7136 1 10 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.387 0.069 25502 7137 1 10 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.236 0.949 25502 7138 1 10 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.844 1.066 25502 7139 1 10 . 1 1 90 90 LEU H H 90 7.746 7.746 7.826 -0.080 25502 7140 1 10 . 1 1 91 91 LYS N N 91 118.722 118.722 121.687 -2.965 25502 7141 1 10 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.165 0.463 25502 7142 1 10 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.653 -1.338 25502 7143 1 10 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.803 0.747 25502 7144 1 10 . 1 1 91 91 LYS H H 91 8.057 8.057 8.019 0.038 25502 7145 1 10 . 1 1 92 92 HIS N N 92 122.221 122.221 120.390 1.831 25502 7146 1 10 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.324 0.018 25502 7147 1 10 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.955 -0.199 25502 7148 1 10 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.941 -2.046 25502 7149 1 10 . 1 1 92 92 HIS H H 92 10.706 10.706 8.354 2.352 25502 7150 1 10 . 1 1 93 93 THR N N 93 110.178 110.178 114.121 -3.943 25502 7151 1 10 . 1 1 93 93 THR HA H 93 4.004 4.004 4.439 -0.435 25502 7152 1 10 . 1 1 93 93 THR CA C 93 63.018 63.018 60.719 2.299 25502 7153 1 10 . 1 1 93 93 THR CB C 93 69.341 69.341 69.368 -0.027 25502 7154 1 10 . 1 1 93 93 THR H H 93 7.261 7.261 7.755 -0.494 25502 7155 1 10 . 1 1 94 94 GLY N N 94 106.990 106.990 109.385 -2.395 25502 7156 1 10 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.246 1.208 25502 7157 1 10 . 1 1 94 94 GLY H H 94 7.489 7.489 7.408 0.081 25502 7158 1 10 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.449 -0.645 25502 7159 1 10 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.624 -0.085 25502 7160 1 10 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.526 29.426 25502 7161 1 10 . 1 1 96 96 GLY N N 96 109.908 109.908 106.956 2.952 25502 7162 1 10 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.488 -0.659 25502 7163 1 10 . 1 1 96 96 GLY H H 96 9.271 9.271 8.709 0.562 25502 7164 1 10 . 1 1 97 97 ILE N N 97 121.176 121.176 120.371 0.805 25502 7165 1 10 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.356 -0.241 25502 7166 1 10 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.068 0.243 25502 7167 1 10 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.759 -1.001 25502 7168 1 10 . 1 1 97 97 ILE H H 97 6.765 6.765 7.291 -0.526 25502 7169 1 10 . 1 1 98 98 LEU N N 98 128.477 128.477 126.703 1.774 25502 7170 1 10 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.656 0.342 25502 7171 1 10 . 1 1 98 98 LEU CA C 98 53.233 53.233 52.800 0.433 25502 7172 1 10 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.965 -1.340 25502 7173 1 10 . 1 1 98 98 LEU H H 98 7.872 7.872 8.307 -0.435 25502 7174 1 10 . 1 1 99 99 SER N N 99 118.325 118.325 115.153 3.172 25502 7175 1 10 . 1 1 99 99 SER HA H 99 5.316 5.316 5.095 0.221 25502 7176 1 10 . 1 1 99 99 SER CA C 99 54.909 54.909 56.829 -1.920 25502 7177 1 10 . 1 1 99 99 SER CB C 99 65.380 65.380 65.780 -0.400 25502 7178 1 10 . 1 1 99 99 SER H H 99 8.285 8.285 7.474 0.811 25502 7179 1 10 . 1 1 100 100 MET N N 100 122.826 122.826 121.608 1.218 25502 7180 1 10 . 1 1 100 100 MET HA H 100 5.259 5.259 4.831 0.428 25502 7181 1 10 . 1 1 100 100 MET CA C 100 53.800 53.800 53.885 -0.085 25502 7182 1 10 . 1 1 100 100 MET CB C 100 30.960 30.960 33.044 -2.084 25502 7183 1 10 . 1 1 100 100 MET H H 100 8.544 8.544 8.342 0.202 25502 7184 1 10 . 1 1 101 101 ALA N N 101 125.971 125.971 126.763 -0.792 25502 7185 1 10 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.276 -0.000 25502 7186 1 10 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.884 -0.386 25502 7187 1 10 . 1 1 101 101 ALA CB C 101 19.403 19.403 20.966 -1.563 25502 7188 1 10 . 1 1 101 101 ALA H H 101 7.999 7.999 8.678 -0.679 25502 7189 1 10 . 1 1 102 102 ASN N N 102 113.207 113.207 121.173 -7.966 25502 7190 1 10 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.667 -0.091 25502 7191 1 10 . 1 1 102 102 ASN CA C 102 53.841 53.841 54.545 -0.704 25502 7192 1 10 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.624 0.755 25502 7193 1 10 . 1 1 102 102 ASN H H 102 8.097 8.097 8.793 -0.696 25502 7194 1 10 . 1 1 103 103 ALA N N 103 123.056 123.056 120.665 2.391 25502 7195 1 10 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.772 0.013 25502 7196 1 10 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.313 -2.159 25502 7197 1 10 . 1 1 103 103 ALA CB C 103 19.029 19.029 21.279 -2.250 25502 7198 1 10 . 1 1 103 103 ALA H H 103 8.787 8.787 7.913 0.874 25502 7199 1 10 . 1 1 104 104 GLY N N 104 108.942 108.942 107.608 1.334 25502 7200 1 10 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.236 -1.827 25502 7201 1 10 . 1 1 104 104 GLY H H 104 8.111 8.111 7.936 0.175 25502 7202 1 10 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.373 -0.046 25502 7203 1 10 . 1 1 105 105 PRO CA C 105 63.883 63.883 62.655 1.228 25502 7204 1 10 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.516 1.386 25502 7205 1 10 . 1 1 106 106 ASN N N 106 118.866 118.866 122.753 -3.887 25502 7206 1 10 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.399 -0.402 25502 7207 1 10 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.585 -0.482 25502 7208 1 10 . 1 1 106 106 ASN CB C 106 36.992 36.992 36.728 0.264 25502 7209 1 10 . 1 1 106 106 ASN H H 106 8.866 8.866 9.075 -0.209 25502 7210 1 10 . 1 1 107 107 THR N N 107 109.971 109.971 106.361 3.610 25502 7211 1 10 . 1 1 107 107 THR HA H 107 4.434 4.434 4.541 -0.107 25502 7212 1 10 . 1 1 107 107 THR CA C 107 60.040 60.040 60.522 -0.482 25502 7213 1 10 . 1 1 107 107 THR CB C 107 39.196 39.196 70.718 -31.522 25502 7214 1 10 . 1 1 107 107 THR H H 107 10.165 10.165 7.404 2.761 25502 7215 1 10 . 1 1 108 108 ASN N N 108 120.251 120.251 121.224 -0.973 25502 7216 1 10 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.353 -0.138 25502 7217 1 10 . 1 1 108 108 ASN CA C 108 55.448 55.448 56.303 -0.855 25502 7218 1 10 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.257 1.343 25502 7219 1 10 . 1 1 108 108 ASN H H 108 7.349 7.349 7.494 -0.145 25502 7220 1 10 . 1 1 109 109 GLY N N 109 110.632 110.632 106.352 4.280 25502 7221 1 10 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.980 0.060 25502 7222 1 10 . 1 1 109 109 GLY H H 109 9.188 9.188 8.628 0.560 25502 7223 1 10 . 1 1 110 110 SER N N 110 116.806 116.806 114.000 2.806 25502 7224 1 10 . 1 1 110 110 SER HA H 110 4.698 4.698 4.332 0.366 25502 7225 1 10 . 1 1 110 110 SER CA C 110 57.454 57.454 58.717 -1.263 25502 7226 1 10 . 1 1 110 110 SER CB C 110 65.964 65.964 62.875 3.089 25502 7227 1 10 . 1 1 110 110 SER H H 110 8.738 8.738 8.470 0.268 25502 7228 1 10 . 1 1 111 111 GLN N N 111 124.263 124.263 118.343 5.920 25502 7229 1 10 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.491 0.677 25502 7230 1 10 . 1 1 111 111 GLN CA C 111 57.494 57.494 55.026 2.469 25502 7231 1 10 . 1 1 111 111 GLN CB C 111 31.632 31.632 30.561 1.071 25502 7232 1 10 . 1 1 111 111 GLN H H 111 8.388 8.388 8.018 0.370 25502 7233 1 10 . 1 1 112 112 PHE N N 112 117.560 117.560 117.083 0.477 25502 7234 1 10 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.125 1.589 25502 7235 1 10 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.474 -3.027 25502 7236 1 10 . 1 1 112 112 PHE CB C 112 43.000 43.000 37.894 5.106 25502 7237 1 10 . 1 1 112 112 PHE H H 112 8.058 8.058 8.052 0.006 25502 7238 1 10 . 1 1 113 113 PHE N N 113 116.199 116.199 121.384 -5.185 25502 7239 1 10 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.302 1.368 25502 7240 1 10 . 1 1 113 113 PHE CA C 113 54.437 54.437 56.034 -1.597 25502 7241 1 10 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.378 1.239 25502 7242 1 10 . 1 1 113 113 PHE H H 113 9.795 9.795 7.201 2.594 25502 7243 1 10 . 1 1 114 114 ILE N N 114 118.391 118.391 124.045 -5.654 25502 7244 1 10 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.902 0.892 25502 7245 1 10 . 1 1 114 114 ILE CA C 114 60.060 60.060 61.155 -1.095 25502 7246 1 10 . 1 1 114 114 ILE CB C 114 40.162 40.162 39.745 0.417 25502 7247 1 10 . 1 1 114 114 ILE H H 114 9.098 9.098 8.332 0.766 25502 7248 1 10 . 1 1 115 115 CYS N N 115 125.271 125.271 128.317 -3.046 25502 7249 1 10 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.923 -0.171 25502 7250 1 10 . 1 1 115 115 CYS CA C 115 60.672 60.672 57.308 3.364 25502 7251 1 10 . 1 1 115 115 CYS CB C 115 58.569 58.569 27.224 31.345 25502 7252 1 10 . 1 1 115 115 CYS H H 115 9.597 9.597 8.254 1.343 25502 7253 1 10 . 1 1 116 116 THR N N 116 115.478 115.478 119.165 -3.687 25502 7254 1 10 . 1 1 116 116 THR HA H 116 4.324 4.324 4.310 0.014 25502 7255 1 10 . 1 1 116 116 THR CA C 116 60.720 60.720 61.896 -1.176 25502 7256 1 10 . 1 1 116 116 THR CB C 116 66.502 66.502 68.896 -2.394 25502 7257 1 10 . 1 1 116 116 THR H H 116 8.947 8.947 8.139 0.808 25502 7258 1 10 . 1 1 117 117 ALA N N 117 121.996 121.996 121.011 0.985 25502 7259 1 10 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.363 -0.005 25502 7260 1 10 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.520 -1.009 25502 7261 1 10 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.904 1.704 25502 7262 1 10 . 1 1 117 117 ALA H H 117 7.602 7.602 7.095 0.507 25502 7263 1 10 . 1 1 118 118 LYS N N 118 119.550 119.550 122.280 -2.730 25502 7264 1 10 . 1 1 118 118 LYS HA H 118 3.779 3.779 4.013 -0.234 25502 7265 1 10 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.224 0.440 25502 7266 1 10 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.890 0.609 25502 7267 1 10 . 1 1 118 118 LYS H H 118 8.690 8.690 8.473 0.217 25502 7268 1 10 . 1 1 119 119 THR N N 119 118.759 118.759 119.793 -1.034 25502 7269 1 10 . 1 1 119 119 THR HA H 119 3.623 3.623 2.120 1.503 25502 7270 1 10 . 1 1 119 119 THR CA C 119 57.088 57.088 58.618 -1.530 25502 7271 1 10 . 1 1 119 119 THR H H 119 7.328 7.328 7.968 -0.640 25502 7272 1 10 . 1 1 120 120 GLU N N 120 124.407 124.407 122.762 1.645 25502 7273 1 10 . 1 1 120 120 GLU HA H 120 4.120 4.120 4.026 0.094 25502 7274 1 10 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.809 0.263 25502 7275 1 10 . 1 1 120 120 GLU H H 120 9.092 9.092 7.273 1.819 25502 7276 1 10 . 1 1 121 121 TRP N N 121 117.495 117.495 119.063 -1.568 25502 7277 1 10 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.439 0.214 25502 7278 1 10 . 1 1 121 121 TRP CA C 121 59.461 59.461 57.989 1.472 25502 7279 1 10 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.140 -1.390 25502 7280 1 10 . 1 1 121 121 TRP H H 121 7.251 7.251 7.517 -0.266 25502 7281 1 10 . 1 1 122 122 LEU N N 122 119.528 119.528 119.399 0.129 25502 7282 1 10 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.992 0.259 25502 7283 1 10 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.780 -2.280 25502 7284 1 10 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.605 -2.707 25502 7285 1 10 . 1 1 122 122 LEU H H 122 7.019 7.019 6.840 0.179 25502 7286 1 10 . 1 1 123 123 ASP N N 123 121.832 121.832 117.602 4.230 25502 7287 1 10 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.322 0.843 25502 7288 1 10 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.044 0.812 25502 7289 1 10 . 1 1 123 123 ASP CB C 123 39.372 39.372 39.991 -0.619 25502 7290 1 10 . 1 1 123 123 ASP H H 123 7.607 7.607 7.946 -0.339 25502 7291 1 10 . 1 1 124 124 GLY N N 124 110.836 110.836 106.051 4.785 25502 7292 1 10 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.722 -0.699 25502 7293 1 10 . 1 1 124 124 GLY H H 124 9.522 9.522 8.610 0.912 25502 7294 1 10 . 1 1 125 125 LYS N N 125 115.016 115.016 116.967 -1.951 25502 7295 1 10 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.044 0.065 25502 7296 1 10 . 1 1 125 125 LYS CA C 125 56.248 56.248 57.278 -1.030 25502 7297 1 10 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.826 2.563 25502 7298 1 10 . 1 1 125 125 LYS H H 125 7.727 7.727 8.250 -0.523 25502 7299 1 10 . 1 1 126 126 HIS N N 126 119.223 119.223 114.013 5.210 25502 7300 1 10 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.944 -0.145 25502 7301 1 10 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.724 -0.165 25502 7302 1 10 . 1 1 126 126 HIS H H 126 7.571 7.571 7.588 -0.017 25502 7303 1 10 . 1 1 127 127 VAL N N 127 124.730 124.730 121.263 3.467 25502 7304 1 10 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.367 -0.109 25502 7305 1 10 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.191 2.455 25502 7306 1 10 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.408 0.008 25502 7307 1 10 . 1 1 127 127 VAL H H 127 8.474 8.474 8.669 -0.195 25502 7308 1 10 . 1 1 128 128 VAL N N 128 132.814 132.814 127.940 4.874 25502 7309 1 10 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.639 -0.489 25502 7310 1 10 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.395 -1.026 25502 7311 1 10 . 1 1 128 128 VAL H H 128 9.470 9.470 8.768 0.702 25502 7312 1 10 . 1 1 129 129 PHE N N 129 117.478 117.478 120.646 -3.168 25502 7313 1 10 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.000 0.253 25502 7314 1 10 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.391 -0.484 25502 7315 1 10 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.713 2.743 25502 7316 1 10 . 1 1 129 129 PHE H H 129 8.086 8.086 8.033 0.053 25502 7317 1 10 . 1 1 130 130 GLY N N 130 110.497 110.497 107.689 2.808 25502 7318 1 10 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.388 1.006 25502 7319 1 10 . 1 1 130 130 GLY H H 130 7.297 7.297 7.376 -0.079 25502 7320 1 10 . 1 1 131 131 LYS N N 131 115.059 115.059 117.208 -2.149 25502 7321 1 10 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.642 0.565 25502 7322 1 10 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.723 -0.928 25502 7323 1 10 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.787 0.065 25502 7324 1 10 . 1 1 131 131 LYS H H 131 8.353 8.353 8.357 -0.004 25502 7325 1 10 . 1 1 132 132 VAL N N 132 123.802 123.802 125.639 -1.837 25502 7326 1 10 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.741 0.147 25502 7327 1 10 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.766 -0.819 25502 7328 1 10 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.615 1.932 25502 7329 1 10 . 1 1 132 132 VAL H H 132 9.015 9.015 8.562 0.453 25502 7330 1 10 . 1 1 133 133 LYS N N 133 131.324 131.324 128.205 3.119 25502 7331 1 10 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.119 0.305 25502 7332 1 10 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.008 -0.348 25502 7333 1 10 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.388 0.479 25502 7334 1 10 . 1 1 133 133 LYS H H 133 9.469 9.469 8.758 0.711 25502 7335 1 10 . 1 1 134 134 GLU N N 134 118.178 118.178 116.220 1.958 25502 7336 1 10 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.367 0.192 25502 7337 1 10 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.851 -0.703 25502 7338 1 10 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.354 0.382 25502 7339 1 10 . 1 1 134 134 GLU H H 134 7.543 7.543 7.561 -0.018 25502 7340 1 10 . 1 1 135 135 GLY N N 135 107.767 107.767 110.272 -2.505 25502 7341 1 10 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.130 0.737 25502 7342 1 10 . 1 1 135 135 GLY H H 135 8.693 8.693 8.718 -0.025 25502 7343 1 10 . 1 1 136 136 MET N N 136 122.307 122.307 119.081 3.226 25502 7344 1 10 . 1 1 136 136 MET HA H 136 4.437 4.437 4.070 0.367 25502 7345 1 10 . 1 1 136 136 MET CA C 136 56.659 56.659 56.792 -0.133 25502 7346 1 10 . 1 1 136 136 MET CB C 136 30.025 30.025 31.936 -1.911 25502 7347 1 10 . 1 1 136 136 MET H H 136 8.790 8.790 8.515 0.275 25502 7348 1 10 . 1 1 137 137 ASN N N 137 114.221 114.221 117.370 -3.149 25502 7349 1 10 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.441 0.009 25502 7350 1 10 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.756 0.170 25502 7351 1 10 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.453 -1.636 25502 7352 1 10 . 1 1 137 137 ASN H H 137 8.849 8.849 8.562 0.287 25502 7353 1 10 . 1 1 138 138 ILE N N 138 123.949 123.949 119.632 4.317 25502 7354 1 10 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.934 -0.184 25502 7355 1 10 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.607 -2.276 25502 7356 1 10 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.690 -2.350 25502 7357 1 10 . 1 1 138 138 ILE H H 138 7.642 7.642 8.168 -0.526 25502 7358 1 10 . 1 1 139 139 VAL N N 139 121.654 121.654 118.775 2.879 25502 7359 1 10 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.771 0.073 25502 7360 1 10 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.423 -0.392 25502 7361 1 10 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.908 0.068 25502 7362 1 10 . 1 1 139 139 VAL H H 139 7.244 7.244 7.689 -0.445 25502 7363 1 10 . 1 1 140 140 GLU N N 140 117.078 117.078 118.681 -1.603 25502 7364 1 10 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.077 -0.034 25502 7365 1 10 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.925 0.237 25502 7366 1 10 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.347 0.072 25502 7367 1 10 . 1 1 140 140 GLU H H 140 8.291 8.291 7.572 0.719 25502 7368 1 10 . 1 1 141 141 ALA N N 141 120.813 120.813 122.540 -1.727 25502 7369 1 10 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.130 -0.069 25502 7370 1 10 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.832 -0.103 25502 7371 1 10 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.484 -0.468 25502 7372 1 10 . 1 1 141 141 ALA H H 141 7.495 7.495 7.601 -0.106 25502 7373 1 10 . 1 1 142 142 MET N N 142 117.301 117.301 117.728 -0.427 25502 7374 1 10 . 1 1 142 142 MET HA H 142 3.938 3.938 4.283 -0.345 25502 7375 1 10 . 1 1 142 142 MET CA C 142 59.610 59.610 59.318 0.292 25502 7376 1 10 . 1 1 142 142 MET CB C 142 33.678 33.678 32.432 1.246 25502 7377 1 10 . 1 1 142 142 MET H H 142 8.259 8.259 8.038 0.221 25502 7378 1 10 . 1 1 143 143 GLU N N 143 116.052 116.052 118.047 -1.995 25502 7379 1 10 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.116 -0.400 25502 7380 1 10 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.194 -0.012 25502 7381 1 10 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.787 1.484 25502 7382 1 10 . 1 1 143 143 GLU H H 143 7.832 7.832 7.963 -0.131 25502 7383 1 10 . 1 1 144 144 ARG N N 144 114.357 114.357 119.069 -4.712 25502 7384 1 10 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.054 -0.132 25502 7385 1 10 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.908 -0.366 25502 7386 1 10 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.172 0.131 25502 7387 1 10 . 1 1 144 144 ARG H H 144 7.034 7.034 7.318 -0.284 25502 7388 1 10 . 1 1 145 145 PHE N N 145 115.146 115.146 116.390 -1.244 25502 7389 1 10 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.809 -0.016 25502 7390 1 10 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.946 0.668 25502 7391 1 10 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.382 -0.469 25502 7392 1 10 . 1 1 145 145 PHE H H 145 7.624 7.624 8.128 -0.504 25502 7393 1 10 . 1 1 146 146 GLY N N 146 104.498 104.498 107.156 -2.658 25502 7394 1 10 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.538 0.611 25502 7395 1 10 . 1 1 146 146 GLY H H 146 7.514 7.514 7.406 0.108 25502 7396 1 10 . 1 1 147 147 SER N N 147 109.815 109.815 115.105 -5.290 25502 7397 1 10 . 1 1 147 147 SER HA H 147 4.755 4.755 4.766 -0.011 25502 7398 1 10 . 1 1 147 147 SER CA C 147 58.033 58.033 56.986 1.047 25502 7399 1 10 . 1 1 147 147 SER H H 147 8.190 8.190 8.545 -0.355 25502 7400 1 10 . 1 1 148 148 ARG N N 148 119.789 119.789 124.373 -4.584 25502 7401 1 10 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.275 -0.108 25502 7402 1 10 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.907 2.584 25502 7403 1 10 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.827 1.835 25502 7404 1 10 . 1 1 148 148 ARG H H 148 8.795 8.795 8.831 -0.036 25502 7405 1 10 . 1 1 149 149 ASN N N 149 111.378 111.378 118.861 -7.483 25502 7406 1 10 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.676 0.158 25502 7407 1 10 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.523 -1.403 25502 7408 1 10 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.743 -1.502 25502 7409 1 10 . 1 1 149 149 ASN H H 149 7.841 7.841 8.521 -0.680 25502 7410 1 10 . 1 1 150 150 GLY N N 150 109.893 109.893 107.575 2.318 25502 7411 1 10 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.778 -0.881 25502 7412 1 10 . 1 1 150 150 GLY H H 150 8.040 8.040 7.810 0.230 25502 7413 1 10 . 1 1 151 151 LYS N N 151 119.608 119.608 121.389 -1.781 25502 7414 1 10 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.311 0.094 25502 7415 1 10 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.861 -0.816 25502 7416 1 10 . 1 1 151 151 LYS CB C 151 32.269 32.269 32.761 -0.492 25502 7417 1 10 . 1 1 151 151 LYS H H 151 7.525 7.525 8.034 -0.509 25502 7418 1 10 . 1 1 152 152 THR N N 152 116.317 116.317 108.419 7.898 25502 7419 1 10 . 1 1 152 152 THR HA H 152 5.532 5.532 4.598 0.934 25502 7420 1 10 . 1 1 152 152 THR CA C 152 59.953 59.953 60.165 -0.212 25502 7421 1 10 . 1 1 152 152 THR CB C 152 71.108 71.108 71.556 -0.448 25502 7422 1 10 . 1 1 152 152 THR H H 152 8.823 8.823 7.953 0.870 25502 7423 1 10 . 1 1 153 153 SER N N 153 116.804 116.804 115.838 0.966 25502 7424 1 10 . 1 1 153 153 SER HA H 153 4.456 4.456 4.629 -0.173 25502 7425 1 10 . 1 1 153 153 SER CA C 153 58.712 58.712 60.031 -1.319 25502 7426 1 10 . 1 1 153 153 SER CB C 153 63.477 63.477 63.910 -0.433 25502 7427 1 10 . 1 1 153 153 SER H H 153 9.412 9.412 9.082 0.330 25502 7428 1 10 . 1 1 154 154 LYS N N 154 119.068 119.068 122.252 -3.184 25502 7429 1 10 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.304 0.228 25502 7430 1 10 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.158 -1.758 25502 7431 1 10 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.217 5.189 25502 7432 1 10 . 1 1 154 154 LYS H H 154 7.527 7.527 8.105 -0.578 25502 7433 1 10 . 1 1 155 155 LYS N N 155 121.541 121.541 121.011 0.530 25502 7434 1 10 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.575 -0.262 25502 7435 1 10 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.051 1.096 25502 7436 1 10 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.469 -0.481 25502 7437 1 10 . 1 1 155 155 LYS H H 155 8.791 8.791 8.346 0.445 25502 7438 1 10 . 1 1 156 156 ILE N N 156 133.980 133.980 130.129 3.851 25502 7439 1 10 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.013 0.080 25502 7440 1 10 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.795 -1.532 25502 7441 1 10 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.816 -0.976 25502 7442 1 10 . 1 1 156 156 ILE H H 156 9.606 9.606 8.850 0.756 25502 7443 1 10 . 1 1 157 157 THR N N 157 116.977 116.977 121.426 -4.449 25502 7444 1 10 . 1 1 157 157 THR HA H 157 5.274 5.274 5.356 -0.082 25502 7445 1 10 . 1 1 157 157 THR CA C 157 59.475 59.475 59.633 -0.158 25502 7446 1 10 . 1 1 157 157 THR CB C 157 72.475 72.475 71.902 0.573 25502 7447 1 10 . 1 1 157 157 THR H H 157 9.233 9.233 8.511 0.722 25502 7448 1 10 . 1 1 158 158 ILE N N 158 121.529 121.529 121.206 0.323 25502 7449 1 10 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.035 -0.793 25502 7450 1 10 . 1 1 158 158 ILE CA C 158 60.868 60.868 59.981 0.887 25502 7451 1 10 . 1 1 158 158 ILE CB C 158 36.790 36.790 39.015 -2.225 25502 7452 1 10 . 1 1 158 158 ILE H H 158 8.580 8.580 8.020 0.560 25502 7453 1 10 . 1 1 159 159 ALA N N 159 132.313 132.313 131.495 0.818 25502 7454 1 10 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.265 -0.141 25502 7455 1 10 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.569 0.504 25502 7456 1 10 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.780 -0.767 25502 7457 1 10 . 1 1 159 159 ALA H H 159 8.873 8.873 8.750 0.123 25502 7458 1 10 . 1 1 160 160 ASP N N 160 111.257 111.257 116.728 -5.471 25502 7459 1 10 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.754 0.136 25502 7460 1 10 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.516 -0.877 25502 7461 1 10 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.445 0.142 25502 7462 1 10 . 1 1 160 160 ASP H H 160 8.066 8.066 7.844 0.222 25502 7463 1 10 . 1 1 161 161 CYS N N 161 115.837 115.837 118.874 -3.037 25502 7464 1 10 . 1 1 161 161 CYS HA H 161 4.544 4.544 4.214 0.330 25502 7465 1 10 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.675 -0.527 25502 7466 1 10 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.737 -0.600 25502 7467 1 10 . 1 1 161 161 CYS H H 161 8.591 8.591 8.277 0.314 25502 7468 1 10 . 1 1 162 162 GLY N N 162 103.888 103.888 108.229 -4.341 25502 7469 1 10 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.936 0.413 25502 7470 1 10 . 1 1 162 162 GLY H H 162 6.844 6.844 7.453 -0.609 25502 7471 1 10 . 1 1 163 163 GLN N N 163 120.718 120.718 120.684 0.034 25502 7472 1 10 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.386 0.683 25502 7473 1 10 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.614 -1.806 25502 7474 1 10 . 1 1 163 163 GLN CB C 163 30.590 30.590 28.857 1.733 25502 7475 1 10 . 1 1 163 163 GLN H H 163 9.066 9.066 8.451 0.615 25502 7476 1 10 . 1 1 164 164 LEU N N 164 125.816 125.816 126.872 -1.056 25502 7477 1 10 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.227 0.380 25502 7478 1 10 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.055 -1.316 25502 7479 1 10 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.793 1.569 25502 7480 1 10 . 1 1 164 164 LEU H H 164 8.593 8.593 8.742 -0.149 25502 7481 1 11 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.329 -0.153 25502 7482 1 11 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.282 -0.790 25502 7483 1 11 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.322 -0.196 25502 7484 1 11 . 1 1 3 3 ASN N N 3 126.515 126.515 125.301 1.214 25502 7485 1 11 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.162 -0.025 25502 7486 1 11 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.110 -0.102 25502 7487 1 11 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.592 -1.793 25502 7488 1 11 . 1 1 3 3 ASN H H 3 8.600 8.600 8.408 0.192 25502 7489 1 11 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.409 0.344 25502 7490 1 11 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.706 -0.037 25502 7491 1 11 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.586 0.552 25502 7492 1 11 . 1 1 5 5 THR N N 5 114.826 114.826 116.689 -1.863 25502 7493 1 11 . 1 1 5 5 THR HA H 5 5.716 5.716 4.678 1.038 25502 7494 1 11 . 1 1 5 5 THR CA C 5 60.698 60.698 61.543 -0.845 25502 7495 1 11 . 1 1 5 5 THR CB C 5 41.142 41.142 72.036 -30.894 25502 7496 1 11 . 1 1 5 5 THR H H 5 8.771 8.771 8.222 0.549 25502 7497 1 11 . 1 1 6 6 VAL N N 6 120.113 120.113 123.441 -3.328 25502 7498 1 11 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.397 -0.058 25502 7499 1 11 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.479 -0.682 25502 7500 1 11 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.230 0.905 25502 7501 1 11 . 1 1 6 6 VAL H H 6 8.741 8.741 8.170 0.571 25502 7502 1 11 . 1 1 7 7 PHE N N 7 118.968 118.968 123.071 -4.103 25502 7503 1 11 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.083 0.812 25502 7504 1 11 . 1 1 7 7 PHE CA C 7 55.688 55.688 54.970 0.718 25502 7505 1 11 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.495 1.548 25502 7506 1 11 . 1 1 7 7 PHE H H 7 8.954 8.954 8.124 0.830 25502 7507 1 11 . 1 1 8 8 PHE N N 8 116.774 116.774 119.557 -2.783 25502 7508 1 11 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.678 0.639 25502 7509 1 11 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.526 -4.103 25502 7510 1 11 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.733 1.137 25502 7511 1 11 . 1 1 8 8 PHE H H 8 9.540 9.540 8.495 1.045 25502 7512 1 11 . 1 1 9 9 ASP N N 9 123.959 123.959 124.431 -0.472 25502 7513 1 11 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.651 0.882 25502 7514 1 11 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.335 -0.570 25502 7515 1 11 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.417 -0.104 25502 7516 1 11 . 1 1 9 9 ASP H H 9 9.266 9.266 9.043 0.223 25502 7517 1 11 . 1 1 10 10 ILE N N 10 124.122 124.122 125.859 -1.737 25502 7518 1 11 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.665 0.507 25502 7519 1 11 . 1 1 10 10 ILE CA C 10 58.159 58.159 59.753 -1.594 25502 7520 1 11 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.220 0.483 25502 7521 1 11 . 1 1 10 10 ILE H H 10 9.030 9.030 7.807 1.223 25502 7522 1 11 . 1 1 11 11 ALA N N 11 132.244 132.244 130.976 1.268 25502 7523 1 11 . 1 1 11 11 ALA HA H 11 5.165 5.165 5.012 0.153 25502 7524 1 11 . 1 1 11 11 ALA CA C 11 50.664 50.664 49.902 0.762 25502 7525 1 11 . 1 1 11 11 ALA CB C 11 52.561 52.561 22.757 29.804 25502 7526 1 11 . 1 1 11 11 ALA H H 11 9.603 9.603 9.313 0.290 25502 7527 1 11 . 1 1 12 12 VAL N N 12 118.199 118.199 121.192 -2.993 25502 7528 1 11 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.621 -0.110 25502 7529 1 11 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.314 -0.888 25502 7530 1 11 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.928 0.253 25502 7531 1 11 . 1 1 12 12 VAL H H 12 8.943 8.943 8.711 0.232 25502 7532 1 11 . 1 1 13 13 ASP N N 13 130.748 130.748 128.479 2.269 25502 7533 1 11 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.316 0.004 25502 7534 1 11 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.412 0.414 25502 7535 1 11 . 1 1 13 13 ASP CB C 13 39.835 39.835 39.990 -0.155 25502 7536 1 11 . 1 1 13 13 ASP H H 13 9.846 9.846 9.101 0.745 25502 7537 1 11 . 1 1 14 14 GLY N N 14 101.493 101.493 102.802 -1.309 25502 7538 1 11 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.983 0.100 25502 7539 1 11 . 1 1 14 14 GLY H H 14 8.558 8.558 8.684 -0.126 25502 7540 1 11 . 1 1 15 15 GLU N N 15 123.014 123.014 123.549 -0.535 25502 7541 1 11 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.698 0.138 25502 7542 1 11 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.792 -0.039 25502 7543 1 11 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.229 0.007 25502 7544 1 11 . 1 1 15 15 GLU H H 15 8.046 8.046 7.645 0.401 25502 7545 1 11 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.567 -0.391 25502 7546 1 11 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.025 1.521 25502 7547 1 11 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.428 29.683 25502 7548 1 11 . 1 1 17 17 LEU N N 17 125.784 125.784 123.867 1.917 25502 7549 1 11 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.132 0.555 25502 7550 1 11 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.658 -1.310 25502 7551 1 11 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.499 1.657 25502 7552 1 11 . 1 1 17 17 LEU H H 17 9.189 9.189 8.854 0.335 25502 7553 1 11 . 1 1 18 18 GLY N N 18 102.200 102.200 103.691 -1.491 25502 7554 1 11 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.568 0.401 25502 7555 1 11 . 1 1 18 18 GLY H H 18 7.256 7.256 7.449 -0.193 25502 7556 1 11 . 1 1 19 19 ARG N N 19 120.995 120.995 123.561 -2.566 25502 7557 1 11 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.702 0.920 25502 7558 1 11 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.011 0.004 25502 7559 1 11 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.637 0.703 25502 7560 1 11 . 1 1 19 19 ARG H H 19 8.320 8.320 8.325 -0.005 25502 7561 1 11 . 1 1 20 20 VAL N N 20 126.616 126.616 124.648 1.968 25502 7562 1 11 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.828 -0.225 25502 7563 1 11 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.508 -1.567 25502 7564 1 11 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.645 1.238 25502 7565 1 11 . 1 1 20 20 VAL H H 20 9.364 9.364 8.597 0.767 25502 7566 1 11 . 1 1 21 21 SER N N 21 120.061 120.061 120.159 -0.098 25502 7567 1 11 . 1 1 21 21 SER HA H 21 5.515 5.515 5.042 0.473 25502 7568 1 11 . 1 1 21 21 SER CA C 21 55.317 55.317 55.534 -0.217 25502 7569 1 11 . 1 1 21 21 SER CB C 21 36.773 36.773 66.258 -29.485 25502 7570 1 11 . 1 1 21 21 SER H H 21 8.768 8.768 7.911 0.857 25502 7571 1 11 . 1 1 22 22 PHE N N 22 118.878 118.878 118.191 0.687 25502 7572 1 11 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.207 0.030 25502 7573 1 11 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.889 -1.201 25502 7574 1 11 . 1 1 22 22 PHE CB C 22 42.574 42.574 42.475 0.099 25502 7575 1 11 . 1 1 22 22 PHE H H 22 9.508 9.508 8.849 0.659 25502 7576 1 11 . 1 1 23 23 GLU N N 23 122.926 122.926 124.143 -1.217 25502 7577 1 11 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.472 0.277 25502 7578 1 11 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.315 -0.366 25502 7579 1 11 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.102 1.527 25502 7580 1 11 . 1 1 23 23 GLU H H 23 8.740 8.740 9.056 -0.316 25502 7581 1 11 . 1 1 24 24 LEU N N 24 122.262 122.262 127.983 -5.721 25502 7582 1 11 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.608 0.089 25502 7583 1 11 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.306 -2.755 25502 7584 1 11 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.661 0.459 25502 7585 1 11 . 1 1 24 24 LEU H H 24 8.185 8.185 8.050 0.135 25502 7586 1 11 . 1 1 25 25 PHE N N 25 124.423 124.423 124.872 -0.449 25502 7587 1 11 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.522 0.586 25502 7588 1 11 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.732 -3.442 25502 7589 1 11 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.571 -0.610 25502 7590 1 11 . 1 1 25 25 PHE H H 25 8.815 8.815 9.366 -0.551 25502 7591 1 11 . 1 1 26 26 ALA N N 26 128.683 128.683 124.828 3.855 25502 7592 1 11 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.288 -0.517 25502 7593 1 11 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.597 -0.311 25502 7594 1 11 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.564 0.061 25502 7595 1 11 . 1 1 26 26 ALA H H 26 8.433 8.433 8.044 0.389 25502 7596 1 11 . 1 1 27 27 ASP N N 27 114.069 114.069 117.136 -3.067 25502 7597 1 11 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.536 -0.293 25502 7598 1 11 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.489 -1.161 25502 7599 1 11 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.900 -2.045 25502 7600 1 11 . 1 1 27 27 ASP H H 27 9.052 9.052 8.571 0.481 25502 7601 1 11 . 1 1 28 28 LYS N N 28 117.763 117.763 117.097 0.666 25502 7602 1 11 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.511 0.060 25502 7603 1 11 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.829 -0.597 25502 7604 1 11 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.614 1.308 25502 7605 1 11 . 1 1 28 28 LYS H H 28 7.545 7.545 7.874 -0.329 25502 7606 1 11 . 1 1 29 29 VAL N N 29 114.212 114.212 114.935 -0.723 25502 7607 1 11 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.713 -0.262 25502 7608 1 11 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.921 -0.832 25502 7609 1 11 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.463 0.282 25502 7610 1 11 . 1 1 29 29 VAL H H 29 8.368 8.368 8.254 0.114 25502 7611 1 11 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.388 0.007 25502 7612 1 11 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.418 0.665 25502 7613 1 11 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.917 -0.613 25502 7614 1 11 . 1 1 31 31 LYS N N 31 123.500 123.500 118.560 4.940 25502 7615 1 11 . 1 1 31 31 LYS HA H 31 4.007 4.007 3.957 0.050 25502 7616 1 11 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.157 1.199 25502 7617 1 11 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.351 0.928 25502 7618 1 11 . 1 1 31 31 LYS H H 31 10.663 10.663 8.574 2.089 25502 7619 1 11 . 1 1 32 32 THR N N 32 123.707 123.707 111.839 11.868 25502 7620 1 11 . 1 1 32 32 THR HA H 32 3.988 3.988 4.130 -0.142 25502 7621 1 11 . 1 1 32 32 THR CA C 32 37.678 37.678 65.481 -27.803 25502 7622 1 11 . 1 1 32 32 THR CB C 32 38.883 38.883 68.748 -29.865 25502 7623 1 11 . 1 1 32 32 THR H H 32 10.283 10.283 7.530 2.753 25502 7624 1 11 . 1 1 33 33 ALA N N 33 125.366 125.366 124.847 0.519 25502 7625 1 11 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.300 -0.263 25502 7626 1 11 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.406 0.461 25502 7627 1 11 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.352 -0.117 25502 7628 1 11 . 1 1 33 33 ALA H H 33 9.281 9.281 8.446 0.835 25502 7629 1 11 . 1 1 34 34 GLU N N 34 117.040 117.040 118.119 -1.079 25502 7630 1 11 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.972 0.537 25502 7631 1 11 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.720 -1.834 25502 7632 1 11 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.483 28.420 25502 7633 1 11 . 1 1 34 34 GLU H H 34 8.027 8.027 8.532 -0.505 25502 7634 1 11 . 1 1 35 35 ASN N N 35 115.398 115.398 118.288 -2.890 25502 7635 1 11 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.447 -0.393 25502 7636 1 11 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.677 -0.046 25502 7637 1 11 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.502 0.963 25502 7638 1 11 . 1 1 35 35 ASN H H 35 7.139 7.139 7.587 -0.448 25502 7639 1 11 . 1 1 36 36 PHE N N 36 117.607 117.607 120.405 -2.798 25502 7640 1 11 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.262 -0.153 25502 7641 1 11 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.613 0.778 25502 7642 1 11 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.136 0.877 25502 7643 1 11 . 1 1 36 36 PHE H H 36 7.012 7.012 7.693 -0.681 25502 7644 1 11 . 1 1 37 37 ARG N N 37 120.804 120.804 120.148 0.656 25502 7645 1 11 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.962 -0.330 25502 7646 1 11 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.632 0.749 25502 7647 1 11 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.320 -0.460 25502 7648 1 11 . 1 1 37 37 ARG H H 37 8.935 8.935 8.865 0.070 25502 7649 1 11 . 1 1 38 38 ALA N N 38 118.869 118.869 122.717 -3.848 25502 7650 1 11 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.117 -0.048 25502 7651 1 11 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.018 -0.678 25502 7652 1 11 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.329 -0.094 25502 7653 1 11 . 1 1 38 38 ALA H H 38 8.687 8.687 8.290 0.397 25502 7654 1 11 . 1 1 39 39 LEU N N 39 120.488 120.488 118.230 2.258 25502 7655 1 11 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.908 -0.164 25502 7656 1 11 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.236 -0.121 25502 7657 1 11 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.995 -0.969 25502 7658 1 11 . 1 1 39 39 LEU H H 39 8.173 8.173 7.996 0.177 25502 7659 1 11 . 1 1 40 40 SER N N 40 118.952 118.952 114.926 4.026 25502 7660 1 11 . 1 1 40 40 SER HA H 40 4.444 4.444 3.837 0.608 25502 7661 1 11 . 1 1 40 40 SER CA C 40 62.334 62.334 61.416 0.918 25502 7662 1 11 . 1 1 40 40 SER CB C 40 62.884 62.884 62.823 0.061 25502 7663 1 11 . 1 1 40 40 SER H H 40 7.900 7.900 8.139 -0.239 25502 7664 1 11 . 1 1 41 41 THR N N 41 108.208 108.208 113.016 -4.808 25502 7665 1 11 . 1 1 41 41 THR HA H 41 4.288 4.288 4.055 0.233 25502 7666 1 11 . 1 1 41 41 THR CA C 41 62.810 62.810 64.353 -1.544 25502 7667 1 11 . 1 1 41 41 THR CB C 41 69.221 69.221 68.816 0.405 25502 7668 1 11 . 1 1 41 41 THR H H 41 7.974 7.974 8.285 -0.311 25502 7669 1 11 . 1 1 42 42 GLY N N 42 108.122 108.122 107.617 0.505 25502 7670 1 11 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.197 0.560 25502 7671 1 11 . 1 1 42 42 GLY H H 42 7.582 7.582 8.119 -0.537 25502 7672 1 11 . 1 1 43 43 GLU N N 43 118.454 118.454 122.164 -3.710 25502 7673 1 11 . 1 1 43 43 GLU HA H 43 4.120 4.120 4.002 0.118 25502 7674 1 11 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.732 -0.375 25502 7675 1 11 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.135 0.807 25502 7676 1 11 . 1 1 43 43 GLU H H 43 8.009 8.009 7.783 0.226 25502 7677 1 11 . 1 1 44 44 LYS N N 44 118.055 118.055 119.214 -1.159 25502 7678 1 11 . 1 1 44 44 LYS HA H 44 4.281 4.281 4.154 0.127 25502 7679 1 11 . 1 1 44 44 LYS CA C 44 54.120 54.120 56.939 -2.819 25502 7680 1 11 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.878 -2.582 25502 7681 1 11 . 1 1 44 44 LYS H H 44 9.102 9.102 7.628 1.474 25502 7682 1 11 . 1 1 45 45 GLY N N 45 105.305 105.305 105.875 -0.570 25502 7683 1 11 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.256 -0.725 25502 7684 1 11 . 1 1 45 45 GLY H H 45 7.939 7.939 8.194 -0.255 25502 7685 1 11 . 1 1 46 46 PHE N N 46 113.461 113.461 115.796 -2.335 25502 7686 1 11 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.875 -0.251 25502 7687 1 11 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.922 -2.041 25502 7688 1 11 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.248 0.219 25502 7689 1 11 . 1 1 46 46 PHE H H 46 6.413 6.413 7.407 -0.994 25502 7690 1 11 . 1 1 47 47 GLY N N 47 104.416 104.416 107.019 -2.603 25502 7691 1 11 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.951 0.507 25502 7692 1 11 . 1 1 47 47 GLY H H 47 7.686 7.686 8.518 -0.832 25502 7693 1 11 . 1 1 48 48 TYR N N 48 113.530 113.530 121.270 -7.740 25502 7694 1 11 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.223 -0.015 25502 7695 1 11 . 1 1 48 48 TYR CA C 48 57.039 57.039 56.997 0.042 25502 7696 1 11 . 1 1 48 48 TYR CB C 48 38.419 38.419 38.552 -0.133 25502 7697 1 11 . 1 1 48 48 TYR H H 48 6.887 6.887 8.283 -1.396 25502 7698 1 11 . 1 1 49 49 LYS N N 49 124.631 124.631 121.520 3.111 25502 7699 1 11 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.297 -0.702 25502 7700 1 11 . 1 1 49 49 LYS CA C 49 60.882 60.882 56.613 4.269 25502 7701 1 11 . 1 1 49 49 LYS CB C 49 31.168 31.168 31.649 -0.481 25502 7702 1 11 . 1 1 49 49 LYS H H 49 8.474 8.474 7.789 0.685 25502 7703 1 11 . 1 1 50 50 GLY N N 50 117.591 117.591 112.624 4.967 25502 7704 1 11 . 1 1 50 50 GLY CA C 50 45.041 45.041 44.747 0.294 25502 7705 1 11 . 1 1 50 50 GLY H H 50 9.482 9.482 7.993 1.489 25502 7706 1 11 . 1 1 51 51 SER N N 51 116.156 116.156 115.596 0.560 25502 7707 1 11 . 1 1 51 51 SER HA H 51 4.658 4.658 4.588 0.070 25502 7708 1 11 . 1 1 51 51 SER CA C 51 58.682 58.682 58.789 -0.107 25502 7709 1 11 . 1 1 51 51 SER CB C 51 64.607 64.607 64.328 0.279 25502 7710 1 11 . 1 1 51 51 SER H H 51 8.397 8.397 8.142 0.255 25502 7711 1 11 . 1 1 52 52 CYS N N 52 114.800 114.800 117.003 -2.203 25502 7712 1 11 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.764 1.131 25502 7713 1 11 . 1 1 52 52 CYS CA C 52 55.965 55.965 57.175 -1.210 25502 7714 1 11 . 1 1 52 52 CYS CB C 52 31.719 31.719 31.816 -0.097 25502 7715 1 11 . 1 1 52 52 CYS H H 52 9.858 9.858 8.130 1.728 25502 7716 1 11 . 1 1 53 53 PHE N N 53 122.839 122.839 116.945 5.894 25502 7717 1 11 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.810 0.043 25502 7718 1 11 . 1 1 53 53 PHE CA C 53 58.083 58.083 56.932 1.151 25502 7719 1 11 . 1 1 53 53 PHE CB C 53 38.728 38.728 41.606 -2.878 25502 7720 1 11 . 1 1 53 53 PHE H H 53 8.702 8.702 8.416 0.286 25502 7721 1 11 . 1 1 54 54 HIS N N 54 119.944 119.944 121.723 -1.779 25502 7722 1 11 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.878 -0.172 25502 7723 1 11 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.680 1.305 25502 7724 1 11 . 1 1 54 54 HIS CB C 54 31.344 31.344 31.563 -0.219 25502 7725 1 11 . 1 1 54 54 HIS H H 54 7.623 7.623 8.325 -0.702 25502 7726 1 11 . 1 1 55 55 ARG N N 55 122.758 122.758 120.631 2.127 25502 7727 1 11 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.622 0.477 25502 7728 1 11 . 1 1 55 55 ARG CA C 55 54.703 54.703 55.816 -1.113 25502 7729 1 11 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.686 3.085 25502 7730 1 11 . 1 1 55 55 ARG H H 55 7.031 7.031 7.906 -0.875 25502 7731 1 11 . 1 1 56 56 ILE N N 56 126.170 126.170 123.027 3.143 25502 7732 1 11 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.232 0.357 25502 7733 1 11 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.080 0.371 25502 7734 1 11 . 1 1 56 56 ILE CB C 56 41.632 41.632 39.942 1.690 25502 7735 1 11 . 1 1 56 56 ILE H H 56 9.166 9.166 7.630 1.536 25502 7736 1 11 . 1 1 57 57 ILE N N 57 127.731 127.731 127.105 0.626 25502 7737 1 11 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.864 0.333 25502 7738 1 11 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.666 -0.052 25502 7739 1 11 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.299 0.716 25502 7740 1 11 . 1 1 57 57 ILE H H 57 8.718 8.718 8.471 0.247 25502 7741 1 11 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.441 -0.117 25502 7742 1 11 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.327 -0.378 25502 7743 1 11 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.366 1.545 25502 7744 1 11 . 1 1 59 59 GLY N N 59 113.877 113.877 112.502 1.375 25502 7745 1 11 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.514 -0.336 25502 7746 1 11 . 1 1 59 59 GLY H H 59 9.679 9.679 8.273 1.406 25502 7747 1 11 . 1 1 60 60 PHE N N 60 118.955 118.955 120.900 -1.945 25502 7748 1 11 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.862 0.231 25502 7749 1 11 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.529 -1.784 25502 7750 1 11 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.227 -3.534 25502 7751 1 11 . 1 1 60 60 PHE H H 60 8.095 8.095 7.984 0.111 25502 7752 1 11 . 1 1 61 61 MET N N 61 110.963 110.963 111.692 -0.729 25502 7753 1 11 . 1 1 61 61 MET HA H 61 5.311 5.311 4.825 0.486 25502 7754 1 11 . 1 1 61 61 MET CA C 61 54.802 54.802 55.414 -0.612 25502 7755 1 11 . 1 1 61 61 MET CB C 61 34.892 34.892 33.657 1.235 25502 7756 1 11 . 1 1 61 61 MET H H 61 8.088 8.088 7.944 0.144 25502 7757 1 11 . 1 1 62 62 CYS N N 62 114.627 114.627 117.860 -3.233 25502 7758 1 11 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.812 0.061 25502 7759 1 11 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.990 -0.655 25502 7760 1 11 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.043 30.017 25502 7761 1 11 . 1 1 62 62 CYS H H 62 8.474 8.474 8.391 0.083 25502 7762 1 11 . 1 1 63 63 GLN N N 63 126.463 126.463 116.858 9.605 25502 7763 1 11 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.003 1.373 25502 7764 1 11 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.529 -1.005 25502 7765 1 11 . 1 1 63 63 GLN CB C 63 30.400 30.400 31.429 -1.029 25502 7766 1 11 . 1 1 63 63 GLN H H 63 9.651 9.651 7.932 1.719 25502 7767 1 11 . 1 1 64 64 GLY N N 64 110.531 110.531 109.067 1.464 25502 7768 1 11 . 1 1 64 64 GLY CA C 64 44.400 44.400 44.991 -0.591 25502 7769 1 11 . 1 1 64 64 GLY H H 64 7.352 7.352 9.146 -1.794 25502 7770 1 11 . 1 1 65 65 GLY N N 65 105.572 105.572 109.079 -3.507 25502 7771 1 11 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.529 1.896 25502 7772 1 11 . 1 1 65 65 GLY H H 65 9.292 9.292 8.387 0.905 25502 7773 1 11 . 1 1 66 66 ASP N N 66 123.656 123.656 120.039 3.617 25502 7774 1 11 . 1 1 66 66 ASP HA H 66 4.290 4.290 5.044 -0.754 25502 7775 1 11 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.036 -1.531 25502 7776 1 11 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.451 -3.749 25502 7777 1 11 . 1 1 66 66 ASP H H 66 9.910 9.910 8.386 1.524 25502 7778 1 11 . 1 1 67 67 PHE N N 67 115.914 115.914 116.231 -0.317 25502 7779 1 11 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.816 -0.219 25502 7780 1 11 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.416 -0.632 25502 7781 1 11 . 1 1 67 67 PHE CB C 67 39.357 39.357 38.256 1.101 25502 7782 1 11 . 1 1 67 67 PHE H H 67 6.624 6.624 8.271 -1.647 25502 7783 1 11 . 1 1 68 68 THR N N 68 108.853 108.853 116.354 -7.501 25502 7784 1 11 . 1 1 68 68 THR HA H 68 4.638 4.638 3.654 0.984 25502 7785 1 11 . 1 1 68 68 THR CA C 68 61.621 61.621 64.803 -3.182 25502 7786 1 11 . 1 1 68 68 THR CB C 68 68.789 68.789 69.016 -0.227 25502 7787 1 11 . 1 1 68 68 THR H H 68 7.320 7.320 7.451 -0.131 25502 7788 1 11 . 1 1 69 69 ARG N N 69 121.780 121.780 118.569 3.211 25502 7789 1 11 . 1 1 69 69 ARG HA H 69 4.362 4.362 3.775 0.587 25502 7790 1 11 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.722 -1.694 25502 7791 1 11 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.254 31.279 25502 7792 1 11 . 1 1 69 69 ARG H H 69 8.655 8.655 8.185 0.470 25502 7793 1 11 . 1 1 70 70 HIS N N 70 112.009 112.009 120.076 -8.067 25502 7794 1 11 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.847 -0.449 25502 7795 1 11 . 1 1 70 70 HIS CA C 70 57.135 57.135 55.846 1.289 25502 7796 1 11 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.385 29.049 25502 7797 1 11 . 1 1 70 70 HIS H H 70 6.838 6.838 8.646 -1.808 25502 7798 1 11 . 1 1 71 71 ASN N N 71 112.340 112.340 117.605 -5.265 25502 7799 1 11 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.748 -0.153 25502 7800 1 11 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.430 -1.270 25502 7801 1 11 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.789 -1.082 25502 7802 1 11 . 1 1 71 71 ASN H H 71 7.519 7.519 8.264 -0.745 25502 7803 1 11 . 1 1 72 72 GLY N N 72 110.239 110.239 109.501 0.738 25502 7804 1 11 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.976 -1.403 25502 7805 1 11 . 1 1 72 72 GLY H H 72 9.619 9.619 7.999 1.620 25502 7806 1 11 . 1 1 73 73 THR N N 73 111.802 111.802 115.333 -3.531 25502 7807 1 11 . 1 1 73 73 THR HA H 73 4.487 4.487 4.072 0.415 25502 7808 1 11 . 1 1 73 73 THR CA C 73 62.070 62.070 62.514 -0.444 25502 7809 1 11 . 1 1 73 73 THR CB C 73 40.762 40.762 69.088 -28.326 25502 7810 1 11 . 1 1 73 73 THR H H 73 7.930 7.930 7.907 0.023 25502 7811 1 11 . 1 1 74 74 GLY N N 74 113.668 113.668 110.041 3.627 25502 7812 1 11 . 1 1 74 74 GLY CA C 74 44.908 44.908 45.193 -0.285 25502 7813 1 11 . 1 1 74 74 GLY H H 74 8.669 8.669 7.505 1.164 25502 7814 1 11 . 1 1 75 75 GLY N N 75 108.813 108.813 107.806 1.007 25502 7815 1 11 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.254 -1.217 25502 7816 1 11 . 1 1 75 75 GLY H H 75 8.066 8.066 8.117 -0.051 25502 7817 1 11 . 1 1 76 76 LYS N N 76 115.526 115.526 120.163 -4.637 25502 7818 1 11 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.610 -0.025 25502 7819 1 11 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.606 0.101 25502 7820 1 11 . 1 1 76 76 LYS CB C 76 34.515 34.515 33.956 0.559 25502 7821 1 11 . 1 1 76 76 LYS H H 76 6.981 6.981 8.101 -1.120 25502 7822 1 11 . 1 1 77 77 SER N N 77 114.105 114.105 115.194 -1.089 25502 7823 1 11 . 1 1 77 77 SER HA H 77 5.185 5.185 4.532 0.653 25502 7824 1 11 . 1 1 77 77 SER CA C 77 56.816 56.816 58.041 -1.225 25502 7825 1 11 . 1 1 77 77 SER CB C 77 38.963 38.963 63.113 -24.150 25502 7826 1 11 . 1 1 78 78 ILE N N 78 110.963 110.963 114.086 -3.123 25502 7827 1 11 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.757 0.413 25502 7828 1 11 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.923 0.594 25502 7829 1 11 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.549 0.759 25502 7830 1 11 . 1 1 78 78 ILE H H 78 8.557 8.557 7.242 1.315 25502 7831 1 11 . 1 1 79 79 TYR N N 79 120.472 120.472 113.836 6.636 25502 7832 1 11 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.677 -0.010 25502 7833 1 11 . 1 1 79 79 TYR CA C 79 56.147 56.147 55.918 0.229 25502 7834 1 11 . 1 1 79 79 TYR CB C 79 38.725 38.725 38.991 -0.266 25502 7835 1 11 . 1 1 79 79 TYR H H 79 8.007 8.007 7.125 0.882 25502 7836 1 11 . 1 1 80 80 GLY N N 80 106.402 106.402 109.128 -2.726 25502 7837 1 11 . 1 1 80 80 GLY CA C 80 43.748 43.748 44.805 -1.057 25502 7838 1 11 . 1 1 80 80 GLY H H 80 7.115 7.115 7.603 -0.488 25502 7839 1 11 . 1 1 81 81 GLU N N 81 122.838 122.838 119.943 2.895 25502 7840 1 11 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.005 -0.059 25502 7841 1 11 . 1 1 81 81 GLU CA C 81 60.138 60.138 59.175 0.963 25502 7842 1 11 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.862 0.246 25502 7843 1 11 . 1 1 81 81 GLU H H 81 8.878 8.878 8.784 0.094 25502 7844 1 11 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.842 0.683 25502 7845 1 11 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.658 -1.883 25502 7846 1 11 . 1 1 82 82 LYS CB C 82 36.311 36.311 34.677 1.634 25502 7847 1 11 . 1 1 82 82 LYS H H 82 7.799 7.799 7.539 0.260 25502 7848 1 11 . 1 1 83 83 PHE N N 83 116.432 116.432 116.692 -0.260 25502 7849 1 11 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.994 -0.049 25502 7850 1 11 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.542 0.195 25502 7851 1 11 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.282 0.012 25502 7852 1 11 . 1 1 83 83 PHE H H 83 9.147 9.147 8.133 1.014 25502 7853 1 11 . 1 1 84 84 GLU N N 84 119.352 119.352 119.712 -0.360 25502 7854 1 11 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.207 -0.405 25502 7855 1 11 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.572 0.625 25502 7856 1 11 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.708 -1.603 25502 7857 1 11 . 1 1 84 84 GLU H H 84 9.252 9.252 8.434 0.818 25502 7858 1 11 . 1 1 85 85 ASP N N 85 118.583 118.583 122.548 -3.965 25502 7859 1 11 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.288 -0.062 25502 7860 1 11 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.642 -1.668 25502 7861 1 11 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.993 -1.208 25502 7862 1 11 . 1 1 85 85 ASP H H 85 8.593 8.593 8.304 0.289 25502 7863 1 11 . 1 1 86 86 GLU N N 86 131.488 131.488 124.658 6.830 25502 7864 1 11 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.238 -0.443 25502 7865 1 11 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.616 2.657 25502 7866 1 11 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.023 0.617 25502 7867 1 11 . 1 1 86 86 GLU H H 86 9.461 9.461 8.753 0.708 25502 7868 1 11 . 1 1 87 87 ASN N N 87 106.549 106.549 112.703 -6.154 25502 7869 1 11 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.939 0.191 25502 7870 1 11 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.781 0.808 25502 7871 1 11 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.983 -0.634 25502 7872 1 11 . 1 1 87 87 ASN H H 87 7.044 7.044 7.648 -0.604 25502 7873 1 11 . 1 1 88 88 PHE N N 88 112.731 112.731 114.346 -1.615 25502 7874 1 11 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.947 0.980 25502 7875 1 11 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.221 -0.533 25502 7876 1 11 . 1 1 88 88 PHE CB C 88 38.820 38.820 39.004 -0.184 25502 7877 1 11 . 1 1 88 88 PHE H H 88 8.319 8.319 8.026 0.293 25502 7878 1 11 . 1 1 89 89 ILE N N 89 119.556 119.556 120.816 -1.260 25502 7879 1 11 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.832 -0.180 25502 7880 1 11 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.966 0.921 25502 7881 1 11 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.585 1.354 25502 7882 1 11 . 1 1 89 89 ILE H H 89 8.302 8.302 7.915 0.387 25502 7883 1 11 . 1 1 90 90 LEU N N 90 116.951 116.951 121.131 -4.180 25502 7884 1 11 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.326 0.130 25502 7885 1 11 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.511 0.673 25502 7886 1 11 . 1 1 90 90 LEU CB C 90 41.910 41.910 41.368 0.542 25502 7887 1 11 . 1 1 90 90 LEU H H 90 7.746 7.746 7.827 -0.081 25502 7888 1 11 . 1 1 91 91 LYS N N 91 118.722 118.722 123.071 -4.349 25502 7889 1 11 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.354 0.274 25502 7890 1 11 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.050 -0.735 25502 7891 1 11 . 1 1 91 91 LYS CB C 91 34.550 34.550 34.038 0.512 25502 7892 1 11 . 1 1 91 91 LYS H H 91 8.057 8.057 8.264 -0.207 25502 7893 1 11 . 1 1 92 92 HIS N N 92 122.221 122.221 120.829 1.392 25502 7894 1 11 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.309 0.033 25502 7895 1 11 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.906 -0.149 25502 7896 1 11 . 1 1 92 92 HIS CB C 92 25.895 25.895 29.008 -3.113 25502 7897 1 11 . 1 1 92 92 HIS H H 92 10.706 10.706 8.184 2.522 25502 7898 1 11 . 1 1 93 93 THR N N 93 110.178 110.178 115.180 -5.002 25502 7899 1 11 . 1 1 93 93 THR HA H 93 4.004 4.004 4.441 -0.437 25502 7900 1 11 . 1 1 93 93 THR CA C 93 63.018 63.018 61.324 1.694 25502 7901 1 11 . 1 1 93 93 THR CB C 93 69.341 69.341 68.956 0.385 25502 7902 1 11 . 1 1 93 93 THR H H 93 7.261 7.261 8.069 -0.808 25502 7903 1 11 . 1 1 94 94 GLY N N 94 106.990 106.990 109.832 -2.842 25502 7904 1 11 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.300 1.154 25502 7905 1 11 . 1 1 94 94 GLY H H 94 7.489 7.489 7.389 0.100 25502 7906 1 11 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.218 -0.414 25502 7907 1 11 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.837 -0.298 25502 7908 1 11 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.268 29.684 25502 7909 1 11 . 1 1 96 96 GLY N N 96 109.908 109.908 107.776 2.132 25502 7910 1 11 . 1 1 96 96 GLY CA C 96 44.829 44.829 46.003 -1.174 25502 7911 1 11 . 1 1 96 96 GLY H H 96 9.271 9.271 8.536 0.735 25502 7912 1 11 . 1 1 97 97 ILE N N 97 121.176 121.176 120.385 0.791 25502 7913 1 11 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.347 -0.232 25502 7914 1 11 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.801 -0.490 25502 7915 1 11 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.049 -0.291 25502 7916 1 11 . 1 1 97 97 ILE H H 97 6.765 6.765 7.496 -0.731 25502 7917 1 11 . 1 1 98 98 LEU N N 98 128.477 128.477 127.698 0.779 25502 7918 1 11 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.727 0.271 25502 7919 1 11 . 1 1 98 98 LEU CA C 98 53.233 53.233 54.014 -0.781 25502 7920 1 11 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.885 -1.260 25502 7921 1 11 . 1 1 98 98 LEU H H 98 7.872 7.872 8.187 -0.315 25502 7922 1 11 . 1 1 99 99 SER N N 99 118.325 118.325 114.493 3.832 25502 7923 1 11 . 1 1 99 99 SER HA H 99 5.316 5.316 4.831 0.485 25502 7924 1 11 . 1 1 99 99 SER CA C 99 54.909 54.909 57.086 -2.177 25502 7925 1 11 . 1 1 99 99 SER CB C 99 65.380 65.380 65.642 -0.262 25502 7926 1 11 . 1 1 99 99 SER H H 99 8.285 8.285 8.354 -0.069 25502 7927 1 11 . 1 1 100 100 MET N N 100 122.826 122.826 121.079 1.747 25502 7928 1 11 . 1 1 100 100 MET HA H 100 5.259 5.259 4.591 0.668 25502 7929 1 11 . 1 1 100 100 MET CA C 100 53.800 53.800 54.136 -0.336 25502 7930 1 11 . 1 1 100 100 MET CB C 100 30.960 30.960 32.485 -1.525 25502 7931 1 11 . 1 1 100 100 MET H H 100 8.544 8.544 8.295 0.249 25502 7932 1 11 . 1 1 101 101 ALA N N 101 125.971 125.971 127.819 -1.848 25502 7933 1 11 . 1 1 101 101 ALA HA H 101 4.276 4.276 3.677 0.599 25502 7934 1 11 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.578 -0.080 25502 7935 1 11 . 1 1 101 101 ALA CB C 101 19.403 19.403 16.901 2.502 25502 7936 1 11 . 1 1 101 101 ALA H H 101 7.999 7.999 8.307 -0.308 25502 7937 1 11 . 1 1 102 102 ASN N N 102 113.207 113.207 119.944 -6.737 25502 7938 1 11 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.815 -0.239 25502 7939 1 11 . 1 1 102 102 ASN CA C 102 53.841 53.841 52.006 1.835 25502 7940 1 11 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.910 0.470 25502 7941 1 11 . 1 1 102 102 ASN H H 102 8.097 8.097 7.817 0.280 25502 7942 1 11 . 1 1 103 103 ALA N N 103 123.056 123.056 122.512 0.544 25502 7943 1 11 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.374 0.411 25502 7944 1 11 . 1 1 103 103 ALA CA C 103 50.154 50.154 51.701 -1.547 25502 7945 1 11 . 1 1 103 103 ALA CB C 103 19.029 19.029 16.627 2.402 25502 7946 1 11 . 1 1 103 103 ALA H H 103 8.787 8.787 8.137 0.650 25502 7947 1 11 . 1 1 104 104 GLY N N 104 108.942 108.942 109.945 -1.003 25502 7948 1 11 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.473 -2.064 25502 7949 1 11 . 1 1 104 104 GLY H H 104 8.111 8.111 8.627 -0.516 25502 7950 1 11 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.366 -0.039 25502 7951 1 11 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.221 0.662 25502 7952 1 11 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.865 1.037 25502 7953 1 11 . 1 1 106 106 ASN N N 106 118.866 118.866 121.452 -2.586 25502 7954 1 11 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.283 -0.286 25502 7955 1 11 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.262 -0.159 25502 7956 1 11 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.244 -0.252 25502 7957 1 11 . 1 1 106 106 ASN H H 106 8.866 8.866 8.434 0.432 25502 7958 1 11 . 1 1 107 107 THR N N 107 109.971 109.971 106.493 3.478 25502 7959 1 11 . 1 1 107 107 THR HA H 107 4.434 4.434 3.810 0.624 25502 7960 1 11 . 1 1 107 107 THR CA C 107 60.040 60.040 63.856 -3.816 25502 7961 1 11 . 1 1 107 107 THR CB C 107 39.196 39.196 67.931 -28.735 25502 7962 1 11 . 1 1 107 107 THR H H 107 10.165 10.165 8.356 1.809 25502 7963 1 11 . 1 1 108 108 ASN N N 108 120.251 120.251 118.704 1.547 25502 7964 1 11 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.938 -0.723 25502 7965 1 11 . 1 1 108 108 ASN CA C 108 55.448 55.448 51.913 3.535 25502 7966 1 11 . 1 1 108 108 ASN CB C 108 39.600 39.600 40.087 -0.486 25502 7967 1 11 . 1 1 108 108 ASN H H 108 7.349 7.349 7.302 0.047 25502 7968 1 11 . 1 1 109 109 GLY N N 109 110.632 110.632 108.208 2.424 25502 7969 1 11 . 1 1 109 109 GLY CA C 109 46.039 46.039 44.802 1.237 25502 7970 1 11 . 1 1 109 109 GLY H H 109 9.188 9.188 8.485 0.703 25502 7971 1 11 . 1 1 110 110 SER N N 110 116.806 116.806 114.760 2.046 25502 7972 1 11 . 1 1 110 110 SER HA H 110 4.698 4.698 4.031 0.667 25502 7973 1 11 . 1 1 110 110 SER CA C 110 57.454 57.454 59.066 -1.612 25502 7974 1 11 . 1 1 110 110 SER CB C 110 65.964 65.964 62.416 3.548 25502 7975 1 11 . 1 1 110 110 SER H H 110 8.738 8.738 8.737 0.001 25502 7976 1 11 . 1 1 111 111 GLN N N 111 124.263 124.263 117.888 6.375 25502 7977 1 11 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.274 0.894 25502 7978 1 11 . 1 1 111 111 GLN CA C 111 57.494 57.494 57.039 0.455 25502 7979 1 11 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.359 2.273 25502 7980 1 11 . 1 1 111 111 GLN H H 111 8.388 8.388 8.156 0.232 25502 7981 1 11 . 1 1 112 112 PHE N N 112 117.560 117.560 113.568 3.992 25502 7982 1 11 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.553 1.161 25502 7983 1 11 . 1 1 112 112 PHE CA C 112 55.447 55.447 56.277 -0.830 25502 7984 1 11 . 1 1 112 112 PHE CB C 112 43.000 43.000 41.372 1.628 25502 7985 1 11 . 1 1 112 112 PHE H H 112 8.058 8.058 7.926 0.132 25502 7986 1 11 . 1 1 113 113 PHE N N 113 116.199 116.199 117.191 -0.992 25502 7987 1 11 . 1 1 113 113 PHE HA H 113 5.670 5.670 3.956 1.714 25502 7988 1 11 . 1 1 113 113 PHE CA C 113 54.437 54.437 54.753 -0.316 25502 7989 1 11 . 1 1 113 113 PHE CB C 113 42.617 42.617 37.849 4.768 25502 7990 1 11 . 1 1 113 113 PHE H H 113 9.795 9.795 8.353 1.442 25502 7991 1 11 . 1 1 114 114 ILE N N 114 118.391 118.391 122.214 -3.823 25502 7992 1 11 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.834 0.960 25502 7993 1 11 . 1 1 114 114 ILE CA C 114 60.060 60.060 62.847 -2.787 25502 7994 1 11 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.194 2.967 25502 7995 1 11 . 1 1 114 114 ILE H H 114 9.098 9.098 8.180 0.918 25502 7996 1 11 . 1 1 115 115 CYS N N 115 125.271 125.271 128.923 -3.652 25502 7997 1 11 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.324 0.428 25502 7998 1 11 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.244 2.428 25502 7999 1 11 . 1 1 115 115 CYS CB C 115 58.569 58.569 28.083 30.486 25502 8000 1 11 . 1 1 115 115 CYS H H 115 9.597 9.597 8.256 1.341 25502 8001 1 11 . 1 1 116 116 THR N N 116 115.478 115.478 114.770 0.708 25502 8002 1 11 . 1 1 116 116 THR HA H 116 4.324 4.324 4.319 0.005 25502 8003 1 11 . 1 1 116 116 THR CA C 116 60.720 60.720 60.943 -0.223 25502 8004 1 11 . 1 1 116 116 THR CB C 116 66.502 66.502 68.615 -2.112 25502 8005 1 11 . 1 1 116 116 THR H H 116 8.947 8.947 8.148 0.799 25502 8006 1 11 . 1 1 117 117 ALA N N 117 121.996 121.996 122.071 -0.075 25502 8007 1 11 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.315 0.043 25502 8008 1 11 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.790 -1.279 25502 8009 1 11 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.225 1.383 25502 8010 1 11 . 1 1 117 117 ALA H H 117 7.602 7.602 7.202 0.400 25502 8011 1 11 . 1 1 118 118 LYS N N 118 119.550 119.550 122.204 -2.654 25502 8012 1 11 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.902 -0.123 25502 8013 1 11 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.154 0.511 25502 8014 1 11 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.488 1.011 25502 8015 1 11 . 1 1 118 118 LYS H H 118 8.690 8.690 8.482 0.208 25502 8016 1 11 . 1 1 119 119 THR N N 119 118.759 118.759 117.309 1.450 25502 8017 1 11 . 1 1 119 119 THR HA H 119 3.623 3.623 1.805 1.818 25502 8018 1 11 . 1 1 119 119 THR CA C 119 57.088 57.088 58.374 -1.286 25502 8019 1 11 . 1 1 119 119 THR H H 119 7.328 7.328 7.622 -0.294 25502 8020 1 11 . 1 1 120 120 GLU N N 120 124.407 124.407 121.965 2.442 25502 8021 1 11 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.935 0.185 25502 8022 1 11 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.433 0.639 25502 8023 1 11 . 1 1 120 120 GLU H H 120 9.092 9.092 7.223 1.869 25502 8024 1 11 . 1 1 121 121 TRP N N 121 117.495 117.495 119.178 -1.683 25502 8025 1 11 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.407 0.246 25502 8026 1 11 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.050 1.411 25502 8027 1 11 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.340 -1.589 25502 8028 1 11 . 1 1 121 121 TRP H H 121 7.251 7.251 7.450 -0.199 25502 8029 1 11 . 1 1 122 122 LEU N N 122 119.528 119.528 119.571 -0.043 25502 8030 1 11 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.006 0.245 25502 8031 1 11 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.893 -2.393 25502 8032 1 11 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.570 -2.671 25502 8033 1 11 . 1 1 122 122 LEU H H 122 7.019 7.019 6.817 0.202 25502 8034 1 11 . 1 1 123 123 ASP N N 123 121.832 121.832 117.228 4.604 25502 8035 1 11 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.335 0.830 25502 8036 1 11 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.149 0.707 25502 8037 1 11 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.079 -0.707 25502 8038 1 11 . 1 1 123 123 ASP H H 123 7.607 7.607 7.905 -0.298 25502 8039 1 11 . 1 1 124 124 GLY N N 124 110.836 110.836 106.397 4.439 25502 8040 1 11 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.814 -0.791 25502 8041 1 11 . 1 1 124 124 GLY H H 124 9.522 9.522 8.634 0.888 25502 8042 1 11 . 1 1 125 125 LYS N N 125 115.016 115.016 118.285 -3.269 25502 8043 1 11 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.073 0.036 25502 8044 1 11 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.926 -0.678 25502 8045 1 11 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.608 2.781 25502 8046 1 11 . 1 1 125 125 LYS H H 125 7.727 7.727 8.393 -0.666 25502 8047 1 11 . 1 1 126 126 HIS N N 126 119.223 119.223 114.403 4.820 25502 8048 1 11 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.913 -0.114 25502 8049 1 11 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.408 0.151 25502 8050 1 11 . 1 1 126 126 HIS H H 126 7.571 7.571 7.674 -0.103 25502 8051 1 11 . 1 1 127 127 VAL N N 127 124.730 124.730 120.861 3.869 25502 8052 1 11 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.372 -0.114 25502 8053 1 11 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.070 2.577 25502 8054 1 11 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.399 0.017 25502 8055 1 11 . 1 1 127 127 VAL H H 127 8.474 8.474 8.656 -0.182 25502 8056 1 11 . 1 1 128 128 VAL N N 128 132.814 132.814 127.988 4.826 25502 8057 1 11 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.340 -0.190 25502 8058 1 11 . 1 1 128 128 VAL CB C 128 31.369 31.369 31.869 -0.500 25502 8059 1 11 . 1 1 128 128 VAL H H 128 9.470 9.470 8.772 0.698 25502 8060 1 11 . 1 1 129 129 PHE N N 129 117.478 117.478 121.048 -3.570 25502 8061 1 11 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.024 0.229 25502 8062 1 11 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.074 -0.167 25502 8063 1 11 . 1 1 129 129 PHE CB C 129 42.456 42.456 40.062 2.393 25502 8064 1 11 . 1 1 129 129 PHE H H 129 8.086 8.086 7.869 0.217 25502 8065 1 11 . 1 1 130 130 GLY N N 130 110.497 110.497 108.067 2.430 25502 8066 1 11 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.273 1.121 25502 8067 1 11 . 1 1 130 130 GLY H H 130 7.297 7.297 7.460 -0.163 25502 8068 1 11 . 1 1 131 131 LYS N N 131 115.059 115.059 118.223 -3.164 25502 8069 1 11 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.879 0.328 25502 8070 1 11 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.412 -0.617 25502 8071 1 11 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.679 0.173 25502 8072 1 11 . 1 1 131 131 LYS H H 131 8.353 8.353 8.183 0.170 25502 8073 1 11 . 1 1 132 132 VAL N N 132 123.802 123.802 125.869 -2.067 25502 8074 1 11 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.842 0.046 25502 8075 1 11 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.998 -1.051 25502 8076 1 11 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.476 2.071 25502 8077 1 11 . 1 1 132 132 VAL H H 132 9.015 9.015 8.858 0.157 25502 8078 1 11 . 1 1 133 133 LYS N N 133 131.324 131.324 127.931 3.393 25502 8079 1 11 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.126 0.298 25502 8080 1 11 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.129 -0.470 25502 8081 1 11 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.371 0.496 25502 8082 1 11 . 1 1 133 133 LYS H H 133 9.469 9.469 8.737 0.732 25502 8083 1 11 . 1 1 134 134 GLU N N 134 118.178 118.178 116.321 1.857 25502 8084 1 11 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.375 0.183 25502 8085 1 11 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.749 -0.601 25502 8086 1 11 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.510 0.226 25502 8087 1 11 . 1 1 134 134 GLU H H 134 7.543 7.543 7.581 -0.038 25502 8088 1 11 . 1 1 135 135 GLY N N 135 107.767 107.767 109.942 -2.175 25502 8089 1 11 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.074 0.793 25502 8090 1 11 . 1 1 135 135 GLY H H 135 8.693 8.693 8.710 -0.017 25502 8091 1 11 . 1 1 136 136 MET N N 136 122.307 122.307 118.974 3.333 25502 8092 1 11 . 1 1 136 136 MET HA H 136 4.437 4.437 4.074 0.363 25502 8093 1 11 . 1 1 136 136 MET CA C 136 56.659 56.659 56.675 -0.016 25502 8094 1 11 . 1 1 136 136 MET CB C 136 30.025 30.025 31.709 -1.684 25502 8095 1 11 . 1 1 136 136 MET H H 136 8.790 8.790 8.521 0.269 25502 8096 1 11 . 1 1 137 137 ASN N N 137 114.221 114.221 117.416 -3.195 25502 8097 1 11 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.442 0.008 25502 8098 1 11 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.763 0.163 25502 8099 1 11 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.475 -1.658 25502 8100 1 11 . 1 1 137 137 ASN H H 137 8.849 8.849 8.553 0.296 25502 8101 1 11 . 1 1 138 138 ILE N N 138 123.949 123.949 119.801 4.148 25502 8102 1 11 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.927 -0.177 25502 8103 1 11 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.726 -2.395 25502 8104 1 11 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.703 -2.362 25502 8105 1 11 . 1 1 138 138 ILE H H 138 7.642 7.642 8.166 -0.524 25502 8106 1 11 . 1 1 139 139 VAL N N 139 121.654 121.654 119.248 2.406 25502 8107 1 11 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.707 0.137 25502 8108 1 11 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.125 -0.094 25502 8109 1 11 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.741 0.235 25502 8110 1 11 . 1 1 139 139 VAL H H 139 7.244 7.244 7.403 -0.159 25502 8111 1 11 . 1 1 140 140 GLU N N 140 117.078 117.078 119.023 -1.945 25502 8112 1 11 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.172 -0.129 25502 8113 1 11 . 1 1 140 140 GLU CA C 140 59.162 59.162 59.170 -0.008 25502 8114 1 11 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.520 -0.101 25502 8115 1 11 . 1 1 140 140 GLU H H 140 8.291 8.291 7.635 0.656 25502 8116 1 11 . 1 1 141 141 ALA N N 141 120.813 120.813 122.156 -1.343 25502 8117 1 11 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.144 -0.083 25502 8118 1 11 . 1 1 141 141 ALA CA C 141 54.729 54.729 55.000 -0.271 25502 8119 1 11 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.611 -0.595 25502 8120 1 11 . 1 1 141 141 ALA H H 141 7.495 7.495 7.225 0.270 25502 8121 1 11 . 1 1 142 142 MET N N 142 117.301 117.301 118.085 -0.784 25502 8122 1 11 . 1 1 142 142 MET HA H 142 3.938 3.938 4.323 -0.385 25502 8123 1 11 . 1 1 142 142 MET CA C 142 59.610 59.610 59.183 0.427 25502 8124 1 11 . 1 1 142 142 MET CB C 142 33.678 33.678 32.307 1.371 25502 8125 1 11 . 1 1 142 142 MET H H 142 8.259 8.259 8.030 0.229 25502 8126 1 11 . 1 1 143 143 GLU N N 143 116.052 116.052 118.623 -2.571 25502 8127 1 11 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.037 -0.321 25502 8128 1 11 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.473 -0.291 25502 8129 1 11 . 1 1 143 143 GLU CB C 143 30.271 30.271 29.369 0.902 25502 8130 1 11 . 1 1 143 143 GLU H H 143 7.832 7.832 8.003 -0.171 25502 8131 1 11 . 1 1 144 144 ARG N N 144 114.357 114.357 119.702 -5.345 25502 8132 1 11 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.059 -0.137 25502 8133 1 11 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.543 -0.001 25502 8134 1 11 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.869 -0.566 25502 8135 1 11 . 1 1 144 144 ARG H H 144 7.034 7.034 7.599 -0.565 25502 8136 1 11 . 1 1 145 145 PHE N N 145 115.146 115.146 119.089 -3.943 25502 8137 1 11 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.637 0.156 25502 8138 1 11 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.357 0.257 25502 8139 1 11 . 1 1 145 145 PHE CB C 145 38.913 38.913 38.870 0.043 25502 8140 1 11 . 1 1 145 145 PHE H H 145 7.624 7.624 7.681 -0.057 25502 8141 1 11 . 1 1 146 146 GLY N N 146 104.498 104.498 107.247 -2.749 25502 8142 1 11 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.723 0.426 25502 8143 1 11 . 1 1 146 146 GLY H H 146 7.514 7.514 7.382 0.132 25502 8144 1 11 . 1 1 147 147 SER N N 147 109.815 109.815 114.531 -4.716 25502 8145 1 11 . 1 1 147 147 SER HA H 147 4.755 4.755 4.701 0.054 25502 8146 1 11 . 1 1 147 147 SER CA C 147 58.033 58.033 56.052 1.981 25502 8147 1 11 . 1 1 147 147 SER H H 147 8.190 8.190 8.362 -0.172 25502 8148 1 11 . 1 1 148 148 ARG N N 148 119.789 119.789 126.726 -6.937 25502 8149 1 11 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.284 -0.117 25502 8150 1 11 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.787 2.704 25502 8151 1 11 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.568 2.094 25502 8152 1 11 . 1 1 148 148 ARG H H 148 8.795 8.795 8.831 -0.036 25502 8153 1 11 . 1 1 149 149 ASN N N 149 111.378 111.378 116.517 -5.139 25502 8154 1 11 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.670 0.164 25502 8155 1 11 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.513 -1.393 25502 8156 1 11 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.677 -1.436 25502 8157 1 11 . 1 1 149 149 ASN H H 149 7.841 7.841 8.485 -0.644 25502 8158 1 11 . 1 1 150 150 GLY N N 150 109.893 109.893 107.300 2.593 25502 8159 1 11 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.310 -0.413 25502 8160 1 11 . 1 1 150 150 GLY H H 150 8.040 8.040 7.732 0.308 25502 8161 1 11 . 1 1 151 151 LYS N N 151 119.608 119.608 123.040 -3.432 25502 8162 1 11 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.387 0.018 25502 8163 1 11 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.331 -0.286 25502 8164 1 11 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.518 -1.249 25502 8165 1 11 . 1 1 151 151 LYS H H 151 7.525 7.525 7.955 -0.430 25502 8166 1 11 . 1 1 152 152 THR N N 152 116.317 116.317 111.860 4.457 25502 8167 1 11 . 1 1 152 152 THR HA H 152 5.532 5.532 4.775 0.757 25502 8168 1 11 . 1 1 152 152 THR CA C 152 59.953 59.953 60.256 -0.303 25502 8169 1 11 . 1 1 152 152 THR CB C 152 71.108 71.108 71.494 -0.386 25502 8170 1 11 . 1 1 152 152 THR H H 152 8.823 8.823 8.489 0.334 25502 8171 1 11 . 1 1 153 153 SER N N 153 116.804 116.804 117.978 -1.174 25502 8172 1 11 . 1 1 153 153 SER HA H 153 4.456 4.456 4.481 -0.025 25502 8173 1 11 . 1 1 153 153 SER CA C 153 58.712 58.712 60.907 -2.195 25502 8174 1 11 . 1 1 153 153 SER CB C 153 63.477 63.477 63.681 -0.204 25502 8175 1 11 . 1 1 153 153 SER H H 153 9.412 9.412 8.982 0.430 25502 8176 1 11 . 1 1 154 154 LYS N N 154 119.068 119.068 120.110 -1.042 25502 8177 1 11 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.471 0.062 25502 8178 1 11 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.302 -0.902 25502 8179 1 11 . 1 1 154 154 LYS CB C 154 38.406 38.406 34.185 4.221 25502 8180 1 11 . 1 1 154 154 LYS H H 154 7.527 7.527 8.072 -0.545 25502 8181 1 11 . 1 1 155 155 LYS N N 155 121.541 121.541 121.734 -0.193 25502 8182 1 11 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.616 -0.303 25502 8183 1 11 . 1 1 155 155 LYS CA C 155 56.147 56.147 54.937 1.210 25502 8184 1 11 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.541 -0.553 25502 8185 1 11 . 1 1 155 155 LYS H H 155 8.791 8.791 8.464 0.327 25502 8186 1 11 . 1 1 156 156 ILE N N 156 133.980 133.980 129.147 4.833 25502 8187 1 11 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.174 -0.081 25502 8188 1 11 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.799 -1.535 25502 8189 1 11 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.497 -1.657 25502 8190 1 11 . 1 1 156 156 ILE H H 156 9.606 9.606 8.969 0.637 25502 8191 1 11 . 1 1 157 157 THR N N 157 116.977 116.977 119.442 -2.465 25502 8192 1 11 . 1 1 157 157 THR HA H 157 5.274 5.274 4.990 0.284 25502 8193 1 11 . 1 1 157 157 THR CA C 157 59.475 59.475 59.591 -0.116 25502 8194 1 11 . 1 1 157 157 THR CB C 157 72.475 72.475 71.997 0.478 25502 8195 1 11 . 1 1 157 157 THR H H 157 9.233 9.233 8.977 0.256 25502 8196 1 11 . 1 1 158 158 ILE N N 158 121.529 121.529 121.950 -0.421 25502 8197 1 11 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.124 -0.882 25502 8198 1 11 . 1 1 158 158 ILE CA C 158 60.868 60.868 58.815 2.053 25502 8199 1 11 . 1 1 158 158 ILE CB C 158 36.790 36.790 37.421 -0.631 25502 8200 1 11 . 1 1 158 158 ILE H H 158 8.580 8.580 8.069 0.511 25502 8201 1 11 . 1 1 159 159 ALA N N 159 132.313 132.313 131.072 1.241 25502 8202 1 11 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.231 -0.107 25502 8203 1 11 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.810 0.263 25502 8204 1 11 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.748 -0.735 25502 8205 1 11 . 1 1 159 159 ALA H H 159 8.873 8.873 8.795 0.078 25502 8206 1 11 . 1 1 160 160 ASP N N 160 111.257 111.257 116.104 -4.847 25502 8207 1 11 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.684 0.206 25502 8208 1 11 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.848 -1.209 25502 8209 1 11 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.364 0.223 25502 8210 1 11 . 1 1 160 160 ASP H H 160 8.066 8.066 7.932 0.134 25502 8211 1 11 . 1 1 161 161 CYS N N 161 115.837 115.837 117.516 -1.679 25502 8212 1 11 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.326 1.218 25502 8213 1 11 . 1 1 161 161 CYS CA C 161 55.148 55.148 54.637 0.511 25502 8214 1 11 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.499 0.638 25502 8215 1 11 . 1 1 161 161 CYS H H 161 8.591 8.591 8.232 0.359 25502 8216 1 11 . 1 1 162 162 GLY N N 162 103.888 103.888 107.297 -3.409 25502 8217 1 11 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.813 0.536 25502 8218 1 11 . 1 1 162 162 GLY H H 162 6.844 6.844 6.525 0.319 25502 8219 1 11 . 1 1 163 163 GLN N N 163 120.718 120.718 120.573 0.145 25502 8220 1 11 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.550 0.519 25502 8221 1 11 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.856 -2.047 25502 8222 1 11 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.307 1.283 25502 8223 1 11 . 1 1 163 163 GLN H H 163 9.066 9.066 8.460 0.606 25502 8224 1 11 . 1 1 164 164 LEU N N 164 125.816 125.816 126.579 -0.763 25502 8225 1 11 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.420 0.187 25502 8226 1 11 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.063 -1.324 25502 8227 1 11 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.044 1.317 25502 8228 1 11 . 1 1 164 164 LEU H H 164 8.593 8.593 9.075 -0.482 25502 8229 1 12 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.232 -0.056 25502 8230 1 12 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.048 -0.556 25502 8231 1 12 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.880 -0.754 25502 8232 1 12 . 1 1 3 3 ASN N N 3 126.515 126.515 122.587 3.928 25502 8233 1 12 . 1 1 3 3 ASN HA H 3 5.137 5.137 4.826 0.311 25502 8234 1 12 . 1 1 3 3 ASN CA C 3 51.008 51.008 52.459 -1.451 25502 8235 1 12 . 1 1 3 3 ASN CB C 3 37.799 37.799 38.446 -0.646 25502 8236 1 12 . 1 1 3 3 ASN H H 3 8.600 8.600 8.272 0.328 25502 8237 1 12 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.439 0.314 25502 8238 1 12 . 1 1 4 4 PRO CA C 4 62.669 62.669 63.186 -0.517 25502 8239 1 12 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.508 0.630 25502 8240 1 12 . 1 1 5 5 THR N N 5 114.826 114.826 115.269 -0.443 25502 8241 1 12 . 1 1 5 5 THR HA H 5 5.716 5.716 4.839 0.877 25502 8242 1 12 . 1 1 5 5 THR CA C 5 60.698 60.698 61.008 -0.310 25502 8243 1 12 . 1 1 5 5 THR CB C 5 41.142 41.142 71.804 -30.662 25502 8244 1 12 . 1 1 5 5 THR H H 5 8.771 8.771 8.046 0.725 25502 8245 1 12 . 1 1 6 6 VAL N N 6 120.113 120.113 122.389 -2.276 25502 8246 1 12 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.459 -0.120 25502 8247 1 12 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.057 -0.260 25502 8248 1 12 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.379 0.756 25502 8249 1 12 . 1 1 6 6 VAL H H 6 8.741 8.741 8.124 0.617 25502 8250 1 12 . 1 1 7 7 PHE N N 7 118.968 118.968 123.007 -4.039 25502 8251 1 12 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.111 0.784 25502 8252 1 12 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.985 -0.297 25502 8253 1 12 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.101 1.942 25502 8254 1 12 . 1 1 7 7 PHE H H 7 8.954 8.954 8.259 0.695 25502 8255 1 12 . 1 1 8 8 PHE N N 8 116.774 116.774 120.449 -3.675 25502 8256 1 12 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.939 0.378 25502 8257 1 12 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.114 -3.691 25502 8258 1 12 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.262 1.608 25502 8259 1 12 . 1 1 8 8 PHE H H 8 9.540 9.540 8.632 0.908 25502 8260 1 12 . 1 1 9 9 ASP N N 9 123.959 123.959 126.456 -2.497 25502 8261 1 12 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.936 0.597 25502 8262 1 12 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.345 -0.580 25502 8263 1 12 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.703 -0.390 25502 8264 1 12 . 1 1 9 9 ASP H H 9 9.266 9.266 9.161 0.105 25502 8265 1 12 . 1 1 10 10 ILE N N 10 124.122 124.122 126.176 -2.054 25502 8266 1 12 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.479 0.694 25502 8267 1 12 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.211 -2.052 25502 8268 1 12 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.240 0.463 25502 8269 1 12 . 1 1 10 10 ILE H H 10 9.030 9.030 7.927 1.103 25502 8270 1 12 . 1 1 11 11 ALA N N 11 132.244 132.244 131.426 0.818 25502 8271 1 12 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.902 0.263 25502 8272 1 12 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.362 0.302 25502 8273 1 12 . 1 1 11 11 ALA CB C 11 52.561 52.561 21.421 31.140 25502 8274 1 12 . 1 1 11 11 ALA H H 11 9.603 9.603 9.293 0.310 25502 8275 1 12 . 1 1 12 12 VAL N N 12 118.199 118.199 125.483 -7.284 25502 8276 1 12 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.644 -0.133 25502 8277 1 12 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.289 -0.863 25502 8278 1 12 . 1 1 12 12 VAL CB C 12 33.181 33.181 31.900 1.281 25502 8279 1 12 . 1 1 12 12 VAL H H 12 8.943 8.943 8.638 0.305 25502 8280 1 12 . 1 1 13 13 ASP N N 13 130.748 130.748 128.608 2.140 25502 8281 1 12 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.306 0.014 25502 8282 1 12 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.497 0.329 25502 8283 1 12 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.003 -0.168 25502 8284 1 12 . 1 1 13 13 ASP H H 13 9.846 9.846 8.997 0.849 25502 8285 1 12 . 1 1 14 14 GLY N N 14 101.493 101.493 103.609 -2.116 25502 8286 1 12 . 1 1 14 14 GLY CA C 14 45.082 45.082 45.330 -0.248 25502 8287 1 12 . 1 1 14 14 GLY H H 14 8.558 8.558 8.768 -0.210 25502 8288 1 12 . 1 1 15 15 GLU N N 15 123.014 123.014 120.779 2.235 25502 8289 1 12 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.733 0.103 25502 8290 1 12 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.391 0.362 25502 8291 1 12 . 1 1 15 15 GLU CB C 15 30.236 30.236 29.598 0.638 25502 8292 1 12 . 1 1 15 15 GLU H H 15 8.046 8.046 7.593 0.453 25502 8293 1 12 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.909 -0.733 25502 8294 1 12 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.717 1.829 25502 8295 1 12 . 1 1 16 16 PRO CB C 16 62.111 62.111 31.782 30.329 25502 8296 1 12 . 1 1 17 17 LEU N N 17 125.784 125.784 124.902 0.882 25502 8297 1 12 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.148 0.539 25502 8298 1 12 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.426 -1.078 25502 8299 1 12 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.228 1.929 25502 8300 1 12 . 1 1 17 17 LEU H H 17 9.189 9.189 8.246 0.943 25502 8301 1 12 . 1 1 18 18 GLY N N 18 102.200 102.200 104.175 -1.975 25502 8302 1 12 . 1 1 18 18 GLY CA C 18 44.969 44.969 45.061 -0.092 25502 8303 1 12 . 1 1 18 18 GLY H H 18 7.256 7.256 7.416 -0.160 25502 8304 1 12 . 1 1 19 19 ARG N N 19 120.995 120.995 120.584 0.411 25502 8305 1 12 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.697 0.925 25502 8306 1 12 . 1 1 19 19 ARG CA C 19 55.015 55.015 54.542 0.473 25502 8307 1 12 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.246 0.094 25502 8308 1 12 . 1 1 19 19 ARG H H 19 8.320 8.320 8.264 0.056 25502 8309 1 12 . 1 1 20 20 VAL N N 20 126.616 126.616 120.951 5.665 25502 8310 1 12 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.805 -0.202 25502 8311 1 12 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.350 -1.409 25502 8312 1 12 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.265 1.618 25502 8313 1 12 . 1 1 20 20 VAL H H 20 9.364 9.364 7.816 1.548 25502 8314 1 12 . 1 1 21 21 SER N N 21 120.061 120.061 120.731 -0.670 25502 8315 1 12 . 1 1 21 21 SER HA H 21 5.515 5.515 4.970 0.545 25502 8316 1 12 . 1 1 21 21 SER CA C 21 55.317 55.317 56.512 -1.195 25502 8317 1 12 . 1 1 21 21 SER CB C 21 36.773 36.773 65.361 -28.588 25502 8318 1 12 . 1 1 21 21 SER H H 21 8.768 8.768 7.912 0.856 25502 8319 1 12 . 1 1 22 22 PHE N N 22 118.878 118.878 117.705 1.173 25502 8320 1 12 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.042 0.195 25502 8321 1 12 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.831 -1.143 25502 8322 1 12 . 1 1 22 22 PHE CB C 22 42.574 42.574 41.987 0.587 25502 8323 1 12 . 1 1 22 22 PHE H H 22 9.508 9.508 8.600 0.908 25502 8324 1 12 . 1 1 23 23 GLU N N 23 122.926 122.926 124.237 -1.311 25502 8325 1 12 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.330 0.419 25502 8326 1 12 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.477 -0.527 25502 8327 1 12 . 1 1 23 23 GLU CB C 23 31.629 31.629 29.835 1.794 25502 8328 1 12 . 1 1 23 23 GLU H H 23 8.740 8.740 8.995 -0.255 25502 8329 1 12 . 1 1 24 24 LEU N N 24 122.262 122.262 127.881 -5.619 25502 8330 1 12 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.586 0.111 25502 8331 1 12 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.136 -2.585 25502 8332 1 12 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.549 0.571 25502 8333 1 12 . 1 1 24 24 LEU H H 24 8.185 8.185 7.893 0.292 25502 8334 1 12 . 1 1 25 25 PHE N N 25 124.423 124.423 124.785 -0.362 25502 8335 1 12 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.614 0.494 25502 8336 1 12 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.258 -2.968 25502 8337 1 12 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.499 -0.539 25502 8338 1 12 . 1 1 25 25 PHE H H 25 8.815 8.815 9.279 -0.464 25502 8339 1 12 . 1 1 26 26 ALA N N 26 128.683 128.683 125.841 2.842 25502 8340 1 12 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.335 -0.564 25502 8341 1 12 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.368 -0.082 25502 8342 1 12 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.386 0.239 25502 8343 1 12 . 1 1 26 26 ALA H H 26 8.433 8.433 8.148 0.285 25502 8344 1 12 . 1 1 27 27 ASP N N 27 114.069 114.069 117.777 -3.708 25502 8345 1 12 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.562 -0.319 25502 8346 1 12 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.404 -1.076 25502 8347 1 12 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.212 -2.357 25502 8348 1 12 . 1 1 27 27 ASP H H 27 9.052 9.052 8.558 0.494 25502 8349 1 12 . 1 1 28 28 LYS N N 28 117.763 117.763 117.060 0.703 25502 8350 1 12 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.464 0.107 25502 8351 1 12 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.941 -0.709 25502 8352 1 12 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.875 1.047 25502 8353 1 12 . 1 1 28 28 LYS H H 28 7.545 7.545 8.047 -0.502 25502 8354 1 12 . 1 1 29 29 VAL N N 29 114.212 114.212 114.972 -0.760 25502 8355 1 12 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.583 -0.132 25502 8356 1 12 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.937 -0.848 25502 8357 1 12 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.546 0.199 25502 8358 1 12 . 1 1 29 29 VAL H H 29 8.368 8.368 8.239 0.129 25502 8359 1 12 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.247 0.148 25502 8360 1 12 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.533 0.550 25502 8361 1 12 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.238 -0.934 25502 8362 1 12 . 1 1 31 31 LYS N N 31 123.500 123.500 117.305 6.195 25502 8363 1 12 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.121 -0.114 25502 8364 1 12 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.337 1.019 25502 8365 1 12 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.376 0.903 25502 8366 1 12 . 1 1 31 31 LYS H H 31 10.663 10.663 8.660 2.003 25502 8367 1 12 . 1 1 32 32 THR N N 32 123.707 123.707 113.014 10.693 25502 8368 1 12 . 1 1 32 32 THR HA H 32 3.988 3.988 3.647 0.341 25502 8369 1 12 . 1 1 32 32 THR CA C 32 37.678 37.678 64.738 -27.060 25502 8370 1 12 . 1 1 32 32 THR CB C 32 38.883 38.883 68.411 -29.528 25502 8371 1 12 . 1 1 32 32 THR H H 32 10.283 10.283 7.250 3.033 25502 8372 1 12 . 1 1 33 33 ALA N N 33 125.366 125.366 124.849 0.517 25502 8373 1 12 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.390 -0.353 25502 8374 1 12 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.553 0.314 25502 8375 1 12 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.378 -0.143 25502 8376 1 12 . 1 1 33 33 ALA H H 33 9.281 9.281 8.487 0.794 25502 8377 1 12 . 1 1 34 34 GLU N N 34 117.040 117.040 118.119 -1.079 25502 8378 1 12 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.888 0.621 25502 8379 1 12 . 1 1 34 34 GLU CA C 34 57.886 57.886 60.349 -2.463 25502 8380 1 12 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.489 28.414 25502 8381 1 12 . 1 1 34 34 GLU H H 34 8.027 8.027 8.597 -0.570 25502 8382 1 12 . 1 1 35 35 ASN N N 35 115.398 115.398 118.091 -2.693 25502 8383 1 12 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.532 -0.478 25502 8384 1 12 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.273 0.358 25502 8385 1 12 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.316 1.149 25502 8386 1 12 . 1 1 35 35 ASN H H 35 7.139 7.139 7.423 -0.284 25502 8387 1 12 . 1 1 36 36 PHE N N 36 117.607 117.607 121.154 -3.547 25502 8388 1 12 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.272 -0.163 25502 8389 1 12 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.667 0.724 25502 8390 1 12 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.125 0.888 25502 8391 1 12 . 1 1 36 36 PHE H H 36 7.012 7.012 7.734 -0.722 25502 8392 1 12 . 1 1 37 37 ARG N N 37 120.804 120.804 119.971 0.833 25502 8393 1 12 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.894 -0.262 25502 8394 1 12 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.690 0.691 25502 8395 1 12 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.289 -0.429 25502 8396 1 12 . 1 1 37 37 ARG H H 37 8.935 8.935 8.952 -0.017 25502 8397 1 12 . 1 1 38 38 ALA N N 38 118.869 118.869 122.580 -3.711 25502 8398 1 12 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.200 -0.131 25502 8399 1 12 . 1 1 38 38 ALA CA C 38 54.340 54.340 54.974 -0.634 25502 8400 1 12 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.343 -0.107 25502 8401 1 12 . 1 1 38 38 ALA H H 38 8.687 8.687 8.297 0.390 25502 8402 1 12 . 1 1 39 39 LEU N N 39 120.488 120.488 119.094 1.394 25502 8403 1 12 . 1 1 39 39 LEU HA H 39 3.744 3.744 4.299 -0.555 25502 8404 1 12 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.179 -0.064 25502 8405 1 12 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.090 -1.064 25502 8406 1 12 . 1 1 39 39 LEU H H 39 8.173 8.173 8.206 -0.033 25502 8407 1 12 . 1 1 40 40 SER N N 40 118.952 118.952 114.382 4.570 25502 8408 1 12 . 1 1 40 40 SER HA H 40 4.444 4.444 3.963 0.481 25502 8409 1 12 . 1 1 40 40 SER CA C 40 62.334 62.334 61.495 0.839 25502 8410 1 12 . 1 1 40 40 SER CB C 40 62.884 62.884 62.541 0.343 25502 8411 1 12 . 1 1 40 40 SER H H 40 7.900 7.900 8.189 -0.289 25502 8412 1 12 . 1 1 41 41 THR N N 41 108.208 108.208 110.287 -2.079 25502 8413 1 12 . 1 1 41 41 THR HA H 41 4.288 4.288 4.112 0.176 25502 8414 1 12 . 1 1 41 41 THR CA C 41 62.810 62.810 64.370 -1.560 25502 8415 1 12 . 1 1 41 41 THR CB C 41 69.221 69.221 69.177 0.044 25502 8416 1 12 . 1 1 41 41 THR H H 41 7.974 7.974 8.261 -0.287 25502 8417 1 12 . 1 1 42 42 GLY N N 42 108.122 108.122 110.424 -2.302 25502 8418 1 12 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.925 -0.168 25502 8419 1 12 . 1 1 42 42 GLY H H 42 7.582 7.582 7.774 -0.192 25502 8420 1 12 . 1 1 43 43 GLU N N 43 118.454 118.454 119.941 -1.487 25502 8421 1 12 . 1 1 43 43 GLU HA H 43 4.120 4.120 4.233 -0.113 25502 8422 1 12 . 1 1 43 43 GLU CA C 43 58.357 58.357 57.695 0.662 25502 8423 1 12 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.547 0.394 25502 8424 1 12 . 1 1 43 43 GLU H H 43 8.009 8.009 7.797 0.212 25502 8425 1 12 . 1 1 44 44 LYS N N 44 118.055 118.055 120.046 -1.991 25502 8426 1 12 . 1 1 44 44 LYS HA H 44 4.281 4.281 4.294 -0.013 25502 8427 1 12 . 1 1 44 44 LYS CA C 44 54.120 54.120 54.699 -0.579 25502 8428 1 12 . 1 1 44 44 LYS CB C 44 30.296 30.296 31.709 -1.413 25502 8429 1 12 . 1 1 44 44 LYS H H 44 9.102 9.102 7.475 1.627 25502 8430 1 12 . 1 1 45 45 GLY N N 45 105.305 105.305 106.570 -1.265 25502 8431 1 12 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.857 -1.326 25502 8432 1 12 . 1 1 45 45 GLY H H 45 7.939 7.939 7.931 0.008 25502 8433 1 12 . 1 1 46 46 PHE N N 46 113.461 113.461 113.949 -0.488 25502 8434 1 12 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.611 0.013 25502 8435 1 12 . 1 1 46 46 PHE CA C 46 53.881 53.881 56.180 -2.299 25502 8436 1 12 . 1 1 46 46 PHE CB C 46 39.468 39.468 38.725 0.743 25502 8437 1 12 . 1 1 46 46 PHE H H 46 6.413 6.413 7.424 -1.011 25502 8438 1 12 . 1 1 47 47 GLY N N 47 104.416 104.416 107.232 -2.816 25502 8439 1 12 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.906 0.552 25502 8440 1 12 . 1 1 47 47 GLY H H 47 7.686 7.686 8.505 -0.819 25502 8441 1 12 . 1 1 48 48 TYR N N 48 113.530 113.530 120.665 -7.135 25502 8442 1 12 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.609 -0.401 25502 8443 1 12 . 1 1 48 48 TYR CA C 48 57.039 57.039 57.424 -0.385 25502 8444 1 12 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.115 -0.696 25502 8445 1 12 . 1 1 48 48 TYR H H 48 6.887 6.887 8.393 -1.506 25502 8446 1 12 . 1 1 49 49 LYS N N 49 124.631 124.631 123.607 1.024 25502 8447 1 12 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.351 -0.756 25502 8448 1 12 . 1 1 49 49 LYS CA C 49 60.882 60.882 55.597 5.285 25502 8449 1 12 . 1 1 49 49 LYS CB C 49 31.168 31.168 30.521 0.647 25502 8450 1 12 . 1 1 49 49 LYS H H 49 8.474 8.474 8.190 0.284 25502 8451 1 12 . 1 1 50 50 GLY N N 50 117.591 117.591 107.412 10.179 25502 8452 1 12 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.297 -0.256 25502 8453 1 12 . 1 1 50 50 GLY H H 50 9.482 9.482 7.881 1.601 25502 8454 1 12 . 1 1 51 51 SER N N 51 116.156 116.156 116.499 -0.343 25502 8455 1 12 . 1 1 51 51 SER HA H 51 4.658 4.658 5.013 -0.355 25502 8456 1 12 . 1 1 51 51 SER CA C 51 58.682 58.682 56.483 2.200 25502 8457 1 12 . 1 1 51 51 SER CB C 51 64.607 64.607 64.399 0.208 25502 8458 1 12 . 1 1 51 51 SER H H 51 8.397 8.397 8.237 0.160 25502 8459 1 12 . 1 1 52 52 CYS N N 52 114.800 114.800 124.893 -10.093 25502 8460 1 12 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.318 0.577 25502 8461 1 12 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.465 -0.500 25502 8462 1 12 . 1 1 52 52 CYS CB C 52 31.719 31.719 27.962 3.757 25502 8463 1 12 . 1 1 52 52 CYS H H 52 9.858 9.858 8.965 0.893 25502 8464 1 12 . 1 1 53 53 PHE N N 53 122.839 122.839 125.131 -2.292 25502 8465 1 12 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.560 0.293 25502 8466 1 12 . 1 1 53 53 PHE CA C 53 58.083 58.083 58.263 -0.180 25502 8467 1 12 . 1 1 53 53 PHE CB C 53 38.728 38.728 38.989 -0.261 25502 8468 1 12 . 1 1 53 53 PHE H H 53 8.702 8.702 8.453 0.249 25502 8469 1 12 . 1 1 54 54 HIS N N 54 119.944 119.944 120.049 -0.105 25502 8470 1 12 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.822 -0.116 25502 8471 1 12 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.183 1.802 25502 8472 1 12 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.298 1.046 25502 8473 1 12 . 1 1 54 54 HIS H H 54 7.623 7.623 8.704 -1.081 25502 8474 1 12 . 1 1 55 55 ARG N N 55 122.758 122.758 120.429 2.329 25502 8475 1 12 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.502 0.597 25502 8476 1 12 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.384 -1.681 25502 8477 1 12 . 1 1 55 55 ARG CB C 55 33.771 33.771 31.408 2.363 25502 8478 1 12 . 1 1 55 55 ARG H H 55 7.031 7.031 7.534 -0.503 25502 8479 1 12 . 1 1 56 56 ILE N N 56 126.170 126.170 125.564 0.606 25502 8480 1 12 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.475 0.114 25502 8481 1 12 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.458 0.993 25502 8482 1 12 . 1 1 56 56 ILE CB C 56 41.632 41.632 42.251 -0.619 25502 8483 1 12 . 1 1 56 56 ILE H H 56 9.166 9.166 8.791 0.375 25502 8484 1 12 . 1 1 57 57 ILE N N 57 127.731 127.731 127.052 0.679 25502 8485 1 12 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.618 0.579 25502 8486 1 12 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.867 -0.253 25502 8487 1 12 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.771 0.244 25502 8488 1 12 . 1 1 57 57 ILE H H 57 8.718 8.718 8.203 0.515 25502 8489 1 12 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.556 -0.232 25502 8490 1 12 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.017 -0.067 25502 8491 1 12 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.934 1.977 25502 8492 1 12 . 1 1 59 59 GLY N N 59 113.877 113.877 109.577 4.300 25502 8493 1 12 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.652 -0.474 25502 8494 1 12 . 1 1 59 59 GLY H H 59 9.679 9.679 8.319 1.360 25502 8495 1 12 . 1 1 60 60 PHE N N 60 118.955 118.955 122.806 -3.851 25502 8496 1 12 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.928 0.165 25502 8497 1 12 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.275 -1.530 25502 8498 1 12 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.041 -3.348 25502 8499 1 12 . 1 1 60 60 PHE H H 60 8.095 8.095 7.881 0.214 25502 8500 1 12 . 1 1 61 61 MET N N 61 110.963 110.963 110.548 0.415 25502 8501 1 12 . 1 1 61 61 MET HA H 61 5.311 5.311 5.047 0.264 25502 8502 1 12 . 1 1 61 61 MET CA C 61 54.802 54.802 55.258 -0.456 25502 8503 1 12 . 1 1 61 61 MET CB C 61 34.892 34.892 33.746 1.146 25502 8504 1 12 . 1 1 61 61 MET H H 61 8.088 8.088 7.740 0.348 25502 8505 1 12 . 1 1 62 62 CYS N N 62 114.627 114.627 120.539 -5.912 25502 8506 1 12 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.722 0.151 25502 8507 1 12 . 1 1 62 62 CYS CA C 62 57.335 57.335 58.693 -1.358 25502 8508 1 12 . 1 1 62 62 CYS CB C 62 60.060 60.060 29.616 30.444 25502 8509 1 12 . 1 1 62 62 CYS H H 62 8.474 8.474 8.409 0.065 25502 8510 1 12 . 1 1 63 63 GLN N N 63 126.463 126.463 119.900 6.563 25502 8511 1 12 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.863 0.513 25502 8512 1 12 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.911 -1.387 25502 8513 1 12 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.003 -1.603 25502 8514 1 12 . 1 1 63 63 GLN H H 63 9.651 9.651 8.527 1.124 25502 8515 1 12 . 1 1 64 64 GLY N N 64 110.531 110.531 108.915 1.616 25502 8516 1 12 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.130 -0.730 25502 8517 1 12 . 1 1 64 64 GLY H H 64 7.352 7.352 7.538 -0.186 25502 8518 1 12 . 1 1 65 65 GLY N N 65 105.572 105.572 109.984 -4.412 25502 8519 1 12 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.920 1.504 25502 8520 1 12 . 1 1 65 65 GLY H H 65 9.292 9.292 7.903 1.389 25502 8521 1 12 . 1 1 66 66 ASP N N 66 123.656 123.656 123.023 0.633 25502 8522 1 12 . 1 1 66 66 ASP HA H 66 4.290 4.290 5.049 -0.759 25502 8523 1 12 . 1 1 66 66 ASP CA C 66 51.505 51.505 54.545 -3.040 25502 8524 1 12 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.850 -4.148 25502 8525 1 12 . 1 1 66 66 ASP H H 66 9.910 9.910 8.110 1.800 25502 8526 1 12 . 1 1 67 67 PHE N N 67 115.914 115.914 121.446 -5.532 25502 8527 1 12 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.877 -0.280 25502 8528 1 12 . 1 1 67 67 PHE CA C 67 55.784 55.784 57.225 -1.441 25502 8529 1 12 . 1 1 67 67 PHE CB C 67 39.357 39.357 41.789 -2.432 25502 8530 1 12 . 1 1 67 67 PHE H H 67 6.624 6.624 8.231 -1.607 25502 8531 1 12 . 1 1 68 68 THR N N 68 108.853 108.853 113.887 -5.034 25502 8532 1 12 . 1 1 68 68 THR HA H 68 4.638 4.638 4.141 0.497 25502 8533 1 12 . 1 1 68 68 THR CA C 68 61.621 61.621 61.539 0.082 25502 8534 1 12 . 1 1 68 68 THR CB C 68 68.789 68.789 70.129 -1.340 25502 8535 1 12 . 1 1 68 68 THR H H 68 7.320 7.320 8.129 -0.809 25502 8536 1 12 . 1 1 69 69 ARG N N 69 121.780 121.780 125.508 -3.728 25502 8537 1 12 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.237 0.125 25502 8538 1 12 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.503 -1.475 25502 8539 1 12 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.672 30.861 25502 8540 1 12 . 1 1 69 69 ARG H H 69 8.655 8.655 8.369 0.286 25502 8541 1 12 . 1 1 70 70 HIS N N 70 112.009 112.009 117.075 -5.066 25502 8542 1 12 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.695 -0.297 25502 8543 1 12 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.001 1.134 25502 8544 1 12 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.806 28.628 25502 8545 1 12 . 1 1 70 70 HIS H H 70 6.838 6.838 8.401 -1.563 25502 8546 1 12 . 1 1 71 71 ASN N N 71 112.340 112.340 117.715 -5.375 25502 8547 1 12 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.774 -0.179 25502 8548 1 12 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.703 -1.543 25502 8549 1 12 . 1 1 71 71 ASN CB C 71 38.707 38.707 40.223 -1.516 25502 8550 1 12 . 1 1 71 71 ASN H H 71 7.519 7.519 8.346 -0.827 25502 8551 1 12 . 1 1 72 72 GLY N N 72 110.239 110.239 108.627 1.612 25502 8552 1 12 . 1 1 72 72 GLY CA C 72 44.573 44.573 44.929 -0.356 25502 8553 1 12 . 1 1 72 72 GLY H H 72 9.619 9.619 8.080 1.539 25502 8554 1 12 . 1 1 73 73 THR N N 73 111.802 111.802 110.481 1.321 25502 8555 1 12 . 1 1 73 73 THR HA H 73 4.487 4.487 4.485 0.002 25502 8556 1 12 . 1 1 73 73 THR CA C 73 62.070 62.070 61.439 0.631 25502 8557 1 12 . 1 1 73 73 THR CB C 73 40.762 40.762 69.731 -28.969 25502 8558 1 12 . 1 1 73 73 THR H H 73 7.930 7.930 7.866 0.064 25502 8559 1 12 . 1 1 74 74 GLY N N 74 113.668 113.668 108.979 4.689 25502 8560 1 12 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.410 0.498 25502 8561 1 12 . 1 1 74 74 GLY H H 74 8.669 8.669 7.416 1.253 25502 8562 1 12 . 1 1 75 75 GLY N N 75 108.813 108.813 105.358 3.455 25502 8563 1 12 . 1 1 75 75 GLY CA C 75 43.037 43.037 45.594 -2.557 25502 8564 1 12 . 1 1 75 75 GLY H H 75 8.066 8.066 6.723 1.343 25502 8565 1 12 . 1 1 76 76 LYS N N 76 115.526 115.526 117.405 -1.879 25502 8566 1 12 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.562 0.023 25502 8567 1 12 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.249 1.458 25502 8568 1 12 . 1 1 76 76 LYS CB C 76 34.515 34.515 35.200 -0.685 25502 8569 1 12 . 1 1 76 76 LYS H H 76 6.981 6.981 7.490 -0.509 25502 8570 1 12 . 1 1 77 77 SER N N 77 114.105 114.105 115.584 -1.479 25502 8571 1 12 . 1 1 77 77 SER HA H 77 5.185 5.185 4.525 0.660 25502 8572 1 12 . 1 1 77 77 SER CA C 77 56.816 56.816 58.819 -2.003 25502 8573 1 12 . 1 1 77 77 SER CB C 77 38.963 38.963 63.685 -24.723 25502 8574 1 12 . 1 1 78 78 ILE N N 78 110.963 110.963 113.774 -2.811 25502 8575 1 12 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.373 -0.203 25502 8576 1 12 . 1 1 78 78 ILE CA C 78 63.517 63.517 60.984 2.533 25502 8577 1 12 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.225 0.083 25502 8578 1 12 . 1 1 78 78 ILE H H 78 8.557 8.557 8.287 0.270 25502 8579 1 12 . 1 1 79 79 TYR N N 79 120.472 120.472 119.538 0.934 25502 8580 1 12 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.570 0.097 25502 8581 1 12 . 1 1 79 79 TYR CA C 79 56.147 56.147 59.399 -3.252 25502 8582 1 12 . 1 1 79 79 TYR CB C 79 38.725 38.725 40.771 -2.046 25502 8583 1 12 . 1 1 79 79 TYR H H 79 8.007 8.007 7.433 0.574 25502 8584 1 12 . 1 1 80 80 GLY N N 80 106.402 106.402 103.610 2.792 25502 8585 1 12 . 1 1 80 80 GLY CA C 80 43.748 43.748 46.368 -2.620 25502 8586 1 12 . 1 1 80 80 GLY H H 80 7.115 7.115 7.976 -0.861 25502 8587 1 12 . 1 1 81 81 GLU N N 81 122.838 122.838 118.209 4.629 25502 8588 1 12 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.558 -0.612 25502 8589 1 12 . 1 1 81 81 GLU CA C 81 60.138 60.138 56.971 3.167 25502 8590 1 12 . 1 1 81 81 GLU CB C 81 30.108 30.108 32.156 -2.048 25502 8591 1 12 . 1 1 81 81 GLU H H 81 8.878 8.878 8.689 0.189 25502 8592 1 12 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.001 1.524 25502 8593 1 12 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.681 -1.905 25502 8594 1 12 . 1 1 82 82 LYS CB C 82 36.311 36.311 32.511 3.800 25502 8595 1 12 . 1 1 82 82 LYS H H 82 7.799 7.799 7.600 0.199 25502 8596 1 12 . 1 1 83 83 PHE N N 83 116.432 116.432 117.309 -0.877 25502 8597 1 12 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.996 -0.051 25502 8598 1 12 . 1 1 83 83 PHE CA C 83 55.737 55.737 56.088 -0.351 25502 8599 1 12 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.129 0.165 25502 8600 1 12 . 1 1 83 83 PHE H H 83 9.147 9.147 8.341 0.806 25502 8601 1 12 . 1 1 84 84 GLU N N 84 119.352 119.352 118.386 0.966 25502 8602 1 12 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.476 -0.674 25502 8603 1 12 . 1 1 84 84 GLU CA C 84 56.197 56.197 54.584 1.613 25502 8604 1 12 . 1 1 84 84 GLU CB C 84 29.105 29.105 32.203 -3.098 25502 8605 1 12 . 1 1 84 84 GLU H H 84 9.252 9.252 8.562 0.690 25502 8606 1 12 . 1 1 85 85 ASP N N 85 118.583 118.583 121.171 -2.588 25502 8607 1 12 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.401 -0.175 25502 8608 1 12 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.312 -1.338 25502 8609 1 12 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.127 -0.342 25502 8610 1 12 . 1 1 85 85 ASP H H 85 8.593 8.593 8.641 -0.048 25502 8611 1 12 . 1 1 86 86 GLU N N 86 131.488 131.488 125.973 5.515 25502 8612 1 12 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.077 -0.282 25502 8613 1 12 . 1 1 86 86 GLU CA C 86 60.273 60.273 58.201 2.072 25502 8614 1 12 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.420 1.219 25502 8615 1 12 . 1 1 86 86 GLU H H 86 9.461 9.461 8.593 0.868 25502 8616 1 12 . 1 1 87 87 ASN N N 87 106.549 106.549 111.276 -4.727 25502 8617 1 12 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.970 0.160 25502 8618 1 12 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.090 0.499 25502 8619 1 12 . 1 1 87 87 ASN CB C 87 39.349 39.349 38.760 0.589 25502 8620 1 12 . 1 1 87 87 ASN H H 87 7.044 7.044 7.346 -0.302 25502 8621 1 12 . 1 1 88 88 PHE N N 88 112.731 112.731 115.428 -2.697 25502 8622 1 12 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.896 1.031 25502 8623 1 12 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.382 -0.694 25502 8624 1 12 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.686 0.134 25502 8625 1 12 . 1 1 88 88 PHE H H 88 8.319 8.319 8.110 0.209 25502 8626 1 12 . 1 1 89 89 ILE N N 89 119.556 119.556 121.311 -1.755 25502 8627 1 12 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.830 -0.178 25502 8628 1 12 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.861 1.026 25502 8629 1 12 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.607 1.332 25502 8630 1 12 . 1 1 89 89 ILE H H 89 8.302 8.302 7.916 0.386 25502 8631 1 12 . 1 1 90 90 LEU N N 90 116.951 116.951 119.333 -2.382 25502 8632 1 12 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.341 0.115 25502 8633 1 12 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.260 0.925 25502 8634 1 12 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.512 1.398 25502 8635 1 12 . 1 1 90 90 LEU H H 90 7.746 7.746 7.803 -0.057 25502 8636 1 12 . 1 1 91 91 LYS N N 91 118.722 118.722 120.330 -1.608 25502 8637 1 12 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.008 0.621 25502 8638 1 12 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.722 -1.407 25502 8639 1 12 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.726 0.824 25502 8640 1 12 . 1 1 91 91 LYS H H 91 8.057 8.057 7.788 0.269 25502 8641 1 12 . 1 1 92 92 HIS N N 92 122.221 122.221 119.046 3.175 25502 8642 1 12 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.415 -0.073 25502 8643 1 12 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.206 0.550 25502 8644 1 12 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.256 -1.361 25502 8645 1 12 . 1 1 92 92 HIS H H 92 10.706 10.706 8.353 2.353 25502 8646 1 12 . 1 1 93 93 THR N N 93 110.178 110.178 112.266 -2.088 25502 8647 1 12 . 1 1 93 93 THR HA H 93 4.004 4.004 4.383 -0.379 25502 8648 1 12 . 1 1 93 93 THR CA C 93 63.018 63.018 60.962 2.056 25502 8649 1 12 . 1 1 93 93 THR CB C 93 69.341 69.341 69.527 -0.186 25502 8650 1 12 . 1 1 93 93 THR H H 93 7.261 7.261 7.711 -0.450 25502 8651 1 12 . 1 1 94 94 GLY N N 94 106.990 106.990 108.594 -1.604 25502 8652 1 12 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.149 1.305 25502 8653 1 12 . 1 1 94 94 GLY H H 94 7.489 7.489 7.310 0.179 25502 8654 1 12 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.674 -0.870 25502 8655 1 12 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.597 -0.058 25502 8656 1 12 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.581 29.371 25502 8657 1 12 . 1 1 96 96 GLY N N 96 109.908 109.908 108.160 1.748 25502 8658 1 12 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.618 -0.789 25502 8659 1 12 . 1 1 96 96 GLY H H 96 9.271 9.271 8.520 0.751 25502 8660 1 12 . 1 1 97 97 ILE N N 97 121.176 121.176 120.001 1.175 25502 8661 1 12 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.428 -0.313 25502 8662 1 12 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.176 0.135 25502 8663 1 12 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.913 -1.155 25502 8664 1 12 . 1 1 97 97 ILE H H 97 6.765 6.765 7.326 -0.561 25502 8665 1 12 . 1 1 98 98 LEU N N 98 128.477 128.477 126.203 2.274 25502 8666 1 12 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.899 0.100 25502 8667 1 12 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.311 -0.078 25502 8668 1 12 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.595 -0.970 25502 8669 1 12 . 1 1 98 98 LEU H H 98 7.872 7.872 8.216 -0.344 25502 8670 1 12 . 1 1 99 99 SER N N 99 118.325 118.325 114.166 4.159 25502 8671 1 12 . 1 1 99 99 SER HA H 99 5.316 5.316 4.926 0.390 25502 8672 1 12 . 1 1 99 99 SER CA C 99 54.909 54.909 57.139 -2.230 25502 8673 1 12 . 1 1 99 99 SER CB C 99 65.380 65.380 64.800 0.580 25502 8674 1 12 . 1 1 99 99 SER H H 99 8.285 8.285 8.153 0.132 25502 8675 1 12 . 1 1 100 100 MET N N 100 122.826 122.826 118.419 4.407 25502 8676 1 12 . 1 1 100 100 MET HA H 100 5.259 5.259 4.523 0.736 25502 8677 1 12 . 1 1 100 100 MET CA C 100 53.800 53.800 54.225 -0.425 25502 8678 1 12 . 1 1 100 100 MET CB C 100 30.960 30.960 36.724 -5.763 25502 8679 1 12 . 1 1 100 100 MET H H 100 8.544 8.544 8.087 0.457 25502 8680 1 12 . 1 1 101 101 ALA N N 101 125.971 125.971 122.065 3.906 25502 8681 1 12 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.645 -0.369 25502 8682 1 12 . 1 1 101 101 ALA CA C 101 51.498 51.498 50.861 0.637 25502 8683 1 12 . 1 1 101 101 ALA CB C 101 19.403 19.403 22.312 -2.909 25502 8684 1 12 . 1 1 101 101 ALA H H 101 7.999 7.999 8.255 -0.256 25502 8685 1 12 . 1 1 102 102 ASN N N 102 113.207 113.207 116.556 -3.349 25502 8686 1 12 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.747 -0.171 25502 8687 1 12 . 1 1 102 102 ASN CA C 102 53.841 53.841 54.067 -0.226 25502 8688 1 12 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.099 1.280 25502 8689 1 12 . 1 1 102 102 ASN H H 102 8.097 8.097 8.975 -0.878 25502 8690 1 12 . 1 1 103 103 ALA N N 103 123.056 123.056 121.762 1.294 25502 8691 1 12 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.620 0.165 25502 8692 1 12 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.280 -2.126 25502 8693 1 12 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.378 -0.349 25502 8694 1 12 . 1 1 103 103 ALA H H 103 8.787 8.787 8.055 0.732 25502 8695 1 12 . 1 1 104 104 GLY N N 104 108.942 108.942 109.864 -0.922 25502 8696 1 12 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.991 -1.582 25502 8697 1 12 . 1 1 104 104 GLY H H 104 8.111 8.111 8.521 -0.410 25502 8698 1 12 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.513 -0.186 25502 8699 1 12 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.473 0.410 25502 8700 1 12 . 1 1 105 105 PRO CB C 105 31.902 31.902 31.364 0.538 25502 8701 1 12 . 1 1 106 106 ASN N N 106 118.866 118.866 118.942 -0.076 25502 8702 1 12 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.441 -0.444 25502 8703 1 12 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.310 -0.207 25502 8704 1 12 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.678 -0.686 25502 8705 1 12 . 1 1 106 106 ASN H H 106 8.866 8.866 8.585 0.281 25502 8706 1 12 . 1 1 107 107 THR N N 107 109.971 109.971 105.691 4.280 25502 8707 1 12 . 1 1 107 107 THR HA H 107 4.434 4.434 3.920 0.514 25502 8708 1 12 . 1 1 107 107 THR CA C 107 60.040 60.040 63.776 -3.736 25502 8709 1 12 . 1 1 107 107 THR CB C 107 39.196 39.196 68.070 -28.873 25502 8710 1 12 . 1 1 107 107 THR H H 107 10.165 10.165 8.588 1.577 25502 8711 1 12 . 1 1 108 108 ASN N N 108 120.251 120.251 119.506 0.745 25502 8712 1 12 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.576 -0.361 25502 8713 1 12 . 1 1 108 108 ASN CA C 108 55.448 55.448 53.780 1.668 25502 8714 1 12 . 1 1 108 108 ASN CB C 108 39.600 39.600 37.115 2.485 25502 8715 1 12 . 1 1 108 108 ASN H H 108 7.349 7.349 8.306 -0.957 25502 8716 1 12 . 1 1 109 109 GLY N N 109 110.632 110.632 111.403 -0.771 25502 8717 1 12 . 1 1 109 109 GLY CA C 109 46.039 46.039 46.136 -0.097 25502 8718 1 12 . 1 1 109 109 GLY H H 109 9.188 9.188 8.205 0.983 25502 8719 1 12 . 1 1 110 110 SER N N 110 116.806 116.806 115.893 0.913 25502 8720 1 12 . 1 1 110 110 SER HA H 110 4.698 4.698 4.559 0.139 25502 8721 1 12 . 1 1 110 110 SER CA C 110 57.454 57.454 57.957 -0.503 25502 8722 1 12 . 1 1 110 110 SER CB C 110 65.964 65.964 63.859 2.105 25502 8723 1 12 . 1 1 110 110 SER H H 110 8.738 8.738 8.428 0.310 25502 8724 1 12 . 1 1 111 111 GLN N N 111 124.263 124.263 119.858 4.405 25502 8725 1 12 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.403 0.765 25502 8726 1 12 . 1 1 111 111 GLN CA C 111 57.494 57.494 53.691 3.803 25502 8727 1 12 . 1 1 111 111 GLN CB C 111 31.632 31.632 27.722 3.910 25502 8728 1 12 . 1 1 111 111 GLN H H 111 8.388 8.388 7.898 0.490 25502 8729 1 12 . 1 1 112 112 PHE N N 112 117.560 117.560 118.585 -1.025 25502 8730 1 12 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.877 1.837 25502 8731 1 12 . 1 1 112 112 PHE CA C 112 55.447 55.447 57.143 -1.696 25502 8732 1 12 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.186 3.814 25502 8733 1 12 . 1 1 112 112 PHE H H 112 8.058 8.058 6.871 1.187 25502 8734 1 12 . 1 1 113 113 PHE N N 113 116.199 116.199 113.709 2.490 25502 8735 1 12 . 1 1 113 113 PHE HA H 113 5.670 5.670 5.060 0.610 25502 8736 1 12 . 1 1 113 113 PHE CA C 113 54.437 54.437 55.897 -1.460 25502 8737 1 12 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.517 1.100 25502 8738 1 12 . 1 1 113 113 PHE H H 113 9.795 9.795 7.655 2.140 25502 8739 1 12 . 1 1 114 114 ILE N N 114 118.391 118.391 120.773 -2.382 25502 8740 1 12 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.496 0.298 25502 8741 1 12 . 1 1 114 114 ILE CA C 114 60.060 60.060 60.695 -0.635 25502 8742 1 12 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.584 1.578 25502 8743 1 12 . 1 1 114 114 ILE H H 114 9.098 9.098 8.795 0.303 25502 8744 1 12 . 1 1 115 115 CYS N N 115 125.271 125.271 127.761 -2.490 25502 8745 1 12 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.377 0.375 25502 8746 1 12 . 1 1 115 115 CYS CA C 115 60.672 60.672 60.028 0.644 25502 8747 1 12 . 1 1 115 115 CYS CB C 115 58.569 58.569 26.027 32.542 25502 8748 1 12 . 1 1 115 115 CYS H H 115 9.597 9.597 8.576 1.021 25502 8749 1 12 . 1 1 116 116 THR N N 116 115.478 115.478 115.793 -0.315 25502 8750 1 12 . 1 1 116 116 THR HA H 116 4.324 4.324 4.088 0.236 25502 8751 1 12 . 1 1 116 116 THR CA C 116 60.720 60.720 63.902 -3.182 25502 8752 1 12 . 1 1 116 116 THR CB C 116 66.502 66.502 68.914 -2.412 25502 8753 1 12 . 1 1 116 116 THR H H 116 8.947 8.947 8.463 0.484 25502 8754 1 12 . 1 1 117 117 ALA N N 117 121.996 121.996 123.516 -1.520 25502 8755 1 12 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.502 -0.144 25502 8756 1 12 . 1 1 117 117 ALA CA C 117 50.511 50.511 50.746 -0.235 25502 8757 1 12 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.435 1.173 25502 8758 1 12 . 1 1 117 117 ALA H H 117 7.602 7.602 7.399 0.203 25502 8759 1 12 . 1 1 118 118 LYS N N 118 119.550 119.550 120.746 -1.196 25502 8760 1 12 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.969 -0.190 25502 8761 1 12 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.318 0.346 25502 8762 1 12 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.423 1.076 25502 8763 1 12 . 1 1 118 118 LYS H H 118 8.690 8.690 8.506 0.184 25502 8764 1 12 . 1 1 119 119 THR N N 119 118.759 118.759 118.203 0.556 25502 8765 1 12 . 1 1 119 119 THR HA H 119 3.623 3.623 1.867 1.756 25502 8766 1 12 . 1 1 119 119 THR CA C 119 57.088 57.088 58.512 -1.424 25502 8767 1 12 . 1 1 119 119 THR H H 119 7.328 7.328 7.866 -0.538 25502 8768 1 12 . 1 1 120 120 GLU N N 120 124.407 124.407 122.061 2.346 25502 8769 1 12 . 1 1 120 120 GLU HA H 120 4.120 4.120 4.085 0.035 25502 8770 1 12 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.377 0.695 25502 8771 1 12 . 1 1 120 120 GLU H H 120 9.092 9.092 7.228 1.864 25502 8772 1 12 . 1 1 121 121 TRP N N 121 117.495 117.495 117.619 -0.124 25502 8773 1 12 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.414 0.239 25502 8774 1 12 . 1 1 121 121 TRP CA C 121 59.461 59.461 57.710 1.751 25502 8775 1 12 . 1 1 121 121 TRP CB C 121 26.750 26.750 27.704 -0.955 25502 8776 1 12 . 1 1 121 121 TRP H H 121 7.251 7.251 7.306 -0.055 25502 8777 1 12 . 1 1 122 122 LEU N N 122 119.528 119.528 118.869 0.659 25502 8778 1 12 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.038 0.213 25502 8779 1 12 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.313 -1.813 25502 8780 1 12 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.264 -2.365 25502 8781 1 12 . 1 1 122 122 LEU H H 122 7.019 7.019 6.882 0.137 25502 8782 1 12 . 1 1 123 123 ASP N N 123 121.832 121.832 116.906 4.926 25502 8783 1 12 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.328 0.837 25502 8784 1 12 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.261 0.595 25502 8785 1 12 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.024 -0.652 25502 8786 1 12 . 1 1 123 123 ASP H H 123 7.607 7.607 7.943 -0.336 25502 8787 1 12 . 1 1 124 124 GLY N N 124 110.836 110.836 106.138 4.698 25502 8788 1 12 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.885 -0.862 25502 8789 1 12 . 1 1 124 124 GLY H H 124 9.522 9.522 8.567 0.955 25502 8790 1 12 . 1 1 125 125 LYS N N 125 115.016 115.016 117.790 -2.774 25502 8791 1 12 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.101 0.008 25502 8792 1 12 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.633 -0.384 25502 8793 1 12 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.381 3.008 25502 8794 1 12 . 1 1 125 125 LYS H H 125 7.727 7.727 8.353 -0.626 25502 8795 1 12 . 1 1 126 126 HIS N N 126 119.223 119.223 113.800 5.423 25502 8796 1 12 . 1 1 126 126 HIS HA H 126 4.799 4.799 5.012 -0.213 25502 8797 1 12 . 1 1 126 126 HIS CA C 126 54.559 54.559 55.002 -0.443 25502 8798 1 12 . 1 1 126 126 HIS H H 126 7.571 7.571 7.606 -0.035 25502 8799 1 12 . 1 1 127 127 VAL N N 127 124.730 124.730 120.703 4.027 25502 8800 1 12 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.341 -0.083 25502 8801 1 12 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.185 2.462 25502 8802 1 12 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.665 -0.249 25502 8803 1 12 . 1 1 127 127 VAL H H 127 8.474 8.474 8.366 0.108 25502 8804 1 12 . 1 1 128 128 VAL N N 128 132.814 132.814 127.483 5.331 25502 8805 1 12 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.440 -0.290 25502 8806 1 12 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.872 -1.503 25502 8807 1 12 . 1 1 128 128 VAL H H 128 9.470 9.470 8.719 0.751 25502 8808 1 12 . 1 1 129 129 PHE N N 129 117.478 117.478 121.233 -3.755 25502 8809 1 12 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.888 0.365 25502 8810 1 12 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.338 -0.431 25502 8811 1 12 . 1 1 129 129 PHE CB C 129 42.456 42.456 40.104 2.352 25502 8812 1 12 . 1 1 129 129 PHE H H 129 8.086 8.086 7.804 0.282 25502 8813 1 12 . 1 1 130 130 GLY N N 130 110.497 110.497 107.743 2.754 25502 8814 1 12 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.175 1.219 25502 8815 1 12 . 1 1 130 130 GLY H H 130 7.297 7.297 7.470 -0.173 25502 8816 1 12 . 1 1 131 131 LYS N N 131 115.059 115.059 118.091 -3.032 25502 8817 1 12 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.619 0.588 25502 8818 1 12 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.183 -0.388 25502 8819 1 12 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.762 0.090 25502 8820 1 12 . 1 1 131 131 LYS H H 131 8.353 8.353 8.128 0.225 25502 8821 1 12 . 1 1 132 132 VAL N N 132 123.802 123.802 125.699 -1.897 25502 8822 1 12 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.822 0.066 25502 8823 1 12 . 1 1 132 132 VAL CA C 132 63.947 63.947 63.943 0.004 25502 8824 1 12 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.534 2.013 25502 8825 1 12 . 1 1 132 132 VAL H H 132 9.015 9.015 8.492 0.523 25502 8826 1 12 . 1 1 133 133 LYS N N 133 131.324 131.324 128.289 3.035 25502 8827 1 12 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.145 0.279 25502 8828 1 12 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.029 -0.370 25502 8829 1 12 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.585 0.282 25502 8830 1 12 . 1 1 133 133 LYS H H 133 9.469 9.469 8.756 0.713 25502 8831 1 12 . 1 1 134 134 GLU N N 134 118.178 118.178 116.474 1.704 25502 8832 1 12 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.379 0.180 25502 8833 1 12 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.922 -0.774 25502 8834 1 12 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.467 0.270 25502 8835 1 12 . 1 1 134 134 GLU H H 134 7.543 7.543 7.559 -0.016 25502 8836 1 12 . 1 1 135 135 GLY N N 135 107.767 107.767 109.345 -1.578 25502 8837 1 12 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.270 0.597 25502 8838 1 12 . 1 1 135 135 GLY H H 135 8.693 8.693 8.922 -0.229 25502 8839 1 12 . 1 1 136 136 MET N N 136 122.307 122.307 119.631 2.676 25502 8840 1 12 . 1 1 136 136 MET HA H 136 4.437 4.437 4.069 0.368 25502 8841 1 12 . 1 1 136 136 MET CA C 136 56.659 56.659 56.437 0.222 25502 8842 1 12 . 1 1 136 136 MET CB C 136 30.025 30.025 31.909 -1.884 25502 8843 1 12 . 1 1 136 136 MET H H 136 8.790 8.790 8.456 0.334 25502 8844 1 12 . 1 1 137 137 ASN N N 137 114.221 114.221 117.531 -3.310 25502 8845 1 12 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.447 0.003 25502 8846 1 12 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.802 0.124 25502 8847 1 12 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.484 -1.667 25502 8848 1 12 . 1 1 137 137 ASN H H 137 8.849 8.849 8.586 0.263 25502 8849 1 12 . 1 1 138 138 ILE N N 138 123.949 123.949 119.744 4.205 25502 8850 1 12 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.896 -0.146 25502 8851 1 12 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.183 -1.852 25502 8852 1 12 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.880 -2.540 25502 8853 1 12 . 1 1 138 138 ILE H H 138 7.642 7.642 7.825 -0.183 25502 8854 1 12 . 1 1 139 139 VAL N N 139 121.654 121.654 119.756 1.898 25502 8855 1 12 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.596 0.248 25502 8856 1 12 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.876 -0.845 25502 8857 1 12 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.229 -0.253 25502 8858 1 12 . 1 1 139 139 VAL H H 139 7.244 7.244 7.360 -0.116 25502 8859 1 12 . 1 1 140 140 GLU N N 140 117.078 117.078 118.643 -1.565 25502 8860 1 12 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.035 0.008 25502 8861 1 12 . 1 1 140 140 GLU CA C 140 59.162 59.162 59.071 0.091 25502 8862 1 12 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.533 -0.114 25502 8863 1 12 . 1 1 140 140 GLU H H 140 8.291 8.291 7.663 0.628 25502 8864 1 12 . 1 1 141 141 ALA N N 141 120.813 120.813 122.252 -1.439 25502 8865 1 12 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.106 -0.045 25502 8866 1 12 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.782 -0.053 25502 8867 1 12 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.418 -0.402 25502 8868 1 12 . 1 1 141 141 ALA H H 141 7.495 7.495 7.273 0.222 25502 8869 1 12 . 1 1 142 142 MET N N 142 117.301 117.301 117.656 -0.355 25502 8870 1 12 . 1 1 142 142 MET HA H 142 3.938 3.938 4.251 -0.313 25502 8871 1 12 . 1 1 142 142 MET CA C 142 59.610 59.610 59.224 0.386 25502 8872 1 12 . 1 1 142 142 MET CB C 142 33.678 33.678 32.201 1.477 25502 8873 1 12 . 1 1 142 142 MET H H 142 8.259 8.259 7.831 0.428 25502 8874 1 12 . 1 1 143 143 GLU N N 143 116.052 116.052 118.047 -1.995 25502 8875 1 12 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.109 -0.393 25502 8876 1 12 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.153 0.029 25502 8877 1 12 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.731 1.540 25502 8878 1 12 . 1 1 143 143 GLU H H 143 7.832 7.832 8.002 -0.170 25502 8879 1 12 . 1 1 144 144 ARG N N 144 114.357 114.357 119.250 -4.893 25502 8880 1 12 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.036 -0.114 25502 8881 1 12 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.902 -0.360 25502 8882 1 12 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.146 0.157 25502 8883 1 12 . 1 1 144 144 ARG H H 144 7.034 7.034 7.296 -0.262 25502 8884 1 12 . 1 1 145 145 PHE N N 145 115.146 115.146 116.615 -1.469 25502 8885 1 12 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.852 -0.059 25502 8886 1 12 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.761 0.853 25502 8887 1 12 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.114 -0.201 25502 8888 1 12 . 1 1 145 145 PHE H H 145 7.624 7.624 8.089 -0.465 25502 8889 1 12 . 1 1 146 146 GLY N N 146 104.498 104.498 107.286 -2.788 25502 8890 1 12 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.647 0.502 25502 8891 1 12 . 1 1 146 146 GLY H H 146 7.514 7.514 7.386 0.128 25502 8892 1 12 . 1 1 147 147 SER N N 147 109.815 109.815 114.233 -4.418 25502 8893 1 12 . 1 1 147 147 SER HA H 147 4.755 4.755 4.663 0.092 25502 8894 1 12 . 1 1 147 147 SER CA C 147 58.033 58.033 56.216 1.817 25502 8895 1 12 . 1 1 147 147 SER H H 147 8.190 8.190 8.114 0.076 25502 8896 1 12 . 1 1 148 148 ARG N N 148 119.789 119.789 127.441 -7.652 25502 8897 1 12 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.245 -0.078 25502 8898 1 12 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.843 2.648 25502 8899 1 12 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.616 2.046 25502 8900 1 12 . 1 1 148 148 ARG H H 148 8.795 8.795 8.828 -0.033 25502 8901 1 12 . 1 1 149 149 ASN N N 149 111.378 111.378 119.369 -7.991 25502 8902 1 12 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.727 0.107 25502 8903 1 12 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.273 -1.153 25502 8904 1 12 . 1 1 149 149 ASN CB C 149 38.241 38.241 40.031 -1.790 25502 8905 1 12 . 1 1 149 149 ASN H H 149 7.841 7.841 8.680 -0.839 25502 8906 1 12 . 1 1 150 150 GLY N N 150 109.893 109.893 110.098 -0.205 25502 8907 1 12 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.500 -0.603 25502 8908 1 12 . 1 1 150 150 GLY H H 150 8.040 8.040 8.019 0.021 25502 8909 1 12 . 1 1 151 151 LYS N N 151 119.608 119.608 123.121 -3.513 25502 8910 1 12 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.282 0.123 25502 8911 1 12 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.500 -0.455 25502 8912 1 12 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.050 -0.781 25502 8913 1 12 . 1 1 151 151 LYS H H 151 7.525 7.525 8.240 -0.715 25502 8914 1 12 . 1 1 152 152 THR N N 152 116.317 116.317 110.032 6.285 25502 8915 1 12 . 1 1 152 152 THR HA H 152 5.532 5.532 4.691 0.841 25502 8916 1 12 . 1 1 152 152 THR CA C 152 59.953 59.953 60.160 -0.207 25502 8917 1 12 . 1 1 152 152 THR CB C 152 71.108 71.108 71.495 -0.387 25502 8918 1 12 . 1 1 152 152 THR H H 152 8.823 8.823 8.132 0.691 25502 8919 1 12 . 1 1 153 153 SER N N 153 116.804 116.804 116.344 0.460 25502 8920 1 12 . 1 1 153 153 SER HA H 153 4.456 4.456 4.388 0.068 25502 8921 1 12 . 1 1 153 153 SER CA C 153 58.712 58.712 60.959 -2.247 25502 8922 1 12 . 1 1 153 153 SER CB C 153 63.477 63.477 63.815 -0.337 25502 8923 1 12 . 1 1 153 153 SER H H 153 9.412 9.412 8.756 0.656 25502 8924 1 12 . 1 1 154 154 LYS N N 154 119.068 119.068 120.229 -1.161 25502 8925 1 12 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.378 0.154 25502 8926 1 12 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.716 -1.316 25502 8927 1 12 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.652 4.754 25502 8928 1 12 . 1 1 154 154 LYS H H 154 7.527 7.527 7.564 -0.037 25502 8929 1 12 . 1 1 155 155 LYS N N 155 121.541 121.541 121.427 0.114 25502 8930 1 12 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.586 -0.273 25502 8931 1 12 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.093 1.054 25502 8932 1 12 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.726 -0.738 25502 8933 1 12 . 1 1 155 155 LYS H H 155 8.791 8.791 8.381 0.410 25502 8934 1 12 . 1 1 156 156 ILE N N 156 133.980 133.980 129.753 4.227 25502 8935 1 12 . 1 1 156 156 ILE HA H 156 5.093 5.093 4.946 0.147 25502 8936 1 12 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.642 -1.378 25502 8937 1 12 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.837 -0.997 25502 8938 1 12 . 1 1 156 156 ILE H H 156 9.606 9.606 9.038 0.568 25502 8939 1 12 . 1 1 157 157 THR N N 157 116.977 116.977 121.471 -4.494 25502 8940 1 12 . 1 1 157 157 THR HA H 157 5.274 5.274 5.626 -0.352 25502 8941 1 12 . 1 1 157 157 THR CA C 157 59.475 59.475 59.356 0.119 25502 8942 1 12 . 1 1 157 157 THR CB C 157 72.475 72.475 72.176 0.299 25502 8943 1 12 . 1 1 157 157 THR H H 157 9.233 9.233 9.029 0.204 25502 8944 1 12 . 1 1 158 158 ILE N N 158 121.529 121.529 122.022 -0.493 25502 8945 1 12 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.002 -0.760 25502 8946 1 12 . 1 1 158 158 ILE CA C 158 60.868 60.868 58.692 2.176 25502 8947 1 12 . 1 1 158 158 ILE CB C 158 36.790 36.790 36.338 0.452 25502 8948 1 12 . 1 1 158 158 ILE H H 158 8.580 8.580 8.579 0.001 25502 8949 1 12 . 1 1 159 159 ALA N N 159 132.313 132.313 131.537 0.776 25502 8950 1 12 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.300 -0.176 25502 8951 1 12 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.569 0.504 25502 8952 1 12 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.971 -0.958 25502 8953 1 12 . 1 1 159 159 ALA H H 159 8.873 8.873 8.558 0.315 25502 8954 1 12 . 1 1 160 160 ASP N N 160 111.257 111.257 117.028 -5.771 25502 8955 1 12 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.762 0.128 25502 8956 1 12 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.559 -0.920 25502 8957 1 12 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.571 0.016 25502 8958 1 12 . 1 1 160 160 ASP H H 160 8.066 8.066 8.077 -0.011 25502 8959 1 12 . 1 1 161 161 CYS N N 161 115.837 115.837 116.998 -1.161 25502 8960 1 12 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.477 1.067 25502 8961 1 12 . 1 1 161 161 CYS CA C 161 55.148 55.148 56.013 -0.865 25502 8962 1 12 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.126 0.011 25502 8963 1 12 . 1 1 161 161 CYS H H 161 8.591 8.591 8.281 0.310 25502 8964 1 12 . 1 1 162 162 GLY N N 162 103.888 103.888 107.653 -3.765 25502 8965 1 12 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.711 0.638 25502 8966 1 12 . 1 1 162 162 GLY H H 162 6.844 6.844 6.732 0.112 25502 8967 1 12 . 1 1 163 163 GLN N N 163 120.718 120.718 120.688 0.030 25502 8968 1 12 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.686 0.383 25502 8969 1 12 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.629 -1.820 25502 8970 1 12 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.409 1.181 25502 8971 1 12 . 1 1 163 163 GLN H H 163 9.066 9.066 8.465 0.601 25502 8972 1 12 . 1 1 164 164 LEU N N 164 125.816 125.816 126.979 -1.163 25502 8973 1 12 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.398 0.209 25502 8974 1 12 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.178 -1.439 25502 8975 1 12 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.942 1.420 25502 8976 1 12 . 1 1 164 164 LEU H H 164 8.593 8.593 9.102 -0.509 25502 8977 1 13 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.319 -0.143 25502 8978 1 13 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.509 -1.017 25502 8979 1 13 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.656 -0.530 25502 8980 1 13 . 1 1 3 3 ASN N N 3 126.515 126.515 124.797 1.718 25502 8981 1 13 . 1 1 3 3 ASN HA H 3 5.137 5.137 4.989 0.148 25502 8982 1 13 . 1 1 3 3 ASN CA C 3 51.008 51.008 50.948 0.060 25502 8983 1 13 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.005 -1.206 25502 8984 1 13 . 1 1 3 3 ASN H H 3 8.600 8.600 8.382 0.218 25502 8985 1 13 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.623 0.130 25502 8986 1 13 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.983 -0.313 25502 8987 1 13 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.838 0.300 25502 8988 1 13 . 1 1 5 5 THR N N 5 114.826 114.826 116.726 -1.900 25502 8989 1 13 . 1 1 5 5 THR HA H 5 5.716 5.716 5.102 0.614 25502 8990 1 13 . 1 1 5 5 THR CA C 5 60.698 60.698 61.321 -0.623 25502 8991 1 13 . 1 1 5 5 THR CB C 5 41.142 41.142 71.382 -30.240 25502 8992 1 13 . 1 1 5 5 THR H H 5 8.771 8.771 8.167 0.604 25502 8993 1 13 . 1 1 6 6 VAL N N 6 120.113 120.113 121.358 -1.245 25502 8994 1 13 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.214 0.125 25502 8995 1 13 . 1 1 6 6 VAL CA C 6 58.797 58.797 58.560 0.237 25502 8996 1 13 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.547 0.588 25502 8997 1 13 . 1 1 6 6 VAL H H 6 8.741 8.741 8.519 0.222 25502 8998 1 13 . 1 1 7 7 PHE N N 7 118.968 118.968 116.172 2.796 25502 8999 1 13 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.466 0.429 25502 9000 1 13 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.700 -0.012 25502 9001 1 13 . 1 1 7 7 PHE CB C 7 43.043 43.043 42.588 0.455 25502 9002 1 13 . 1 1 7 7 PHE H H 7 8.954 8.954 7.676 1.278 25502 9003 1 13 . 1 1 8 8 PHE N N 8 116.774 116.774 118.070 -1.296 25502 9004 1 13 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.295 1.022 25502 9005 1 13 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.220 -3.797 25502 9006 1 13 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.218 1.652 25502 9007 1 13 . 1 1 8 8 PHE H H 8 9.540 9.540 8.139 1.401 25502 9008 1 13 . 1 1 9 9 ASP N N 9 123.959 123.959 124.559 -0.600 25502 9009 1 13 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.647 0.886 25502 9010 1 13 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.214 -0.449 25502 9011 1 13 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.085 0.228 25502 9012 1 13 . 1 1 9 9 ASP H H 9 9.266 9.266 8.424 0.842 25502 9013 1 13 . 1 1 10 10 ILE N N 10 124.122 124.122 126.463 -2.341 25502 9014 1 13 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.459 0.713 25502 9015 1 13 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.089 -1.930 25502 9016 1 13 . 1 1 10 10 ILE CB C 10 37.703 37.703 36.637 1.066 25502 9017 1 13 . 1 1 10 10 ILE H H 10 9.030 9.030 8.105 0.925 25502 9018 1 13 . 1 1 11 11 ALA N N 11 132.244 132.244 131.080 1.164 25502 9019 1 13 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.682 0.483 25502 9020 1 13 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.472 0.192 25502 9021 1 13 . 1 1 11 11 ALA CB C 11 52.561 52.561 21.819 30.742 25502 9022 1 13 . 1 1 11 11 ALA H H 11 9.603 9.603 9.146 0.457 25502 9023 1 13 . 1 1 12 12 VAL N N 12 118.199 118.199 124.413 -6.214 25502 9024 1 13 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.763 -0.252 25502 9025 1 13 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.032 -0.606 25502 9026 1 13 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.243 0.938 25502 9027 1 13 . 1 1 12 12 VAL H H 12 8.943 8.943 8.724 0.219 25502 9028 1 13 . 1 1 13 13 ASP N N 13 130.748 130.748 129.180 1.568 25502 9029 1 13 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.227 0.093 25502 9030 1 13 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.682 0.144 25502 9031 1 13 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.233 -0.398 25502 9032 1 13 . 1 1 13 13 ASP H H 13 9.846 9.846 8.726 1.120 25502 9033 1 13 . 1 1 14 14 GLY N N 14 101.493 101.493 103.463 -1.970 25502 9034 1 13 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.971 0.111 25502 9035 1 13 . 1 1 14 14 GLY H H 14 8.558 8.558 8.564 -0.006 25502 9036 1 13 . 1 1 15 15 GLU N N 15 123.014 123.014 123.232 -0.218 25502 9037 1 13 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.708 0.128 25502 9038 1 13 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.701 0.052 25502 9039 1 13 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.316 -0.080 25502 9040 1 13 . 1 1 15 15 GLU H H 15 8.046 8.046 7.762 0.284 25502 9041 1 13 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.716 -0.540 25502 9042 1 13 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.901 1.645 25502 9043 1 13 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.497 29.614 25502 9044 1 13 . 1 1 17 17 LEU N N 17 125.784 125.784 123.857 1.927 25502 9045 1 13 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.114 0.573 25502 9046 1 13 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.641 -1.293 25502 9047 1 13 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.511 1.646 25502 9048 1 13 . 1 1 17 17 LEU H H 17 9.189 9.189 8.670 0.519 25502 9049 1 13 . 1 1 18 18 GLY N N 18 102.200 102.200 104.249 -2.049 25502 9050 1 13 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.840 0.129 25502 9051 1 13 . 1 1 18 18 GLY H H 18 7.256 7.256 7.387 -0.131 25502 9052 1 13 . 1 1 19 19 ARG N N 19 120.995 120.995 122.295 -1.300 25502 9053 1 13 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.854 0.768 25502 9054 1 13 . 1 1 19 19 ARG CA C 19 55.015 55.015 54.896 0.119 25502 9055 1 13 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.807 0.533 25502 9056 1 13 . 1 1 19 19 ARG H H 19 8.320 8.320 8.301 0.019 25502 9057 1 13 . 1 1 20 20 VAL N N 20 126.616 126.616 123.863 2.753 25502 9058 1 13 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.835 -0.232 25502 9059 1 13 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.404 -0.462 25502 9060 1 13 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.218 2.665 25502 9061 1 13 . 1 1 20 20 VAL H H 20 9.364 9.364 8.702 0.662 25502 9062 1 13 . 1 1 21 21 SER N N 21 120.061 120.061 120.744 -0.683 25502 9063 1 13 . 1 1 21 21 SER HA H 21 5.515 5.515 5.255 0.260 25502 9064 1 13 . 1 1 21 21 SER CA C 21 55.317 55.317 55.817 -0.500 25502 9065 1 13 . 1 1 21 21 SER CB C 21 36.773 36.773 65.945 -29.172 25502 9066 1 13 . 1 1 21 21 SER H H 21 8.768 8.768 7.780 0.988 25502 9067 1 13 . 1 1 22 22 PHE N N 22 118.878 118.878 118.277 0.601 25502 9068 1 13 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.176 0.061 25502 9069 1 13 . 1 1 22 22 PHE CA C 22 55.688 55.688 57.340 -1.652 25502 9070 1 13 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.685 -1.111 25502 9071 1 13 . 1 1 22 22 PHE H H 22 9.508 9.508 9.359 0.149 25502 9072 1 13 . 1 1 23 23 GLU N N 23 122.926 122.926 123.990 -1.064 25502 9073 1 13 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.522 0.227 25502 9074 1 13 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.245 -0.296 25502 9075 1 13 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.309 1.320 25502 9076 1 13 . 1 1 23 23 GLU H H 23 8.740 8.740 9.038 -0.298 25502 9077 1 13 . 1 1 24 24 LEU N N 24 122.262 122.262 127.895 -5.633 25502 9078 1 13 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.554 0.143 25502 9079 1 13 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.737 -3.186 25502 9080 1 13 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.895 0.225 25502 9081 1 13 . 1 1 24 24 LEU H H 24 8.185 8.185 7.932 0.253 25502 9082 1 13 . 1 1 25 25 PHE N N 25 124.423 124.423 123.344 1.079 25502 9083 1 13 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.693 0.415 25502 9084 1 13 . 1 1 25 25 PHE CA C 25 54.290 54.290 56.920 -2.630 25502 9085 1 13 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.803 -0.842 25502 9086 1 13 . 1 1 25 25 PHE H H 25 8.815 8.815 9.094 -0.279 25502 9087 1 13 . 1 1 26 26 ALA N N 26 128.683 128.683 124.056 4.627 25502 9088 1 13 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.281 -0.510 25502 9089 1 13 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.598 -0.312 25502 9090 1 13 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.743 -0.118 25502 9091 1 13 . 1 1 26 26 ALA H H 26 8.433 8.433 7.589 0.844 25502 9092 1 13 . 1 1 27 27 ASP N N 27 114.069 114.069 117.403 -3.334 25502 9093 1 13 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.492 -0.249 25502 9094 1 13 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.769 -1.441 25502 9095 1 13 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.640 -1.785 25502 9096 1 13 . 1 1 27 27 ASP H H 27 9.052 9.052 8.386 0.666 25502 9097 1 13 . 1 1 28 28 LYS N N 28 117.763 117.763 117.130 0.633 25502 9098 1 13 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.441 0.130 25502 9099 1 13 . 1 1 28 28 LYS CA C 28 56.232 56.232 57.032 -0.800 25502 9100 1 13 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.298 1.624 25502 9101 1 13 . 1 1 28 28 LYS H H 28 7.545 7.545 7.865 -0.320 25502 9102 1 13 . 1 1 29 29 VAL N N 29 114.212 114.212 113.954 0.258 25502 9103 1 13 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.558 -0.107 25502 9104 1 13 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.914 -0.826 25502 9105 1 13 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.166 0.579 25502 9106 1 13 . 1 1 29 29 VAL H H 29 8.368 8.368 8.152 0.216 25502 9107 1 13 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.259 0.136 25502 9108 1 13 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.594 0.489 25502 9109 1 13 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.179 -0.875 25502 9110 1 13 . 1 1 31 31 LYS N N 31 123.500 123.500 119.215 4.285 25502 9111 1 13 . 1 1 31 31 LYS HA H 31 4.007 4.007 3.961 0.046 25502 9112 1 13 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.500 0.856 25502 9113 1 13 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.433 0.846 25502 9114 1 13 . 1 1 31 31 LYS H H 31 10.663 10.663 8.674 1.989 25502 9115 1 13 . 1 1 32 32 THR N N 32 123.707 123.707 113.085 10.622 25502 9116 1 13 . 1 1 32 32 THR HA H 32 3.988 3.988 3.861 0.127 25502 9117 1 13 . 1 1 32 32 THR CA C 32 37.678 37.678 65.632 -27.953 25502 9118 1 13 . 1 1 32 32 THR CB C 32 38.883 38.883 68.318 -29.435 25502 9119 1 13 . 1 1 32 32 THR H H 32 10.283 10.283 7.653 2.630 25502 9120 1 13 . 1 1 33 33 ALA N N 33 125.366 125.366 124.763 0.603 25502 9121 1 13 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.356 -0.319 25502 9122 1 13 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.377 0.490 25502 9123 1 13 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.409 -0.174 25502 9124 1 13 . 1 1 33 33 ALA H H 33 9.281 9.281 8.352 0.929 25502 9125 1 13 . 1 1 34 34 GLU N N 34 117.040 117.040 118.252 -1.212 25502 9126 1 13 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.942 0.567 25502 9127 1 13 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.966 -2.080 25502 9128 1 13 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.481 28.422 25502 9129 1 13 . 1 1 34 34 GLU H H 34 8.027 8.027 8.507 -0.479 25502 9130 1 13 . 1 1 35 35 ASN N N 35 115.398 115.398 118.057 -2.659 25502 9131 1 13 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.419 -0.365 25502 9132 1 13 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.454 0.177 25502 9133 1 13 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.488 0.977 25502 9134 1 13 . 1 1 35 35 ASN H H 35 7.139 7.139 7.466 -0.327 25502 9135 1 13 . 1 1 36 36 PHE N N 36 117.607 117.607 120.932 -3.325 25502 9136 1 13 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.377 -0.268 25502 9137 1 13 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.392 0.999 25502 9138 1 13 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.370 0.643 25502 9139 1 13 . 1 1 36 36 PHE H H 36 7.012 7.012 7.726 -0.714 25502 9140 1 13 . 1 1 37 37 ARG N N 37 120.804 120.804 119.727 1.077 25502 9141 1 13 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.935 -0.303 25502 9142 1 13 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.382 0.999 25502 9143 1 13 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.166 -0.306 25502 9144 1 13 . 1 1 37 37 ARG H H 37 8.935 8.935 9.105 -0.170 25502 9145 1 13 . 1 1 38 38 ALA N N 38 118.869 118.869 122.973 -4.104 25502 9146 1 13 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.108 -0.039 25502 9147 1 13 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.081 -0.741 25502 9148 1 13 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.367 -0.132 25502 9149 1 13 . 1 1 38 38 ALA H H 38 8.687 8.687 7.968 0.719 25502 9150 1 13 . 1 1 39 39 LEU N N 39 120.488 120.488 118.546 1.942 25502 9151 1 13 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.946 -0.202 25502 9152 1 13 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.994 -0.879 25502 9153 1 13 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.845 -0.819 25502 9154 1 13 . 1 1 39 39 LEU H H 39 8.173 8.173 7.675 0.498 25502 9155 1 13 . 1 1 40 40 SER N N 40 118.952 118.952 115.197 3.755 25502 9156 1 13 . 1 1 40 40 SER HA H 40 4.444 4.444 4.032 0.412 25502 9157 1 13 . 1 1 40 40 SER CA C 40 62.334 62.334 61.847 0.487 25502 9158 1 13 . 1 1 40 40 SER CB C 40 62.884 62.884 62.916 -0.032 25502 9159 1 13 . 1 1 40 40 SER H H 40 7.900 7.900 8.206 -0.306 25502 9160 1 13 . 1 1 41 41 THR N N 41 108.208 108.208 113.013 -4.805 25502 9161 1 13 . 1 1 41 41 THR HA H 41 4.288 4.288 4.066 0.222 25502 9162 1 13 . 1 1 41 41 THR CA C 41 62.810 62.810 64.309 -1.499 25502 9163 1 13 . 1 1 41 41 THR CB C 41 69.221 69.221 68.913 0.308 25502 9164 1 13 . 1 1 41 41 THR H H 41 7.974 7.974 8.162 -0.188 25502 9165 1 13 . 1 1 42 42 GLY N N 42 108.122 108.122 109.083 -0.961 25502 9166 1 13 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.474 0.284 25502 9167 1 13 . 1 1 42 42 GLY H H 42 7.582 7.582 8.195 -0.613 25502 9168 1 13 . 1 1 43 43 GLU N N 43 118.454 118.454 122.060 -3.606 25502 9169 1 13 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.937 0.183 25502 9170 1 13 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.688 -0.331 25502 9171 1 13 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.038 0.904 25502 9172 1 13 . 1 1 43 43 GLU H H 43 8.009 8.009 7.856 0.153 25502 9173 1 13 . 1 1 44 44 LYS N N 44 118.055 118.055 119.040 -0.985 25502 9174 1 13 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.933 0.348 25502 9175 1 13 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.102 -2.982 25502 9176 1 13 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.325 -2.030 25502 9177 1 13 . 1 1 44 44 LYS H H 44 9.102 9.102 7.494 1.608 25502 9178 1 13 . 1 1 45 45 GLY N N 45 105.305 105.305 105.207 0.098 25502 9179 1 13 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.267 -0.736 25502 9180 1 13 . 1 1 45 45 GLY H H 45 7.939 7.939 8.323 -0.384 25502 9181 1 13 . 1 1 46 46 PHE N N 46 113.461 113.461 114.860 -1.399 25502 9182 1 13 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.856 -0.232 25502 9183 1 13 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.857 -1.976 25502 9184 1 13 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.156 0.312 25502 9185 1 13 . 1 1 46 46 PHE H H 46 6.413 6.413 7.458 -1.045 25502 9186 1 13 . 1 1 47 47 GLY N N 47 104.416 104.416 107.829 -3.413 25502 9187 1 13 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.491 -0.033 25502 9188 1 13 . 1 1 47 47 GLY H H 47 7.686 7.686 8.649 -0.963 25502 9189 1 13 . 1 1 48 48 TYR N N 48 113.530 113.530 121.224 -7.694 25502 9190 1 13 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.567 -0.359 25502 9191 1 13 . 1 1 48 48 TYR CA C 48 57.039 57.039 56.802 0.237 25502 9192 1 13 . 1 1 48 48 TYR CB C 48 38.419 38.419 38.982 -0.563 25502 9193 1 13 . 1 1 48 48 TYR H H 48 6.887 6.887 8.362 -1.475 25502 9194 1 13 . 1 1 49 49 LYS N N 49 124.631 124.631 121.183 3.448 25502 9195 1 13 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.127 -0.532 25502 9196 1 13 . 1 1 49 49 LYS CA C 49 60.882 60.882 58.264 2.618 25502 9197 1 13 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.581 -1.413 25502 9198 1 13 . 1 1 49 49 LYS H H 49 8.474 8.474 8.126 0.348 25502 9199 1 13 . 1 1 50 50 GLY N N 50 117.591 117.591 112.563 5.028 25502 9200 1 13 . 1 1 50 50 GLY CA C 50 45.041 45.041 44.725 0.316 25502 9201 1 13 . 1 1 50 50 GLY H H 50 9.482 9.482 8.971 0.511 25502 9202 1 13 . 1 1 51 51 SER N N 51 116.156 116.156 117.599 -1.443 25502 9203 1 13 . 1 1 51 51 SER HA H 51 4.658 4.658 4.455 0.203 25502 9204 1 13 . 1 1 51 51 SER CA C 51 58.682 58.682 58.959 -0.278 25502 9205 1 13 . 1 1 51 51 SER CB C 51 64.607 64.607 63.902 0.705 25502 9206 1 13 . 1 1 51 51 SER H H 51 8.397 8.397 7.728 0.669 25502 9207 1 13 . 1 1 52 52 CYS N N 52 114.800 114.800 116.257 -1.457 25502 9208 1 13 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.404 0.491 25502 9209 1 13 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.497 -0.532 25502 9210 1 13 . 1 1 52 52 CYS CB C 52 31.719 31.719 31.466 0.253 25502 9211 1 13 . 1 1 52 52 CYS H H 52 9.858 9.858 8.093 1.765 25502 9212 1 13 . 1 1 53 53 PHE N N 53 122.839 122.839 118.164 4.675 25502 9213 1 13 . 1 1 53 53 PHE HA H 53 4.853 4.853 5.210 -0.357 25502 9214 1 13 . 1 1 53 53 PHE CA C 53 58.083 58.083 56.926 1.157 25502 9215 1 13 . 1 1 53 53 PHE CB C 53 38.728 38.728 41.393 -2.665 25502 9216 1 13 . 1 1 53 53 PHE H H 53 8.702 8.702 8.337 0.365 25502 9217 1 13 . 1 1 54 54 HIS N N 54 119.944 119.944 122.941 -2.997 25502 9218 1 13 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.912 -0.206 25502 9219 1 13 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.527 1.458 25502 9220 1 13 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.786 0.558 25502 9221 1 13 . 1 1 54 54 HIS H H 54 7.623 7.623 8.371 -0.748 25502 9222 1 13 . 1 1 55 55 ARG N N 55 122.758 122.758 120.108 2.650 25502 9223 1 13 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.588 0.511 25502 9224 1 13 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.215 -1.512 25502 9225 1 13 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.426 3.345 25502 9226 1 13 . 1 1 55 55 ARG H H 55 7.031 7.031 8.269 -1.238 25502 9227 1 13 . 1 1 56 56 ILE N N 56 126.170 126.170 123.887 2.283 25502 9228 1 13 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.423 0.166 25502 9229 1 13 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.978 0.473 25502 9230 1 13 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.089 0.543 25502 9231 1 13 . 1 1 56 56 ILE H H 56 9.166 9.166 7.907 1.259 25502 9232 1 13 . 1 1 57 57 ILE N N 57 127.731 127.731 126.847 0.884 25502 9233 1 13 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.937 0.260 25502 9234 1 13 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.653 -0.039 25502 9235 1 13 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.855 0.160 25502 9236 1 13 . 1 1 57 57 ILE H H 57 8.718 8.718 8.464 0.254 25502 9237 1 13 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.560 -0.236 25502 9238 1 13 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.095 -0.146 25502 9239 1 13 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.861 2.050 25502 9240 1 13 . 1 1 59 59 GLY N N 59 113.877 113.877 108.066 5.811 25502 9241 1 13 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.975 -0.797 25502 9242 1 13 . 1 1 59 59 GLY H H 59 9.679 9.679 8.470 1.209 25502 9243 1 13 . 1 1 60 60 PHE N N 60 118.955 118.955 121.703 -2.748 25502 9244 1 13 . 1 1 60 60 PHE HA H 60 5.093 5.093 5.181 -0.088 25502 9245 1 13 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.185 -1.440 25502 9246 1 13 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.401 -2.708 25502 9247 1 13 . 1 1 60 60 PHE H H 60 8.095 8.095 7.939 0.156 25502 9248 1 13 . 1 1 61 61 MET N N 61 110.963 110.963 110.887 0.076 25502 9249 1 13 . 1 1 61 61 MET HA H 61 5.311 5.311 4.950 0.361 25502 9250 1 13 . 1 1 61 61 MET CA C 61 54.802 54.802 55.517 -0.715 25502 9251 1 13 . 1 1 61 61 MET CB C 61 34.892 34.892 33.841 1.051 25502 9252 1 13 . 1 1 61 61 MET H H 61 8.088 8.088 7.876 0.212 25502 9253 1 13 . 1 1 62 62 CYS N N 62 114.627 114.627 118.067 -3.440 25502 9254 1 13 . 1 1 62 62 CYS HA H 62 4.873 4.873 5.370 -0.497 25502 9255 1 13 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.647 -0.312 25502 9256 1 13 . 1 1 62 62 CYS CB C 62 60.060 60.060 31.550 28.510 25502 9257 1 13 . 1 1 62 62 CYS H H 62 8.474 8.474 8.310 0.164 25502 9258 1 13 . 1 1 63 63 GLN N N 63 126.463 126.463 118.037 8.426 25502 9259 1 13 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.838 0.538 25502 9260 1 13 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.175 -0.651 25502 9261 1 13 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.323 -1.923 25502 9262 1 13 . 1 1 63 63 GLN H H 63 9.651 9.651 8.288 1.363 25502 9263 1 13 . 1 1 64 64 GLY N N 64 110.531 110.531 110.008 0.523 25502 9264 1 13 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.857 -1.457 25502 9265 1 13 . 1 1 64 64 GLY H H 64 7.352 7.352 8.333 -0.981 25502 9266 1 13 . 1 1 65 65 GLY N N 65 105.572 105.572 107.432 -1.860 25502 9267 1 13 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.422 2.003 25502 9268 1 13 . 1 1 65 65 GLY H H 65 9.292 9.292 7.678 1.614 25502 9269 1 13 . 1 1 66 66 ASP N N 66 123.656 123.656 122.910 0.746 25502 9270 1 13 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.244 0.046 25502 9271 1 13 . 1 1 66 66 ASP CA C 66 51.505 51.505 54.282 -2.777 25502 9272 1 13 . 1 1 66 66 ASP CB C 66 38.702 38.702 41.189 -2.487 25502 9273 1 13 . 1 1 66 66 ASP H H 66 9.910 9.910 8.531 1.379 25502 9274 1 13 . 1 1 67 67 PHE N N 67 115.914 115.914 119.992 -4.078 25502 9275 1 13 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.591 0.006 25502 9276 1 13 . 1 1 67 67 PHE CA C 67 55.784 55.784 57.727 -1.942 25502 9277 1 13 . 1 1 67 67 PHE CB C 67 39.357 39.357 38.922 0.435 25502 9278 1 13 . 1 1 67 67 PHE H H 67 6.624 6.624 7.137 -0.513 25502 9279 1 13 . 1 1 68 68 THR N N 68 108.853 108.853 115.202 -6.349 25502 9280 1 13 . 1 1 68 68 THR HA H 68 4.638 4.638 4.039 0.599 25502 9281 1 13 . 1 1 68 68 THR CA C 68 61.621 61.621 62.292 -0.671 25502 9282 1 13 . 1 1 68 68 THR CB C 68 68.789 68.789 69.191 -0.401 25502 9283 1 13 . 1 1 68 68 THR H H 68 7.320 7.320 7.377 -0.057 25502 9284 1 13 . 1 1 69 69 ARG N N 69 121.780 121.780 123.700 -1.920 25502 9285 1 13 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.219 0.143 25502 9286 1 13 . 1 1 69 69 ARG CA C 69 55.028 55.028 58.721 -3.693 25502 9287 1 13 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.517 31.016 25502 9288 1 13 . 1 1 69 69 ARG H H 69 8.655 8.655 8.918 -0.263 25502 9289 1 13 . 1 1 70 70 HIS N N 70 112.009 112.009 113.718 -1.709 25502 9290 1 13 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.681 -0.283 25502 9291 1 13 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.974 0.161 25502 9292 1 13 . 1 1 70 70 HIS CB C 70 58.434 58.434 30.783 27.651 25502 9293 1 13 . 1 1 70 70 HIS H H 70 6.838 6.838 8.181 -1.343 25502 9294 1 13 . 1 1 71 71 ASN N N 71 112.340 112.340 118.402 -6.062 25502 9295 1 13 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.800 -0.205 25502 9296 1 13 . 1 1 71 71 ASN CA C 71 52.160 52.160 52.545 -0.385 25502 9297 1 13 . 1 1 71 71 ASN CB C 71 38.707 38.707 38.755 -0.048 25502 9298 1 13 . 1 1 71 71 ASN H H 71 7.519 7.519 8.350 -0.831 25502 9299 1 13 . 1 1 72 72 GLY N N 72 110.239 110.239 108.071 2.168 25502 9300 1 13 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.003 -0.430 25502 9301 1 13 . 1 1 72 72 GLY H H 72 9.619 9.619 7.828 1.791 25502 9302 1 13 . 1 1 73 73 THR N N 73 111.802 111.802 115.951 -4.149 25502 9303 1 13 . 1 1 73 73 THR HA H 73 4.487 4.487 4.395 0.092 25502 9304 1 13 . 1 1 73 73 THR CA C 73 62.070 62.070 62.441 -0.371 25502 9305 1 13 . 1 1 73 73 THR CB C 73 40.762 40.762 68.992 -28.230 25502 9306 1 13 . 1 1 73 73 THR H H 73 7.930 7.930 8.245 -0.315 25502 9307 1 13 . 1 1 74 74 GLY N N 74 113.668 113.668 111.345 2.323 25502 9308 1 13 . 1 1 74 74 GLY CA C 74 44.908 44.908 47.312 -2.404 25502 9309 1 13 . 1 1 74 74 GLY H H 74 8.669 8.669 8.757 -0.088 25502 9310 1 13 . 1 1 75 75 GLY N N 75 108.813 108.813 107.503 1.310 25502 9311 1 13 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.710 -1.673 25502 9312 1 13 . 1 1 75 75 GLY H H 75 8.066 8.066 8.239 -0.173 25502 9313 1 13 . 1 1 76 76 LYS N N 76 115.526 115.526 117.975 -2.449 25502 9314 1 13 . 1 1 76 76 LYS HA H 76 4.585 4.585 3.870 0.715 25502 9315 1 13 . 1 1 76 76 LYS CA C 76 55.707 55.707 57.669 -1.962 25502 9316 1 13 . 1 1 76 76 LYS CB C 76 34.515 34.515 31.738 2.776 25502 9317 1 13 . 1 1 76 76 LYS H H 76 6.981 6.981 8.001 -1.020 25502 9318 1 13 . 1 1 77 77 SER N N 77 114.105 114.105 116.975 -2.870 25502 9319 1 13 . 1 1 77 77 SER HA H 77 5.185 5.185 4.631 0.554 25502 9320 1 13 . 1 1 77 77 SER CA C 77 56.816 56.816 57.634 -0.818 25502 9321 1 13 . 1 1 77 77 SER CB C 77 38.963 38.963 63.676 -24.713 25502 9322 1 13 . 1 1 78 78 ILE N N 78 110.963 110.963 124.042 -13.079 25502 9323 1 13 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.828 0.342 25502 9324 1 13 . 1 1 78 78 ILE CA C 78 63.517 63.517 63.944 -0.427 25502 9325 1 13 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.521 -0.213 25502 9326 1 13 . 1 1 78 78 ILE H H 78 8.557 8.557 9.163 -0.606 25502 9327 1 13 . 1 1 79 79 TYR N N 79 120.472 120.472 119.002 1.470 25502 9328 1 13 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.497 0.170 25502 9329 1 13 . 1 1 79 79 TYR CA C 79 56.147 56.147 59.386 -3.239 25502 9330 1 13 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.480 -0.756 25502 9331 1 13 . 1 1 79 79 TYR H H 79 8.007 8.007 7.842 0.165 25502 9332 1 13 . 1 1 80 80 GLY N N 80 106.402 106.402 105.364 1.038 25502 9333 1 13 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.224 -1.476 25502 9334 1 13 . 1 1 80 80 GLY H H 80 7.115 7.115 7.602 -0.487 25502 9335 1 13 . 1 1 81 81 GLU N N 81 122.838 122.838 119.451 3.387 25502 9336 1 13 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.056 -0.110 25502 9337 1 13 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.882 1.256 25502 9338 1 13 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.868 0.240 25502 9339 1 13 . 1 1 81 81 GLU H H 81 8.878 8.878 8.467 0.411 25502 9340 1 13 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.071 1.454 25502 9341 1 13 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.358 -1.583 25502 9342 1 13 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.730 2.581 25502 9343 1 13 . 1 1 82 82 LYS H H 82 7.799 7.799 7.397 0.402 25502 9344 1 13 . 1 1 83 83 PHE N N 83 116.432 116.432 116.051 0.381 25502 9345 1 13 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.950 -0.005 25502 9346 1 13 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.189 0.548 25502 9347 1 13 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.133 0.161 25502 9348 1 13 . 1 1 83 83 PHE H H 83 9.147 9.147 7.857 1.290 25502 9349 1 13 . 1 1 84 84 GLU N N 84 119.352 119.352 118.856 0.496 25502 9350 1 13 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.187 -0.385 25502 9351 1 13 . 1 1 84 84 GLU CA C 84 56.197 56.197 56.281 -0.084 25502 9352 1 13 . 1 1 84 84 GLU CB C 84 29.105 29.105 29.867 -0.762 25502 9353 1 13 . 1 1 84 84 GLU H H 84 9.252 9.252 8.452 0.800 25502 9354 1 13 . 1 1 85 85 ASP N N 85 118.583 118.583 123.185 -4.602 25502 9355 1 13 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.525 -0.299 25502 9356 1 13 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.792 -1.818 25502 9357 1 13 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.579 -0.794 25502 9358 1 13 . 1 1 85 85 ASP H H 85 8.593 8.593 8.575 0.018 25502 9359 1 13 . 1 1 86 86 GLU N N 86 131.488 131.488 121.394 10.094 25502 9360 1 13 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.187 -0.392 25502 9361 1 13 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.344 2.929 25502 9362 1 13 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.743 0.896 25502 9363 1 13 . 1 1 86 86 GLU H H 86 9.461 9.461 8.734 0.727 25502 9364 1 13 . 1 1 87 87 ASN N N 87 106.549 106.549 113.795 -7.246 25502 9365 1 13 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.992 0.138 25502 9366 1 13 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.051 0.538 25502 9367 1 13 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.210 0.139 25502 9368 1 13 . 1 1 87 87 ASN H H 87 7.044 7.044 7.524 -0.480 25502 9369 1 13 . 1 1 88 88 PHE N N 88 112.731 112.731 114.668 -1.937 25502 9370 1 13 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.886 1.041 25502 9371 1 13 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.000 -0.312 25502 9372 1 13 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.548 0.272 25502 9373 1 13 . 1 1 88 88 PHE H H 88 8.319 8.319 8.082 0.237 25502 9374 1 13 . 1 1 89 89 ILE N N 89 119.556 119.556 120.385 -0.829 25502 9375 1 13 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.828 -0.176 25502 9376 1 13 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.963 0.924 25502 9377 1 13 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.689 1.250 25502 9378 1 13 . 1 1 89 89 ILE H H 89 8.302 8.302 7.916 0.386 25502 9379 1 13 . 1 1 90 90 LEU N N 90 116.951 116.951 120.388 -3.437 25502 9380 1 13 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.329 0.127 25502 9381 1 13 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.281 0.904 25502 9382 1 13 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.617 1.293 25502 9383 1 13 . 1 1 90 90 LEU H H 90 7.746 7.746 7.787 -0.041 25502 9384 1 13 . 1 1 91 91 LYS N N 91 118.722 118.722 121.048 -2.326 25502 9385 1 13 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.108 0.520 25502 9386 1 13 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.988 -1.673 25502 9387 1 13 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.572 0.978 25502 9388 1 13 . 1 1 91 91 LYS H H 91 8.057 8.057 7.934 0.123 25502 9389 1 13 . 1 1 92 92 HIS N N 92 122.221 122.221 121.608 0.613 25502 9390 1 13 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.417 -0.075 25502 9391 1 13 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.747 0.009 25502 9392 1 13 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.656 -1.761 25502 9393 1 13 . 1 1 92 92 HIS H H 92 10.706 10.706 8.500 2.206 25502 9394 1 13 . 1 1 93 93 THR N N 93 110.178 110.178 115.249 -5.071 25502 9395 1 13 . 1 1 93 93 THR HA H 93 4.004 4.004 4.173 -0.169 25502 9396 1 13 . 1 1 93 93 THR CA C 93 63.018 63.018 63.652 -0.634 25502 9397 1 13 . 1 1 93 93 THR CB C 93 69.341 69.341 69.967 -0.626 25502 9398 1 13 . 1 1 93 93 THR H H 93 7.261 7.261 7.885 -0.624 25502 9399 1 13 . 1 1 94 94 GLY N N 94 106.990 106.990 107.487 -0.497 25502 9400 1 13 . 1 1 94 94 GLY CA C 94 45.454 45.454 43.154 2.300 25502 9401 1 13 . 1 1 94 94 GLY H H 94 7.489 7.489 7.639 -0.150 25502 9402 1 13 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.540 -0.736 25502 9403 1 13 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.811 -0.272 25502 9404 1 13 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.819 29.133 25502 9405 1 13 . 1 1 96 96 GLY N N 96 109.908 109.908 106.339 3.569 25502 9406 1 13 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.651 -0.822 25502 9407 1 13 . 1 1 96 96 GLY H H 96 9.271 9.271 8.494 0.777 25502 9408 1 13 . 1 1 97 97 ILE N N 97 121.176 121.176 120.054 1.122 25502 9409 1 13 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.351 -0.236 25502 9410 1 13 . 1 1 97 97 ILE CA C 97 59.311 59.311 58.935 0.376 25502 9411 1 13 . 1 1 97 97 ILE CB C 97 37.758 37.758 39.100 -1.342 25502 9412 1 13 . 1 1 97 97 ILE H H 97 6.765 6.765 7.271 -0.506 25502 9413 1 13 . 1 1 98 98 LEU N N 98 128.477 128.477 126.427 2.050 25502 9414 1 13 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.502 0.496 25502 9415 1 13 . 1 1 98 98 LEU CA C 98 53.233 53.233 52.778 0.455 25502 9416 1 13 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.915 -1.290 25502 9417 1 13 . 1 1 98 98 LEU H H 98 7.872 7.872 8.382 -0.510 25502 9418 1 13 . 1 1 99 99 SER N N 99 118.325 118.325 116.428 1.897 25502 9419 1 13 . 1 1 99 99 SER HA H 99 5.316 5.316 5.087 0.229 25502 9420 1 13 . 1 1 99 99 SER CA C 99 54.909 54.909 57.279 -2.370 25502 9421 1 13 . 1 1 99 99 SER CB C 99 65.380 65.380 66.457 -1.077 25502 9422 1 13 . 1 1 99 99 SER H H 99 8.285 8.285 7.468 0.817 25502 9423 1 13 . 1 1 100 100 MET N N 100 122.826 122.826 121.977 0.849 25502 9424 1 13 . 1 1 100 100 MET HA H 100 5.259 5.259 4.654 0.605 25502 9425 1 13 . 1 1 100 100 MET CA C 100 53.800 53.800 55.075 -1.275 25502 9426 1 13 . 1 1 100 100 MET CB C 100 30.960 30.960 31.086 -0.126 25502 9427 1 13 . 1 1 100 100 MET H H 100 8.544 8.544 8.924 -0.380 25502 9428 1 13 . 1 1 101 101 ALA N N 101 125.971 125.971 126.950 -0.979 25502 9429 1 13 . 1 1 101 101 ALA HA H 101 4.276 4.276 3.709 0.567 25502 9430 1 13 . 1 1 101 101 ALA CA C 101 51.498 51.498 52.919 -1.421 25502 9431 1 13 . 1 1 101 101 ALA CB C 101 19.403 19.403 19.711 -0.308 25502 9432 1 13 . 1 1 101 101 ALA H H 101 7.999 7.999 8.323 -0.324 25502 9433 1 13 . 1 1 102 102 ASN N N 102 113.207 113.207 118.623 -5.416 25502 9434 1 13 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.566 0.010 25502 9435 1 13 . 1 1 102 102 ASN CA C 102 53.841 53.841 53.108 0.732 25502 9436 1 13 . 1 1 102 102 ASN CB C 102 40.379 40.379 40.082 0.297 25502 9437 1 13 . 1 1 102 102 ASN H H 102 8.097 8.097 8.164 -0.067 25502 9438 1 13 . 1 1 103 103 ALA N N 103 123.056 123.056 122.061 0.995 25502 9439 1 13 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.150 0.635 25502 9440 1 13 . 1 1 103 103 ALA CA C 103 50.154 50.154 54.575 -4.421 25502 9441 1 13 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.242 -0.213 25502 9442 1 13 . 1 1 103 103 ALA H H 103 8.787 8.787 8.487 0.300 25502 9443 1 13 . 1 1 104 104 GLY N N 104 108.942 108.942 104.500 4.442 25502 9444 1 13 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.805 -1.396 25502 9445 1 13 . 1 1 104 104 GLY H H 104 8.111 8.111 7.855 0.256 25502 9446 1 13 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.401 -0.074 25502 9447 1 13 . 1 1 105 105 PRO CA C 105 63.883 63.883 62.582 1.301 25502 9448 1 13 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.133 1.769 25502 9449 1 13 . 1 1 106 106 ASN N N 106 118.866 118.866 120.189 -1.323 25502 9450 1 13 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.357 -0.360 25502 9451 1 13 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.549 -0.446 25502 9452 1 13 . 1 1 106 106 ASN CB C 106 36.992 36.992 36.535 0.457 25502 9453 1 13 . 1 1 106 106 ASN H H 106 8.866 8.866 8.861 0.005 25502 9454 1 13 . 1 1 107 107 THR N N 107 109.971 109.971 108.469 1.502 25502 9455 1 13 . 1 1 107 107 THR HA H 107 4.434 4.434 4.480 -0.046 25502 9456 1 13 . 1 1 107 107 THR CA C 107 60.040 60.040 61.294 -1.254 25502 9457 1 13 . 1 1 107 107 THR CB C 107 39.196 39.196 70.184 -30.988 25502 9458 1 13 . 1 1 107 107 THR H H 107 10.165 10.165 7.760 2.405 25502 9459 1 13 . 1 1 108 108 ASN N N 108 120.251 120.251 118.233 2.018 25502 9460 1 13 . 1 1 108 108 ASN HA H 108 4.215 4.215 5.032 -0.817 25502 9461 1 13 . 1 1 108 108 ASN CA C 108 55.448 55.448 51.711 3.737 25502 9462 1 13 . 1 1 108 108 ASN CB C 108 39.600 39.600 40.777 -1.177 25502 9463 1 13 . 1 1 108 108 ASN H H 108 7.349 7.349 7.533 -0.184 25502 9464 1 13 . 1 1 109 109 GLY N N 109 110.632 110.632 105.442 5.190 25502 9465 1 13 . 1 1 109 109 GLY CA C 109 46.039 46.039 44.197 1.842 25502 9466 1 13 . 1 1 109 109 GLY H H 109 9.188 9.188 8.815 0.373 25502 9467 1 13 . 1 1 110 110 SER N N 110 116.806 116.806 114.180 2.626 25502 9468 1 13 . 1 1 110 110 SER HA H 110 4.698 4.698 4.177 0.521 25502 9469 1 13 . 1 1 110 110 SER CA C 110 57.454 57.454 58.676 -1.222 25502 9470 1 13 . 1 1 110 110 SER CB C 110 65.964 65.964 62.345 3.619 25502 9471 1 13 . 1 1 110 110 SER H H 110 8.738 8.738 8.416 0.322 25502 9472 1 13 . 1 1 111 111 GLN N N 111 124.263 124.263 118.432 5.831 25502 9473 1 13 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.126 1.042 25502 9474 1 13 . 1 1 111 111 GLN CA C 111 57.494 57.494 57.677 -0.183 25502 9475 1 13 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.696 1.936 25502 9476 1 13 . 1 1 111 111 GLN H H 111 8.388 8.388 7.657 0.731 25502 9477 1 13 . 1 1 112 112 PHE N N 112 117.560 117.560 114.361 3.199 25502 9478 1 13 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.976 1.738 25502 9479 1 13 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.236 -2.789 25502 9480 1 13 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.280 3.720 25502 9481 1 13 . 1 1 112 112 PHE H H 112 8.058 8.058 7.691 0.367 25502 9482 1 13 . 1 1 113 113 PHE N N 113 116.199 116.199 123.764 -7.565 25502 9483 1 13 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.954 0.716 25502 9484 1 13 . 1 1 113 113 PHE CA C 113 54.437 54.437 57.421 -2.984 25502 9485 1 13 . 1 1 113 113 PHE CB C 113 42.617 42.617 40.874 1.742 25502 9486 1 13 . 1 1 113 113 PHE H H 113 9.795 9.795 7.350 2.445 25502 9487 1 13 . 1 1 114 114 ILE N N 114 118.391 118.391 126.172 -7.781 25502 9488 1 13 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.830 0.964 25502 9489 1 13 . 1 1 114 114 ILE CA C 114 60.060 60.060 61.187 -1.127 25502 9490 1 13 . 1 1 114 114 ILE CB C 114 40.162 40.162 39.085 1.077 25502 9491 1 13 . 1 1 114 114 ILE H H 114 9.098 9.098 8.303 0.795 25502 9492 1 13 . 1 1 115 115 CYS N N 115 125.271 125.271 128.081 -2.810 25502 9493 1 13 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.706 0.046 25502 9494 1 13 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.058 2.614 25502 9495 1 13 . 1 1 115 115 CYS CB C 115 58.569 58.569 27.756 30.813 25502 9496 1 13 . 1 1 115 115 CYS H H 115 9.597 9.597 8.501 1.096 25502 9497 1 13 . 1 1 116 116 THR N N 116 115.478 115.478 118.448 -2.970 25502 9498 1 13 . 1 1 116 116 THR HA H 116 4.324 4.324 4.275 0.049 25502 9499 1 13 . 1 1 116 116 THR CA C 116 60.720 60.720 62.403 -1.683 25502 9500 1 13 . 1 1 116 116 THR CB C 116 66.502 66.502 68.865 -2.363 25502 9501 1 13 . 1 1 116 116 THR H H 116 8.947 8.947 7.963 0.984 25502 9502 1 13 . 1 1 117 117 ALA N N 117 121.996 121.996 121.687 0.309 25502 9503 1 13 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.382 -0.024 25502 9504 1 13 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.532 -1.021 25502 9505 1 13 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.632 1.976 25502 9506 1 13 . 1 1 117 117 ALA H H 117 7.602 7.602 7.195 0.407 25502 9507 1 13 . 1 1 118 118 LYS N N 118 119.550 119.550 122.445 -2.895 25502 9508 1 13 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.986 -0.207 25502 9509 1 13 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.388 0.276 25502 9510 1 13 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.146 1.353 25502 9511 1 13 . 1 1 118 118 LYS H H 118 8.690 8.690 8.475 0.215 25502 9512 1 13 . 1 1 119 119 THR N N 119 118.759 118.759 117.222 1.537 25502 9513 1 13 . 1 1 119 119 THR HA H 119 3.623 3.623 2.042 1.581 25502 9514 1 13 . 1 1 119 119 THR CA C 119 57.088 57.088 58.544 -1.456 25502 9515 1 13 . 1 1 119 119 THR H H 119 7.328 7.328 7.746 -0.418 25502 9516 1 13 . 1 1 120 120 GLU N N 120 124.407 124.407 122.158 2.249 25502 9517 1 13 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.970 0.150 25502 9518 1 13 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.483 0.589 25502 9519 1 13 . 1 1 120 120 GLU H H 120 9.092 9.092 7.488 1.604 25502 9520 1 13 . 1 1 121 121 TRP N N 121 117.495 117.495 118.917 -1.422 25502 9521 1 13 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.445 0.208 25502 9522 1 13 . 1 1 121 121 TRP CA C 121 59.461 59.461 57.936 1.525 25502 9523 1 13 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.211 -1.461 25502 9524 1 13 . 1 1 121 121 TRP H H 121 7.251 7.251 7.485 -0.234 25502 9525 1 13 . 1 1 122 122 LEU N N 122 119.528 119.528 119.567 -0.039 25502 9526 1 13 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.931 0.320 25502 9527 1 13 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.883 -2.383 25502 9528 1 13 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.424 -2.525 25502 9529 1 13 . 1 1 122 122 LEU H H 122 7.019 7.019 6.720 0.299 25502 9530 1 13 . 1 1 123 123 ASP N N 123 121.832 121.832 116.978 4.854 25502 9531 1 13 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.318 0.847 25502 9532 1 13 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.268 0.588 25502 9533 1 13 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.140 -0.768 25502 9534 1 13 . 1 1 123 123 ASP H H 123 7.607 7.607 7.786 -0.179 25502 9535 1 13 . 1 1 124 124 GLY N N 124 110.836 110.836 106.316 4.520 25502 9536 1 13 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.788 -0.765 25502 9537 1 13 . 1 1 124 124 GLY H H 124 9.522 9.522 8.553 0.969 25502 9538 1 13 . 1 1 125 125 LYS N N 125 115.016 115.016 117.990 -2.974 25502 9539 1 13 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.115 -0.006 25502 9540 1 13 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.547 -0.298 25502 9541 1 13 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.370 3.019 25502 9542 1 13 . 1 1 125 125 LYS H H 125 7.727 7.727 8.345 -0.618 25502 9543 1 13 . 1 1 126 126 HIS N N 126 119.223 119.223 114.008 5.215 25502 9544 1 13 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.915 -0.116 25502 9545 1 13 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.718 -0.159 25502 9546 1 13 . 1 1 126 126 HIS H H 126 7.571 7.571 7.575 -0.004 25502 9547 1 13 . 1 1 127 127 VAL N N 127 124.730 124.730 119.916 4.814 25502 9548 1 13 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.464 -0.206 25502 9549 1 13 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.535 2.112 25502 9550 1 13 . 1 1 127 127 VAL CB C 127 33.416 33.416 34.459 -1.043 25502 9551 1 13 . 1 1 127 127 VAL H H 127 8.474 8.474 8.831 -0.357 25502 9552 1 13 . 1 1 128 128 VAL N N 128 132.814 132.814 127.055 5.759 25502 9553 1 13 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.443 -0.293 25502 9554 1 13 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.496 -1.127 25502 9555 1 13 . 1 1 128 128 VAL H H 128 9.470 9.470 8.747 0.723 25502 9556 1 13 . 1 1 129 129 PHE N N 129 117.478 117.478 121.513 -4.035 25502 9557 1 13 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.029 0.224 25502 9558 1 13 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.159 -0.252 25502 9559 1 13 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.884 2.572 25502 9560 1 13 . 1 1 129 129 PHE H H 129 8.086 8.086 7.986 0.100 25502 9561 1 13 . 1 1 130 130 GLY N N 130 110.497 110.497 107.763 2.734 25502 9562 1 13 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.364 1.030 25502 9563 1 13 . 1 1 130 130 GLY H H 130 7.297 7.297 7.342 -0.045 25502 9564 1 13 . 1 1 131 131 LYS N N 131 115.059 115.059 117.669 -2.610 25502 9565 1 13 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.592 0.615 25502 9566 1 13 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.856 -1.061 25502 9567 1 13 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.708 0.144 25502 9568 1 13 . 1 1 131 131 LYS H H 131 8.353 8.353 8.409 -0.056 25502 9569 1 13 . 1 1 132 132 VAL N N 132 123.802 123.802 126.164 -2.362 25502 9570 1 13 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.855 0.033 25502 9571 1 13 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.860 -0.913 25502 9572 1 13 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.598 1.949 25502 9573 1 13 . 1 1 132 132 VAL H H 132 9.015 9.015 8.696 0.319 25502 9574 1 13 . 1 1 133 133 LYS N N 133 131.324 131.324 128.165 3.159 25502 9575 1 13 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.129 0.295 25502 9576 1 13 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.109 -0.450 25502 9577 1 13 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.360 0.507 25502 9578 1 13 . 1 1 133 133 LYS H H 133 9.469 9.469 8.733 0.736 25502 9579 1 13 . 1 1 134 134 GLU N N 134 118.178 118.178 114.762 3.416 25502 9580 1 13 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.403 0.156 25502 9581 1 13 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.676 -0.528 25502 9582 1 13 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.799 -0.063 25502 9583 1 13 . 1 1 134 134 GLU H H 134 7.543 7.543 7.617 -0.074 25502 9584 1 13 . 1 1 135 135 GLY N N 135 107.767 107.767 109.191 -1.424 25502 9585 1 13 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.789 0.078 25502 9586 1 13 . 1 1 135 135 GLY H H 135 8.693 8.693 8.760 -0.067 25502 9587 1 13 . 1 1 136 136 MET N N 136 122.307 122.307 119.896 2.411 25502 9588 1 13 . 1 1 136 136 MET HA H 136 4.437 4.437 4.024 0.413 25502 9589 1 13 . 1 1 136 136 MET CA C 136 56.659 56.659 56.756 -0.097 25502 9590 1 13 . 1 1 136 136 MET CB C 136 30.025 30.025 31.890 -1.865 25502 9591 1 13 . 1 1 136 136 MET H H 136 8.790 8.790 8.375 0.415 25502 9592 1 13 . 1 1 137 137 ASN N N 137 114.221 114.221 117.231 -3.010 25502 9593 1 13 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.428 0.022 25502 9594 1 13 . 1 1 137 137 ASN CA C 137 55.926 55.926 56.193 -0.267 25502 9595 1 13 . 1 1 137 137 ASN CB C 137 35.817 35.817 38.239 -2.422 25502 9596 1 13 . 1 1 137 137 ASN H H 137 8.849 8.849 8.434 0.415 25502 9597 1 13 . 1 1 138 138 ILE N N 138 123.949 123.949 119.298 4.651 25502 9598 1 13 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.874 -0.124 25502 9599 1 13 . 1 1 138 138 ILE CA C 138 61.331 61.331 64.246 -2.915 25502 9600 1 13 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.859 -2.519 25502 9601 1 13 . 1 1 138 138 ILE H H 138 7.642 7.642 8.352 -0.710 25502 9602 1 13 . 1 1 139 139 VAL N N 139 121.654 121.654 119.258 2.396 25502 9603 1 13 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.734 0.110 25502 9604 1 13 . 1 1 139 139 VAL CA C 139 66.031 66.031 65.968 0.063 25502 9605 1 13 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.688 0.288 25502 9606 1 13 . 1 1 139 139 VAL H H 139 7.244 7.244 7.844 -0.600 25502 9607 1 13 . 1 1 140 140 GLU N N 140 117.078 117.078 118.937 -1.859 25502 9608 1 13 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.060 -0.017 25502 9609 1 13 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.837 0.325 25502 9610 1 13 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.313 0.106 25502 9611 1 13 . 1 1 140 140 GLU H H 140 8.291 8.291 7.672 0.619 25502 9612 1 13 . 1 1 141 141 ALA N N 141 120.813 120.813 122.551 -1.738 25502 9613 1 13 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.096 -0.035 25502 9614 1 13 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.761 -0.032 25502 9615 1 13 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.399 -0.383 25502 9616 1 13 . 1 1 141 141 ALA H H 141 7.495 7.495 7.659 -0.164 25502 9617 1 13 . 1 1 142 142 MET N N 142 117.301 117.301 117.744 -0.443 25502 9618 1 13 . 1 1 142 142 MET HA H 142 3.938 3.938 4.251 -0.313 25502 9619 1 13 . 1 1 142 142 MET CA C 142 59.610 59.610 59.325 0.285 25502 9620 1 13 . 1 1 142 142 MET CB C 142 33.678 33.678 32.282 1.396 25502 9621 1 13 . 1 1 142 142 MET H H 142 8.259 8.259 7.939 0.320 25502 9622 1 13 . 1 1 143 143 GLU N N 143 116.052 116.052 116.926 -0.874 25502 9623 1 13 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.064 -0.348 25502 9624 1 13 . 1 1 143 143 GLU CA C 143 59.182 59.182 58.929 0.253 25502 9625 1 13 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.814 1.457 25502 9626 1 13 . 1 1 143 143 GLU H H 143 7.832 7.832 8.160 -0.328 25502 9627 1 13 . 1 1 144 144 ARG N N 144 114.357 114.357 119.348 -4.991 25502 9628 1 13 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.047 -0.125 25502 9629 1 13 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.908 -0.366 25502 9630 1 13 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.160 0.143 25502 9631 1 13 . 1 1 144 144 ARG H H 144 7.034 7.034 7.288 -0.254 25502 9632 1 13 . 1 1 145 145 PHE N N 145 115.146 115.146 116.286 -1.140 25502 9633 1 13 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.802 -0.009 25502 9634 1 13 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.946 0.668 25502 9635 1 13 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.343 -0.430 25502 9636 1 13 . 1 1 145 145 PHE H H 145 7.624 7.624 8.056 -0.432 25502 9637 1 13 . 1 1 146 146 GLY N N 146 104.498 104.498 107.420 -2.922 25502 9638 1 13 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.685 0.464 25502 9639 1 13 . 1 1 146 146 GLY H H 146 7.514 7.514 7.437 0.077 25502 9640 1 13 . 1 1 147 147 SER N N 147 109.815 109.815 115.822 -6.007 25502 9641 1 13 . 1 1 147 147 SER HA H 147 4.755 4.755 4.780 -0.025 25502 9642 1 13 . 1 1 147 147 SER CA C 147 58.033 58.033 56.710 1.323 25502 9643 1 13 . 1 1 147 147 SER H H 147 8.190 8.190 8.343 -0.153 25502 9644 1 13 . 1 1 148 148 ARG N N 148 119.789 119.789 124.128 -4.339 25502 9645 1 13 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.263 -0.096 25502 9646 1 13 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.829 2.662 25502 9647 1 13 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.558 2.103 25502 9648 1 13 . 1 1 148 148 ARG H H 148 8.795 8.795 8.850 -0.055 25502 9649 1 13 . 1 1 149 149 ASN N N 149 111.378 111.378 117.644 -6.266 25502 9650 1 13 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.700 0.134 25502 9651 1 13 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.472 -1.352 25502 9652 1 13 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.769 -1.528 25502 9653 1 13 . 1 1 149 149 ASN H H 149 7.841 7.841 8.558 -0.717 25502 9654 1 13 . 1 1 150 150 GLY N N 150 109.893 109.893 107.803 2.090 25502 9655 1 13 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.428 -0.531 25502 9656 1 13 . 1 1 150 150 GLY H H 150 8.040 8.040 7.696 0.344 25502 9657 1 13 . 1 1 151 151 LYS N N 151 119.608 119.608 122.313 -2.705 25502 9658 1 13 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.360 0.045 25502 9659 1 13 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.924 -0.879 25502 9660 1 13 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.079 -0.810 25502 9661 1 13 . 1 1 151 151 LYS H H 151 7.525 7.525 8.590 -1.065 25502 9662 1 13 . 1 1 152 152 THR N N 152 116.317 116.317 110.092 6.225 25502 9663 1 13 . 1 1 152 152 THR HA H 152 5.532 5.532 4.845 0.687 25502 9664 1 13 . 1 1 152 152 THR CA C 152 59.953 59.953 60.162 -0.209 25502 9665 1 13 . 1 1 152 152 THR CB C 152 71.108 71.108 71.491 -0.383 25502 9666 1 13 . 1 1 152 152 THR H H 152 8.823 8.823 8.029 0.794 25502 9667 1 13 . 1 1 153 153 SER N N 153 116.804 116.804 119.905 -3.101 25502 9668 1 13 . 1 1 153 153 SER HA H 153 4.456 4.456 4.396 0.060 25502 9669 1 13 . 1 1 153 153 SER CA C 153 58.712 58.712 61.165 -2.453 25502 9670 1 13 . 1 1 153 153 SER CB C 153 63.477 63.477 63.747 -0.270 25502 9671 1 13 . 1 1 153 153 SER H H 153 9.412 9.412 9.162 0.250 25502 9672 1 13 . 1 1 154 154 LYS N N 154 119.068 119.068 120.184 -1.116 25502 9673 1 13 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.422 0.110 25502 9674 1 13 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.020 -0.620 25502 9675 1 13 . 1 1 154 154 LYS CB C 154 38.406 38.406 34.280 4.126 25502 9676 1 13 . 1 1 154 154 LYS H H 154 7.527 7.527 7.502 0.025 25502 9677 1 13 . 1 1 155 155 LYS N N 155 121.541 121.541 121.494 0.047 25502 9678 1 13 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.560 -0.247 25502 9679 1 13 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.096 1.050 25502 9680 1 13 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.644 -0.656 25502 9681 1 13 . 1 1 155 155 LYS H H 155 8.791 8.791 8.433 0.358 25502 9682 1 13 . 1 1 156 156 ILE N N 156 133.980 133.980 130.108 3.872 25502 9683 1 13 . 1 1 156 156 ILE HA H 156 5.093 5.093 4.789 0.304 25502 9684 1 13 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.703 -1.439 25502 9685 1 13 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.370 -0.530 25502 9686 1 13 . 1 1 156 156 ILE H H 156 9.606 9.606 8.994 0.612 25502 9687 1 13 . 1 1 157 157 THR N N 157 116.977 116.977 120.291 -3.314 25502 9688 1 13 . 1 1 157 157 THR HA H 157 5.274 5.274 5.094 0.180 25502 9689 1 13 . 1 1 157 157 THR CA C 157 59.475 59.475 59.772 -0.297 25502 9690 1 13 . 1 1 157 157 THR CB C 157 72.475 72.475 71.504 0.971 25502 9691 1 13 . 1 1 157 157 THR H H 157 9.233 9.233 8.919 0.314 25502 9692 1 13 . 1 1 158 158 ILE N N 158 121.529 121.529 121.401 0.128 25502 9693 1 13 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.899 -0.657 25502 9694 1 13 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.385 0.483 25502 9695 1 13 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.355 -1.565 25502 9696 1 13 . 1 1 158 158 ILE H H 158 8.580 8.580 8.133 0.447 25502 9697 1 13 . 1 1 159 159 ALA N N 159 132.313 132.313 131.899 0.414 25502 9698 1 13 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.195 -0.071 25502 9699 1 13 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.886 0.187 25502 9700 1 13 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.536 -0.523 25502 9701 1 13 . 1 1 159 159 ALA H H 159 8.873 8.873 8.692 0.181 25502 9702 1 13 . 1 1 160 160 ASP N N 160 111.257 111.257 116.534 -5.277 25502 9703 1 13 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.765 0.125 25502 9704 1 13 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.500 -0.861 25502 9705 1 13 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.450 0.137 25502 9706 1 13 . 1 1 160 160 ASP H H 160 8.066 8.066 7.936 0.130 25502 9707 1 13 . 1 1 161 161 CYS N N 161 115.837 115.837 118.771 -2.934 25502 9708 1 13 . 1 1 161 161 CYS HA H 161 4.544 4.544 4.269 0.275 25502 9709 1 13 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.130 0.018 25502 9710 1 13 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.233 -0.097 25502 9711 1 13 . 1 1 161 161 CYS H H 161 8.591 8.591 8.376 0.215 25502 9712 1 13 . 1 1 162 162 GLY N N 162 103.888 103.888 108.005 -4.117 25502 9713 1 13 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.131 0.218 25502 9714 1 13 . 1 1 162 162 GLY H H 162 6.844 6.844 7.439 -0.595 25502 9715 1 13 . 1 1 163 163 GLN N N 163 120.718 120.718 121.828 -1.110 25502 9716 1 13 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.330 0.739 25502 9717 1 13 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.325 -1.516 25502 9718 1 13 . 1 1 163 163 GLN CB C 163 30.590 30.590 28.282 2.308 25502 9719 1 13 . 1 1 163 163 GLN H H 163 9.066 9.066 8.592 0.474 25502 9720 1 13 . 1 1 164 164 LEU N N 164 125.816 125.816 127.504 -1.688 25502 9721 1 13 . 1 1 164 164 LEU HA H 164 4.607 4.607 3.979 0.628 25502 9722 1 13 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.941 -2.201 25502 9723 1 13 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.536 1.826 25502 9724 1 13 . 1 1 164 164 LEU H H 164 8.593 8.593 8.932 -0.339 25502 9725 1 14 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.350 -0.174 25502 9726 1 14 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.424 -0.932 25502 9727 1 14 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.456 -0.330 25502 9728 1 14 . 1 1 3 3 ASN N N 3 126.515 126.515 124.727 1.788 25502 9729 1 14 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.194 -0.057 25502 9730 1 14 . 1 1 3 3 ASN CA C 3 51.008 51.008 50.653 0.355 25502 9731 1 14 . 1 1 3 3 ASN CB C 3 37.799 37.799 40.032 -2.233 25502 9732 1 14 . 1 1 3 3 ASN H H 3 8.600 8.600 8.495 0.105 25502 9733 1 14 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.478 0.275 25502 9734 1 14 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.824 -0.155 25502 9735 1 14 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.662 0.476 25502 9736 1 14 . 1 1 5 5 THR N N 5 114.826 114.826 115.875 -1.049 25502 9737 1 14 . 1 1 5 5 THR HA H 5 5.716 5.716 4.908 0.808 25502 9738 1 14 . 1 1 5 5 THR CA C 5 60.698 60.698 61.403 -0.705 25502 9739 1 14 . 1 1 5 5 THR CB C 5 41.142 41.142 71.869 -30.727 25502 9740 1 14 . 1 1 5 5 THR H H 5 8.771 8.771 8.115 0.656 25502 9741 1 14 . 1 1 6 6 VAL N N 6 120.113 120.113 123.844 -3.731 25502 9742 1 14 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.448 -0.109 25502 9743 1 14 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.228 -0.431 25502 9744 1 14 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.522 0.613 25502 9745 1 14 . 1 1 6 6 VAL H H 6 8.741 8.741 8.214 0.527 25502 9746 1 14 . 1 1 7 7 PHE N N 7 118.968 118.968 122.702 -3.734 25502 9747 1 14 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.120 0.775 25502 9748 1 14 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.892 -0.204 25502 9749 1 14 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.603 1.440 25502 9750 1 14 . 1 1 7 7 PHE H H 7 8.954 8.954 8.278 0.676 25502 9751 1 14 . 1 1 8 8 PHE N N 8 116.774 116.774 120.331 -3.557 25502 9752 1 14 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.685 0.632 25502 9753 1 14 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.377 -3.954 25502 9754 1 14 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.830 1.040 25502 9755 1 14 . 1 1 8 8 PHE H H 8 9.540 9.540 8.389 1.151 25502 9756 1 14 . 1 1 9 9 ASP N N 9 123.959 123.959 124.945 -0.986 25502 9757 1 14 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.673 0.860 25502 9758 1 14 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.580 -0.815 25502 9759 1 14 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.580 -0.267 25502 9760 1 14 . 1 1 9 9 ASP H H 9 9.266 9.266 9.088 0.178 25502 9761 1 14 . 1 1 10 10 ILE N N 10 124.122 124.122 125.537 -1.415 25502 9762 1 14 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.657 0.515 25502 9763 1 14 . 1 1 10 10 ILE CA C 10 58.159 58.159 59.880 -1.721 25502 9764 1 14 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.470 0.233 25502 9765 1 14 . 1 1 10 10 ILE H H 10 9.030 9.030 7.856 1.174 25502 9766 1 14 . 1 1 11 11 ALA N N 11 132.244 132.244 130.744 1.500 25502 9767 1 14 . 1 1 11 11 ALA HA H 11 5.165 5.165 5.033 0.132 25502 9768 1 14 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.012 0.652 25502 9769 1 14 . 1 1 11 11 ALA CB C 11 52.561 52.561 22.963 29.598 25502 9770 1 14 . 1 1 11 11 ALA H H 11 9.603 9.603 9.272 0.331 25502 9771 1 14 . 1 1 12 12 VAL N N 12 118.199 118.199 121.426 -3.227 25502 9772 1 14 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.722 -0.211 25502 9773 1 14 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.205 -0.779 25502 9774 1 14 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.989 0.193 25502 9775 1 14 . 1 1 12 12 VAL H H 12 8.943 8.943 8.832 0.111 25502 9776 1 14 . 1 1 13 13 ASP N N 13 130.748 130.748 129.235 1.513 25502 9777 1 14 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.280 0.040 25502 9778 1 14 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.376 0.450 25502 9779 1 14 . 1 1 13 13 ASP CB C 13 39.835 39.835 39.836 -0.000 25502 9780 1 14 . 1 1 13 13 ASP H H 13 9.846 9.846 8.963 0.883 25502 9781 1 14 . 1 1 14 14 GLY N N 14 101.493 101.493 103.734 -2.241 25502 9782 1 14 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.937 0.145 25502 9783 1 14 . 1 1 14 14 GLY H H 14 8.558 8.558 8.622 -0.064 25502 9784 1 14 . 1 1 15 15 GLU N N 15 123.014 123.014 123.777 -0.763 25502 9785 1 14 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.687 0.149 25502 9786 1 14 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.855 -0.102 25502 9787 1 14 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.168 0.068 25502 9788 1 14 . 1 1 15 15 GLU H H 15 8.046 8.046 7.654 0.392 25502 9789 1 14 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.600 -0.424 25502 9790 1 14 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.002 1.544 25502 9791 1 14 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.374 29.737 25502 9792 1 14 . 1 1 17 17 LEU N N 17 125.784 125.784 123.995 1.789 25502 9793 1 14 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.127 0.560 25502 9794 1 14 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.605 -1.257 25502 9795 1 14 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.548 1.609 25502 9796 1 14 . 1 1 17 17 LEU H H 17 9.189 9.189 8.769 0.420 25502 9797 1 14 . 1 1 18 18 GLY N N 18 102.200 102.200 103.848 -1.648 25502 9798 1 14 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.616 0.353 25502 9799 1 14 . 1 1 18 18 GLY H H 18 7.256 7.256 7.468 -0.212 25502 9800 1 14 . 1 1 19 19 ARG N N 19 120.995 120.995 123.168 -2.173 25502 9801 1 14 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.717 0.905 25502 9802 1 14 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.001 0.014 25502 9803 1 14 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.885 0.455 25502 9804 1 14 . 1 1 19 19 ARG H H 19 8.320 8.320 8.371 -0.051 25502 9805 1 14 . 1 1 20 20 VAL N N 20 126.616 126.616 124.339 2.277 25502 9806 1 14 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.783 -0.180 25502 9807 1 14 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.555 -1.614 25502 9808 1 14 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.340 1.543 25502 9809 1 14 . 1 1 20 20 VAL H H 20 9.364 9.364 8.635 0.729 25502 9810 1 14 . 1 1 21 21 SER N N 21 120.061 120.061 120.343 -0.282 25502 9811 1 14 . 1 1 21 21 SER HA H 21 5.515 5.515 5.132 0.383 25502 9812 1 14 . 1 1 21 21 SER CA C 21 55.317 55.317 55.670 -0.353 25502 9813 1 14 . 1 1 21 21 SER CB C 21 36.773 36.773 65.619 -28.846 25502 9814 1 14 . 1 1 21 21 SER H H 21 8.768 8.768 7.854 0.914 25502 9815 1 14 . 1 1 22 22 PHE N N 22 118.878 118.878 117.455 1.423 25502 9816 1 14 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.237 0.000 25502 9817 1 14 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.736 -1.048 25502 9818 1 14 . 1 1 22 22 PHE CB C 22 42.574 42.574 42.914 -0.340 25502 9819 1 14 . 1 1 22 22 PHE H H 22 9.508 9.508 9.069 0.439 25502 9820 1 14 . 1 1 23 23 GLU N N 23 122.926 122.926 123.566 -0.640 25502 9821 1 14 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.521 0.228 25502 9822 1 14 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.852 0.097 25502 9823 1 14 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.196 1.433 25502 9824 1 14 . 1 1 23 23 GLU H H 23 8.740 8.740 8.999 -0.259 25502 9825 1 14 . 1 1 24 24 LEU N N 24 122.262 122.262 127.944 -5.682 25502 9826 1 14 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.509 0.188 25502 9827 1 14 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.292 -2.741 25502 9828 1 14 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.515 0.605 25502 9829 1 14 . 1 1 24 24 LEU H H 24 8.185 8.185 7.956 0.229 25502 9830 1 14 . 1 1 25 25 PHE N N 25 124.423 124.423 125.056 -0.633 25502 9831 1 14 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.647 0.461 25502 9832 1 14 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.486 -3.196 25502 9833 1 14 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.505 -0.544 25502 9834 1 14 . 1 1 25 25 PHE H H 25 8.815 8.815 9.265 -0.450 25502 9835 1 14 . 1 1 26 26 ALA N N 26 128.683 128.683 125.661 3.022 25502 9836 1 14 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.351 -0.580 25502 9837 1 14 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.475 -0.189 25502 9838 1 14 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.401 0.224 25502 9839 1 14 . 1 1 26 26 ALA H H 26 8.433 8.433 8.199 0.234 25502 9840 1 14 . 1 1 27 27 ASP N N 27 114.069 114.069 117.659 -3.590 25502 9841 1 14 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.531 -0.288 25502 9842 1 14 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.458 -1.130 25502 9843 1 14 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.204 -2.349 25502 9844 1 14 . 1 1 27 27 ASP H H 27 9.052 9.052 8.204 0.848 25502 9845 1 14 . 1 1 28 28 LYS N N 28 117.763 117.763 116.575 1.188 25502 9846 1 14 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.451 0.120 25502 9847 1 14 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.991 -0.759 25502 9848 1 14 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.761 1.161 25502 9849 1 14 . 1 1 28 28 LYS H H 28 7.545 7.545 8.053 -0.508 25502 9850 1 14 . 1 1 29 29 VAL N N 29 114.212 114.212 115.587 -1.375 25502 9851 1 14 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.657 -0.206 25502 9852 1 14 . 1 1 29 29 VAL CA C 29 58.089 58.089 59.063 -0.974 25502 9853 1 14 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.750 -0.005 25502 9854 1 14 . 1 1 29 29 VAL H H 29 8.368 8.368 8.210 0.158 25502 9855 1 14 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.394 0.001 25502 9856 1 14 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.494 0.589 25502 9857 1 14 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.892 -0.588 25502 9858 1 14 . 1 1 31 31 LYS N N 31 123.500 123.500 118.666 4.834 25502 9859 1 14 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.028 -0.021 25502 9860 1 14 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.123 1.232 25502 9861 1 14 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.615 0.664 25502 9862 1 14 . 1 1 31 31 LYS H H 31 10.663 10.663 8.597 2.066 25502 9863 1 14 . 1 1 32 32 THR N N 32 123.707 123.707 112.725 10.982 25502 9864 1 14 . 1 1 32 32 THR HA H 32 3.988 3.988 4.130 -0.142 25502 9865 1 14 . 1 1 32 32 THR CA C 32 37.678 37.678 65.892 -28.214 25502 9866 1 14 . 1 1 32 32 THR CB C 32 38.883 38.883 68.400 -29.517 25502 9867 1 14 . 1 1 32 32 THR H H 32 10.283 10.283 7.627 2.656 25502 9868 1 14 . 1 1 33 33 ALA N N 33 125.366 125.366 124.367 0.999 25502 9869 1 14 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.355 -0.318 25502 9870 1 14 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.495 0.372 25502 9871 1 14 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.382 -0.147 25502 9872 1 14 . 1 1 33 33 ALA H H 33 9.281 9.281 8.429 0.852 25502 9873 1 14 . 1 1 34 34 GLU N N 34 117.040 117.040 118.261 -1.221 25502 9874 1 14 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.926 0.583 25502 9875 1 14 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.746 -1.860 25502 9876 1 14 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.440 28.463 25502 9877 1 14 . 1 1 34 34 GLU H H 34 8.027 8.027 8.153 -0.126 25502 9878 1 14 . 1 1 35 35 ASN N N 35 115.398 115.398 118.044 -2.646 25502 9879 1 14 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.422 -0.368 25502 9880 1 14 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.392 0.239 25502 9881 1 14 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.450 1.015 25502 9882 1 14 . 1 1 35 35 ASN H H 35 7.139 7.139 7.577 -0.438 25502 9883 1 14 . 1 1 36 36 PHE N N 36 117.607 117.607 121.179 -3.572 25502 9884 1 14 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.418 -0.309 25502 9885 1 14 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.258 1.133 25502 9886 1 14 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.200 0.813 25502 9887 1 14 . 1 1 36 36 PHE H H 36 7.012 7.012 7.811 -0.799 25502 9888 1 14 . 1 1 37 37 ARG N N 37 120.804 120.804 120.039 0.765 25502 9889 1 14 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.933 -0.301 25502 9890 1 14 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.085 1.296 25502 9891 1 14 . 1 1 37 37 ARG CB C 37 29.860 29.860 29.826 0.035 25502 9892 1 14 . 1 1 37 37 ARG H H 37 8.935 8.935 8.852 0.083 25502 9893 1 14 . 1 1 38 38 ALA N N 38 118.869 118.869 122.062 -3.193 25502 9894 1 14 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.118 -0.049 25502 9895 1 14 . 1 1 38 38 ALA CA C 38 54.340 54.340 54.808 -0.468 25502 9896 1 14 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.235 0.000 25502 9897 1 14 . 1 1 38 38 ALA H H 38 8.687 8.687 7.849 0.838 25502 9898 1 14 . 1 1 39 39 LEU N N 39 120.488 120.488 118.670 1.818 25502 9899 1 14 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.873 -0.129 25502 9900 1 14 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.236 -0.121 25502 9901 1 14 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.833 -0.807 25502 9902 1 14 . 1 1 39 39 LEU H H 39 8.173 8.173 7.645 0.528 25502 9903 1 14 . 1 1 40 40 SER N N 40 118.952 118.952 115.082 3.870 25502 9904 1 14 . 1 1 40 40 SER HA H 40 4.444 4.444 3.851 0.593 25502 9905 1 14 . 1 1 40 40 SER CA C 40 62.334 62.334 61.822 0.512 25502 9906 1 14 . 1 1 40 40 SER CB C 40 62.884 62.884 62.599 0.285 25502 9907 1 14 . 1 1 40 40 SER H H 40 7.900 7.900 8.299 -0.399 25502 9908 1 14 . 1 1 41 41 THR N N 41 108.208 108.208 111.028 -2.820 25502 9909 1 14 . 1 1 41 41 THR HA H 41 4.288 4.288 4.011 0.277 25502 9910 1 14 . 1 1 41 41 THR CA C 41 62.810 62.810 64.479 -1.669 25502 9911 1 14 . 1 1 41 41 THR CB C 41 69.221 69.221 69.159 0.062 25502 9912 1 14 . 1 1 41 41 THR H H 41 7.974 7.974 7.773 0.201 25502 9913 1 14 . 1 1 42 42 GLY N N 42 108.122 108.122 108.734 -0.612 25502 9914 1 14 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.300 0.458 25502 9915 1 14 . 1 1 42 42 GLY H H 42 7.582 7.582 7.624 -0.042 25502 9916 1 14 . 1 1 43 43 GLU N N 43 118.454 118.454 121.729 -3.275 25502 9917 1 14 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.919 0.201 25502 9918 1 14 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.552 -0.195 25502 9919 1 14 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.088 0.854 25502 9920 1 14 . 1 1 43 43 GLU H H 43 8.009 8.009 7.838 0.171 25502 9921 1 14 . 1 1 44 44 LYS N N 44 118.055 118.055 119.541 -1.486 25502 9922 1 14 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.941 0.340 25502 9923 1 14 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.293 -3.173 25502 9924 1 14 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.482 -2.186 25502 9925 1 14 . 1 1 44 44 LYS H H 44 9.102 9.102 7.308 1.794 25502 9926 1 14 . 1 1 45 45 GLY N N 45 105.305 105.305 105.823 -0.518 25502 9927 1 14 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.556 -1.026 25502 9928 1 14 . 1 1 45 45 GLY H H 45 7.939 7.939 8.249 -0.310 25502 9929 1 14 . 1 1 46 46 PHE N N 46 113.461 113.461 115.408 -1.947 25502 9930 1 14 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.490 0.134 25502 9931 1 14 . 1 1 46 46 PHE CA C 46 53.881 53.881 56.306 -2.425 25502 9932 1 14 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.438 0.030 25502 9933 1 14 . 1 1 46 46 PHE H H 46 6.413 6.413 7.366 -0.953 25502 9934 1 14 . 1 1 47 47 GLY N N 47 104.416 104.416 107.858 -3.442 25502 9935 1 14 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.106 0.352 25502 9936 1 14 . 1 1 47 47 GLY H H 47 7.686 7.686 8.641 -0.955 25502 9937 1 14 . 1 1 48 48 TYR N N 48 113.530 113.530 122.478 -8.948 25502 9938 1 14 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.321 -0.113 25502 9939 1 14 . 1 1 48 48 TYR CA C 48 57.039 57.039 57.877 -0.838 25502 9940 1 14 . 1 1 48 48 TYR CB C 48 38.419 38.419 40.843 -2.424 25502 9941 1 14 . 1 1 48 48 TYR H H 48 6.887 6.887 8.254 -1.367 25502 9942 1 14 . 1 1 49 49 LYS N N 49 124.631 124.631 123.116 1.515 25502 9943 1 14 . 1 1 49 49 LYS HA H 49 3.595 3.595 3.793 -0.198 25502 9944 1 14 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.952 2.930 25502 9945 1 14 . 1 1 49 49 LYS CB C 49 31.168 31.168 31.292 -0.124 25502 9946 1 14 . 1 1 49 49 LYS H H 49 8.474 8.474 8.541 -0.067 25502 9947 1 14 . 1 1 50 50 GLY N N 50 117.591 117.591 111.929 5.662 25502 9948 1 14 . 1 1 50 50 GLY CA C 50 45.041 45.041 44.473 0.568 25502 9949 1 14 . 1 1 50 50 GLY H H 50 9.482 9.482 8.777 0.705 25502 9950 1 14 . 1 1 51 51 SER N N 51 116.156 116.156 116.823 -0.667 25502 9951 1 14 . 1 1 51 51 SER HA H 51 4.658 4.658 4.681 -0.023 25502 9952 1 14 . 1 1 51 51 SER CA C 51 58.682 58.682 59.631 -0.949 25502 9953 1 14 . 1 1 51 51 SER CB C 51 64.607 64.607 64.585 0.022 25502 9954 1 14 . 1 1 51 51 SER H H 51 8.397 8.397 8.507 -0.110 25502 9955 1 14 . 1 1 52 52 CYS N N 52 114.800 114.800 114.475 0.325 25502 9956 1 14 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.217 0.678 25502 9957 1 14 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.459 -0.494 25502 9958 1 14 . 1 1 52 52 CYS CB C 52 31.719 31.719 31.922 -0.203 25502 9959 1 14 . 1 1 52 52 CYS H H 52 9.858 9.858 8.425 1.433 25502 9960 1 14 . 1 1 53 53 PHE N N 53 122.839 122.839 117.869 4.970 25502 9961 1 14 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.834 0.019 25502 9962 1 14 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.623 0.460 25502 9963 1 14 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.874 -2.146 25502 9964 1 14 . 1 1 53 53 PHE H H 53 8.702 8.702 9.077 -0.375 25502 9965 1 14 . 1 1 54 54 HIS N N 54 119.944 119.944 121.186 -1.242 25502 9966 1 14 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.846 -0.140 25502 9967 1 14 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.578 1.407 25502 9968 1 14 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.674 0.670 25502 9969 1 14 . 1 1 54 54 HIS H H 54 7.623 7.623 8.680 -1.057 25502 9970 1 14 . 1 1 55 55 ARG N N 55 122.758 122.758 119.719 3.039 25502 9971 1 14 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.759 0.340 25502 9972 1 14 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.755 -2.051 25502 9973 1 14 . 1 1 55 55 ARG CB C 55 33.771 33.771 32.633 1.138 25502 9974 1 14 . 1 1 55 55 ARG H H 55 7.031 7.031 7.792 -0.761 25502 9975 1 14 . 1 1 56 56 ILE N N 56 126.170 126.170 126.258 -0.088 25502 9976 1 14 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.466 0.123 25502 9977 1 14 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.262 0.189 25502 9978 1 14 . 1 1 56 56 ILE CB C 56 41.632 41.632 42.324 -0.692 25502 9979 1 14 . 1 1 56 56 ILE H H 56 9.166 9.166 9.014 0.152 25502 9980 1 14 . 1 1 57 57 ILE N N 57 127.731 127.731 126.260 1.471 25502 9981 1 14 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.951 0.246 25502 9982 1 14 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.814 -0.200 25502 9983 1 14 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.718 0.297 25502 9984 1 14 . 1 1 57 57 ILE H H 57 8.718 8.718 8.080 0.638 25502 9985 1 14 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.596 -0.272 25502 9986 1 14 . 1 1 58 58 PRO CA C 58 62.949 62.949 62.995 -0.046 25502 9987 1 14 . 1 1 58 58 PRO CB C 58 31.911 31.911 29.515 2.396 25502 9988 1 14 . 1 1 59 59 GLY N N 59 113.877 113.877 107.277 6.600 25502 9989 1 14 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.868 -0.690 25502 9990 1 14 . 1 1 59 59 GLY H H 59 9.679 9.679 8.628 1.051 25502 9991 1 14 . 1 1 60 60 PHE N N 60 118.955 118.955 119.046 -0.091 25502 9992 1 14 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.647 0.446 25502 9993 1 14 . 1 1 60 60 PHE CA C 60 56.745 56.745 59.134 -2.389 25502 9994 1 14 . 1 1 60 60 PHE CB C 60 39.693 39.693 41.529 -1.837 25502 9995 1 14 . 1 1 60 60 PHE H H 60 8.095 8.095 7.752 0.343 25502 9996 1 14 . 1 1 61 61 MET N N 61 110.963 110.963 112.085 -1.122 25502 9997 1 14 . 1 1 61 61 MET HA H 61 5.311 5.311 5.123 0.188 25502 9998 1 14 . 1 1 61 61 MET CA C 61 54.802 54.802 55.298 -0.496 25502 9999 1 14 . 1 1 61 61 MET CB C 61 34.892 34.892 33.916 0.976 25502 10000 1 14 . 1 1 61 61 MET H H 61 8.088 8.088 7.738 0.350 25502 10001 1 14 . 1 1 62 62 CYS N N 62 114.627 114.627 119.511 -4.884 25502 10002 1 14 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.700 0.173 25502 10003 1 14 . 1 1 62 62 CYS CA C 62 57.335 57.335 58.156 -0.821 25502 10004 1 14 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.241 29.819 25502 10005 1 14 . 1 1 62 62 CYS H H 62 8.474 8.474 8.588 -0.114 25502 10006 1 14 . 1 1 63 63 GLN N N 63 126.463 126.463 118.579 7.884 25502 10007 1 14 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.825 0.551 25502 10008 1 14 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.833 -1.309 25502 10009 1 14 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.193 -1.792 25502 10010 1 14 . 1 1 63 63 GLN H H 63 9.651 9.651 8.745 0.906 25502 10011 1 14 . 1 1 64 64 GLY N N 64 110.531 110.531 110.283 0.248 25502 10012 1 14 . 1 1 64 64 GLY CA C 64 44.400 44.400 43.952 0.448 25502 10013 1 14 . 1 1 64 64 GLY H H 64 7.352 7.352 7.943 -0.591 25502 10014 1 14 . 1 1 65 65 GLY N N 65 105.572 105.572 107.463 -1.891 25502 10015 1 14 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.558 1.867 25502 10016 1 14 . 1 1 65 65 GLY H H 65 9.292 9.292 8.031 1.261 25502 10017 1 14 . 1 1 66 66 ASP N N 66 123.656 123.656 116.997 6.659 25502 10018 1 14 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.656 -0.366 25502 10019 1 14 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.014 -1.509 25502 10020 1 14 . 1 1 66 66 ASP CB C 66 38.702 38.702 43.599 -4.897 25502 10021 1 14 . 1 1 66 66 ASP H H 66 9.910 9.910 8.190 1.720 25502 10022 1 14 . 1 1 67 67 PHE N N 67 115.914 115.914 114.052 1.862 25502 10023 1 14 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.796 -0.199 25502 10024 1 14 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.578 -0.794 25502 10025 1 14 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.993 -0.636 25502 10026 1 14 . 1 1 67 67 PHE H H 67 6.624 6.624 7.964 -1.340 25502 10027 1 14 . 1 1 68 68 THR N N 68 108.853 108.853 118.407 -9.554 25502 10028 1 14 . 1 1 68 68 THR HA H 68 4.638 4.638 4.264 0.374 25502 10029 1 14 . 1 1 68 68 THR CA C 68 61.621 61.621 62.346 -0.725 25502 10030 1 14 . 1 1 68 68 THR CB C 68 68.789 68.789 69.728 -0.939 25502 10031 1 14 . 1 1 68 68 THR H H 68 7.320 7.320 7.717 -0.397 25502 10032 1 14 . 1 1 69 69 ARG N N 69 121.780 121.780 123.711 -1.931 25502 10033 1 14 . 1 1 69 69 ARG HA H 69 4.362 4.362 3.987 0.375 25502 10034 1 14 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.979 -1.951 25502 10035 1 14 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.768 30.765 25502 10036 1 14 . 1 1 69 69 ARG H H 69 8.655 8.655 8.423 0.232 25502 10037 1 14 . 1 1 70 70 HIS N N 70 112.009 112.009 117.089 -5.080 25502 10038 1 14 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.866 -0.468 25502 10039 1 14 . 1 1 70 70 HIS CA C 70 57.135 57.135 54.787 2.348 25502 10040 1 14 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.327 29.107 25502 10041 1 14 . 1 1 70 70 HIS H H 70 6.838 6.838 8.375 -1.537 25502 10042 1 14 . 1 1 71 71 ASN N N 71 112.340 112.340 119.227 -6.887 25502 10043 1 14 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.602 -0.007 25502 10044 1 14 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.213 -1.053 25502 10045 1 14 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.337 -0.630 25502 10046 1 14 . 1 1 71 71 ASN H H 71 7.519 7.519 8.167 -0.648 25502 10047 1 14 . 1 1 72 72 GLY N N 72 110.239 110.239 108.497 1.742 25502 10048 1 14 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.391 -0.818 25502 10049 1 14 . 1 1 72 72 GLY H H 72 9.619 9.619 8.337 1.282 25502 10050 1 14 . 1 1 73 73 THR N N 73 111.802 111.802 114.815 -3.013 25502 10051 1 14 . 1 1 73 73 THR HA H 73 4.487 4.487 4.390 0.097 25502 10052 1 14 . 1 1 73 73 THR CA C 73 62.070 62.070 62.374 -0.304 25502 10053 1 14 . 1 1 73 73 THR CB C 73 40.762 40.762 70.797 -30.035 25502 10054 1 14 . 1 1 73 73 THR H H 73 7.930 7.930 7.969 -0.039 25502 10055 1 14 . 1 1 74 74 GLY N N 74 113.668 113.668 112.392 1.276 25502 10056 1 14 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.984 -0.076 25502 10057 1 14 . 1 1 74 74 GLY H H 74 8.669 8.669 7.538 1.131 25502 10058 1 14 . 1 1 75 75 GLY N N 75 108.813 108.813 110.932 -2.119 25502 10059 1 14 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.664 -1.627 25502 10060 1 14 . 1 1 75 75 GLY H H 75 8.066 8.066 7.868 0.198 25502 10061 1 14 . 1 1 76 76 LYS N N 76 115.526 115.526 116.518 -0.992 25502 10062 1 14 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.920 -0.335 25502 10063 1 14 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.692 1.015 25502 10064 1 14 . 1 1 76 76 LYS CB C 76 34.515 34.515 35.378 -0.863 25502 10065 1 14 . 1 1 76 76 LYS H H 76 6.981 6.981 8.113 -1.132 25502 10066 1 14 . 1 1 77 77 SER N N 77 114.105 114.105 114.763 -0.658 25502 10067 1 14 . 1 1 77 77 SER HA H 77 5.185 5.185 4.934 0.251 25502 10068 1 14 . 1 1 77 77 SER CA C 77 56.816 56.816 57.231 -0.415 25502 10069 1 14 . 1 1 77 77 SER CB C 77 38.963 38.963 62.718 -23.755 25502 10070 1 14 . 1 1 78 78 ILE N N 78 110.963 110.963 114.316 -3.353 25502 10071 1 14 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.666 0.504 25502 10072 1 14 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.412 1.105 25502 10073 1 14 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.021 1.287 25502 10074 1 14 . 1 1 78 78 ILE H H 78 8.557 8.557 7.522 1.035 25502 10075 1 14 . 1 1 79 79 TYR N N 79 120.472 120.472 117.139 3.333 25502 10076 1 14 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.745 -0.078 25502 10077 1 14 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.663 -2.516 25502 10078 1 14 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.601 -0.876 25502 10079 1 14 . 1 1 79 79 TYR H H 79 8.007 8.007 7.620 0.387 25502 10080 1 14 . 1 1 80 80 GLY N N 80 106.402 106.402 107.501 -1.099 25502 10081 1 14 . 1 1 80 80 GLY CA C 80 43.748 43.748 46.505 -2.756 25502 10082 1 14 . 1 1 80 80 GLY H H 80 7.115 7.115 7.945 -0.830 25502 10083 1 14 . 1 1 81 81 GLU N N 81 122.838 122.838 118.242 4.596 25502 10084 1 14 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.618 -0.672 25502 10085 1 14 . 1 1 81 81 GLU CA C 81 60.138 60.138 56.725 3.413 25502 10086 1 14 . 1 1 81 81 GLU CB C 81 30.108 30.108 32.350 -2.242 25502 10087 1 14 . 1 1 81 81 GLU H H 81 8.878 8.878 8.827 0.051 25502 10088 1 14 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.738 0.787 25502 10089 1 14 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.809 -2.034 25502 10090 1 14 . 1 1 82 82 LYS CB C 82 36.311 36.311 34.168 2.143 25502 10091 1 14 . 1 1 82 82 LYS H H 82 7.799 7.799 7.691 0.108 25502 10092 1 14 . 1 1 83 83 PHE N N 83 116.432 116.432 115.942 0.490 25502 10093 1 14 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.913 0.032 25502 10094 1 14 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.693 0.044 25502 10095 1 14 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.096 0.198 25502 10096 1 14 . 1 1 83 83 PHE H H 83 9.147 9.147 8.132 1.015 25502 10097 1 14 . 1 1 84 84 GLU N N 84 119.352 119.352 118.542 0.810 25502 10098 1 14 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.231 -0.429 25502 10099 1 14 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.600 0.597 25502 10100 1 14 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.366 -1.261 25502 10101 1 14 . 1 1 84 84 GLU H H 84 9.252 9.252 8.484 0.768 25502 10102 1 14 . 1 1 85 85 ASP N N 85 118.583 118.583 121.305 -2.722 25502 10103 1 14 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.383 -0.157 25502 10104 1 14 . 1 1 85 85 ASP CA C 85 53.974 53.974 54.891 -0.917 25502 10105 1 14 . 1 1 85 85 ASP CB C 85 40.785 40.785 42.020 -1.235 25502 10106 1 14 . 1 1 85 85 ASP H H 85 8.593 8.593 8.330 0.263 25502 10107 1 14 . 1 1 86 86 GLU N N 86 131.488 131.488 124.008 7.480 25502 10108 1 14 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.441 -0.646 25502 10109 1 14 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.639 2.634 25502 10110 1 14 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.617 0.022 25502 10111 1 14 . 1 1 86 86 GLU H H 86 9.461 9.461 8.840 0.621 25502 10112 1 14 . 1 1 87 87 ASN N N 87 106.549 106.549 112.419 -5.870 25502 10113 1 14 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.875 0.255 25502 10114 1 14 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.120 0.469 25502 10115 1 14 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.272 0.077 25502 10116 1 14 . 1 1 87 87 ASN H H 87 7.044 7.044 7.616 -0.572 25502 10117 1 14 . 1 1 88 88 PHE N N 88 112.731 112.731 114.098 -1.367 25502 10118 1 14 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.915 1.012 25502 10119 1 14 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.084 -0.397 25502 10120 1 14 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.568 0.252 25502 10121 1 14 . 1 1 88 88 PHE H H 88 8.319 8.319 7.991 0.328 25502 10122 1 14 . 1 1 89 89 ILE N N 89 119.556 119.556 120.969 -1.413 25502 10123 1 14 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.844 -0.192 25502 10124 1 14 . 1 1 89 89 ILE CA C 89 64.887 64.887 64.202 0.685 25502 10125 1 14 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.688 1.251 25502 10126 1 14 . 1 1 89 89 ILE H H 89 8.302 8.302 8.001 0.301 25502 10127 1 14 . 1 1 90 90 LEU N N 90 116.951 116.951 120.334 -3.383 25502 10128 1 14 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.371 0.085 25502 10129 1 14 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.260 0.925 25502 10130 1 14 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.685 1.224 25502 10131 1 14 . 1 1 90 90 LEU H H 90 7.746 7.746 7.843 -0.097 25502 10132 1 14 . 1 1 91 91 LYS N N 91 118.722 118.722 120.863 -2.141 25502 10133 1 14 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.076 0.552 25502 10134 1 14 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.906 -1.591 25502 10135 1 14 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.463 1.087 25502 10136 1 14 . 1 1 91 91 LYS H H 91 8.057 8.057 7.896 0.161 25502 10137 1 14 . 1 1 92 92 HIS N N 92 122.221 122.221 120.012 2.209 25502 10138 1 14 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.315 0.027 25502 10139 1 14 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.303 -0.547 25502 10140 1 14 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.719 -1.824 25502 10141 1 14 . 1 1 92 92 HIS H H 92 10.706 10.706 8.403 2.303 25502 10142 1 14 . 1 1 93 93 THR N N 93 110.178 110.178 113.949 -3.771 25502 10143 1 14 . 1 1 93 93 THR HA H 93 4.004 4.004 4.453 -0.449 25502 10144 1 14 . 1 1 93 93 THR CA C 93 63.018 63.018 60.868 2.150 25502 10145 1 14 . 1 1 93 93 THR CB C 93 69.341 69.341 69.460 -0.119 25502 10146 1 14 . 1 1 93 93 THR H H 93 7.261 7.261 7.772 -0.511 25502 10147 1 14 . 1 1 94 94 GLY N N 94 106.990 106.990 109.263 -2.273 25502 10148 1 14 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.354 1.100 25502 10149 1 14 . 1 1 94 94 GLY H H 94 7.489 7.489 7.516 -0.027 25502 10150 1 14 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.622 -0.818 25502 10151 1 14 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.675 -0.136 25502 10152 1 14 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.499 29.453 25502 10153 1 14 . 1 1 96 96 GLY N N 96 109.908 109.908 108.026 1.882 25502 10154 1 14 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.756 -0.927 25502 10155 1 14 . 1 1 96 96 GLY H H 96 9.271 9.271 8.488 0.783 25502 10156 1 14 . 1 1 97 97 ILE N N 97 121.176 121.176 120.599 0.577 25502 10157 1 14 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.428 -0.313 25502 10158 1 14 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.088 0.223 25502 10159 1 14 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.774 -1.016 25502 10160 1 14 . 1 1 97 97 ILE H H 97 6.765 6.765 7.363 -0.598 25502 10161 1 14 . 1 1 98 98 LEU N N 98 128.477 128.477 127.698 0.779 25502 10162 1 14 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.913 0.085 25502 10163 1 14 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.164 0.069 25502 10164 1 14 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.690 -1.065 25502 10165 1 14 . 1 1 98 98 LEU H H 98 7.872 7.872 8.130 -0.258 25502 10166 1 14 . 1 1 99 99 SER N N 99 118.325 118.325 116.159 2.166 25502 10167 1 14 . 1 1 99 99 SER HA H 99 5.316 5.316 4.981 0.335 25502 10168 1 14 . 1 1 99 99 SER CA C 99 54.909 54.909 57.830 -2.921 25502 10169 1 14 . 1 1 99 99 SER CB C 99 65.380 65.380 65.020 0.360 25502 10170 1 14 . 1 1 99 99 SER H H 99 8.285 8.285 8.125 0.160 25502 10171 1 14 . 1 1 100 100 MET N N 100 122.826 122.826 123.512 -0.686 25502 10172 1 14 . 1 1 100 100 MET HA H 100 5.259 5.259 4.315 0.944 25502 10173 1 14 . 1 1 100 100 MET CA C 100 53.800 53.800 56.865 -3.065 25502 10174 1 14 . 1 1 100 100 MET CB C 100 30.960 30.960 32.598 -1.638 25502 10175 1 14 . 1 1 100 100 MET H H 100 8.544 8.544 8.401 0.143 25502 10176 1 14 . 1 1 101 101 ALA N N 101 125.971 125.971 119.542 6.429 25502 10177 1 14 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.428 -0.152 25502 10178 1 14 . 1 1 101 101 ALA CA C 101 51.498 51.498 52.004 -0.506 25502 10179 1 14 . 1 1 101 101 ALA CB C 101 19.403 19.403 18.963 0.440 25502 10180 1 14 . 1 1 101 101 ALA H H 101 7.999 7.999 8.003 -0.004 25502 10181 1 14 . 1 1 102 102 ASN N N 102 113.207 113.207 118.400 -5.193 25502 10182 1 14 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.430 0.146 25502 10183 1 14 . 1 1 102 102 ASN CA C 102 53.841 53.841 55.421 -1.580 25502 10184 1 14 . 1 1 102 102 ASN CB C 102 40.379 40.379 38.467 1.912 25502 10185 1 14 . 1 1 102 102 ASN H H 102 8.097 8.097 8.425 -0.328 25502 10186 1 14 . 1 1 103 103 ALA N N 103 123.056 123.056 118.224 4.832 25502 10187 1 14 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.487 0.298 25502 10188 1 14 . 1 1 103 103 ALA CA C 103 50.154 50.154 51.917 -1.763 25502 10189 1 14 . 1 1 103 103 ALA CB C 103 19.029 19.029 18.649 0.380 25502 10190 1 14 . 1 1 103 103 ALA H H 103 8.787 8.787 7.865 0.922 25502 10191 1 14 . 1 1 104 104 GLY N N 104 108.942 108.942 108.120 0.822 25502 10192 1 14 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.125 -1.716 25502 10193 1 14 . 1 1 104 104 GLY H H 104 8.111 8.111 8.377 -0.266 25502 10194 1 14 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.279 0.048 25502 10195 1 14 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.149 0.734 25502 10196 1 14 . 1 1 105 105 PRO CB C 105 31.902 31.902 31.086 0.816 25502 10197 1 14 . 1 1 106 106 ASN N N 106 118.866 118.866 120.732 -1.866 25502 10198 1 14 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.286 -0.289 25502 10199 1 14 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.336 -0.233 25502 10200 1 14 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.375 -0.383 25502 10201 1 14 . 1 1 106 106 ASN H H 106 8.866 8.866 8.405 0.461 25502 10202 1 14 . 1 1 107 107 THR N N 107 109.971 109.971 106.715 3.256 25502 10203 1 14 . 1 1 107 107 THR HA H 107 4.434 4.434 3.736 0.698 25502 10204 1 14 . 1 1 107 107 THR CA C 107 60.040 60.040 63.330 -3.290 25502 10205 1 14 . 1 1 107 107 THR CB C 107 39.196 39.196 67.989 -28.793 25502 10206 1 14 . 1 1 107 107 THR H H 107 10.165 10.165 8.505 1.660 25502 10207 1 14 . 1 1 108 108 ASN N N 108 120.251 120.251 117.644 2.607 25502 10208 1 14 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.502 -0.287 25502 10209 1 14 . 1 1 108 108 ASN CA C 108 55.448 55.448 52.453 2.995 25502 10210 1 14 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.178 1.422 25502 10211 1 14 . 1 1 108 108 ASN H H 108 7.349 7.349 7.235 0.114 25502 10212 1 14 . 1 1 109 109 GLY N N 109 110.632 110.632 108.804 1.828 25502 10213 1 14 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.970 0.069 25502 10214 1 14 . 1 1 109 109 GLY H H 109 9.188 9.188 8.619 0.569 25502 10215 1 14 . 1 1 110 110 SER N N 110 116.806 116.806 114.294 2.512 25502 10216 1 14 . 1 1 110 110 SER HA H 110 4.698 4.698 4.435 0.263 25502 10217 1 14 . 1 1 110 110 SER CA C 110 57.454 57.454 58.470 -1.016 25502 10218 1 14 . 1 1 110 110 SER CB C 110 65.964 65.964 63.769 2.195 25502 10219 1 14 . 1 1 110 110 SER H H 110 8.738 8.738 7.594 1.144 25502 10220 1 14 . 1 1 111 111 GLN N N 111 124.263 124.263 120.058 4.205 25502 10221 1 14 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.526 0.642 25502 10222 1 14 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.321 3.173 25502 10223 1 14 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.083 2.549 25502 10224 1 14 . 1 1 111 111 GLN H H 111 8.388 8.388 8.091 0.297 25502 10225 1 14 . 1 1 112 112 PHE N N 112 117.560 117.560 116.501 1.059 25502 10226 1 14 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.393 1.321 25502 10227 1 14 . 1 1 112 112 PHE CA C 112 55.447 55.447 55.669 -0.222 25502 10228 1 14 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.091 3.909 25502 10229 1 14 . 1 1 112 112 PHE H H 112 8.058 8.058 6.722 1.336 25502 10230 1 14 . 1 1 113 113 PHE N N 113 116.199 116.199 113.211 2.988 25502 10231 1 14 . 1 1 113 113 PHE HA H 113 5.670 5.670 5.133 0.537 25502 10232 1 14 . 1 1 113 113 PHE CA C 113 54.437 54.437 55.560 -1.123 25502 10233 1 14 . 1 1 113 113 PHE CB C 113 42.617 42.617 40.817 1.800 25502 10234 1 14 . 1 1 113 113 PHE H H 113 9.795 9.795 7.553 2.242 25502 10235 1 14 . 1 1 114 114 ILE N N 114 118.391 118.391 120.406 -2.015 25502 10236 1 14 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.519 0.275 25502 10237 1 14 . 1 1 114 114 ILE CA C 114 60.060 60.060 60.513 -0.453 25502 10238 1 14 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.559 1.603 25502 10239 1 14 . 1 1 114 114 ILE H H 114 9.098 9.098 8.730 0.368 25502 10240 1 14 . 1 1 115 115 CYS N N 115 125.271 125.271 128.557 -3.286 25502 10241 1 14 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.482 0.270 25502 10242 1 14 . 1 1 115 115 CYS CA C 115 60.672 60.672 60.025 0.647 25502 10243 1 14 . 1 1 115 115 CYS CB C 115 58.569 58.569 26.789 31.780 25502 10244 1 14 . 1 1 115 115 CYS H H 115 9.597 9.597 8.435 1.162 25502 10245 1 14 . 1 1 116 116 THR N N 116 115.478 115.478 117.548 -2.070 25502 10246 1 14 . 1 1 116 116 THR HA H 116 4.324 4.324 4.127 0.197 25502 10247 1 14 . 1 1 116 116 THR CA C 116 60.720 60.720 63.220 -2.500 25502 10248 1 14 . 1 1 116 116 THR CB C 116 66.502 66.502 68.627 -2.125 25502 10249 1 14 . 1 1 116 116 THR H H 116 8.947 8.947 8.298 0.649 25502 10250 1 14 . 1 1 117 117 ALA N N 117 121.996 121.996 122.924 -0.928 25502 10251 1 14 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.483 -0.125 25502 10252 1 14 . 1 1 117 117 ALA CA C 117 50.511 50.511 50.723 -0.212 25502 10253 1 14 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.402 1.206 25502 10254 1 14 . 1 1 117 117 ALA H H 117 7.602 7.602 7.279 0.323 25502 10255 1 14 . 1 1 118 118 LYS N N 118 119.550 119.550 121.466 -1.916 25502 10256 1 14 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.950 -0.171 25502 10257 1 14 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.290 0.374 25502 10258 1 14 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.775 0.724 25502 10259 1 14 . 1 1 118 118 LYS H H 118 8.690 8.690 8.448 0.242 25502 10260 1 14 . 1 1 119 119 THR N N 119 118.759 118.759 119.078 -0.319 25502 10261 1 14 . 1 1 119 119 THR HA H 119 3.623 3.623 1.854 1.769 25502 10262 1 14 . 1 1 119 119 THR CA C 119 57.088 57.088 58.604 -1.516 25502 10263 1 14 . 1 1 119 119 THR H H 119 7.328 7.328 7.839 -0.511 25502 10264 1 14 . 1 1 120 120 GLU N N 120 124.407 124.407 122.142 2.265 25502 10265 1 14 . 1 1 120 120 GLU HA H 120 4.120 4.120 4.052 0.068 25502 10266 1 14 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.647 0.425 25502 10267 1 14 . 1 1 120 120 GLU H H 120 9.092 9.092 7.099 1.993 25502 10268 1 14 . 1 1 121 121 TRP N N 121 117.495 117.495 119.122 -1.627 25502 10269 1 14 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.459 0.194 25502 10270 1 14 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.167 1.294 25502 10271 1 14 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.114 -1.364 25502 10272 1 14 . 1 1 121 121 TRP H H 121 7.251 7.251 7.558 -0.307 25502 10273 1 14 . 1 1 122 122 LEU N N 122 119.528 119.528 120.569 -1.041 25502 10274 1 14 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.067 0.184 25502 10275 1 14 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.505 -2.006 25502 10276 1 14 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.671 -2.772 25502 10277 1 14 . 1 1 122 122 LEU H H 122 7.019 7.019 6.925 0.094 25502 10278 1 14 . 1 1 123 123 ASP N N 123 121.832 121.832 117.374 4.458 25502 10279 1 14 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.343 0.822 25502 10280 1 14 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.367 0.489 25502 10281 1 14 . 1 1 123 123 ASP CB C 123 39.372 39.372 39.254 0.118 25502 10282 1 14 . 1 1 123 123 ASP H H 123 7.607 7.607 8.117 -0.510 25502 10283 1 14 . 1 1 124 124 GLY N N 124 110.836 110.836 106.262 4.574 25502 10284 1 14 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.844 -0.821 25502 10285 1 14 . 1 1 124 124 GLY H H 124 9.522 9.522 8.630 0.892 25502 10286 1 14 . 1 1 125 125 LYS N N 125 115.016 115.016 117.890 -2.874 25502 10287 1 14 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.099 0.010 25502 10288 1 14 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.575 -0.327 25502 10289 1 14 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.407 2.982 25502 10290 1 14 . 1 1 125 125 LYS H H 125 7.727 7.727 8.411 -0.684 25502 10291 1 14 . 1 1 126 126 HIS N N 126 119.223 119.223 113.736 5.487 25502 10292 1 14 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.887 -0.088 25502 10293 1 14 . 1 1 126 126 HIS CA C 126 54.559 54.559 55.141 -0.582 25502 10294 1 14 . 1 1 126 126 HIS H H 126 7.571 7.571 7.698 -0.127 25502 10295 1 14 . 1 1 127 127 VAL N N 127 124.730 124.730 120.703 4.027 25502 10296 1 14 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.395 -0.137 25502 10297 1 14 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.015 2.632 25502 10298 1 14 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.888 -0.472 25502 10299 1 14 . 1 1 127 127 VAL H H 127 8.474 8.474 8.527 -0.053 25502 10300 1 14 . 1 1 128 128 VAL N N 128 132.814 132.814 126.984 5.830 25502 10301 1 14 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.729 -0.579 25502 10302 1 14 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.688 -1.319 25502 10303 1 14 . 1 1 128 128 VAL H H 128 9.470 9.470 8.683 0.787 25502 10304 1 14 . 1 1 129 129 PHE N N 129 117.478 117.478 121.025 -3.547 25502 10305 1 14 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.957 0.296 25502 10306 1 14 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.488 -0.581 25502 10307 1 14 . 1 1 129 129 PHE CB C 129 42.456 42.456 40.020 2.436 25502 10308 1 14 . 1 1 129 129 PHE H H 129 8.086 8.086 8.001 0.085 25502 10309 1 14 . 1 1 130 130 GLY N N 130 110.497 110.497 107.443 3.054 25502 10310 1 14 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.372 1.022 25502 10311 1 14 . 1 1 130 130 GLY H H 130 7.297 7.297 7.446 -0.149 25502 10312 1 14 . 1 1 131 131 LYS N N 131 115.059 115.059 117.346 -2.287 25502 10313 1 14 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.707 0.500 25502 10314 1 14 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.825 -1.030 25502 10315 1 14 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.541 0.311 25502 10316 1 14 . 1 1 131 131 LYS H H 131 8.353 8.353 8.253 0.100 25502 10317 1 14 . 1 1 132 132 VAL N N 132 123.802 123.802 125.989 -2.187 25502 10318 1 14 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.777 0.111 25502 10319 1 14 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.901 -0.954 25502 10320 1 14 . 1 1 132 132 VAL CB C 132 32.547 32.547 31.160 1.387 25502 10321 1 14 . 1 1 132 132 VAL H H 132 9.015 9.015 8.537 0.478 25502 10322 1 14 . 1 1 133 133 LYS N N 133 131.324 131.324 127.960 3.364 25502 10323 1 14 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.135 0.289 25502 10324 1 14 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.027 -0.368 25502 10325 1 14 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.236 0.631 25502 10326 1 14 . 1 1 133 133 LYS H H 133 9.469 9.469 8.724 0.745 25502 10327 1 14 . 1 1 134 134 GLU N N 134 118.178 118.178 116.485 1.693 25502 10328 1 14 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.368 0.191 25502 10329 1 14 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.811 -0.663 25502 10330 1 14 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.471 0.265 25502 10331 1 14 . 1 1 134 134 GLU H H 134 7.543 7.543 7.511 0.032 25502 10332 1 14 . 1 1 135 135 GLY N N 135 107.767 107.767 110.293 -2.526 25502 10333 1 14 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.147 0.720 25502 10334 1 14 . 1 1 135 135 GLY H H 135 8.693 8.693 8.712 -0.019 25502 10335 1 14 . 1 1 136 136 MET N N 136 122.307 122.307 119.163 3.144 25502 10336 1 14 . 1 1 136 136 MET HA H 136 4.437 4.437 4.031 0.406 25502 10337 1 14 . 1 1 136 136 MET CA C 136 56.659 56.659 56.928 -0.269 25502 10338 1 14 . 1 1 136 136 MET CB C 136 30.025 30.025 31.924 -1.899 25502 10339 1 14 . 1 1 136 136 MET H H 136 8.790 8.790 8.498 0.292 25502 10340 1 14 . 1 1 137 137 ASN N N 137 114.221 114.221 117.102 -2.881 25502 10341 1 14 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.416 0.034 25502 10342 1 14 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.727 0.199 25502 10343 1 14 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.429 -1.612 25502 10344 1 14 . 1 1 137 137 ASN H H 137 8.849 8.849 8.561 0.288 25502 10345 1 14 . 1 1 138 138 ILE N N 138 123.949 123.949 119.800 4.149 25502 10346 1 14 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.902 -0.152 25502 10347 1 14 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.556 -2.225 25502 10348 1 14 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.662 -2.322 25502 10349 1 14 . 1 1 138 138 ILE H H 138 7.642 7.642 8.181 -0.539 25502 10350 1 14 . 1 1 139 139 VAL N N 139 121.654 121.654 118.611 3.043 25502 10351 1 14 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.689 0.155 25502 10352 1 14 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.450 -0.419 25502 10353 1 14 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.848 0.129 25502 10354 1 14 . 1 1 139 139 VAL H H 139 7.244 7.244 7.635 -0.391 25502 10355 1 14 . 1 1 140 140 GLU N N 140 117.078 117.078 118.701 -1.623 25502 10356 1 14 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.184 -0.141 25502 10357 1 14 . 1 1 140 140 GLU CA C 140 59.162 59.162 59.266 -0.104 25502 10358 1 14 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.396 0.023 25502 10359 1 14 . 1 1 140 140 GLU H H 140 8.291 8.291 7.695 0.596 25502 10360 1 14 . 1 1 141 141 ALA N N 141 120.813 120.813 122.540 -1.727 25502 10361 1 14 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.140 -0.079 25502 10362 1 14 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.766 -0.037 25502 10363 1 14 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.476 -0.460 25502 10364 1 14 . 1 1 141 141 ALA H H 141 7.495 7.495 7.231 0.264 25502 10365 1 14 . 1 1 142 142 MET N N 142 117.301 117.301 117.633 -0.332 25502 10366 1 14 . 1 1 142 142 MET HA H 142 3.938 3.938 4.266 -0.328 25502 10367 1 14 . 1 1 142 142 MET CA C 142 59.610 59.610 59.272 0.338 25502 10368 1 14 . 1 1 142 142 MET CB C 142 33.678 33.678 32.338 1.340 25502 10369 1 14 . 1 1 142 142 MET H H 142 8.259 8.259 8.012 0.247 25502 10370 1 14 . 1 1 143 143 GLU N N 143 116.052 116.052 118.345 -2.293 25502 10371 1 14 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.085 -0.369 25502 10372 1 14 . 1 1 143 143 GLU CA C 143 59.182 59.182 58.987 0.195 25502 10373 1 14 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.569 1.702 25502 10374 1 14 . 1 1 143 143 GLU H H 143 7.832 7.832 7.967 -0.135 25502 10375 1 14 . 1 1 144 144 ARG N N 144 114.357 114.357 120.421 -6.064 25502 10376 1 14 . 1 1 144 144 ARG HA H 144 3.922 3.922 3.967 -0.045 25502 10377 1 14 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.787 -0.245 25502 10378 1 14 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.245 0.058 25502 10379 1 14 . 1 1 144 144 ARG H H 144 7.034 7.034 7.320 -0.286 25502 10380 1 14 . 1 1 145 145 PHE N N 145 115.146 115.146 117.129 -1.983 25502 10381 1 14 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.691 0.102 25502 10382 1 14 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.623 -0.009 25502 10383 1 14 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.043 -0.130 25502 10384 1 14 . 1 1 145 145 PHE H H 145 7.624 7.624 7.869 -0.245 25502 10385 1 14 . 1 1 146 146 GLY N N 146 104.498 104.498 107.199 -2.701 25502 10386 1 14 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.648 0.501 25502 10387 1 14 . 1 1 146 146 GLY H H 146 7.514 7.514 7.517 -0.003 25502 10388 1 14 . 1 1 147 147 SER N N 147 109.815 109.815 115.641 -5.826 25502 10389 1 14 . 1 1 147 147 SER HA H 147 4.755 4.755 4.762 -0.007 25502 10390 1 14 . 1 1 147 147 SER CA C 147 58.033 58.033 56.727 1.306 25502 10391 1 14 . 1 1 147 147 SER H H 147 8.190 8.190 8.033 0.157 25502 10392 1 14 . 1 1 148 148 ARG N N 148 119.789 119.789 124.892 -5.103 25502 10393 1 14 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.246 -0.079 25502 10394 1 14 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.781 2.710 25502 10395 1 14 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.582 2.080 25502 10396 1 14 . 1 1 148 148 ARG H H 148 8.795 8.795 8.874 -0.079 25502 10397 1 14 . 1 1 149 149 ASN N N 149 111.378 111.378 117.221 -5.843 25502 10398 1 14 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.753 0.081 25502 10399 1 14 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.548 -1.428 25502 10400 1 14 . 1 1 149 149 ASN CB C 149 38.241 38.241 40.778 -2.537 25502 10401 1 14 . 1 1 149 149 ASN H H 149 7.841 7.841 8.625 -0.784 25502 10402 1 14 . 1 1 150 150 GLY N N 150 109.893 109.893 109.759 0.134 25502 10403 1 14 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.788 -0.890 25502 10404 1 14 . 1 1 150 150 GLY H H 150 8.040 8.040 7.682 0.358 25502 10405 1 14 . 1 1 151 151 LYS N N 151 119.608 119.608 122.703 -3.095 25502 10406 1 14 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.480 -0.075 25502 10407 1 14 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.600 -0.555 25502 10408 1 14 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.167 -0.898 25502 10409 1 14 . 1 1 151 151 LYS H H 151 7.525 7.525 8.214 -0.689 25502 10410 1 14 . 1 1 152 152 THR N N 152 116.317 116.317 110.155 6.162 25502 10411 1 14 . 1 1 152 152 THR HA H 152 5.532 5.532 5.001 0.531 25502 10412 1 14 . 1 1 152 152 THR CA C 152 59.953 59.953 59.691 0.262 25502 10413 1 14 . 1 1 152 152 THR CB C 152 71.108 71.108 71.522 -0.414 25502 10414 1 14 . 1 1 152 152 THR H H 152 8.823 8.823 8.155 0.668 25502 10415 1 14 . 1 1 153 153 SER N N 153 116.804 116.804 117.962 -1.158 25502 10416 1 14 . 1 1 153 153 SER HA H 153 4.456 4.456 4.633 -0.177 25502 10417 1 14 . 1 1 153 153 SER CA C 153 58.712 58.712 59.757 -1.044 25502 10418 1 14 . 1 1 153 153 SER CB C 153 63.477 63.477 63.674 -0.197 25502 10419 1 14 . 1 1 153 153 SER H H 153 9.412 9.412 8.474 0.938 25502 10420 1 14 . 1 1 154 154 LYS N N 154 119.068 119.068 121.987 -2.919 25502 10421 1 14 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.087 0.445 25502 10422 1 14 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.867 -2.467 25502 10423 1 14 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.169 5.237 25502 10424 1 14 . 1 1 154 154 LYS H H 154 7.527 7.527 8.383 -0.856 25502 10425 1 14 . 1 1 155 155 LYS N N 155 121.541 121.541 120.834 0.707 25502 10426 1 14 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.548 -0.235 25502 10427 1 14 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.184 0.963 25502 10428 1 14 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.613 -0.625 25502 10429 1 14 . 1 1 155 155 LYS H H 155 8.791 8.791 8.324 0.467 25502 10430 1 14 . 1 1 156 156 ILE N N 156 133.980 133.980 129.865 4.115 25502 10431 1 14 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.138 -0.045 25502 10432 1 14 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.872 -1.608 25502 10433 1 14 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.273 -1.433 25502 10434 1 14 . 1 1 156 156 ILE H H 156 9.606 9.606 8.914 0.692 25502 10435 1 14 . 1 1 157 157 THR N N 157 116.977 116.977 121.135 -4.158 25502 10436 1 14 . 1 1 157 157 THR HA H 157 5.274 5.274 5.204 0.070 25502 10437 1 14 . 1 1 157 157 THR CA C 157 59.475 59.475 59.419 0.056 25502 10438 1 14 . 1 1 157 157 THR CB C 157 72.475 72.475 72.404 0.071 25502 10439 1 14 . 1 1 157 157 THR H H 157 9.233 9.233 8.940 0.293 25502 10440 1 14 . 1 1 158 158 ILE N N 158 121.529 121.529 121.632 -0.103 25502 10441 1 14 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.063 -0.821 25502 10442 1 14 . 1 1 158 158 ILE CA C 158 60.868 60.868 58.414 2.454 25502 10443 1 14 . 1 1 158 158 ILE CB C 158 36.790 36.790 36.517 0.273 25502 10444 1 14 . 1 1 158 158 ILE H H 158 8.580 8.580 8.280 0.300 25502 10445 1 14 . 1 1 159 159 ALA N N 159 132.313 132.313 131.972 0.341 25502 10446 1 14 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.222 -0.098 25502 10447 1 14 . 1 1 159 159 ALA CA C 159 54.073 54.073 54.010 0.063 25502 10448 1 14 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.667 -0.654 25502 10449 1 14 . 1 1 159 159 ALA H H 159 8.873 8.873 8.885 -0.012 25502 10450 1 14 . 1 1 160 160 ASP N N 160 111.257 111.257 114.513 -3.256 25502 10451 1 14 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.677 0.213 25502 10452 1 14 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.987 -1.348 25502 10453 1 14 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.498 0.089 25502 10454 1 14 . 1 1 160 160 ASP H H 160 8.066 8.066 7.711 0.355 25502 10455 1 14 . 1 1 161 161 CYS N N 161 115.837 115.837 117.075 -1.238 25502 10456 1 14 . 1 1 161 161 CYS HA H 161 4.544 4.544 2.839 1.705 25502 10457 1 14 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.546 -0.398 25502 10458 1 14 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.739 0.398 25502 10459 1 14 . 1 1 161 161 CYS H H 161 8.591 8.591 8.235 0.356 25502 10460 1 14 . 1 1 162 162 GLY N N 162 103.888 103.888 107.014 -3.126 25502 10461 1 14 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.702 0.647 25502 10462 1 14 . 1 1 162 162 GLY H H 162 6.844 6.844 6.944 -0.100 25502 10463 1 14 . 1 1 163 163 GLN N N 163 120.718 120.718 119.911 0.807 25502 10464 1 14 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.381 0.688 25502 10465 1 14 . 1 1 163 163 GLN CA C 163 54.809 54.809 57.092 -2.283 25502 10466 1 14 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.273 1.317 25502 10467 1 14 . 1 1 163 163 GLN H H 163 9.066 9.066 8.432 0.634 25502 10468 1 14 . 1 1 164 164 LEU N N 164 125.816 125.816 124.621 1.195 25502 10469 1 14 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.526 0.081 25502 10470 1 14 . 1 1 164 164 LEU CA C 164 54.739 54.739 55.534 -0.795 25502 10471 1 14 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.376 0.986 25502 10472 1 14 . 1 1 164 164 LEU H H 164 8.593 8.593 9.049 -0.456 25502 10473 1 15 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.385 -0.209 25502 10474 1 15 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.501 -1.009 25502 10475 1 15 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.373 -0.247 25502 10476 1 15 . 1 1 3 3 ASN N N 3 126.515 126.515 124.127 2.388 25502 10477 1 15 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.246 -0.109 25502 10478 1 15 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.031 -0.023 25502 10479 1 15 . 1 1 3 3 ASN CB C 3 37.799 37.799 40.508 -2.709 25502 10480 1 15 . 1 1 3 3 ASN H H 3 8.600 8.600 8.485 0.115 25502 10481 1 15 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.506 0.247 25502 10482 1 15 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.807 -0.138 25502 10483 1 15 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.578 0.560 25502 10484 1 15 . 1 1 5 5 THR N N 5 114.826 114.826 116.984 -2.158 25502 10485 1 15 . 1 1 5 5 THR HA H 5 5.716 5.716 4.985 0.731 25502 10486 1 15 . 1 1 5 5 THR CA C 5 60.698 60.698 61.383 -0.685 25502 10487 1 15 . 1 1 5 5 THR CB C 5 41.142 41.142 71.324 -30.182 25502 10488 1 15 . 1 1 5 5 THR H H 5 8.771 8.771 8.119 0.652 25502 10489 1 15 . 1 1 6 6 VAL N N 6 120.113 120.113 122.586 -2.473 25502 10490 1 15 . 1 1 6 6 VAL HA H 6 5.339 5.339 4.883 0.456 25502 10491 1 15 . 1 1 6 6 VAL CA C 6 58.797 58.797 58.686 0.111 25502 10492 1 15 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.272 0.863 25502 10493 1 15 . 1 1 6 6 VAL H H 6 8.741 8.741 8.403 0.338 25502 10494 1 15 . 1 1 7 7 PHE N N 7 118.968 118.968 116.572 2.396 25502 10495 1 15 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.307 0.588 25502 10496 1 15 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.778 -0.090 25502 10497 1 15 . 1 1 7 7 PHE CB C 7 43.043 43.043 42.733 0.311 25502 10498 1 15 . 1 1 7 7 PHE H H 7 8.954 8.954 7.556 1.398 25502 10499 1 15 . 1 1 8 8 PHE N N 8 116.774 116.774 117.508 -0.734 25502 10500 1 15 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.284 1.033 25502 10501 1 15 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.192 -3.769 25502 10502 1 15 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.371 1.499 25502 10503 1 15 . 1 1 8 8 PHE H H 8 9.540 9.540 8.167 1.373 25502 10504 1 15 . 1 1 9 9 ASP N N 9 123.959 123.959 125.178 -1.219 25502 10505 1 15 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.588 0.945 25502 10506 1 15 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.203 -0.438 25502 10507 1 15 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.165 0.148 25502 10508 1 15 . 1 1 9 9 ASP H H 9 9.266 9.266 8.215 1.051 25502 10509 1 15 . 1 1 10 10 ILE N N 10 124.122 124.122 125.415 -1.293 25502 10510 1 15 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.428 0.744 25502 10511 1 15 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.892 -2.733 25502 10512 1 15 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.410 0.293 25502 10513 1 15 . 1 1 10 10 ILE H H 10 9.030 9.030 8.211 0.819 25502 10514 1 15 . 1 1 11 11 ALA N N 11 132.244 132.244 130.070 2.174 25502 10515 1 15 . 1 1 11 11 ALA HA H 11 5.165 5.165 5.104 0.061 25502 10516 1 15 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.324 0.340 25502 10517 1 15 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.391 29.170 25502 10518 1 15 . 1 1 11 11 ALA H H 11 9.603 9.603 8.644 0.959 25502 10519 1 15 . 1 1 12 12 VAL N N 12 118.199 118.199 119.452 -1.253 25502 10520 1 15 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.802 -0.291 25502 10521 1 15 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.934 -0.507 25502 10522 1 15 . 1 1 12 12 VAL CB C 12 33.181 33.181 33.929 -0.748 25502 10523 1 15 . 1 1 12 12 VAL H H 12 8.943 8.943 8.849 0.094 25502 10524 1 15 . 1 1 13 13 ASP N N 13 130.748 130.748 129.488 1.260 25502 10525 1 15 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.246 0.074 25502 10526 1 15 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.605 0.222 25502 10527 1 15 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.336 -0.501 25502 10528 1 15 . 1 1 13 13 ASP H H 13 9.846 9.846 8.929 0.917 25502 10529 1 15 . 1 1 14 14 GLY N N 14 101.493 101.493 104.350 -2.857 25502 10530 1 15 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.958 0.124 25502 10531 1 15 . 1 1 14 14 GLY H H 14 8.558 8.558 8.634 -0.076 25502 10532 1 15 . 1 1 15 15 GLU N N 15 123.014 123.014 123.539 -0.525 25502 10533 1 15 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.700 0.136 25502 10534 1 15 . 1 1 15 15 GLU CA C 15 52.753 52.753 53.132 -0.379 25502 10535 1 15 . 1 1 15 15 GLU CB C 15 30.236 30.236 29.921 0.315 25502 10536 1 15 . 1 1 15 15 GLU H H 15 8.046 8.046 7.671 0.375 25502 10537 1 15 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.572 -0.396 25502 10538 1 15 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.952 1.594 25502 10539 1 15 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.301 29.810 25502 10540 1 15 . 1 1 17 17 LEU N N 17 125.784 125.784 123.790 1.994 25502 10541 1 15 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.173 0.514 25502 10542 1 15 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.657 -1.308 25502 10543 1 15 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.559 1.598 25502 10544 1 15 . 1 1 17 17 LEU H H 17 9.189 9.189 8.876 0.313 25502 10545 1 15 . 1 1 18 18 GLY N N 18 102.200 102.200 105.079 -2.879 25502 10546 1 15 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.678 0.291 25502 10547 1 15 . 1 1 18 18 GLY H H 18 7.256 7.256 7.436 -0.180 25502 10548 1 15 . 1 1 19 19 ARG N N 19 120.995 120.995 122.629 -1.634 25502 10549 1 15 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.850 0.772 25502 10550 1 15 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.062 -0.047 25502 10551 1 15 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.134 0.206 25502 10552 1 15 . 1 1 19 19 ARG H H 19 8.320 8.320 8.329 -0.009 25502 10553 1 15 . 1 1 20 20 VAL N N 20 126.616 126.616 125.430 1.186 25502 10554 1 15 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.860 -0.257 25502 10555 1 15 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.727 -0.786 25502 10556 1 15 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.416 2.467 25502 10557 1 15 . 1 1 20 20 VAL H H 20 9.364 9.364 8.786 0.578 25502 10558 1 15 . 1 1 21 21 SER N N 21 120.061 120.061 120.906 -0.845 25502 10559 1 15 . 1 1 21 21 SER HA H 21 5.515 5.515 5.266 0.249 25502 10560 1 15 . 1 1 21 21 SER CA C 21 55.317 55.317 55.725 -0.408 25502 10561 1 15 . 1 1 21 21 SER CB C 21 36.773 36.773 65.527 -28.754 25502 10562 1 15 . 1 1 21 21 SER H H 21 8.768 8.768 7.758 1.010 25502 10563 1 15 . 1 1 22 22 PHE N N 22 118.878 118.878 117.994 0.884 25502 10564 1 15 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.302 -0.065 25502 10565 1 15 . 1 1 22 22 PHE CA C 22 55.688 55.688 57.260 -1.572 25502 10566 1 15 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.684 -1.110 25502 10567 1 15 . 1 1 22 22 PHE H H 22 9.508 9.508 9.326 0.182 25502 10568 1 15 . 1 1 23 23 GLU N N 23 122.926 122.926 123.781 -0.855 25502 10569 1 15 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.556 0.193 25502 10570 1 15 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.916 0.033 25502 10571 1 15 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.231 1.398 25502 10572 1 15 . 1 1 23 23 GLU H H 23 8.740 8.740 9.011 -0.271 25502 10573 1 15 . 1 1 24 24 LEU N N 24 122.262 122.262 127.082 -4.820 25502 10574 1 15 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.537 0.160 25502 10575 1 15 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.718 -3.167 25502 10576 1 15 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.936 0.184 25502 10577 1 15 . 1 1 24 24 LEU H H 24 8.185 8.185 7.825 0.360 25502 10578 1 15 . 1 1 25 25 PHE N N 25 124.423 124.423 122.231 2.192 25502 10579 1 15 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.665 0.443 25502 10580 1 15 . 1 1 25 25 PHE CA C 25 54.290 54.290 56.730 -2.440 25502 10581 1 15 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.621 -0.660 25502 10582 1 15 . 1 1 25 25 PHE H H 25 8.815 8.815 9.199 -0.384 25502 10583 1 15 . 1 1 26 26 ALA N N 26 128.683 128.683 125.027 3.656 25502 10584 1 15 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.257 -0.486 25502 10585 1 15 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.473 -0.187 25502 10586 1 15 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.502 0.123 25502 10587 1 15 . 1 1 26 26 ALA H H 26 8.433 8.433 7.911 0.522 25502 10588 1 15 . 1 1 27 27 ASP N N 27 114.069 114.069 117.477 -3.408 25502 10589 1 15 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.512 -0.269 25502 10590 1 15 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.525 -1.197 25502 10591 1 15 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.078 -2.224 25502 10592 1 15 . 1 1 27 27 ASP H H 27 9.052 9.052 8.095 0.957 25502 10593 1 15 . 1 1 28 28 LYS N N 28 117.763 117.763 117.204 0.559 25502 10594 1 15 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.445 0.126 25502 10595 1 15 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.705 -0.473 25502 10596 1 15 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.507 1.415 25502 10597 1 15 . 1 1 28 28 LYS H H 28 7.545 7.545 7.840 -0.295 25502 10598 1 15 . 1 1 29 29 VAL N N 29 114.212 114.212 114.872 -0.660 25502 10599 1 15 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.677 -0.226 25502 10600 1 15 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.941 -0.852 25502 10601 1 15 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.891 -0.146 25502 10602 1 15 . 1 1 29 29 VAL H H 29 8.368 8.368 8.233 0.135 25502 10603 1 15 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.296 0.099 25502 10604 1 15 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.832 0.251 25502 10605 1 15 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.202 -0.898 25502 10606 1 15 . 1 1 31 31 LYS N N 31 123.500 123.500 118.308 5.192 25502 10607 1 15 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.020 -0.013 25502 10608 1 15 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.088 1.268 25502 10609 1 15 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.546 0.733 25502 10610 1 15 . 1 1 31 31 LYS H H 31 10.663 10.663 8.669 1.994 25502 10611 1 15 . 1 1 32 32 THR N N 32 123.707 123.707 112.087 11.620 25502 10612 1 15 . 1 1 32 32 THR HA H 32 3.988 3.988 3.935 0.053 25502 10613 1 15 . 1 1 32 32 THR CA C 32 37.678 37.678 65.164 -27.486 25502 10614 1 15 . 1 1 32 32 THR CB C 32 38.883 38.883 68.624 -29.741 25502 10615 1 15 . 1 1 32 32 THR H H 32 10.283 10.283 7.423 2.860 25502 10616 1 15 . 1 1 33 33 ALA N N 33 125.366 125.366 125.561 -0.195 25502 10617 1 15 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.148 -0.111 25502 10618 1 15 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.486 0.381 25502 10619 1 15 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.078 0.157 25502 10620 1 15 . 1 1 33 33 ALA H H 33 9.281 9.281 8.482 0.799 25502 10621 1 15 . 1 1 34 34 GLU N N 34 117.040 117.040 117.851 -0.811 25502 10622 1 15 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.938 0.571 25502 10623 1 15 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.444 -1.558 25502 10624 1 15 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.551 28.352 25502 10625 1 15 . 1 1 34 34 GLU H H 34 8.027 8.027 8.583 -0.556 25502 10626 1 15 . 1 1 35 35 ASN N N 35 115.398 115.398 118.794 -3.396 25502 10627 1 15 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.459 -0.405 25502 10628 1 15 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.540 0.091 25502 10629 1 15 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.509 0.956 25502 10630 1 15 . 1 1 35 35 ASN H H 35 7.139 7.139 7.960 -0.821 25502 10631 1 15 . 1 1 36 36 PHE N N 36 117.607 117.607 120.570 -2.963 25502 10632 1 15 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.268 -0.159 25502 10633 1 15 . 1 1 36 36 PHE CA C 36 61.391 61.391 61.147 0.244 25502 10634 1 15 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.217 0.796 25502 10635 1 15 . 1 1 36 36 PHE H H 36 7.012 7.012 7.697 -0.685 25502 10636 1 15 . 1 1 37 37 ARG N N 37 120.804 120.804 119.782 1.022 25502 10637 1 15 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.977 -0.345 25502 10638 1 15 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.618 0.763 25502 10639 1 15 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.300 -0.440 25502 10640 1 15 . 1 1 37 37 ARG H H 37 8.935 8.935 8.740 0.195 25502 10641 1 15 . 1 1 38 38 ALA N N 38 118.869 118.869 122.459 -3.590 25502 10642 1 15 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.200 -0.131 25502 10643 1 15 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.028 -0.688 25502 10644 1 15 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.318 -0.083 25502 10645 1 15 . 1 1 38 38 ALA H H 38 8.687 8.687 8.186 0.501 25502 10646 1 15 . 1 1 39 39 LEU N N 39 120.488 120.488 118.502 1.986 25502 10647 1 15 . 1 1 39 39 LEU HA H 39 3.744 3.744 4.046 -0.302 25502 10648 1 15 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.427 -0.312 25502 10649 1 15 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.032 -1.006 25502 10650 1 15 . 1 1 39 39 LEU H H 39 8.173 8.173 7.804 0.369 25502 10651 1 15 . 1 1 40 40 SER N N 40 118.952 118.952 114.322 4.630 25502 10652 1 15 . 1 1 40 40 SER HA H 40 4.444 4.444 3.922 0.522 25502 10653 1 15 . 1 1 40 40 SER CA C 40 62.334 62.334 61.863 0.471 25502 10654 1 15 . 1 1 40 40 SER CB C 40 62.884 62.884 62.846 0.038 25502 10655 1 15 . 1 1 40 40 SER H H 40 7.900 7.900 8.185 -0.285 25502 10656 1 15 . 1 1 41 41 THR N N 41 108.208 108.208 112.552 -4.344 25502 10657 1 15 . 1 1 41 41 THR HA H 41 4.288 4.288 4.110 0.178 25502 10658 1 15 . 1 1 41 41 THR CA C 41 62.810 62.810 64.663 -1.853 25502 10659 1 15 . 1 1 41 41 THR CB C 41 69.221 69.221 69.424 -0.203 25502 10660 1 15 . 1 1 41 41 THR H H 41 7.974 7.974 8.242 -0.268 25502 10661 1 15 . 1 1 42 42 GLY N N 42 108.122 108.122 109.147 -1.025 25502 10662 1 15 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.225 0.532 25502 10663 1 15 . 1 1 42 42 GLY H H 42 7.582 7.582 7.949 -0.367 25502 10664 1 15 . 1 1 43 43 GLU N N 43 118.454 118.454 122.124 -3.670 25502 10665 1 15 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.983 0.137 25502 10666 1 15 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.744 -0.387 25502 10667 1 15 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.132 0.810 25502 10668 1 15 . 1 1 43 43 GLU H H 43 8.009 8.009 7.850 0.159 25502 10669 1 15 . 1 1 44 44 LYS N N 44 118.055 118.055 118.833 -0.778 25502 10670 1 15 . 1 1 44 44 LYS HA H 44 4.281 4.281 4.194 0.087 25502 10671 1 15 . 1 1 44 44 LYS CA C 44 54.120 54.120 56.734 -2.614 25502 10672 1 15 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.800 -2.504 25502 10673 1 15 . 1 1 44 44 LYS H H 44 9.102 9.102 7.702 1.400 25502 10674 1 15 . 1 1 45 45 GLY N N 45 105.305 105.305 105.919 -0.614 25502 10675 1 15 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.205 -0.674 25502 10676 1 15 . 1 1 45 45 GLY H H 45 7.939 7.939 8.128 -0.189 25502 10677 1 15 . 1 1 46 46 PHE N N 46 113.461 113.461 115.470 -2.009 25502 10678 1 15 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.974 -0.350 25502 10679 1 15 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.627 -1.746 25502 10680 1 15 . 1 1 46 46 PHE CB C 46 39.468 39.468 40.050 -0.582 25502 10681 1 15 . 1 1 46 46 PHE H H 46 6.413 6.413 7.429 -1.016 25502 10682 1 15 . 1 1 47 47 GLY N N 47 104.416 104.416 107.201 -2.785 25502 10683 1 15 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.908 0.549 25502 10684 1 15 . 1 1 47 47 GLY H H 47 7.686 7.686 8.480 -0.794 25502 10685 1 15 . 1 1 48 48 TYR N N 48 113.530 113.530 121.319 -7.789 25502 10686 1 15 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.169 0.039 25502 10687 1 15 . 1 1 48 48 TYR CA C 48 57.039 57.039 56.958 0.081 25502 10688 1 15 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.019 -0.600 25502 10689 1 15 . 1 1 48 48 TYR H H 48 6.887 6.887 8.227 -1.340 25502 10690 1 15 . 1 1 49 49 LYS N N 49 124.631 124.631 121.904 2.727 25502 10691 1 15 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.467 -0.872 25502 10692 1 15 . 1 1 49 49 LYS CA C 49 60.882 60.882 56.428 4.454 25502 10693 1 15 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.506 -1.338 25502 10694 1 15 . 1 1 49 49 LYS H H 49 8.474 8.474 7.732 0.742 25502 10695 1 15 . 1 1 50 50 GLY N N 50 117.591 117.591 114.839 2.752 25502 10696 1 15 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.513 -0.472 25502 10697 1 15 . 1 1 50 50 GLY H H 50 9.482 9.482 9.058 0.424 25502 10698 1 15 . 1 1 51 51 SER N N 51 116.156 116.156 115.460 0.696 25502 10699 1 15 . 1 1 51 51 SER HA H 51 4.658 4.658 4.742 -0.084 25502 10700 1 15 . 1 1 51 51 SER CA C 51 58.682 58.682 57.257 1.425 25502 10701 1 15 . 1 1 51 51 SER CB C 51 64.607 64.607 66.198 -1.591 25502 10702 1 15 . 1 1 51 51 SER H H 51 8.397 8.397 7.828 0.569 25502 10703 1 15 . 1 1 52 52 CYS N N 52 114.800 114.800 123.386 -8.586 25502 10704 1 15 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.419 1.476 25502 10705 1 15 . 1 1 52 52 CYS CA C 52 55.965 55.965 60.593 -4.628 25502 10706 1 15 . 1 1 52 52 CYS CB C 52 31.719 31.719 28.266 3.453 25502 10707 1 15 . 1 1 52 52 CYS H H 52 9.858 9.858 8.994 0.864 25502 10708 1 15 . 1 1 53 53 PHE N N 53 122.839 122.839 122.607 0.232 25502 10709 1 15 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.529 0.324 25502 10710 1 15 . 1 1 53 53 PHE CA C 53 58.083 58.083 59.985 -1.902 25502 10711 1 15 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.627 -1.899 25502 10712 1 15 . 1 1 53 53 PHE H H 53 8.702 8.702 8.136 0.566 25502 10713 1 15 . 1 1 54 54 HIS N N 54 119.944 119.944 118.996 0.948 25502 10714 1 15 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.755 -0.049 25502 10715 1 15 . 1 1 54 54 HIS CA C 54 56.985 56.985 56.385 0.600 25502 10716 1 15 . 1 1 54 54 HIS CB C 54 31.344 31.344 33.114 -1.770 25502 10717 1 15 . 1 1 54 54 HIS H H 54 7.623 7.623 7.645 -0.022 25502 10718 1 15 . 1 1 55 55 ARG N N 55 122.758 122.758 117.880 4.878 25502 10719 1 15 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.619 0.480 25502 10720 1 15 . 1 1 55 55 ARG CA C 55 54.703 54.703 55.041 -0.339 25502 10721 1 15 . 1 1 55 55 ARG CB C 55 33.771 33.771 34.636 -0.865 25502 10722 1 15 . 1 1 55 55 ARG H H 55 7.031 7.031 7.693 -0.662 25502 10723 1 15 . 1 1 56 56 ILE N N 56 126.170 126.170 122.013 4.157 25502 10724 1 15 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.466 0.123 25502 10725 1 15 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.309 0.142 25502 10726 1 15 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.667 -0.035 25502 10727 1 15 . 1 1 56 56 ILE H H 56 9.166 9.166 8.389 0.777 25502 10728 1 15 . 1 1 57 57 ILE N N 57 127.731 127.731 126.040 1.691 25502 10729 1 15 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.935 0.262 25502 10730 1 15 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.636 -0.022 25502 10731 1 15 . 1 1 57 57 ILE CB C 57 40.015 40.015 40.145 -0.130 25502 10732 1 15 . 1 1 57 57 ILE H H 57 8.718 8.718 8.311 0.407 25502 10733 1 15 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.522 -0.198 25502 10734 1 15 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.156 -0.207 25502 10735 1 15 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.030 1.881 25502 10736 1 15 . 1 1 59 59 GLY N N 59 113.877 113.877 109.799 4.078 25502 10737 1 15 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.492 -0.314 25502 10738 1 15 . 1 1 59 59 GLY H H 59 9.679 9.679 8.072 1.607 25502 10739 1 15 . 1 1 60 60 PHE N N 60 118.955 118.955 122.174 -3.219 25502 10740 1 15 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.907 0.186 25502 10741 1 15 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.476 -1.731 25502 10742 1 15 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.031 -3.338 25502 10743 1 15 . 1 1 60 60 PHE H H 60 8.095 8.095 7.937 0.158 25502 10744 1 15 . 1 1 61 61 MET N N 61 110.963 110.963 111.587 -0.624 25502 10745 1 15 . 1 1 61 61 MET HA H 61 5.311 5.311 4.837 0.474 25502 10746 1 15 . 1 1 61 61 MET CA C 61 54.802 54.802 55.279 -0.477 25502 10747 1 15 . 1 1 61 61 MET CB C 61 34.892 34.892 33.702 1.190 25502 10748 1 15 . 1 1 61 61 MET H H 61 8.088 8.088 7.923 0.165 25502 10749 1 15 . 1 1 62 62 CYS N N 62 114.627 114.627 118.715 -4.088 25502 10750 1 15 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.720 0.153 25502 10751 1 15 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.255 0.080 25502 10752 1 15 . 1 1 62 62 CYS CB C 62 60.060 60.060 29.475 30.585 25502 10753 1 15 . 1 1 62 62 CYS H H 62 8.474 8.474 8.601 -0.127 25502 10754 1 15 . 1 1 63 63 GLN N N 63 126.463 126.463 117.973 8.490 25502 10755 1 15 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.673 0.703 25502 10756 1 15 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.997 -1.473 25502 10757 1 15 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.181 -1.781 25502 10758 1 15 . 1 1 63 63 GLN H H 63 9.651 9.651 8.770 0.881 25502 10759 1 15 . 1 1 64 64 GLY N N 64 110.531 110.531 113.381 -2.850 25502 10760 1 15 . 1 1 64 64 GLY CA C 64 44.400 44.400 44.493 -0.093 25502 10761 1 15 . 1 1 64 64 GLY H H 64 7.352 7.352 8.536 -1.184 25502 10762 1 15 . 1 1 65 65 GLY N N 65 105.572 105.572 107.937 -2.365 25502 10763 1 15 . 1 1 65 65 GLY CA C 65 46.425 46.425 45.145 1.280 25502 10764 1 15 . 1 1 65 65 GLY H H 65 9.292 9.292 7.611 1.681 25502 10765 1 15 . 1 1 66 66 ASP N N 66 123.656 123.656 123.033 0.623 25502 10766 1 15 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.421 -0.131 25502 10767 1 15 . 1 1 66 66 ASP CA C 66 51.505 51.505 54.401 -2.896 25502 10768 1 15 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.031 -3.329 25502 10769 1 15 . 1 1 66 66 ASP H H 66 9.910 9.910 8.502 1.408 25502 10770 1 15 . 1 1 67 67 PHE N N 67 115.914 115.914 118.066 -2.152 25502 10771 1 15 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.812 -0.215 25502 10772 1 15 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.420 -0.636 25502 10773 1 15 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.465 -0.108 25502 10774 1 15 . 1 1 67 67 PHE H H 67 6.624 6.624 7.589 -0.965 25502 10775 1 15 . 1 1 68 68 THR N N 68 108.853 108.853 113.183 -4.330 25502 10776 1 15 . 1 1 68 68 THR HA H 68 4.638 4.638 4.301 0.337 25502 10777 1 15 . 1 1 68 68 THR CA C 68 61.621 61.621 61.688 -0.067 25502 10778 1 15 . 1 1 68 68 THR CB C 68 68.789 68.789 69.260 -0.471 25502 10779 1 15 . 1 1 68 68 THR H H 68 7.320 7.320 7.621 -0.301 25502 10780 1 15 . 1 1 69 69 ARG N N 69 121.780 121.780 123.625 -1.845 25502 10781 1 15 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.221 0.141 25502 10782 1 15 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.462 -1.434 25502 10783 1 15 . 1 1 69 69 ARG CB C 69 61.533 61.533 28.191 33.342 25502 10784 1 15 . 1 1 69 69 ARG H H 69 8.655 8.655 8.533 0.122 25502 10785 1 15 . 1 1 70 70 HIS N N 70 112.009 112.009 118.368 -6.359 25502 10786 1 15 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.597 -0.199 25502 10787 1 15 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.906 0.229 25502 10788 1 15 . 1 1 70 70 HIS CB C 70 58.434 58.434 31.729 26.705 25502 10789 1 15 . 1 1 70 70 HIS H H 70 6.838 6.838 8.121 -1.283 25502 10790 1 15 . 1 1 71 71 ASN N N 71 112.340 112.340 118.121 -5.781 25502 10791 1 15 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.727 -0.132 25502 10792 1 15 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.130 -0.970 25502 10793 1 15 . 1 1 71 71 ASN CB C 71 38.707 38.707 40.401 -1.694 25502 10794 1 15 . 1 1 71 71 ASN H H 71 7.519 7.519 8.147 -0.628 25502 10795 1 15 . 1 1 72 72 GLY N N 72 110.239 110.239 107.396 2.843 25502 10796 1 15 . 1 1 72 72 GLY CA C 72 44.573 44.573 44.440 0.133 25502 10797 1 15 . 1 1 72 72 GLY H H 72 9.619 9.619 7.600 2.019 25502 10798 1 15 . 1 1 73 73 THR N N 73 111.802 111.802 114.458 -2.656 25502 10799 1 15 . 1 1 73 73 THR HA H 73 4.487 4.487 3.987 0.500 25502 10800 1 15 . 1 1 73 73 THR CA C 73 62.070 62.070 62.556 -0.485 25502 10801 1 15 . 1 1 73 73 THR CB C 73 40.762 40.762 68.552 -27.790 25502 10802 1 15 . 1 1 73 73 THR H H 73 7.930 7.930 8.449 -0.519 25502 10803 1 15 . 1 1 74 74 GLY N N 74 113.668 113.668 106.637 7.031 25502 10804 1 15 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.573 0.335 25502 10805 1 15 . 1 1 74 74 GLY H H 74 8.669 8.669 7.830 0.839 25502 10806 1 15 . 1 1 75 75 GLY N N 75 108.813 108.813 107.245 1.568 25502 10807 1 15 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.715 -1.678 25502 10808 1 15 . 1 1 75 75 GLY H H 75 8.066 8.066 7.416 0.650 25502 10809 1 15 . 1 1 76 76 LYS N N 76 115.526 115.526 122.678 -7.152 25502 10810 1 15 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.450 0.135 25502 10811 1 15 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.548 1.159 25502 10812 1 15 . 1 1 76 76 LYS CB C 76 34.515 34.515 35.286 -0.771 25502 10813 1 15 . 1 1 76 76 LYS H H 76 6.981 6.981 8.171 -1.190 25502 10814 1 15 . 1 1 77 77 SER N N 77 114.105 114.105 114.953 -0.848 25502 10815 1 15 . 1 1 77 77 SER HA H 77 5.185 5.185 4.577 0.608 25502 10816 1 15 . 1 1 77 77 SER CA C 77 56.816 56.816 58.476 -1.660 25502 10817 1 15 . 1 1 77 77 SER CB C 77 38.963 38.963 63.684 -24.721 25502 10818 1 15 . 1 1 78 78 ILE N N 78 110.963 110.963 116.142 -5.179 25502 10819 1 15 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.399 -0.229 25502 10820 1 15 . 1 1 78 78 ILE CA C 78 63.517 63.517 61.724 1.792 25502 10821 1 15 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.843 -0.535 25502 10822 1 15 . 1 1 78 78 ILE H H 78 8.557 8.557 8.827 -0.270 25502 10823 1 15 . 1 1 79 79 TYR N N 79 120.472 120.472 120.318 0.154 25502 10824 1 15 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.788 -0.121 25502 10825 1 15 . 1 1 79 79 TYR CA C 79 56.147 56.147 56.588 -0.441 25502 10826 1 15 . 1 1 79 79 TYR CB C 79 38.725 38.725 37.672 1.053 25502 10827 1 15 . 1 1 79 79 TYR H H 79 8.007 8.007 7.782 0.225 25502 10828 1 15 . 1 1 80 80 GLY N N 80 106.402 106.402 108.550 -2.148 25502 10829 1 15 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.374 -1.626 25502 10830 1 15 . 1 1 80 80 GLY H H 80 7.115 7.115 7.992 -0.877 25502 10831 1 15 . 1 1 81 81 GLU N N 81 122.838 122.838 122.754 0.084 25502 10832 1 15 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.486 -0.540 25502 10833 1 15 . 1 1 81 81 GLU CA C 81 60.138 60.138 56.618 3.520 25502 10834 1 15 . 1 1 81 81 GLU CB C 81 30.108 30.108 31.287 -1.179 25502 10835 1 15 . 1 1 81 81 GLU H H 81 8.878 8.878 8.692 0.186 25502 10836 1 15 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.920 1.605 25502 10837 1 15 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.608 -1.833 25502 10838 1 15 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.751 2.560 25502 10839 1 15 . 1 1 82 82 LYS H H 82 7.799 7.799 7.690 0.109 25502 10840 1 15 . 1 1 83 83 PHE N N 83 116.432 116.432 114.699 1.733 25502 10841 1 15 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.881 0.064 25502 10842 1 15 . 1 1 83 83 PHE CA C 83 55.737 55.737 54.724 1.013 25502 10843 1 15 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.029 0.265 25502 10844 1 15 . 1 1 83 83 PHE H H 83 9.147 9.147 8.070 1.077 25502 10845 1 15 . 1 1 84 84 GLU N N 84 119.352 119.352 119.854 -0.502 25502 10846 1 15 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.252 -0.450 25502 10847 1 15 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.764 0.433 25502 10848 1 15 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.539 -1.434 25502 10849 1 15 . 1 1 84 84 GLU H H 84 9.252 9.252 8.479 0.773 25502 10850 1 15 . 1 1 85 85 ASP N N 85 118.583 118.583 120.606 -2.023 25502 10851 1 15 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.548 -0.322 25502 10852 1 15 . 1 1 85 85 ASP CA C 85 53.974 53.974 54.851 -0.877 25502 10853 1 15 . 1 1 85 85 ASP CB C 85 40.785 40.785 42.026 -1.241 25502 10854 1 15 . 1 1 85 85 ASP H H 85 8.593 8.593 8.665 -0.072 25502 10855 1 15 . 1 1 86 86 GLU N N 86 131.488 131.488 124.028 7.460 25502 10856 1 15 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.184 -0.389 25502 10857 1 15 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.344 2.929 25502 10858 1 15 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.330 1.309 25502 10859 1 15 . 1 1 86 86 GLU H H 86 9.461 9.461 8.808 0.653 25502 10860 1 15 . 1 1 87 87 ASN N N 87 106.549 106.549 113.172 -6.623 25502 10861 1 15 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.933 0.197 25502 10862 1 15 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.673 0.916 25502 10863 1 15 . 1 1 87 87 ASN CB C 87 39.349 39.349 40.180 -0.831 25502 10864 1 15 . 1 1 87 87 ASN H H 87 7.044 7.044 7.602 -0.558 25502 10865 1 15 . 1 1 88 88 PHE N N 88 112.731 112.731 115.123 -2.392 25502 10866 1 15 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.916 1.011 25502 10867 1 15 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.145 -0.457 25502 10868 1 15 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.658 0.162 25502 10869 1 15 . 1 1 88 88 PHE H H 88 8.319 8.319 7.875 0.444 25502 10870 1 15 . 1 1 89 89 ILE N N 89 119.556 119.556 121.695 -2.139 25502 10871 1 15 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.837 -0.185 25502 10872 1 15 . 1 1 89 89 ILE CA C 89 64.887 64.887 64.043 0.844 25502 10873 1 15 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.751 1.188 25502 10874 1 15 . 1 1 89 89 ILE H H 89 8.302 8.302 7.995 0.307 25502 10875 1 15 . 1 1 90 90 LEU N N 90 116.951 116.951 120.685 -3.734 25502 10876 1 15 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.344 0.112 25502 10877 1 15 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.304 0.881 25502 10878 1 15 . 1 1 90 90 LEU CB C 90 41.910 41.910 41.013 0.897 25502 10879 1 15 . 1 1 90 90 LEU H H 90 7.746 7.746 7.779 -0.033 25502 10880 1 15 . 1 1 91 91 LYS N N 91 118.722 118.722 122.095 -3.373 25502 10881 1 15 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.175 0.453 25502 10882 1 15 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.626 -1.311 25502 10883 1 15 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.819 0.731 25502 10884 1 15 . 1 1 91 91 LYS H H 91 8.057 8.057 8.157 -0.100 25502 10885 1 15 . 1 1 92 92 HIS N N 92 122.221 122.221 121.782 0.439 25502 10886 1 15 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.357 -0.015 25502 10887 1 15 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.759 -0.003 25502 10888 1 15 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.737 -1.842 25502 10889 1 15 . 1 1 92 92 HIS H H 92 10.706 10.706 8.455 2.251 25502 10890 1 15 . 1 1 93 93 THR N N 93 110.178 110.178 116.829 -6.651 25502 10891 1 15 . 1 1 93 93 THR HA H 93 4.004 4.004 4.205 -0.201 25502 10892 1 15 . 1 1 93 93 THR CA C 93 63.018 63.018 62.858 0.160 25502 10893 1 15 . 1 1 93 93 THR CB C 93 69.341 69.341 69.890 -0.549 25502 10894 1 15 . 1 1 93 93 THR H H 93 7.261 7.261 7.880 -0.619 25502 10895 1 15 . 1 1 94 94 GLY N N 94 106.990 106.990 108.881 -1.891 25502 10896 1 15 . 1 1 94 94 GLY CA C 94 45.454 45.454 43.571 1.883 25502 10897 1 15 . 1 1 94 94 GLY H H 94 7.489 7.489 7.861 -0.372 25502 10898 1 15 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.257 -0.453 25502 10899 1 15 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.807 -0.268 25502 10900 1 15 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.623 29.329 25502 10901 1 15 . 1 1 96 96 GLY N N 96 109.908 109.908 106.965 2.943 25502 10902 1 15 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.677 -0.848 25502 10903 1 15 . 1 1 96 96 GLY H H 96 9.271 9.271 8.855 0.416 25502 10904 1 15 . 1 1 97 97 ILE N N 97 121.176 121.176 120.631 0.545 25502 10905 1 15 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.348 -0.233 25502 10906 1 15 . 1 1 97 97 ILE CA C 97 59.311 59.311 60.109 -0.798 25502 10907 1 15 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.054 -0.296 25502 10908 1 15 . 1 1 97 97 ILE H H 97 6.765 6.765 7.414 -0.649 25502 10909 1 15 . 1 1 98 98 LEU N N 98 128.477 128.477 127.012 1.465 25502 10910 1 15 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.711 0.287 25502 10911 1 15 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.797 -0.564 25502 10912 1 15 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.638 -1.013 25502 10913 1 15 . 1 1 98 98 LEU H H 98 7.872 7.872 8.517 -0.645 25502 10914 1 15 . 1 1 99 99 SER N N 99 118.325 118.325 115.753 2.572 25502 10915 1 15 . 1 1 99 99 SER HA H 99 5.316 5.316 4.878 0.438 25502 10916 1 15 . 1 1 99 99 SER CA C 99 54.909 54.909 56.723 -1.814 25502 10917 1 15 . 1 1 99 99 SER CB C 99 65.380 65.380 65.868 -0.488 25502 10918 1 15 . 1 1 99 99 SER H H 99 8.285 8.285 8.499 -0.214 25502 10919 1 15 . 1 1 100 100 MET N N 100 122.826 122.826 121.060 1.766 25502 10920 1 15 . 1 1 100 100 MET HA H 100 5.259 5.259 4.514 0.745 25502 10921 1 15 . 1 1 100 100 MET CA C 100 53.800 53.800 53.703 0.097 25502 10922 1 15 . 1 1 100 100 MET CB C 100 30.960 30.960 32.448 -1.488 25502 10923 1 15 . 1 1 100 100 MET H H 100 8.544 8.544 8.203 0.341 25502 10924 1 15 . 1 1 101 101 ALA N N 101 125.971 125.971 129.092 -3.121 25502 10925 1 15 . 1 1 101 101 ALA HA H 101 4.276 4.276 3.423 0.853 25502 10926 1 15 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.884 -0.386 25502 10927 1 15 . 1 1 101 101 ALA CB C 101 19.403 19.403 16.993 2.410 25502 10928 1 15 . 1 1 101 101 ALA H H 101 7.999 7.999 8.371 -0.372 25502 10929 1 15 . 1 1 102 102 ASN N N 102 113.207 113.207 120.174 -6.967 25502 10930 1 15 . 1 1 102 102 ASN HA H 102 4.576 4.576 5.061 -0.485 25502 10931 1 15 . 1 1 102 102 ASN CA C 102 53.841 53.841 51.755 2.086 25502 10932 1 15 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.789 0.590 25502 10933 1 15 . 1 1 102 102 ASN H H 102 8.097 8.097 7.649 0.448 25502 10934 1 15 . 1 1 103 103 ALA N N 103 123.056 123.056 120.478 2.578 25502 10935 1 15 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.370 0.415 25502 10936 1 15 . 1 1 103 103 ALA CA C 103 50.154 50.154 53.628 -3.474 25502 10937 1 15 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.353 -0.324 25502 10938 1 15 . 1 1 103 103 ALA H H 103 8.787 8.787 8.761 0.026 25502 10939 1 15 . 1 1 104 104 GLY N N 104 108.942 108.942 106.261 2.681 25502 10940 1 15 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.019 -1.610 25502 10941 1 15 . 1 1 104 104 GLY H H 104 8.111 8.111 8.638 -0.527 25502 10942 1 15 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.426 -0.099 25502 10943 1 15 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.162 0.721 25502 10944 1 15 . 1 1 105 105 PRO CB C 105 31.902 31.902 29.988 1.914 25502 10945 1 15 . 1 1 106 106 ASN N N 106 118.866 118.866 121.144 -2.278 25502 10946 1 15 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.396 -0.399 25502 10947 1 15 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.556 -0.453 25502 10948 1 15 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.394 -0.402 25502 10949 1 15 . 1 1 106 106 ASN H H 106 8.866 8.866 8.193 0.673 25502 10950 1 15 . 1 1 107 107 THR N N 107 109.971 109.971 107.036 2.935 25502 10951 1 15 . 1 1 107 107 THR HA H 107 4.434 4.434 3.985 0.449 25502 10952 1 15 . 1 1 107 107 THR CA C 107 60.040 60.040 63.557 -3.517 25502 10953 1 15 . 1 1 107 107 THR CB C 107 39.196 39.196 67.965 -28.769 25502 10954 1 15 . 1 1 107 107 THR H H 107 10.165 10.165 8.610 1.555 25502 10955 1 15 . 1 1 108 108 ASN N N 108 120.251 120.251 118.668 1.583 25502 10956 1 15 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.537 -0.322 25502 10957 1 15 . 1 1 108 108 ASN CA C 108 55.448 55.448 55.526 -0.078 25502 10958 1 15 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.211 1.389 25502 10959 1 15 . 1 1 108 108 ASN H H 108 7.349 7.349 8.114 -0.765 25502 10960 1 15 . 1 1 109 109 GLY N N 109 110.632 110.632 107.707 2.925 25502 10961 1 15 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.931 0.108 25502 10962 1 15 . 1 1 109 109 GLY H H 109 9.188 9.188 8.606 0.582 25502 10963 1 15 . 1 1 110 110 SER N N 110 116.806 116.806 116.234 0.572 25502 10964 1 15 . 1 1 110 110 SER HA H 110 4.698 4.698 4.249 0.449 25502 10965 1 15 . 1 1 110 110 SER CA C 110 57.454 57.454 58.386 -0.932 25502 10966 1 15 . 1 1 110 110 SER CB C 110 65.964 65.964 62.276 3.688 25502 10967 1 15 . 1 1 110 110 SER H H 110 8.738 8.738 8.634 0.104 25502 10968 1 15 . 1 1 111 111 GLN N N 111 124.263 124.263 117.196 7.067 25502 10969 1 15 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.680 0.488 25502 10970 1 15 . 1 1 111 111 GLN CA C 111 57.494 57.494 55.237 2.257 25502 10971 1 15 . 1 1 111 111 GLN CB C 111 31.632 31.632 30.344 1.288 25502 10972 1 15 . 1 1 111 111 GLN H H 111 8.388 8.388 8.478 -0.090 25502 10973 1 15 . 1 1 112 112 PHE N N 112 117.560 117.560 117.676 -0.116 25502 10974 1 15 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.948 1.766 25502 10975 1 15 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.196 -2.749 25502 10976 1 15 . 1 1 112 112 PHE CB C 112 43.000 43.000 38.070 4.930 25502 10977 1 15 . 1 1 112 112 PHE H H 112 8.058 8.058 7.386 0.672 25502 10978 1 15 . 1 1 113 113 PHE N N 113 116.199 116.199 119.488 -3.289 25502 10979 1 15 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.025 1.645 25502 10980 1 15 . 1 1 113 113 PHE CA C 113 54.437 54.437 53.972 0.465 25502 10981 1 15 . 1 1 113 113 PHE CB C 113 42.617 42.617 38.102 4.515 25502 10982 1 15 . 1 1 113 113 PHE H H 113 9.795 9.795 8.018 1.777 25502 10983 1 15 . 1 1 114 114 ILE N N 114 118.391 118.391 120.950 -2.559 25502 10984 1 15 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.643 1.151 25502 10985 1 15 . 1 1 114 114 ILE CA C 114 60.060 60.060 62.904 -2.844 25502 10986 1 15 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.951 2.211 25502 10987 1 15 . 1 1 114 114 ILE H H 114 9.098 9.098 6.644 2.454 25502 10988 1 15 . 1 1 115 115 CYS N N 115 125.271 125.271 127.818 -2.547 25502 10989 1 15 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.473 0.279 25502 10990 1 15 . 1 1 115 115 CYS CA C 115 60.672 60.672 57.982 2.690 25502 10991 1 15 . 1 1 115 115 CYS CB C 115 58.569 58.569 28.224 30.345 25502 10992 1 15 . 1 1 115 115 CYS H H 115 9.597 9.597 8.264 1.333 25502 10993 1 15 . 1 1 116 116 THR N N 116 115.478 115.478 115.910 -0.432 25502 10994 1 15 . 1 1 116 116 THR HA H 116 4.324 4.324 4.256 0.068 25502 10995 1 15 . 1 1 116 116 THR CA C 116 60.720 60.720 61.757 -1.037 25502 10996 1 15 . 1 1 116 116 THR CB C 116 66.502 66.502 68.368 -1.866 25502 10997 1 15 . 1 1 116 116 THR H H 116 8.947 8.947 8.643 0.304 25502 10998 1 15 . 1 1 117 117 ALA N N 117 121.996 121.996 122.486 -0.490 25502 10999 1 15 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.349 0.009 25502 11000 1 15 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.740 -1.229 25502 11001 1 15 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.912 1.696 25502 11002 1 15 . 1 1 117 117 ALA H H 117 7.602 7.602 7.271 0.331 25502 11003 1 15 . 1 1 118 118 LYS N N 118 119.550 119.550 122.347 -2.797 25502 11004 1 15 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.952 -0.173 25502 11005 1 15 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.422 0.242 25502 11006 1 15 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.638 0.861 25502 11007 1 15 . 1 1 118 118 LYS H H 118 8.690 8.690 8.376 0.314 25502 11008 1 15 . 1 1 119 119 THR N N 119 118.759 118.759 119.023 -0.264 25502 11009 1 15 . 1 1 119 119 THR HA H 119 3.623 3.623 1.844 1.779 25502 11010 1 15 . 1 1 119 119 THR CA C 119 57.088 57.088 58.712 -1.624 25502 11011 1 15 . 1 1 119 119 THR H H 119 7.328 7.328 7.806 -0.478 25502 11012 1 15 . 1 1 120 120 GLU N N 120 124.407 124.407 121.975 2.432 25502 11013 1 15 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.957 0.163 25502 11014 1 15 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.528 0.544 25502 11015 1 15 . 1 1 120 120 GLU H H 120 9.092 9.092 7.092 2.000 25502 11016 1 15 . 1 1 121 121 TRP N N 121 117.495 117.495 119.235 -1.740 25502 11017 1 15 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.401 0.252 25502 11018 1 15 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.120 1.341 25502 11019 1 15 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.301 -1.551 25502 11020 1 15 . 1 1 121 121 TRP H H 121 7.251 7.251 7.447 -0.196 25502 11021 1 15 . 1 1 122 122 LEU N N 122 119.528 119.528 119.130 0.398 25502 11022 1 15 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.003 0.248 25502 11023 1 15 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.635 -2.135 25502 11024 1 15 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.496 -2.598 25502 11025 1 15 . 1 1 122 122 LEU H H 122 7.019 7.019 6.809 0.210 25502 11026 1 15 . 1 1 123 123 ASP N N 123 121.832 121.832 117.791 4.041 25502 11027 1 15 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.315 0.850 25502 11028 1 15 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.121 0.735 25502 11029 1 15 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.046 -0.674 25502 11030 1 15 . 1 1 123 123 ASP H H 123 7.607 7.607 7.950 -0.343 25502 11031 1 15 . 1 1 124 124 GLY N N 124 110.836 110.836 106.209 4.627 25502 11032 1 15 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.783 -0.761 25502 11033 1 15 . 1 1 124 124 GLY H H 124 9.522 9.522 8.635 0.887 25502 11034 1 15 . 1 1 125 125 LYS N N 125 115.016 115.016 117.796 -2.780 25502 11035 1 15 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.139 -0.030 25502 11036 1 15 . 1 1 125 125 LYS CA C 125 56.248 56.248 57.011 -0.763 25502 11037 1 15 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.495 2.894 25502 11038 1 15 . 1 1 125 125 LYS H H 125 7.727 7.727 8.370 -0.643 25502 11039 1 15 . 1 1 126 126 HIS N N 126 119.223 119.223 115.230 3.993 25502 11040 1 15 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.933 -0.134 25502 11041 1 15 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.827 -0.268 25502 11042 1 15 . 1 1 126 126 HIS H H 126 7.571 7.571 7.656 -0.085 25502 11043 1 15 . 1 1 127 127 VAL N N 127 124.730 124.730 120.014 4.716 25502 11044 1 15 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.445 -0.187 25502 11045 1 15 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.436 2.211 25502 11046 1 15 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.647 -0.231 25502 11047 1 15 . 1 1 127 127 VAL H H 127 8.474 8.474 8.751 -0.277 25502 11048 1 15 . 1 1 128 128 VAL N N 128 132.814 132.814 127.822 4.992 25502 11049 1 15 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.442 -0.292 25502 11050 1 15 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.352 -0.984 25502 11051 1 15 . 1 1 128 128 VAL H H 128 9.470 9.470 8.673 0.797 25502 11052 1 15 . 1 1 129 129 PHE N N 129 117.478 117.478 121.510 -4.032 25502 11053 1 15 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.067 0.186 25502 11054 1 15 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.056 -0.148 25502 11055 1 15 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.864 2.592 25502 11056 1 15 . 1 1 129 129 PHE H H 129 8.086 8.086 7.908 0.178 25502 11057 1 15 . 1 1 130 130 GLY N N 130 110.497 110.497 107.924 2.573 25502 11058 1 15 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.493 0.901 25502 11059 1 15 . 1 1 130 130 GLY H H 130 7.297 7.297 7.410 -0.113 25502 11060 1 15 . 1 1 131 131 LYS N N 131 115.059 115.059 116.996 -1.937 25502 11061 1 15 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.849 0.358 25502 11062 1 15 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.905 -1.110 25502 11063 1 15 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.871 -0.019 25502 11064 1 15 . 1 1 131 131 LYS H H 131 8.353 8.353 8.285 0.068 25502 11065 1 15 . 1 1 132 132 VAL N N 132 123.802 123.802 125.469 -1.667 25502 11066 1 15 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.943 -0.055 25502 11067 1 15 . 1 1 132 132 VAL CA C 132 63.947 63.947 63.964 -0.017 25502 11068 1 15 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.258 2.289 25502 11069 1 15 . 1 1 132 132 VAL H H 132 9.015 9.015 8.854 0.161 25502 11070 1 15 . 1 1 133 133 LYS N N 133 131.324 131.324 128.190 3.134 25502 11071 1 15 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.122 0.302 25502 11072 1 15 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.375 -0.716 25502 11073 1 15 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.394 0.473 25502 11074 1 15 . 1 1 133 133 LYS H H 133 9.469 9.469 8.771 0.698 25502 11075 1 15 . 1 1 134 134 GLU N N 134 118.178 118.178 116.128 2.050 25502 11076 1 15 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.386 0.173 25502 11077 1 15 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.704 -0.556 25502 11078 1 15 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.459 0.277 25502 11079 1 15 . 1 1 134 134 GLU H H 134 7.543 7.543 7.597 -0.054 25502 11080 1 15 . 1 1 135 135 GLY N N 135 107.767 107.767 109.722 -1.955 25502 11081 1 15 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.215 0.652 25502 11082 1 15 . 1 1 135 135 GLY H H 135 8.693 8.693 8.710 -0.017 25502 11083 1 15 . 1 1 136 136 MET N N 136 122.307 122.307 119.117 3.190 25502 11084 1 15 . 1 1 136 136 MET HA H 136 4.437 4.437 4.090 0.347 25502 11085 1 15 . 1 1 136 136 MET CA C 136 56.659 56.659 56.943 -0.284 25502 11086 1 15 . 1 1 136 136 MET CB C 136 30.025 30.025 31.820 -1.795 25502 11087 1 15 . 1 1 136 136 MET H H 136 8.790 8.790 8.491 0.299 25502 11088 1 15 . 1 1 137 137 ASN N N 137 114.221 114.221 117.165 -2.944 25502 11089 1 15 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.435 0.015 25502 11090 1 15 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.764 0.162 25502 11091 1 15 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.437 -1.620 25502 11092 1 15 . 1 1 137 137 ASN H H 137 8.849 8.849 8.576 0.273 25502 11093 1 15 . 1 1 138 138 ILE N N 138 123.949 123.949 119.349 4.600 25502 11094 1 15 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.973 -0.223 25502 11095 1 15 . 1 1 138 138 ILE CA C 138 61.331 61.331 62.466 -1.135 25502 11096 1 15 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.580 -2.240 25502 11097 1 15 . 1 1 138 138 ILE H H 138 7.642 7.642 8.150 -0.508 25502 11098 1 15 . 1 1 139 139 VAL N N 139 121.654 121.654 119.026 2.628 25502 11099 1 15 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.779 0.065 25502 11100 1 15 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.853 -0.823 25502 11101 1 15 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.335 -0.359 25502 11102 1 15 . 1 1 139 139 VAL H H 139 7.244 7.244 7.773 -0.529 25502 11103 1 15 . 1 1 140 140 GLU N N 140 117.078 117.078 118.947 -1.869 25502 11104 1 15 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.181 -0.138 25502 11105 1 15 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.952 0.210 25502 11106 1 15 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.367 0.052 25502 11107 1 15 . 1 1 140 140 GLU H H 140 8.291 8.291 7.536 0.755 25502 11108 1 15 . 1 1 141 141 ALA N N 141 120.813 120.813 122.649 -1.836 25502 11109 1 15 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.143 -0.082 25502 11110 1 15 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.838 -0.109 25502 11111 1 15 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.468 -0.452 25502 11112 1 15 . 1 1 141 141 ALA H H 141 7.495 7.495 7.600 -0.105 25502 11113 1 15 . 1 1 142 142 MET N N 142 117.301 117.301 117.724 -0.423 25502 11114 1 15 . 1 1 142 142 MET HA H 142 3.938 3.938 4.275 -0.337 25502 11115 1 15 . 1 1 142 142 MET CA C 142 59.610 59.610 59.280 0.330 25502 11116 1 15 . 1 1 142 142 MET CB C 142 33.678 33.678 32.512 1.166 25502 11117 1 15 . 1 1 142 142 MET H H 142 8.259 8.259 8.003 0.256 25502 11118 1 15 . 1 1 143 143 GLU N N 143 116.052 116.052 117.334 -1.282 25502 11119 1 15 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.030 -0.314 25502 11120 1 15 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.065 0.117 25502 11121 1 15 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.834 1.437 25502 11122 1 15 . 1 1 143 143 GLU H H 143 7.832 7.832 8.016 -0.184 25502 11123 1 15 . 1 1 144 144 ARG N N 144 114.357 114.357 119.061 -4.704 25502 11124 1 15 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.044 -0.122 25502 11125 1 15 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.921 -0.379 25502 11126 1 15 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.172 0.131 25502 11127 1 15 . 1 1 144 144 ARG H H 144 7.034 7.034 7.341 -0.307 25502 11128 1 15 . 1 1 145 145 PHE N N 145 115.146 115.146 116.100 -0.954 25502 11129 1 15 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.781 0.012 25502 11130 1 15 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.155 0.459 25502 11131 1 15 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.539 -0.626 25502 11132 1 15 . 1 1 145 145 PHE H H 145 7.624 7.624 8.132 -0.508 25502 11133 1 15 . 1 1 146 146 GLY N N 146 104.498 104.498 107.161 -2.663 25502 11134 1 15 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.540 0.609 25502 11135 1 15 . 1 1 146 146 GLY H H 146 7.514 7.514 7.385 0.129 25502 11136 1 15 . 1 1 147 147 SER N N 147 109.815 109.815 116.493 -6.678 25502 11137 1 15 . 1 1 147 147 SER HA H 147 4.755 4.755 4.804 -0.049 25502 11138 1 15 . 1 1 147 147 SER CA C 147 58.033 58.033 57.280 0.753 25502 11139 1 15 . 1 1 147 147 SER H H 147 8.190 8.190 8.584 -0.394 25502 11140 1 15 . 1 1 148 148 ARG N N 148 119.789 119.789 125.203 -5.414 25502 11141 1 15 . 1 1 148 148 ARG HA H 148 4.167 4.167 3.977 0.190 25502 11142 1 15 . 1 1 148 148 ARG CA C 148 59.491 59.491 58.970 0.521 25502 11143 1 15 . 1 1 148 148 ARG CB C 148 29.662 29.662 29.842 -0.180 25502 11144 1 15 . 1 1 148 148 ARG H H 148 8.795 8.795 8.917 -0.122 25502 11145 1 15 . 1 1 149 149 ASN N N 149 111.378 111.378 113.408 -2.030 25502 11146 1 15 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.567 0.267 25502 11147 1 15 . 1 1 149 149 ASN CA C 149 52.120 52.120 54.139 -2.019 25502 11148 1 15 . 1 1 149 149 ASN CB C 149 38.241 38.241 38.418 -0.177 25502 11149 1 15 . 1 1 149 149 ASN H H 149 7.841 7.841 8.027 -0.186 25502 11150 1 15 . 1 1 150 150 GLY N N 150 109.893 109.893 109.218 0.675 25502 11151 1 15 . 1 1 150 150 GLY CA C 150 44.897 44.897 44.787 0.110 25502 11152 1 15 . 1 1 150 150 GLY H H 150 8.040 8.040 8.078 -0.038 25502 11153 1 15 . 1 1 151 151 LYS N N 151 119.608 119.608 121.734 -2.126 25502 11154 1 15 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.227 0.178 25502 11155 1 15 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.901 -0.856 25502 11156 1 15 . 1 1 151 151 LYS CB C 151 32.269 32.269 32.995 -0.726 25502 11157 1 15 . 1 1 151 151 LYS H H 151 7.525 7.525 8.097 -0.572 25502 11158 1 15 . 1 1 152 152 THR N N 152 116.317 116.317 108.810 7.507 25502 11159 1 15 . 1 1 152 152 THR HA H 152 5.532 5.532 4.790 0.743 25502 11160 1 15 . 1 1 152 152 THR CA C 152 59.953 59.953 60.410 -0.457 25502 11161 1 15 . 1 1 152 152 THR CB C 152 71.108 71.108 71.649 -0.541 25502 11162 1 15 . 1 1 152 152 THR H H 152 8.823 8.823 8.050 0.773 25502 11163 1 15 . 1 1 153 153 SER N N 153 116.804 116.804 119.826 -3.022 25502 11164 1 15 . 1 1 153 153 SER HA H 153 4.456 4.456 4.441 0.015 25502 11165 1 15 . 1 1 153 153 SER CA C 153 58.712 58.712 60.791 -2.079 25502 11166 1 15 . 1 1 153 153 SER CB C 153 63.477 63.477 63.640 -0.163 25502 11167 1 15 . 1 1 153 153 SER H H 153 9.412 9.412 9.035 0.377 25502 11168 1 15 . 1 1 154 154 LYS N N 154 119.068 119.068 120.911 -1.843 25502 11169 1 15 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.395 0.137 25502 11170 1 15 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.463 -1.063 25502 11171 1 15 . 1 1 154 154 LYS CB C 154 38.406 38.406 34.398 4.008 25502 11172 1 15 . 1 1 154 154 LYS H H 154 7.527 7.527 7.570 -0.043 25502 11173 1 15 . 1 1 155 155 LYS N N 155 121.541 121.541 121.103 0.438 25502 11174 1 15 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.574 -0.261 25502 11175 1 15 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.168 0.979 25502 11176 1 15 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.465 -0.477 25502 11177 1 15 . 1 1 155 155 LYS H H 155 8.791 8.791 8.462 0.329 25502 11178 1 15 . 1 1 156 156 ILE N N 156 133.980 133.980 129.964 4.016 25502 11179 1 15 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.040 0.053 25502 11180 1 15 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.283 -1.019 25502 11181 1 15 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.334 -1.494 25502 11182 1 15 . 1 1 156 156 ILE H H 156 9.606 9.606 8.743 0.863 25502 11183 1 15 . 1 1 157 157 THR N N 157 116.977 116.977 120.410 -3.433 25502 11184 1 15 . 1 1 157 157 THR HA H 157 5.274 5.274 4.843 0.431 25502 11185 1 15 . 1 1 157 157 THR CA C 157 59.475 59.475 59.735 -0.260 25502 11186 1 15 . 1 1 157 157 THR CB C 157 72.475 72.475 71.949 0.526 25502 11187 1 15 . 1 1 157 157 THR H H 157 9.233 9.233 8.121 1.112 25502 11188 1 15 . 1 1 158 158 ILE N N 158 121.529 121.529 122.126 -0.597 25502 11189 1 15 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.877 -0.635 25502 11190 1 15 . 1 1 158 158 ILE CA C 158 60.868 60.868 58.406 2.462 25502 11191 1 15 . 1 1 158 158 ILE CB C 158 36.790 36.790 36.888 -0.098 25502 11192 1 15 . 1 1 158 158 ILE H H 158 8.580 8.580 8.645 -0.065 25502 11193 1 15 . 1 1 159 159 ALA N N 159 132.313 132.313 131.845 0.468 25502 11194 1 15 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.185 -0.061 25502 11195 1 15 . 1 1 159 159 ALA CA C 159 54.073 54.073 54.230 -0.157 25502 11196 1 15 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.612 -0.599 25502 11197 1 15 . 1 1 159 159 ALA H H 159 8.873 8.873 8.697 0.176 25502 11198 1 15 . 1 1 160 160 ASP N N 160 111.257 111.257 115.208 -3.951 25502 11199 1 15 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.658 0.232 25502 11200 1 15 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.625 -0.986 25502 11201 1 15 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.102 0.485 25502 11202 1 15 . 1 1 160 160 ASP H H 160 8.066 8.066 7.744 0.322 25502 11203 1 15 . 1 1 161 161 CYS N N 161 115.837 115.837 118.069 -2.232 25502 11204 1 15 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.957 0.588 25502 11205 1 15 . 1 1 161 161 CYS CA C 161 55.148 55.148 56.366 -1.218 25502 11206 1 15 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.887 0.250 25502 11207 1 15 . 1 1 161 161 CYS H H 161 8.591 8.591 8.380 0.211 25502 11208 1 15 . 1 1 162 162 GLY N N 162 103.888 103.888 108.941 -5.053 25502 11209 1 15 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.453 -0.104 25502 11210 1 15 . 1 1 162 162 GLY H H 162 6.844 6.844 7.713 -0.869 25502 11211 1 15 . 1 1 163 163 GLN N N 163 120.718 120.718 120.855 -0.137 25502 11212 1 15 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.224 0.845 25502 11213 1 15 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.334 -1.525 25502 11214 1 15 . 1 1 163 163 GLN CB C 163 30.590 30.590 28.390 2.200 25502 11215 1 15 . 1 1 163 163 GLN H H 163 9.066 9.066 8.471 0.595 25502 11216 1 15 . 1 1 164 164 LEU N N 164 125.816 125.816 127.656 -1.840 25502 11217 1 15 . 1 1 164 164 LEU HA H 164 4.607 4.607 3.965 0.642 25502 11218 1 15 . 1 1 164 164 LEU CA C 164 54.739 54.739 57.154 -2.415 25502 11219 1 15 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.379 1.983 25502 11220 1 15 . 1 1 164 164 LEU H H 164 8.593 8.593 8.845 -0.252 25502 11221 1 16 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.183 -0.007 25502 11222 1 16 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.601 -1.109 25502 11223 1 16 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.646 -0.520 25502 11224 1 16 . 1 1 3 3 ASN N N 3 126.515 126.515 124.963 1.552 25502 11225 1 16 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.232 -0.095 25502 11226 1 16 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.536 -0.528 25502 11227 1 16 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.693 -1.894 25502 11228 1 16 . 1 1 3 3 ASN H H 3 8.600 8.600 8.506 0.094 25502 11229 1 16 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.494 0.260 25502 11230 1 16 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.905 -0.236 25502 11231 1 16 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.625 0.513 25502 11232 1 16 . 1 1 5 5 THR N N 5 114.826 114.826 116.538 -1.712 25502 11233 1 16 . 1 1 5 5 THR HA H 5 5.716 5.716 4.945 0.771 25502 11234 1 16 . 1 1 5 5 THR CA C 5 60.698 60.698 61.267 -0.569 25502 11235 1 16 . 1 1 5 5 THR CB C 5 41.142 41.142 71.935 -30.793 25502 11236 1 16 . 1 1 5 5 THR H H 5 8.771 8.771 8.180 0.591 25502 11237 1 16 . 1 1 6 6 VAL N N 6 120.113 120.113 122.819 -2.706 25502 11238 1 16 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.472 -0.133 25502 11239 1 16 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.241 -0.444 25502 11240 1 16 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.360 0.775 25502 11241 1 16 . 1 1 6 6 VAL H H 6 8.741 8.741 8.386 0.355 25502 11242 1 16 . 1 1 7 7 PHE N N 7 118.968 118.968 122.530 -3.562 25502 11243 1 16 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.063 0.832 25502 11244 1 16 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.040 0.648 25502 11245 1 16 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.613 1.430 25502 11246 1 16 . 1 1 7 7 PHE H H 7 8.954 8.954 8.329 0.625 25502 11247 1 16 . 1 1 8 8 PHE N N 8 116.774 116.774 120.240 -3.466 25502 11248 1 16 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.756 0.561 25502 11249 1 16 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.320 -3.897 25502 11250 1 16 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.391 1.479 25502 11251 1 16 . 1 1 8 8 PHE H H 8 9.540 9.540 8.487 1.053 25502 11252 1 16 . 1 1 9 9 ASP N N 9 123.959 123.959 124.598 -0.639 25502 11253 1 16 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.609 0.924 25502 11254 1 16 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.806 -1.041 25502 11255 1 16 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.761 -0.449 25502 11256 1 16 . 1 1 9 9 ASP H H 9 9.266 9.266 9.024 0.242 25502 11257 1 16 . 1 1 10 10 ILE N N 10 124.122 124.122 125.034 -0.912 25502 11258 1 16 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.527 0.645 25502 11259 1 16 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.146 -1.987 25502 11260 1 16 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.701 0.002 25502 11261 1 16 . 1 1 10 10 ILE H H 10 9.030 9.030 7.882 1.148 25502 11262 1 16 . 1 1 11 11 ALA N N 11 132.244 132.244 130.318 1.926 25502 11263 1 16 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.936 0.229 25502 11264 1 16 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.113 0.551 25502 11265 1 16 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.277 29.284 25502 11266 1 16 . 1 1 11 11 ALA H H 11 9.603 9.603 9.149 0.454 25502 11267 1 16 . 1 1 12 12 VAL N N 12 118.199 118.199 119.725 -1.526 25502 11268 1 16 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.665 -0.154 25502 11269 1 16 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.677 -0.251 25502 11270 1 16 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.688 0.493 25502 11271 1 16 . 1 1 12 12 VAL H H 12 8.943 8.943 8.676 0.267 25502 11272 1 16 . 1 1 13 13 ASP N N 13 130.748 130.748 128.374 2.374 25502 11273 1 16 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.270 0.050 25502 11274 1 16 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.713 0.113 25502 11275 1 16 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.325 -0.490 25502 11276 1 16 . 1 1 13 13 ASP H H 13 9.846 9.846 9.118 0.728 25502 11277 1 16 . 1 1 14 14 GLY N N 14 101.493 101.493 104.058 -2.565 25502 11278 1 16 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.920 0.162 25502 11279 1 16 . 1 1 14 14 GLY H H 14 8.558 8.558 8.632 -0.074 25502 11280 1 16 . 1 1 15 15 GLU N N 15 123.014 123.014 123.920 -0.906 25502 11281 1 16 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.667 0.169 25502 11282 1 16 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.886 -0.133 25502 11283 1 16 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.149 0.087 25502 11284 1 16 . 1 1 15 15 GLU H H 15 8.046 8.046 7.644 0.402 25502 11285 1 16 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.548 -0.372 25502 11286 1 16 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.986 1.560 25502 11287 1 16 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.344 29.767 25502 11288 1 16 . 1 1 17 17 LEU N N 17 125.784 125.784 123.876 1.908 25502 11289 1 16 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.089 0.598 25502 11290 1 16 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.683 -1.335 25502 11291 1 16 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.489 1.668 25502 11292 1 16 . 1 1 17 17 LEU H H 17 9.189 9.189 8.728 0.461 25502 11293 1 16 . 1 1 18 18 GLY N N 18 102.200 102.200 103.782 -1.582 25502 11294 1 16 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.629 0.340 25502 11295 1 16 . 1 1 18 18 GLY H H 18 7.256 7.256 7.467 -0.211 25502 11296 1 16 . 1 1 19 19 ARG N N 19 120.995 120.995 123.187 -2.192 25502 11297 1 16 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.693 0.929 25502 11298 1 16 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.100 -0.085 25502 11299 1 16 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.900 0.440 25502 11300 1 16 . 1 1 19 19 ARG H H 19 8.320 8.320 8.372 -0.052 25502 11301 1 16 . 1 1 20 20 VAL N N 20 126.616 126.616 124.450 2.166 25502 11302 1 16 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.696 -0.093 25502 11303 1 16 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.631 -1.690 25502 11304 1 16 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.339 1.544 25502 11305 1 16 . 1 1 20 20 VAL H H 20 9.364 9.364 8.639 0.725 25502 11306 1 16 . 1 1 21 21 SER N N 21 120.061 120.061 120.401 -0.340 25502 11307 1 16 . 1 1 21 21 SER HA H 21 5.515 5.515 5.301 0.214 25502 11308 1 16 . 1 1 21 21 SER CA C 21 55.317 55.317 55.766 -0.449 25502 11309 1 16 . 1 1 21 21 SER CB C 21 36.773 36.773 65.597 -28.824 25502 11310 1 16 . 1 1 21 21 SER H H 21 8.768 8.768 7.775 0.993 25502 11311 1 16 . 1 1 22 22 PHE N N 22 118.878 118.878 117.605 1.273 25502 11312 1 16 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.207 0.030 25502 11313 1 16 . 1 1 22 22 PHE CA C 22 55.688 55.688 57.033 -1.345 25502 11314 1 16 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.195 -0.621 25502 11315 1 16 . 1 1 22 22 PHE H H 22 9.508 9.508 9.171 0.337 25502 11316 1 16 . 1 1 23 23 GLU N N 23 122.926 122.926 123.906 -0.980 25502 11317 1 16 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.635 0.114 25502 11318 1 16 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.882 0.067 25502 11319 1 16 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.318 1.311 25502 11320 1 16 . 1 1 23 23 GLU H H 23 8.740 8.740 9.047 -0.307 25502 11321 1 16 . 1 1 24 24 LEU N N 24 122.262 122.262 127.793 -5.531 25502 11322 1 16 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.586 0.111 25502 11323 1 16 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.742 -3.191 25502 11324 1 16 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.674 0.446 25502 11325 1 16 . 1 1 24 24 LEU H H 24 8.185 8.185 7.991 0.194 25502 11326 1 16 . 1 1 25 25 PHE N N 25 124.423 124.423 123.918 0.505 25502 11327 1 16 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.583 0.525 25502 11328 1 16 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.245 -2.955 25502 11329 1 16 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.535 -0.575 25502 11330 1 16 . 1 1 25 25 PHE H H 25 8.815 8.815 9.455 -0.640 25502 11331 1 16 . 1 1 26 26 ALA N N 26 128.683 128.683 125.282 3.401 25502 11332 1 16 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.332 -0.561 25502 11333 1 16 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.440 -0.154 25502 11334 1 16 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.371 0.254 25502 11335 1 16 . 1 1 26 26 ALA H H 26 8.433 8.433 8.115 0.318 25502 11336 1 16 . 1 1 27 27 ASP N N 27 114.069 114.069 118.976 -4.907 25502 11337 1 16 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.530 -0.287 25502 11338 1 16 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.635 -1.307 25502 11339 1 16 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.020 -2.165 25502 11340 1 16 . 1 1 27 27 ASP H H 27 9.052 9.052 8.272 0.780 25502 11341 1 16 . 1 1 28 28 LYS N N 28 117.763 117.763 117.084 0.679 25502 11342 1 16 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.468 0.103 25502 11343 1 16 . 1 1 28 28 LYS CA C 28 56.232 56.232 57.072 -0.840 25502 11344 1 16 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.267 1.655 25502 11345 1 16 . 1 1 28 28 LYS H H 28 7.545 7.545 7.938 -0.393 25502 11346 1 16 . 1 1 29 29 VAL N N 29 114.212 114.212 114.276 -0.064 25502 11347 1 16 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.745 -0.294 25502 11348 1 16 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.500 -0.411 25502 11349 1 16 . 1 1 29 29 VAL CB C 29 31.745 31.745 30.785 0.960 25502 11350 1 16 . 1 1 29 29 VAL H H 29 8.368 8.368 8.274 0.094 25502 11351 1 16 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.407 -0.012 25502 11352 1 16 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.948 0.135 25502 11353 1 16 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.121 -0.817 25502 11354 1 16 . 1 1 31 31 LYS N N 31 123.500 123.500 117.762 5.738 25502 11355 1 16 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.094 -0.087 25502 11356 1 16 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.618 1.738 25502 11357 1 16 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.532 0.747 25502 11358 1 16 . 1 1 31 31 LYS H H 31 10.663 10.663 8.339 2.324 25502 11359 1 16 . 1 1 32 32 THR N N 32 123.707 123.707 113.332 10.375 25502 11360 1 16 . 1 1 32 32 THR HA H 32 3.988 3.988 3.941 0.047 25502 11361 1 16 . 1 1 32 32 THR CA C 32 37.678 37.678 65.728 -28.049 25502 11362 1 16 . 1 1 32 32 THR CB C 32 38.883 38.883 68.634 -29.751 25502 11363 1 16 . 1 1 32 32 THR H H 32 10.283 10.283 7.649 2.634 25502 11364 1 16 . 1 1 33 33 ALA N N 33 125.366 125.366 124.705 0.661 25502 11365 1 16 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.437 -0.400 25502 11366 1 16 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.328 0.539 25502 11367 1 16 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.461 -0.226 25502 11368 1 16 . 1 1 33 33 ALA H H 33 9.281 9.281 8.419 0.862 25502 11369 1 16 . 1 1 34 34 GLU N N 34 117.040 117.040 118.038 -0.998 25502 11370 1 16 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.962 0.547 25502 11371 1 16 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.721 -1.835 25502 11372 1 16 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.462 28.441 25502 11373 1 16 . 1 1 34 34 GLU H H 34 8.027 8.027 8.586 -0.559 25502 11374 1 16 . 1 1 35 35 ASN N N 35 115.398 115.398 118.327 -2.929 25502 11375 1 16 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.413 -0.359 25502 11376 1 16 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.369 0.262 25502 11377 1 16 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.273 1.192 25502 11378 1 16 . 1 1 35 35 ASN H H 35 7.139 7.139 7.378 -0.239 25502 11379 1 16 . 1 1 36 36 PHE N N 36 117.607 117.607 120.754 -3.147 25502 11380 1 16 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.269 -0.160 25502 11381 1 16 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.605 0.786 25502 11382 1 16 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.182 0.831 25502 11383 1 16 . 1 1 36 36 PHE H H 36 7.012 7.012 7.626 -0.614 25502 11384 1 16 . 1 1 37 37 ARG N N 37 120.804 120.804 119.955 0.849 25502 11385 1 16 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.945 -0.313 25502 11386 1 16 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.680 0.701 25502 11387 1 16 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.270 -0.410 25502 11388 1 16 . 1 1 37 37 ARG H H 37 8.935 8.935 8.862 0.073 25502 11389 1 16 . 1 1 38 38 ALA N N 38 118.869 118.869 122.303 -3.434 25502 11390 1 16 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.121 -0.052 25502 11391 1 16 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.196 -0.856 25502 11392 1 16 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.384 -0.149 25502 11393 1 16 . 1 1 38 38 ALA H H 38 8.687 8.687 8.294 0.393 25502 11394 1 16 . 1 1 39 39 LEU N N 39 120.488 120.488 118.143 2.345 25502 11395 1 16 . 1 1 39 39 LEU HA H 39 3.744 3.744 4.004 -0.260 25502 11396 1 16 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.140 -0.025 25502 11397 1 16 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.174 -1.148 25502 11398 1 16 . 1 1 39 39 LEU H H 39 8.173 8.173 7.763 0.410 25502 11399 1 16 . 1 1 40 40 SER N N 40 118.952 118.952 114.828 4.124 25502 11400 1 16 . 1 1 40 40 SER HA H 40 4.444 4.444 3.846 0.598 25502 11401 1 16 . 1 1 40 40 SER CA C 40 62.334 62.334 61.909 0.425 25502 11402 1 16 . 1 1 40 40 SER CB C 40 62.884 62.884 62.942 -0.058 25502 11403 1 16 . 1 1 40 40 SER H H 40 7.900 7.900 8.309 -0.408 25502 11404 1 16 . 1 1 41 41 THR N N 41 108.208 108.208 111.706 -3.498 25502 11405 1 16 . 1 1 41 41 THR HA H 41 4.288 4.288 4.066 0.222 25502 11406 1 16 . 1 1 41 41 THR CA C 41 62.810 62.810 64.096 -1.286 25502 11407 1 16 . 1 1 41 41 THR CB C 41 69.221 69.221 69.405 -0.184 25502 11408 1 16 . 1 1 41 41 THR H H 41 7.974 7.974 8.109 -0.135 25502 11409 1 16 . 1 1 42 42 GLY N N 42 108.122 108.122 109.111 -0.989 25502 11410 1 16 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.031 0.726 25502 11411 1 16 . 1 1 42 42 GLY H H 42 7.582 7.582 7.835 -0.253 25502 11412 1 16 . 1 1 43 43 GLU N N 43 118.454 118.454 121.947 -3.493 25502 11413 1 16 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.903 0.217 25502 11414 1 16 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.463 -0.106 25502 11415 1 16 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.129 0.813 25502 11416 1 16 . 1 1 43 43 GLU H H 43 8.009 8.009 7.837 0.172 25502 11417 1 16 . 1 1 44 44 LYS N N 44 118.055 118.055 119.168 -1.113 25502 11418 1 16 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.982 0.299 25502 11419 1 16 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.565 -3.445 25502 11420 1 16 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.635 -2.339 25502 11421 1 16 . 1 1 44 44 LYS H H 44 9.102 9.102 7.575 1.527 25502 11422 1 16 . 1 1 45 45 GLY N N 45 105.305 105.305 105.277 0.028 25502 11423 1 16 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.100 -0.570 25502 11424 1 16 . 1 1 45 45 GLY H H 45 7.939 7.939 8.217 -0.278 25502 11425 1 16 . 1 1 46 46 PHE N N 46 113.461 113.461 116.163 -2.702 25502 11426 1 16 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.985 -0.361 25502 11427 1 16 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.622 -1.741 25502 11428 1 16 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.191 0.278 25502 11429 1 16 . 1 1 46 46 PHE H H 46 6.413 6.413 7.580 -1.167 25502 11430 1 16 . 1 1 47 47 GLY N N 47 104.416 104.416 106.706 -2.290 25502 11431 1 16 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.079 0.379 25502 11432 1 16 . 1 1 47 47 GLY H H 47 7.686 7.686 8.475 -0.789 25502 11433 1 16 . 1 1 48 48 TYR N N 48 113.530 113.530 120.568 -7.038 25502 11434 1 16 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.745 -0.537 25502 11435 1 16 . 1 1 48 48 TYR CA C 48 57.039 57.039 57.474 -0.435 25502 11436 1 16 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.618 -1.199 25502 11437 1 16 . 1 1 48 48 TYR H H 48 6.887 6.887 8.070 -1.183 25502 11438 1 16 . 1 1 49 49 LYS N N 49 124.631 124.631 121.209 3.422 25502 11439 1 16 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.101 -0.506 25502 11440 1 16 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.083 3.799 25502 11441 1 16 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.186 -1.018 25502 11442 1 16 . 1 1 49 49 LYS H H 49 8.474 8.474 7.948 0.526 25502 11443 1 16 . 1 1 50 50 GLY N N 50 117.591 117.591 114.023 3.568 25502 11444 1 16 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.372 -0.331 25502 11445 1 16 . 1 1 50 50 GLY H H 50 9.482 9.482 8.974 0.508 25502 11446 1 16 . 1 1 51 51 SER N N 51 116.156 116.156 114.614 1.542 25502 11447 1 16 . 1 1 51 51 SER HA H 51 4.658 4.658 4.821 -0.163 25502 11448 1 16 . 1 1 51 51 SER CA C 51 58.682 58.682 59.834 -1.152 25502 11449 1 16 . 1 1 51 51 SER CB C 51 64.607 64.607 64.436 0.171 25502 11450 1 16 . 1 1 51 51 SER H H 51 8.397 8.397 8.098 0.299 25502 11451 1 16 . 1 1 52 52 CYS N N 52 114.800 114.800 118.320 -3.520 25502 11452 1 16 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.089 0.806 25502 11453 1 16 . 1 1 52 52 CYS CA C 52 55.965 55.965 57.176 -1.211 25502 11454 1 16 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.390 1.329 25502 11455 1 16 . 1 1 52 52 CYS H H 52 9.858 9.858 8.487 1.371 25502 11456 1 16 . 1 1 53 53 PHE N N 53 122.839 122.839 122.462 0.377 25502 11457 1 16 . 1 1 53 53 PHE HA H 53 4.853 4.853 5.135 -0.282 25502 11458 1 16 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.022 1.061 25502 11459 1 16 . 1 1 53 53 PHE CB C 53 38.728 38.728 39.810 -1.082 25502 11460 1 16 . 1 1 53 53 PHE H H 53 8.702 8.702 8.489 0.213 25502 11461 1 16 . 1 1 54 54 HIS N N 54 119.944 119.944 118.525 1.419 25502 11462 1 16 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.939 -0.233 25502 11463 1 16 . 1 1 54 54 HIS CA C 54 56.985 56.985 54.928 2.057 25502 11464 1 16 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.667 0.677 25502 11465 1 16 . 1 1 54 54 HIS H H 54 7.623 7.623 8.593 -0.970 25502 11466 1 16 . 1 1 55 55 ARG N N 55 122.758 122.758 120.370 2.388 25502 11467 1 16 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.475 0.624 25502 11468 1 16 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.401 -1.698 25502 11469 1 16 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.946 2.825 25502 11470 1 16 . 1 1 55 55 ARG H H 55 7.031 7.031 8.119 -1.088 25502 11471 1 16 . 1 1 56 56 ILE N N 56 126.170 126.170 124.103 2.067 25502 11472 1 16 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.407 0.182 25502 11473 1 16 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.749 0.702 25502 11474 1 16 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.065 0.567 25502 11475 1 16 . 1 1 56 56 ILE H H 56 9.166 9.166 8.396 0.770 25502 11476 1 16 . 1 1 57 57 ILE N N 57 127.731 127.731 127.504 0.227 25502 11477 1 16 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.586 0.611 25502 11478 1 16 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.978 -0.364 25502 11479 1 16 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.166 0.848 25502 11480 1 16 . 1 1 57 57 ILE H H 57 8.718 8.718 8.340 0.378 25502 11481 1 16 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.459 -0.135 25502 11482 1 16 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.188 -0.239 25502 11483 1 16 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.449 1.462 25502 11484 1 16 . 1 1 59 59 GLY N N 59 113.877 113.877 111.638 2.239 25502 11485 1 16 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.589 -0.411 25502 11486 1 16 . 1 1 59 59 GLY H H 59 9.679 9.679 8.347 1.332 25502 11487 1 16 . 1 1 60 60 PHE N N 60 118.955 118.955 122.922 -3.967 25502 11488 1 16 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.878 0.215 25502 11489 1 16 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.345 -1.600 25502 11490 1 16 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.784 -3.091 25502 11491 1 16 . 1 1 60 60 PHE H H 60 8.095 8.095 7.969 0.126 25502 11492 1 16 . 1 1 61 61 MET N N 61 110.963 110.963 111.361 -0.398 25502 11493 1 16 . 1 1 61 61 MET HA H 61 5.311 5.311 4.816 0.495 25502 11494 1 16 . 1 1 61 61 MET CA C 61 54.802 54.802 55.380 -0.578 25502 11495 1 16 . 1 1 61 61 MET CB C 61 34.892 34.892 33.463 1.429 25502 11496 1 16 . 1 1 61 61 MET H H 61 8.088 8.088 7.849 0.239 25502 11497 1 16 . 1 1 62 62 CYS N N 62 114.627 114.627 119.388 -4.761 25502 11498 1 16 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.874 -0.001 25502 11499 1 16 . 1 1 62 62 CYS CA C 62 57.335 57.335 56.894 0.441 25502 11500 1 16 . 1 1 62 62 CYS CB C 62 60.060 60.060 29.545 30.515 25502 11501 1 16 . 1 1 62 62 CYS H H 62 8.474 8.474 8.448 0.026 25502 11502 1 16 . 1 1 63 63 GLN N N 63 126.463 126.463 117.944 8.519 25502 11503 1 16 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.696 0.680 25502 11504 1 16 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.453 -0.929 25502 11505 1 16 . 1 1 63 63 GLN CB C 63 30.400 30.400 33.062 -2.662 25502 11506 1 16 . 1 1 63 63 GLN H H 63 9.651 9.651 8.286 1.365 25502 11507 1 16 . 1 1 64 64 GLY N N 64 110.531 110.531 109.195 1.336 25502 11508 1 16 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.174 -0.774 25502 11509 1 16 . 1 1 64 64 GLY H H 64 7.352 7.352 8.403 -1.051 25502 11510 1 16 . 1 1 65 65 GLY N N 65 105.572 105.572 107.944 -2.372 25502 11511 1 16 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.110 2.315 25502 11512 1 16 . 1 1 65 65 GLY H H 65 9.292 9.292 7.556 1.736 25502 11513 1 16 . 1 1 66 66 ASP N N 66 123.656 123.656 122.603 1.053 25502 11514 1 16 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.463 -0.173 25502 11515 1 16 . 1 1 66 66 ASP CA C 66 51.505 51.505 55.614 -4.109 25502 11516 1 16 . 1 1 66 66 ASP CB C 66 38.702 38.702 41.866 -3.164 25502 11517 1 16 . 1 1 66 66 ASP H H 66 9.910 9.910 7.937 1.973 25502 11518 1 16 . 1 1 67 67 PHE N N 67 115.914 115.914 116.370 -0.456 25502 11519 1 16 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.899 -0.302 25502 11520 1 16 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.959 -1.175 25502 11521 1 16 . 1 1 67 67 PHE CB C 67 39.357 39.357 40.634 -1.277 25502 11522 1 16 . 1 1 67 67 PHE H H 67 6.624 6.624 7.957 -1.333 25502 11523 1 16 . 1 1 68 68 THR N N 68 108.853 108.853 113.666 -4.813 25502 11524 1 16 . 1 1 68 68 THR HA H 68 4.638 4.638 4.473 0.165 25502 11525 1 16 . 1 1 68 68 THR CA C 68 61.621 61.621 62.357 -0.736 25502 11526 1 16 . 1 1 68 68 THR CB C 68 68.789 68.789 69.598 -0.809 25502 11527 1 16 . 1 1 68 68 THR H H 68 7.320 7.320 8.707 -1.387 25502 11528 1 16 . 1 1 69 69 ARG N N 69 121.780 121.780 120.875 0.905 25502 11529 1 16 . 1 1 69 69 ARG HA H 69 4.362 4.362 3.818 0.544 25502 11530 1 16 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.815 -1.787 25502 11531 1 16 . 1 1 69 69 ARG CB C 69 61.533 61.533 28.035 33.498 25502 11532 1 16 . 1 1 69 69 ARG H H 69 8.655 8.655 8.597 0.058 25502 11533 1 16 . 1 1 70 70 HIS N N 70 112.009 112.009 110.749 1.260 25502 11534 1 16 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.300 0.098 25502 11535 1 16 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.908 0.227 25502 11536 1 16 . 1 1 70 70 HIS CB C 70 58.434 58.434 27.800 30.634 25502 11537 1 16 . 1 1 70 70 HIS H H 70 6.838 6.838 8.636 -1.798 25502 11538 1 16 . 1 1 71 71 ASN N N 71 112.340 112.340 116.302 -3.962 25502 11539 1 16 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.881 -0.286 25502 11540 1 16 . 1 1 71 71 ASN CA C 71 52.160 52.160 54.005 -1.845 25502 11541 1 16 . 1 1 71 71 ASN CB C 71 38.707 38.707 40.175 -1.468 25502 11542 1 16 . 1 1 71 71 ASN H H 71 7.519 7.519 8.501 -0.982 25502 11543 1 16 . 1 1 72 72 GLY N N 72 110.239 110.239 108.934 1.305 25502 11544 1 16 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.637 -1.064 25502 11545 1 16 . 1 1 72 72 GLY H H 72 9.619 9.619 8.132 1.487 25502 11546 1 16 . 1 1 73 73 THR N N 73 111.802 111.802 114.507 -2.705 25502 11547 1 16 . 1 1 73 73 THR HA H 73 4.487 4.487 4.627 -0.140 25502 11548 1 16 . 1 1 73 73 THR CA C 73 62.070 62.070 61.783 0.287 25502 11549 1 16 . 1 1 73 73 THR CB C 73 40.762 40.762 69.338 -28.576 25502 11550 1 16 . 1 1 73 73 THR H H 73 7.930 7.930 7.525 0.405 25502 11551 1 16 . 1 1 74 74 GLY N N 74 113.668 113.668 108.988 4.680 25502 11552 1 16 . 1 1 74 74 GLY CA C 74 44.908 44.908 45.848 -0.940 25502 11553 1 16 . 1 1 74 74 GLY H H 74 8.669 8.669 8.112 0.557 25502 11554 1 16 . 1 1 75 75 GLY N N 75 108.813 108.813 109.114 -0.301 25502 11555 1 16 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.103 -1.066 25502 11556 1 16 . 1 1 75 75 GLY H H 75 8.066 8.066 7.914 0.152 25502 11557 1 16 . 1 1 76 76 LYS N N 76 115.526 115.526 120.149 -4.623 25502 11558 1 16 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.402 0.183 25502 11559 1 16 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.459 0.249 25502 11560 1 16 . 1 1 76 76 LYS CB C 76 34.515 34.515 33.888 0.627 25502 11561 1 16 . 1 1 76 76 LYS H H 76 6.981 6.981 7.937 -0.956 25502 11562 1 16 . 1 1 77 77 SER N N 77 114.105 114.105 118.115 -4.010 25502 11563 1 16 . 1 1 77 77 SER HA H 77 5.185 5.185 4.682 0.503 25502 11564 1 16 . 1 1 77 77 SER CA C 77 56.816 56.816 56.649 0.167 25502 11565 1 16 . 1 1 77 77 SER CB C 77 38.963 38.963 61.685 -22.722 25502 11566 1 16 . 1 1 78 78 ILE N N 78 110.963 110.963 116.550 -5.587 25502 11567 1 16 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.687 0.483 25502 11568 1 16 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.580 0.937 25502 11569 1 16 . 1 1 78 78 ILE CB C 78 37.308 37.308 35.987 1.321 25502 11570 1 16 . 1 1 78 78 ILE H H 78 8.557 8.557 7.904 0.653 25502 11571 1 16 . 1 1 79 79 TYR N N 79 120.472 120.472 116.238 4.234 25502 11572 1 16 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.703 -0.036 25502 11573 1 16 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.202 -2.055 25502 11574 1 16 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.836 -1.111 25502 11575 1 16 . 1 1 79 79 TYR H H 79 8.007 8.007 7.612 0.395 25502 11576 1 16 . 1 1 80 80 GLY N N 80 106.402 106.402 106.490 -0.088 25502 11577 1 16 . 1 1 80 80 GLY CA C 80 43.748 43.748 44.068 -0.320 25502 11578 1 16 . 1 1 80 80 GLY H H 80 7.115 7.115 7.706 -0.591 25502 11579 1 16 . 1 1 81 81 GLU N N 81 122.838 122.838 118.875 3.963 25502 11580 1 16 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.027 -0.081 25502 11581 1 16 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.659 1.479 25502 11582 1 16 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.913 0.195 25502 11583 1 16 . 1 1 81 81 GLU H H 81 8.878 8.878 8.701 0.177 25502 11584 1 16 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.475 1.050 25502 11585 1 16 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.886 -2.111 25502 11586 1 16 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.373 2.938 25502 11587 1 16 . 1 1 82 82 LYS H H 82 7.799 7.799 7.607 0.192 25502 11588 1 16 . 1 1 83 83 PHE N N 83 116.432 116.432 114.403 2.029 25502 11589 1 16 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.845 0.100 25502 11590 1 16 . 1 1 83 83 PHE CA C 83 55.737 55.737 56.100 -0.363 25502 11591 1 16 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.269 0.025 25502 11592 1 16 . 1 1 83 83 PHE H H 83 9.147 9.147 8.295 0.852 25502 11593 1 16 . 1 1 84 84 GLU N N 84 119.352 119.352 119.655 -0.303 25502 11594 1 16 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.072 -0.270 25502 11595 1 16 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.389 0.807 25502 11596 1 16 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.849 -1.744 25502 11597 1 16 . 1 1 84 84 GLU H H 84 9.252 9.252 8.388 0.864 25502 11598 1 16 . 1 1 85 85 ASP N N 85 118.583 118.583 121.188 -2.605 25502 11599 1 16 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.555 -0.329 25502 11600 1 16 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.063 -1.089 25502 11601 1 16 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.698 -0.913 25502 11602 1 16 . 1 1 85 85 ASP H H 85 8.593 8.593 8.451 0.142 25502 11603 1 16 . 1 1 86 86 GLU N N 86 131.488 131.488 126.736 4.752 25502 11604 1 16 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.184 -0.389 25502 11605 1 16 . 1 1 86 86 GLU CA C 86 60.273 60.273 58.343 1.930 25502 11606 1 16 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.751 0.888 25502 11607 1 16 . 1 1 86 86 GLU H H 86 9.461 9.461 8.831 0.630 25502 11608 1 16 . 1 1 87 87 ASN N N 87 106.549 106.549 112.360 -5.811 25502 11609 1 16 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.941 0.189 25502 11610 1 16 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.715 0.874 25502 11611 1 16 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.987 -0.638 25502 11612 1 16 . 1 1 87 87 ASN H H 87 7.044 7.044 7.666 -0.622 25502 11613 1 16 . 1 1 88 88 PHE N N 88 112.731 112.731 114.048 -1.317 25502 11614 1 16 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.882 1.045 25502 11615 1 16 . 1 1 88 88 PHE CA C 88 55.688 55.688 55.944 -0.256 25502 11616 1 16 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.525 0.295 25502 11617 1 16 . 1 1 88 88 PHE H H 88 8.319 8.319 8.063 0.256 25502 11618 1 16 . 1 1 89 89 ILE N N 89 119.556 119.556 120.228 -0.672 25502 11619 1 16 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.843 -0.191 25502 11620 1 16 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.867 1.020 25502 11621 1 16 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.764 1.175 25502 11622 1 16 . 1 1 89 89 ILE H H 89 8.302 8.302 7.841 0.461 25502 11623 1 16 . 1 1 90 90 LEU N N 90 116.951 116.951 120.718 -3.767 25502 11624 1 16 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.339 0.117 25502 11625 1 16 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.365 0.820 25502 11626 1 16 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.927 0.983 25502 11627 1 16 . 1 1 90 90 LEU H H 90 7.746 7.746 7.815 -0.069 25502 11628 1 16 . 1 1 91 91 LYS N N 91 118.722 118.722 121.511 -2.789 25502 11629 1 16 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.252 0.376 25502 11630 1 16 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.460 -1.145 25502 11631 1 16 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.494 1.056 25502 11632 1 16 . 1 1 91 91 LYS H H 91 8.057 8.057 8.100 -0.043 25502 11633 1 16 . 1 1 92 92 HIS N N 92 122.221 122.221 121.741 0.480 25502 11634 1 16 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.216 0.126 25502 11635 1 16 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.023 -0.267 25502 11636 1 16 . 1 1 92 92 HIS CB C 92 25.895 25.895 28.822 -2.927 25502 11637 1 16 . 1 1 92 92 HIS H H 92 10.706 10.706 8.390 2.316 25502 11638 1 16 . 1 1 93 93 THR N N 93 110.178 110.178 114.232 -4.054 25502 11639 1 16 . 1 1 93 93 THR HA H 93 4.004 4.004 4.433 -0.429 25502 11640 1 16 . 1 1 93 93 THR CA C 93 63.018 63.018 60.567 2.451 25502 11641 1 16 . 1 1 93 93 THR CB C 93 69.341 69.341 68.932 0.409 25502 11642 1 16 . 1 1 93 93 THR H H 93 7.261 7.261 7.954 -0.693 25502 11643 1 16 . 1 1 94 94 GLY N N 94 106.990 106.990 109.080 -2.090 25502 11644 1 16 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.330 1.124 25502 11645 1 16 . 1 1 94 94 GLY H H 94 7.489 7.489 7.253 0.236 25502 11646 1 16 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.296 -0.492 25502 11647 1 16 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.769 -0.230 25502 11648 1 16 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.335 29.617 25502 11649 1 16 . 1 1 96 96 GLY N N 96 109.908 109.908 107.900 2.008 25502 11650 1 16 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.919 -1.090 25502 11651 1 16 . 1 1 96 96 GLY H H 96 9.271 9.271 8.671 0.600 25502 11652 1 16 . 1 1 97 97 ILE N N 97 121.176 121.176 120.407 0.769 25502 11653 1 16 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.379 -0.264 25502 11654 1 16 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.595 -0.284 25502 11655 1 16 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.409 -0.651 25502 11656 1 16 . 1 1 97 97 ILE H H 97 6.765 6.765 7.350 -0.585 25502 11657 1 16 . 1 1 98 98 LEU N N 98 128.477 128.477 127.611 0.866 25502 11658 1 16 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.709 0.289 25502 11659 1 16 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.969 -0.736 25502 11660 1 16 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.641 -1.016 25502 11661 1 16 . 1 1 98 98 LEU H H 98 7.872 7.872 8.497 -0.625 25502 11662 1 16 . 1 1 99 99 SER N N 99 118.325 118.325 117.269 1.056 25502 11663 1 16 . 1 1 99 99 SER HA H 99 5.316 5.316 5.129 0.187 25502 11664 1 16 . 1 1 99 99 SER CA C 99 54.909 54.909 57.049 -2.140 25502 11665 1 16 . 1 1 99 99 SER CB C 99 65.380 65.380 66.284 -0.904 25502 11666 1 16 . 1 1 99 99 SER H H 99 8.285 8.285 8.683 -0.398 25502 11667 1 16 . 1 1 100 100 MET N N 100 122.826 122.826 122.687 0.139 25502 11668 1 16 . 1 1 100 100 MET HA H 100 5.259 5.259 4.244 1.015 25502 11669 1 16 . 1 1 100 100 MET CA C 100 53.800 53.800 55.288 -1.488 25502 11670 1 16 . 1 1 100 100 MET CB C 100 30.960 30.960 31.565 -0.605 25502 11671 1 16 . 1 1 100 100 MET H H 100 8.544 8.544 8.811 -0.267 25502 11672 1 16 . 1 1 101 101 ALA N N 101 125.971 125.971 127.433 -1.462 25502 11673 1 16 . 1 1 101 101 ALA HA H 101 4.276 4.276 2.970 1.306 25502 11674 1 16 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.671 -0.173 25502 11675 1 16 . 1 1 101 101 ALA CB C 101 19.403 19.403 16.956 2.447 25502 11676 1 16 . 1 1 101 101 ALA H H 101 7.999 7.999 7.810 0.189 25502 11677 1 16 . 1 1 102 102 ASN N N 102 113.207 113.207 120.188 -6.981 25502 11678 1 16 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.670 -0.094 25502 11679 1 16 . 1 1 102 102 ASN CA C 102 53.841 53.841 51.727 2.114 25502 11680 1 16 . 1 1 102 102 ASN CB C 102 40.379 40.379 40.907 -0.527 25502 11681 1 16 . 1 1 102 102 ASN H H 102 8.097 8.097 7.453 0.644 25502 11682 1 16 . 1 1 103 103 ALA N N 103 123.056 123.056 120.517 2.539 25502 11683 1 16 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.136 0.649 25502 11684 1 16 . 1 1 103 103 ALA CA C 103 50.154 50.154 53.736 -3.582 25502 11685 1 16 . 1 1 103 103 ALA CB C 103 19.029 19.029 18.768 0.261 25502 11686 1 16 . 1 1 103 103 ALA H H 103 8.787 8.787 8.779 0.008 25502 11687 1 16 . 1 1 104 104 GLY N N 104 108.942 108.942 105.607 3.335 25502 11688 1 16 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.005 -1.596 25502 11689 1 16 . 1 1 104 104 GLY H H 104 8.111 8.111 8.375 -0.264 25502 11690 1 16 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.359 -0.032 25502 11691 1 16 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.050 0.833 25502 11692 1 16 . 1 1 105 105 PRO CB C 105 31.902 31.902 29.808 2.094 25502 11693 1 16 . 1 1 106 106 ASN N N 106 118.866 118.866 121.442 -2.576 25502 11694 1 16 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.251 -0.254 25502 11695 1 16 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.368 -0.265 25502 11696 1 16 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.297 -0.305 25502 11697 1 16 . 1 1 106 106 ASN H H 106 8.866 8.866 8.061 0.805 25502 11698 1 16 . 1 1 107 107 THR N N 107 109.971 109.971 106.386 3.585 25502 11699 1 16 . 1 1 107 107 THR HA H 107 4.434 4.434 3.802 0.632 25502 11700 1 16 . 1 1 107 107 THR CA C 107 60.040 60.040 63.494 -3.454 25502 11701 1 16 . 1 1 107 107 THR CB C 107 39.196 39.196 67.758 -28.562 25502 11702 1 16 . 1 1 107 107 THR H H 107 10.165 10.165 8.373 1.792 25502 11703 1 16 . 1 1 108 108 ASN N N 108 120.251 120.251 118.143 2.108 25502 11704 1 16 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.269 -0.054 25502 11705 1 16 . 1 1 108 108 ASN CA C 108 55.448 55.448 56.017 -0.569 25502 11706 1 16 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.262 1.338 25502 11707 1 16 . 1 1 108 108 ASN H H 108 7.349 7.349 7.343 0.006 25502 11708 1 16 . 1 1 109 109 GLY N N 109 110.632 110.632 107.113 3.519 25502 11709 1 16 . 1 1 109 109 GLY CA C 109 46.039 46.039 46.111 -0.072 25502 11710 1 16 . 1 1 109 109 GLY H H 109 9.188 9.188 8.313 0.875 25502 11711 1 16 . 1 1 110 110 SER N N 110 116.806 116.806 115.985 0.821 25502 11712 1 16 . 1 1 110 110 SER HA H 110 4.698 4.698 4.447 0.251 25502 11713 1 16 . 1 1 110 110 SER CA C 110 57.454 57.454 57.948 -0.494 25502 11714 1 16 . 1 1 110 110 SER CB C 110 65.964 65.964 63.203 2.761 25502 11715 1 16 . 1 1 110 110 SER H H 110 8.738 8.738 8.385 0.353 25502 11716 1 16 . 1 1 111 111 GLN N N 111 124.263 124.263 121.013 3.250 25502 11717 1 16 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.310 0.858 25502 11718 1 16 . 1 1 111 111 GLN CA C 111 57.494 57.494 56.499 0.995 25502 11719 1 16 . 1 1 111 111 GLN CB C 111 31.632 31.632 30.530 1.102 25502 11720 1 16 . 1 1 111 111 GLN H H 111 8.388 8.388 8.427 -0.039 25502 11721 1 16 . 1 1 112 112 PHE N N 112 117.560 117.560 116.347 1.213 25502 11722 1 16 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.905 1.809 25502 11723 1 16 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.458 -3.011 25502 11724 1 16 . 1 1 112 112 PHE CB C 112 43.000 43.000 38.251 4.749 25502 11725 1 16 . 1 1 112 112 PHE H H 112 8.058 8.058 7.849 0.209 25502 11726 1 16 . 1 1 113 113 PHE N N 113 116.199 116.199 119.774 -3.575 25502 11727 1 16 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.108 1.562 25502 11728 1 16 . 1 1 113 113 PHE CA C 113 54.437 54.437 54.288 0.149 25502 11729 1 16 . 1 1 113 113 PHE CB C 113 42.617 42.617 38.952 3.665 25502 11730 1 16 . 1 1 113 113 PHE H H 113 9.795 9.795 7.778 2.017 25502 11731 1 16 . 1 1 114 114 ILE N N 114 118.391 118.391 122.407 -4.016 25502 11732 1 16 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.755 1.039 25502 11733 1 16 . 1 1 114 114 ILE CA C 114 60.060 60.060 62.502 -2.442 25502 11734 1 16 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.500 2.662 25502 11735 1 16 . 1 1 114 114 ILE H H 114 9.098 9.098 7.004 2.094 25502 11736 1 16 . 1 1 115 115 CYS N N 115 125.271 125.271 128.090 -2.819 25502 11737 1 16 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.387 0.365 25502 11738 1 16 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.817 1.855 25502 11739 1 16 . 1 1 115 115 CYS CB C 115 58.569 58.569 27.549 31.020 25502 11740 1 16 . 1 1 115 115 CYS H H 115 9.597 9.597 8.227 1.370 25502 11741 1 16 . 1 1 116 116 THR N N 116 115.478 115.478 115.294 0.184 25502 11742 1 16 . 1 1 116 116 THR HA H 116 4.324 4.324 4.286 0.038 25502 11743 1 16 . 1 1 116 116 THR CA C 116 60.720 60.720 62.109 -1.389 25502 11744 1 16 . 1 1 116 116 THR CB C 116 66.502 66.502 68.616 -2.114 25502 11745 1 16 . 1 1 116 116 THR H H 116 8.947 8.947 8.202 0.745 25502 11746 1 16 . 1 1 117 117 ALA N N 117 121.996 121.996 121.944 0.052 25502 11747 1 16 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.333 0.025 25502 11748 1 16 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.587 -1.076 25502 11749 1 16 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.185 1.423 25502 11750 1 16 . 1 1 117 117 ALA H H 117 7.602 7.602 7.251 0.351 25502 11751 1 16 . 1 1 118 118 LYS N N 118 119.550 119.550 122.217 -2.667 25502 11752 1 16 . 1 1 118 118 LYS HA H 118 3.779 3.779 4.016 -0.237 25502 11753 1 16 . 1 1 118 118 LYS CA C 118 57.664 57.664 56.945 0.719 25502 11754 1 16 . 1 1 118 118 LYS CB C 118 32.499 32.499 30.827 1.672 25502 11755 1 16 . 1 1 118 118 LYS H H 118 8.690 8.690 8.474 0.216 25502 11756 1 16 . 1 1 119 119 THR N N 119 118.759 118.759 118.514 0.245 25502 11757 1 16 . 1 1 119 119 THR HA H 119 3.623 3.623 1.756 1.867 25502 11758 1 16 . 1 1 119 119 THR CA C 119 57.088 57.088 59.544 -2.457 25502 11759 1 16 . 1 1 119 119 THR H H 119 7.328 7.328 7.970 -0.642 25502 11760 1 16 . 1 1 120 120 GLU N N 120 124.407 124.407 124.070 0.337 25502 11761 1 16 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.977 0.143 25502 11762 1 16 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.551 0.520 25502 11763 1 16 . 1 1 120 120 GLU H H 120 9.092 9.092 7.421 1.671 25502 11764 1 16 . 1 1 121 121 TRP N N 121 117.495 117.495 118.655 -1.160 25502 11765 1 16 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.430 0.223 25502 11766 1 16 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.259 1.202 25502 11767 1 16 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.084 -1.335 25502 11768 1 16 . 1 1 121 121 TRP H H 121 7.251 7.251 7.437 -0.186 25502 11769 1 16 . 1 1 122 122 LEU N N 122 119.528 119.528 120.443 -0.915 25502 11770 1 16 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.963 0.288 25502 11771 1 16 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.482 -1.982 25502 11772 1 16 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.538 -2.639 25502 11773 1 16 . 1 1 122 122 LEU H H 122 7.019 7.019 6.871 0.148 25502 11774 1 16 . 1 1 123 123 ASP N N 123 121.832 121.832 117.422 4.410 25502 11775 1 16 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.278 0.887 25502 11776 1 16 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.131 0.725 25502 11777 1 16 . 1 1 123 123 ASP CB C 123 39.372 39.372 39.291 0.081 25502 11778 1 16 . 1 1 123 123 ASP H H 123 7.607 7.607 7.779 -0.172 25502 11779 1 16 . 1 1 124 124 GLY N N 124 110.836 110.836 106.327 4.509 25502 11780 1 16 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.759 -0.736 25502 11781 1 16 . 1 1 124 124 GLY H H 124 9.522 9.522 8.552 0.970 25502 11782 1 16 . 1 1 125 125 LYS N N 125 115.016 115.016 116.872 -1.856 25502 11783 1 16 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.060 0.049 25502 11784 1 16 . 1 1 125 125 LYS CA C 125 56.248 56.248 57.204 -0.956 25502 11785 1 16 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.689 2.700 25502 11786 1 16 . 1 1 125 125 LYS H H 125 7.727 7.727 8.204 -0.477 25502 11787 1 16 . 1 1 126 126 HIS N N 126 119.223 119.223 113.375 5.848 25502 11788 1 16 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.843 -0.044 25502 11789 1 16 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.599 -0.040 25502 11790 1 16 . 1 1 126 126 HIS H H 126 7.571 7.571 7.559 0.012 25502 11791 1 16 . 1 1 127 127 VAL N N 127 124.730 124.730 119.939 4.791 25502 11792 1 16 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.440 -0.182 25502 11793 1 16 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.367 2.280 25502 11794 1 16 . 1 1 127 127 VAL CB C 127 33.416 33.416 34.074 -0.658 25502 11795 1 16 . 1 1 127 127 VAL H H 127 8.474 8.474 8.764 -0.290 25502 11796 1 16 . 1 1 128 128 VAL N N 128 132.814 132.814 127.805 5.009 25502 11797 1 16 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.411 -0.261 25502 11798 1 16 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.413 -1.044 25502 11799 1 16 . 1 1 128 128 VAL H H 128 9.470 9.470 8.809 0.661 25502 11800 1 16 . 1 1 129 129 PHE N N 129 117.478 117.478 121.710 -4.232 25502 11801 1 16 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.031 0.222 25502 11802 1 16 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.276 -0.369 25502 11803 1 16 . 1 1 129 129 PHE CB C 129 42.456 42.456 40.030 2.426 25502 11804 1 16 . 1 1 129 129 PHE H H 129 8.086 8.086 8.208 -0.122 25502 11805 1 16 . 1 1 130 130 GLY N N 130 110.497 110.497 108.212 2.285 25502 11806 1 16 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.051 1.343 25502 11807 1 16 . 1 1 130 130 GLY H H 130 7.297 7.297 7.436 -0.139 25502 11808 1 16 . 1 1 131 131 LYS N N 131 115.059 115.059 118.421 -3.362 25502 11809 1 16 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.827 0.380 25502 11810 1 16 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.429 -0.634 25502 11811 1 16 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.656 0.196 25502 11812 1 16 . 1 1 131 131 LYS H H 131 8.353 8.353 8.243 0.110 25502 11813 1 16 . 1 1 132 132 VAL N N 132 123.802 123.802 125.992 -2.190 25502 11814 1 16 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.772 0.116 25502 11815 1 16 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.772 -0.825 25502 11816 1 16 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.374 2.173 25502 11817 1 16 . 1 1 132 132 VAL H H 132 9.015 9.015 8.764 0.251 25502 11818 1 16 . 1 1 133 133 LYS N N 133 131.324 131.324 127.894 3.430 25502 11819 1 16 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.131 0.293 25502 11820 1 16 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.304 -0.645 25502 11821 1 16 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.364 0.504 25502 11822 1 16 . 1 1 133 133 LYS H H 133 9.469 9.469 8.751 0.718 25502 11823 1 16 . 1 1 134 134 GLU N N 134 118.178 118.178 116.181 1.997 25502 11824 1 16 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.399 0.160 25502 11825 1 16 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.621 -0.473 25502 11826 1 16 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.361 0.375 25502 11827 1 16 . 1 1 134 134 GLU H H 134 7.543 7.543 7.652 -0.109 25502 11828 1 16 . 1 1 135 135 GLY N N 135 107.767 107.767 109.022 -1.255 25502 11829 1 16 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.443 0.424 25502 11830 1 16 . 1 1 135 135 GLY H H 135 8.693 8.693 8.717 -0.024 25502 11831 1 16 . 1 1 136 136 MET N N 136 122.307 122.307 118.995 3.312 25502 11832 1 16 . 1 1 136 136 MET HA H 136 4.437 4.437 4.057 0.380 25502 11833 1 16 . 1 1 136 136 MET CA C 136 56.659 56.659 57.020 -0.361 25502 11834 1 16 . 1 1 136 136 MET CB C 136 30.025 30.025 31.722 -1.697 25502 11835 1 16 . 1 1 136 136 MET H H 136 8.790 8.790 8.528 0.262 25502 11836 1 16 . 1 1 137 137 ASN N N 137 114.221 114.221 117.308 -3.087 25502 11837 1 16 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.437 0.013 25502 11838 1 16 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.747 0.179 25502 11839 1 16 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.471 -1.654 25502 11840 1 16 . 1 1 137 137 ASN H H 137 8.849 8.849 8.523 0.326 25502 11841 1 16 . 1 1 138 138 ILE N N 138 123.949 123.949 119.808 4.141 25502 11842 1 16 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.939 -0.189 25502 11843 1 16 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.038 -1.707 25502 11844 1 16 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.544 -2.204 25502 11845 1 16 . 1 1 138 138 ILE H H 138 7.642 7.642 8.399 -0.757 25502 11846 1 16 . 1 1 139 139 VAL N N 139 121.654 121.654 118.770 2.884 25502 11847 1 16 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.744 0.100 25502 11848 1 16 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.560 -0.529 25502 11849 1 16 . 1 1 139 139 VAL CB C 139 30.976 30.976 30.962 0.014 25502 11850 1 16 . 1 1 139 139 VAL H H 139 7.244 7.244 7.683 -0.439 25502 11851 1 16 . 1 1 140 140 GLU N N 140 117.078 117.078 118.868 -1.790 25502 11852 1 16 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.189 -0.146 25502 11853 1 16 . 1 1 140 140 GLU CA C 140 59.162 59.162 59.380 -0.218 25502 11854 1 16 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.395 0.024 25502 11855 1 16 . 1 1 140 140 GLU H H 140 8.291 8.291 7.764 0.527 25502 11856 1 16 . 1 1 141 141 ALA N N 141 120.813 120.813 122.297 -1.484 25502 11857 1 16 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.110 -0.049 25502 11858 1 16 . 1 1 141 141 ALA CA C 141 54.729 54.729 55.060 -0.331 25502 11859 1 16 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.645 -0.629 25502 11860 1 16 . 1 1 141 141 ALA H H 141 7.495 7.495 7.208 0.287 25502 11861 1 16 . 1 1 142 142 MET N N 142 117.301 117.301 117.306 -0.005 25502 11862 1 16 . 1 1 142 142 MET HA H 142 3.938 3.938 4.363 -0.425 25502 11863 1 16 . 1 1 142 142 MET CA C 142 59.610 59.610 59.165 0.445 25502 11864 1 16 . 1 1 142 142 MET CB C 142 33.678 33.678 32.500 1.178 25502 11865 1 16 . 1 1 142 142 MET H H 142 8.259 8.259 8.041 0.218 25502 11866 1 16 . 1 1 143 143 GLU N N 143 116.052 116.052 118.868 -2.816 25502 11867 1 16 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.048 -0.332 25502 11868 1 16 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.609 -0.427 25502 11869 1 16 . 1 1 143 143 GLU CB C 143 30.271 30.271 29.371 0.900 25502 11870 1 16 . 1 1 143 143 GLU H H 143 7.832 7.832 8.024 -0.192 25502 11871 1 16 . 1 1 144 144 ARG N N 144 114.357 114.357 119.352 -4.995 25502 11872 1 16 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.075 -0.153 25502 11873 1 16 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.734 -0.192 25502 11874 1 16 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.561 -0.258 25502 11875 1 16 . 1 1 144 144 ARG H H 144 7.034 7.034 7.509 -0.475 25502 11876 1 16 . 1 1 145 145 PHE N N 145 115.146 115.146 117.890 -2.744 25502 11877 1 16 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.751 0.042 25502 11878 1 16 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.177 0.437 25502 11879 1 16 . 1 1 145 145 PHE CB C 145 38.913 38.913 38.752 0.161 25502 11880 1 16 . 1 1 145 145 PHE H H 145 7.624 7.624 7.751 -0.127 25502 11881 1 16 . 1 1 146 146 GLY N N 146 104.498 104.498 107.121 -2.623 25502 11882 1 16 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.807 0.342 25502 11883 1 16 . 1 1 146 146 GLY H H 146 7.514 7.514 7.440 0.074 25502 11884 1 16 . 1 1 147 147 SER N N 147 109.815 109.815 116.658 -6.843 25502 11885 1 16 . 1 1 147 147 SER HA H 147 4.755 4.755 4.711 0.044 25502 11886 1 16 . 1 1 147 147 SER CA C 147 58.033 58.033 57.159 0.874 25502 11887 1 16 . 1 1 147 147 SER H H 147 8.190 8.190 8.092 0.098 25502 11888 1 16 . 1 1 148 148 ARG N N 148 119.789 119.789 125.265 -5.476 25502 11889 1 16 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.239 -0.072 25502 11890 1 16 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.592 2.899 25502 11891 1 16 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.509 2.153 25502 11892 1 16 . 1 1 148 148 ARG H H 148 8.795 8.795 8.873 -0.078 25502 11893 1 16 . 1 1 149 149 ASN N N 149 111.378 111.378 117.168 -5.790 25502 11894 1 16 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.715 0.119 25502 11895 1 16 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.400 -1.280 25502 11896 1 16 . 1 1 149 149 ASN CB C 149 38.241 38.241 40.057 -1.816 25502 11897 1 16 . 1 1 149 149 ASN H H 149 7.841 7.841 8.654 -0.813 25502 11898 1 16 . 1 1 150 150 GLY N N 150 109.893 109.893 110.023 -0.130 25502 11899 1 16 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.327 -0.430 25502 11900 1 16 . 1 1 150 150 GLY H H 150 8.040 8.040 7.857 0.183 25502 11901 1 16 . 1 1 151 151 LYS N N 151 119.608 119.608 123.290 -3.682 25502 11902 1 16 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.269 0.136 25502 11903 1 16 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.749 -0.704 25502 11904 1 16 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.050 -0.781 25502 11905 1 16 . 1 1 151 151 LYS H H 151 7.525 7.525 8.366 -0.841 25502 11906 1 16 . 1 1 152 152 THR N N 152 116.317 116.317 109.266 7.051 25502 11907 1 16 . 1 1 152 152 THR HA H 152 5.532 5.532 4.890 0.642 25502 11908 1 16 . 1 1 152 152 THR CA C 152 59.953 59.953 59.603 0.350 25502 11909 1 16 . 1 1 152 152 THR CB C 152 71.108 71.108 71.899 -0.791 25502 11910 1 16 . 1 1 152 152 THR H H 152 8.823 8.823 8.212 0.611 25502 11911 1 16 . 1 1 153 153 SER N N 153 116.804 116.804 115.528 1.276 25502 11912 1 16 . 1 1 153 153 SER HA H 153 4.456 4.456 4.369 0.087 25502 11913 1 16 . 1 1 153 153 SER CA C 153 58.712 58.712 60.308 -1.596 25502 11914 1 16 . 1 1 153 153 SER CB C 153 63.477 63.477 63.412 0.065 25502 11915 1 16 . 1 1 153 153 SER H H 153 9.412 9.412 8.720 0.692 25502 11916 1 16 . 1 1 154 154 LYS N N 154 119.068 119.068 122.039 -2.971 25502 11917 1 16 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.297 0.235 25502 11918 1 16 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.077 -1.677 25502 11919 1 16 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.509 4.897 25502 11920 1 16 . 1 1 154 154 LYS H H 154 7.527 7.527 7.764 -0.237 25502 11921 1 16 . 1 1 155 155 LYS N N 155 121.541 121.541 122.396 -0.855 25502 11922 1 16 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.597 -0.284 25502 11923 1 16 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.372 0.775 25502 11924 1 16 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.898 -0.909 25502 11925 1 16 . 1 1 155 155 LYS H H 155 8.791 8.791 8.362 0.429 25502 11926 1 16 . 1 1 156 156 ILE N N 156 133.980 133.980 130.921 3.059 25502 11927 1 16 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.111 -0.018 25502 11928 1 16 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.851 -1.587 25502 11929 1 16 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.927 -1.087 25502 11930 1 16 . 1 1 156 156 ILE H H 156 9.606 9.606 8.609 0.997 25502 11931 1 16 . 1 1 157 157 THR N N 157 116.977 116.977 119.689 -2.712 25502 11932 1 16 . 1 1 157 157 THR HA H 157 5.274 5.274 4.965 0.309 25502 11933 1 16 . 1 1 157 157 THR CA C 157 59.475 59.475 59.886 -0.411 25502 11934 1 16 . 1 1 157 157 THR CB C 157 72.475 72.475 72.353 0.122 25502 11935 1 16 . 1 1 157 157 THR H H 157 9.233 9.233 8.215 1.018 25502 11936 1 16 . 1 1 158 158 ILE N N 158 121.529 121.529 121.054 0.475 25502 11937 1 16 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.902 -0.660 25502 11938 1 16 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.663 0.205 25502 11939 1 16 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.447 -1.657 25502 11940 1 16 . 1 1 158 158 ILE H H 158 8.580 8.580 8.618 -0.038 25502 11941 1 16 . 1 1 159 159 ALA N N 159 132.313 132.313 131.842 0.471 25502 11942 1 16 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.232 -0.108 25502 11943 1 16 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.770 0.303 25502 11944 1 16 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.620 -0.607 25502 11945 1 16 . 1 1 159 159 ALA H H 159 8.873 8.873 8.915 -0.042 25502 11946 1 16 . 1 1 160 160 ASP N N 160 111.257 111.257 116.983 -5.726 25502 11947 1 16 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.799 0.091 25502 11948 1 16 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.391 -0.752 25502 11949 1 16 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.798 -0.211 25502 11950 1 16 . 1 1 160 160 ASP H H 160 8.066 8.066 7.888 0.178 25502 11951 1 16 . 1 1 161 161 CYS N N 161 115.837 115.837 117.442 -1.605 25502 11952 1 16 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.414 1.130 25502 11953 1 16 . 1 1 161 161 CYS CA C 161 55.148 55.148 56.231 -1.083 25502 11954 1 16 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.128 0.009 25502 11955 1 16 . 1 1 161 161 CYS H H 161 8.591 8.591 8.182 0.409 25502 11956 1 16 . 1 1 162 162 GLY N N 162 103.888 103.888 108.095 -4.207 25502 11957 1 16 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.152 0.197 25502 11958 1 16 . 1 1 162 162 GLY H H 162 6.844 6.844 6.887 -0.043 25502 11959 1 16 . 1 1 163 163 GLN N N 163 120.718 120.718 120.630 0.088 25502 11960 1 16 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.613 0.456 25502 11961 1 16 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.876 -2.067 25502 11962 1 16 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.395 1.195 25502 11963 1 16 . 1 1 163 163 GLN H H 163 9.066 9.066 8.471 0.595 25502 11964 1 16 . 1 1 164 164 LEU N N 164 125.816 125.816 126.431 -0.615 25502 11965 1 16 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.450 0.157 25502 11966 1 16 . 1 1 164 164 LEU CA C 164 54.739 54.739 55.997 -1.258 25502 11967 1 16 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.056 1.306 25502 11968 1 16 . 1 1 164 164 LEU H H 164 8.593 8.593 9.087 -0.494 25502 11969 1 17 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.241 -0.065 25502 11970 1 17 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.308 -0.816 25502 11971 1 17 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.003 0.123 25502 11972 1 17 . 1 1 3 3 ASN N N 3 126.515 126.515 126.059 0.456 25502 11973 1 17 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.056 0.081 25502 11974 1 17 . 1 1 3 3 ASN CA C 3 51.008 51.008 52.021 -1.013 25502 11975 1 17 . 1 1 3 3 ASN CB C 3 37.799 37.799 38.680 -0.881 25502 11976 1 17 . 1 1 3 3 ASN H H 3 8.600 8.600 8.453 0.147 25502 11977 1 17 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.416 0.337 25502 11978 1 17 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.676 -0.007 25502 11979 1 17 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.753 0.385 25502 11980 1 17 . 1 1 5 5 THR N N 5 114.826 114.826 115.119 -0.293 25502 11981 1 17 . 1 1 5 5 THR HA H 5 5.716 5.716 4.960 0.756 25502 11982 1 17 . 1 1 5 5 THR CA C 5 60.698 60.698 61.377 -0.679 25502 11983 1 17 . 1 1 5 5 THR CB C 5 41.142 41.142 71.821 -30.679 25502 11984 1 17 . 1 1 5 5 THR H H 5 8.771 8.771 8.116 0.655 25502 11985 1 17 . 1 1 6 6 VAL N N 6 120.113 120.113 123.575 -3.462 25502 11986 1 17 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.504 -0.165 25502 11987 1 17 . 1 1 6 6 VAL CA C 6 58.797 58.797 58.844 -0.047 25502 11988 1 17 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.355 0.780 25502 11989 1 17 . 1 1 6 6 VAL H H 6 8.741 8.741 8.465 0.276 25502 11990 1 17 . 1 1 7 7 PHE N N 7 118.968 118.968 122.887 -3.919 25502 11991 1 17 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.012 0.883 25502 11992 1 17 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.049 0.639 25502 11993 1 17 . 1 1 7 7 PHE CB C 7 43.043 43.043 42.014 1.030 25502 11994 1 17 . 1 1 7 7 PHE H H 7 8.954 8.954 8.272 0.682 25502 11995 1 17 . 1 1 8 8 PHE N N 8 116.774 116.774 121.013 -4.239 25502 11996 1 17 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.801 0.516 25502 11997 1 17 . 1 1 8 8 PHE CA C 8 53.423 53.423 56.513 -3.090 25502 11998 1 17 . 1 1 8 8 PHE CB C 8 42.870 42.870 40.950 1.920 25502 11999 1 17 . 1 1 8 8 PHE H H 8 9.540 9.540 8.731 0.809 25502 12000 1 17 . 1 1 9 9 ASP N N 9 123.959 123.959 125.163 -1.204 25502 12001 1 17 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.645 0.888 25502 12002 1 17 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.937 -1.172 25502 12003 1 17 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.953 -0.640 25502 12004 1 17 . 1 1 9 9 ASP H H 9 9.266 9.266 9.129 0.137 25502 12005 1 17 . 1 1 10 10 ILE N N 10 124.122 124.122 126.704 -2.582 25502 12006 1 17 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.489 0.683 25502 12007 1 17 . 1 1 10 10 ILE CA C 10 58.159 58.159 59.643 -1.484 25502 12008 1 17 . 1 1 10 10 ILE CB C 10 37.703 37.703 36.890 0.813 25502 12009 1 17 . 1 1 10 10 ILE H H 10 9.030 9.030 7.921 1.109 25502 12010 1 17 . 1 1 11 11 ALA N N 11 132.244 132.244 131.414 0.830 25502 12011 1 17 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.649 0.516 25502 12012 1 17 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.263 0.401 25502 12013 1 17 . 1 1 11 11 ALA CB C 11 52.561 52.561 20.844 31.717 25502 12014 1 17 . 1 1 11 11 ALA H H 11 9.603 9.603 9.239 0.364 25502 12015 1 17 . 1 1 12 12 VAL N N 12 118.199 118.199 125.845 -7.646 25502 12016 1 17 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.736 -0.225 25502 12017 1 17 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.254 -0.828 25502 12018 1 17 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.221 0.960 25502 12019 1 17 . 1 1 12 12 VAL H H 12 8.943 8.943 8.598 0.345 25502 12020 1 17 . 1 1 13 13 ASP N N 13 130.748 130.748 129.998 0.750 25502 12021 1 17 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.272 0.048 25502 12022 1 17 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.488 0.338 25502 12023 1 17 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.015 -0.180 25502 12024 1 17 . 1 1 13 13 ASP H H 13 9.846 9.846 9.079 0.767 25502 12025 1 17 . 1 1 14 14 GLY N N 14 101.493 101.493 103.776 -2.283 25502 12026 1 17 . 1 1 14 14 GLY CA C 14 45.082 45.082 45.300 -0.218 25502 12027 1 17 . 1 1 14 14 GLY H H 14 8.558 8.558 8.745 -0.187 25502 12028 1 17 . 1 1 15 15 GLU N N 15 123.014 123.014 120.593 2.421 25502 12029 1 17 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.734 0.102 25502 12030 1 17 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.429 0.324 25502 12031 1 17 . 1 1 15 15 GLU CB C 15 30.236 30.236 29.747 0.489 25502 12032 1 17 . 1 1 15 15 GLU H H 15 8.046 8.046 7.651 0.395 25502 12033 1 17 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.780 -0.604 25502 12034 1 17 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.714 1.832 25502 12035 1 17 . 1 1 16 16 PRO CB C 16 62.111 62.111 31.924 30.187 25502 12036 1 17 . 1 1 17 17 LEU N N 17 125.784 125.784 125.194 0.590 25502 12037 1 17 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.129 0.558 25502 12038 1 17 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.498 -1.150 25502 12039 1 17 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.201 1.956 25502 12040 1 17 . 1 1 17 17 LEU H H 17 9.189 9.189 8.398 0.791 25502 12041 1 17 . 1 1 18 18 GLY N N 18 102.200 102.200 104.536 -2.336 25502 12042 1 17 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.966 0.003 25502 12043 1 17 . 1 1 18 18 GLY H H 18 7.256 7.256 7.308 -0.052 25502 12044 1 17 . 1 1 19 19 ARG N N 19 120.995 120.995 121.641 -0.646 25502 12045 1 17 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.733 0.889 25502 12046 1 17 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.029 -0.014 25502 12047 1 17 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.149 0.191 25502 12048 1 17 . 1 1 19 19 ARG H H 19 8.320 8.320 8.294 0.026 25502 12049 1 17 . 1 1 20 20 VAL N N 20 126.616 126.616 123.025 3.591 25502 12050 1 17 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.867 -0.264 25502 12051 1 17 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.589 -0.648 25502 12052 1 17 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.296 2.587 25502 12053 1 17 . 1 1 20 20 VAL H H 20 9.364 9.364 8.571 0.793 25502 12054 1 17 . 1 1 21 21 SER N N 21 120.061 120.061 121.294 -1.233 25502 12055 1 17 . 1 1 21 21 SER HA H 21 5.515 5.515 5.169 0.346 25502 12056 1 17 . 1 1 21 21 SER CA C 21 55.317 55.317 55.609 -0.292 25502 12057 1 17 . 1 1 21 21 SER CB C 21 36.773 36.773 65.825 -29.052 25502 12058 1 17 . 1 1 21 21 SER H H 21 8.768 8.768 7.977 0.791 25502 12059 1 17 . 1 1 22 22 PHE N N 22 118.878 118.878 117.413 1.465 25502 12060 1 17 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.282 -0.045 25502 12061 1 17 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.743 -1.055 25502 12062 1 17 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.212 -0.638 25502 12063 1 17 . 1 1 22 22 PHE H H 22 9.508 9.508 9.192 0.316 25502 12064 1 17 . 1 1 23 23 GLU N N 23 122.926 122.926 123.298 -0.372 25502 12065 1 17 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.640 0.109 25502 12066 1 17 . 1 1 23 23 GLU CA C 23 54.949 54.949 54.777 0.172 25502 12067 1 17 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.527 1.102 25502 12068 1 17 . 1 1 23 23 GLU H H 23 8.740 8.740 9.021 -0.281 25502 12069 1 17 . 1 1 24 24 LEU N N 24 122.262 122.262 128.030 -5.768 25502 12070 1 17 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.542 0.155 25502 12071 1 17 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.249 -2.698 25502 12072 1 17 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.635 0.485 25502 12073 1 17 . 1 1 24 24 LEU H H 24 8.185 8.185 7.921 0.264 25502 12074 1 17 . 1 1 25 25 PHE N N 25 124.423 124.423 124.093 0.330 25502 12075 1 17 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.628 0.480 25502 12076 1 17 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.280 -2.990 25502 12077 1 17 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.461 -0.500 25502 12078 1 17 . 1 1 25 25 PHE H H 25 8.815 8.815 9.319 -0.504 25502 12079 1 17 . 1 1 26 26 ALA N N 26 128.683 128.683 123.827 4.856 25502 12080 1 17 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.364 -0.593 25502 12081 1 17 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.530 -0.244 25502 12082 1 17 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.662 -0.037 25502 12083 1 17 . 1 1 26 26 ALA H H 26 8.433 8.433 7.919 0.514 25502 12084 1 17 . 1 1 27 27 ASP N N 27 114.069 114.069 117.567 -3.498 25502 12085 1 17 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.554 -0.311 25502 12086 1 17 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.715 -1.387 25502 12087 1 17 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.644 -1.789 25502 12088 1 17 . 1 1 27 27 ASP H H 27 9.052 9.052 8.413 0.639 25502 12089 1 17 . 1 1 28 28 LYS N N 28 117.763 117.763 117.681 0.082 25502 12090 1 17 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.468 0.103 25502 12091 1 17 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.930 -0.698 25502 12092 1 17 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.523 1.399 25502 12093 1 17 . 1 1 28 28 LYS H H 28 7.545 7.545 7.928 -0.383 25502 12094 1 17 . 1 1 29 29 VAL N N 29 114.212 114.212 115.009 -0.797 25502 12095 1 17 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.914 -0.463 25502 12096 1 17 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.520 -0.431 25502 12097 1 17 . 1 1 29 29 VAL CB C 29 31.745 31.745 30.701 1.044 25502 12098 1 17 . 1 1 29 29 VAL H H 29 8.368 8.368 8.158 0.210 25502 12099 1 17 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.442 -0.047 25502 12100 1 17 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.575 0.508 25502 12101 1 17 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.824 -0.520 25502 12102 1 17 . 1 1 31 31 LYS N N 31 123.500 123.500 118.084 5.416 25502 12103 1 17 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.044 -0.037 25502 12104 1 17 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.702 1.654 25502 12105 1 17 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.721 0.558 25502 12106 1 17 . 1 1 31 31 LYS H H 31 10.663 10.663 7.745 2.918 25502 12107 1 17 . 1 1 32 32 THR N N 32 123.707 123.707 114.778 8.929 25502 12108 1 17 . 1 1 32 32 THR HA H 32 3.988 3.988 3.734 0.254 25502 12109 1 17 . 1 1 32 32 THR CA C 32 37.678 37.678 64.943 -27.265 25502 12110 1 17 . 1 1 32 32 THR CB C 32 38.883 38.883 68.799 -29.916 25502 12111 1 17 . 1 1 32 32 THR H H 32 10.283 10.283 7.631 2.652 25502 12112 1 17 . 1 1 33 33 ALA N N 33 125.366 125.366 124.253 1.113 25502 12113 1 17 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.338 -0.301 25502 12114 1 17 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.276 0.591 25502 12115 1 17 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.381 -0.146 25502 12116 1 17 . 1 1 33 33 ALA H H 33 9.281 9.281 8.270 1.011 25502 12117 1 17 . 1 1 34 34 GLU N N 34 117.040 117.040 118.218 -1.178 25502 12118 1 17 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.912 0.597 25502 12119 1 17 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.815 -1.929 25502 12120 1 17 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.527 28.376 25502 12121 1 17 . 1 1 34 34 GLU H H 34 8.027 8.027 8.443 -0.416 25502 12122 1 17 . 1 1 35 35 ASN N N 35 115.398 115.398 118.197 -2.799 25502 12123 1 17 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.502 -0.448 25502 12124 1 17 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.361 0.270 25502 12125 1 17 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.414 1.051 25502 12126 1 17 . 1 1 35 35 ASN H H 35 7.139 7.139 7.529 -0.390 25502 12127 1 17 . 1 1 36 36 PHE N N 36 117.607 117.607 121.235 -3.628 25502 12128 1 17 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.445 -0.336 25502 12129 1 17 . 1 1 36 36 PHE CA C 36 61.391 61.391 59.874 1.517 25502 12130 1 17 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.116 0.897 25502 12131 1 17 . 1 1 36 36 PHE H H 36 7.012 7.012 7.825 -0.813 25502 12132 1 17 . 1 1 37 37 ARG N N 37 120.804 120.804 120.123 0.681 25502 12133 1 17 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.906 -0.274 25502 12134 1 17 . 1 1 37 37 ARG CA C 37 60.381 60.381 58.988 1.393 25502 12135 1 17 . 1 1 37 37 ARG CB C 37 29.860 29.860 29.672 0.188 25502 12136 1 17 . 1 1 37 37 ARG H H 37 8.935 8.935 8.645 0.290 25502 12137 1 17 . 1 1 38 38 ALA N N 38 118.869 118.869 122.762 -3.893 25502 12138 1 17 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.125 -0.056 25502 12139 1 17 . 1 1 38 38 ALA CA C 38 54.340 54.340 54.864 -0.523 25502 12140 1 17 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.252 -0.017 25502 12141 1 17 . 1 1 38 38 ALA H H 38 8.687 8.687 7.984 0.703 25502 12142 1 17 . 1 1 39 39 LEU N N 39 120.488 120.488 118.771 1.717 25502 12143 1 17 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.845 -0.101 25502 12144 1 17 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.639 -0.524 25502 12145 1 17 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.779 -0.753 25502 12146 1 17 . 1 1 39 39 LEU H H 39 8.173 8.173 7.573 0.600 25502 12147 1 17 . 1 1 40 40 SER N N 40 118.952 118.952 114.438 4.514 25502 12148 1 17 . 1 1 40 40 SER HA H 40 4.444 4.444 3.887 0.557 25502 12149 1 17 . 1 1 40 40 SER CA C 40 62.334 62.334 61.557 0.777 25502 12150 1 17 . 1 1 40 40 SER CB C 40 62.884 62.884 62.438 0.446 25502 12151 1 17 . 1 1 40 40 SER H H 40 7.900 7.900 8.206 -0.306 25502 12152 1 17 . 1 1 41 41 THR N N 41 108.208 108.208 110.655 -2.447 25502 12153 1 17 . 1 1 41 41 THR HA H 41 4.288 4.288 4.107 0.181 25502 12154 1 17 . 1 1 41 41 THR CA C 41 62.810 62.810 64.403 -1.593 25502 12155 1 17 . 1 1 41 41 THR CB C 41 69.221 69.221 69.181 0.040 25502 12156 1 17 . 1 1 41 41 THR H H 41 7.974 7.974 7.906 0.068 25502 12157 1 17 . 1 1 42 42 GLY N N 42 108.122 108.122 109.603 -1.481 25502 12158 1 17 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.748 0.009 25502 12159 1 17 . 1 1 42 42 GLY H H 42 7.582 7.582 7.414 0.168 25502 12160 1 17 . 1 1 43 43 GLU N N 43 118.454 118.454 121.785 -3.331 25502 12161 1 17 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.977 0.143 25502 12162 1 17 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.259 0.098 25502 12163 1 17 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.088 0.854 25502 12164 1 17 . 1 1 43 43 GLU H H 43 8.009 8.009 7.726 0.283 25502 12165 1 17 . 1 1 44 44 LYS N N 44 118.055 118.055 119.374 -1.319 25502 12166 1 17 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.875 0.406 25502 12167 1 17 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.979 -3.859 25502 12168 1 17 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.301 -2.005 25502 12169 1 17 . 1 1 44 44 LYS H H 44 9.102 9.102 7.938 1.165 25502 12170 1 17 . 1 1 45 45 GLY N N 45 105.305 105.305 105.977 -0.672 25502 12171 1 17 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.354 -0.823 25502 12172 1 17 . 1 1 45 45 GLY H H 45 7.939 7.939 8.073 -0.134 25502 12173 1 17 . 1 1 46 46 PHE N N 46 113.461 113.461 117.522 -4.061 25502 12174 1 17 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.576 0.048 25502 12175 1 17 . 1 1 46 46 PHE CA C 46 53.881 53.881 57.076 -3.195 25502 12176 1 17 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.136 0.332 25502 12177 1 17 . 1 1 46 46 PHE H H 46 6.413 6.413 7.306 -0.893 25502 12178 1 17 . 1 1 47 47 GLY N N 47 104.416 104.416 109.122 -4.706 25502 12179 1 17 . 1 1 47 47 GLY CA C 47 45.458 45.458 44.763 0.695 25502 12180 1 17 . 1 1 47 47 GLY H H 47 7.686 7.686 6.985 0.701 25502 12181 1 17 . 1 1 48 48 TYR N N 48 113.530 113.530 115.010 -1.480 25502 12182 1 17 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.335 -0.127 25502 12183 1 17 . 1 1 48 48 TYR CA C 48 57.039 57.039 54.723 2.316 25502 12184 1 17 . 1 1 48 48 TYR CB C 48 38.419 38.419 36.133 2.286 25502 12185 1 17 . 1 1 48 48 TYR H H 48 6.887 6.887 7.871 -0.984 25502 12186 1 17 . 1 1 49 49 LYS N N 49 124.631 124.631 121.252 3.379 25502 12187 1 17 . 1 1 49 49 LYS HA H 49 3.595 3.595 3.722 -0.127 25502 12188 1 17 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.990 2.892 25502 12189 1 17 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.418 -1.250 25502 12190 1 17 . 1 1 49 49 LYS H H 49 8.474 8.474 7.405 1.069 25502 12191 1 17 . 1 1 50 50 GLY N N 50 117.591 117.591 112.940 4.651 25502 12192 1 17 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.674 -0.633 25502 12193 1 17 . 1 1 50 50 GLY H H 50 9.482 9.482 8.805 0.677 25502 12194 1 17 . 1 1 51 51 SER N N 51 116.156 116.156 114.064 2.092 25502 12195 1 17 . 1 1 51 51 SER HA H 51 4.658 4.658 4.504 0.154 25502 12196 1 17 . 1 1 51 51 SER CA C 51 58.682 58.682 59.356 -0.674 25502 12197 1 17 . 1 1 51 51 SER CB C 51 64.607 64.607 65.065 -0.458 25502 12198 1 17 . 1 1 51 51 SER H H 51 8.397 8.397 7.808 0.590 25502 12199 1 17 . 1 1 52 52 CYS N N 52 114.800 114.800 117.698 -2.898 25502 12200 1 17 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.033 0.862 25502 12201 1 17 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.702 -0.737 25502 12202 1 17 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.148 1.571 25502 12203 1 17 . 1 1 52 52 CYS H H 52 9.858 9.858 8.461 1.397 25502 12204 1 17 . 1 1 53 53 PHE N N 53 122.839 122.839 124.187 -1.348 25502 12205 1 17 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.822 0.031 25502 12206 1 17 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.514 0.569 25502 12207 1 17 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.524 -1.796 25502 12208 1 17 . 1 1 53 53 PHE H H 53 8.702 8.702 8.671 0.031 25502 12209 1 17 . 1 1 54 54 HIS N N 54 119.944 119.944 123.963 -4.019 25502 12210 1 17 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.829 -0.123 25502 12211 1 17 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.770 1.215 25502 12212 1 17 . 1 1 54 54 HIS CB C 54 31.344 31.344 31.123 0.221 25502 12213 1 17 . 1 1 54 54 HIS H H 54 7.623 7.623 8.390 -0.767 25502 12214 1 17 . 1 1 55 55 ARG N N 55 122.758 122.758 120.788 1.970 25502 12215 1 17 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.578 0.521 25502 12216 1 17 . 1 1 55 55 ARG CA C 55 54.703 54.703 55.809 -1.106 25502 12217 1 17 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.770 3.001 25502 12218 1 17 . 1 1 55 55 ARG H H 55 7.031 7.031 7.987 -0.956 25502 12219 1 17 . 1 1 56 56 ILE N N 56 126.170 126.170 122.971 3.199 25502 12220 1 17 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.389 0.200 25502 12221 1 17 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.048 0.403 25502 12222 1 17 . 1 1 56 56 ILE CB C 56 41.632 41.632 40.372 1.260 25502 12223 1 17 . 1 1 56 56 ILE H H 56 9.166 9.166 8.278 0.888 25502 12224 1 17 . 1 1 57 57 ILE N N 57 127.731 127.731 128.017 -0.286 25502 12225 1 17 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.908 0.289 25502 12226 1 17 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.774 -0.160 25502 12227 1 17 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.224 0.791 25502 12228 1 17 . 1 1 57 57 ILE H H 57 8.718 8.718 8.346 0.372 25502 12229 1 17 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.479 -0.155 25502 12230 1 17 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.245 -0.296 25502 12231 1 17 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.460 1.451 25502 12232 1 17 . 1 1 59 59 GLY N N 59 113.877 113.877 111.603 2.274 25502 12233 1 17 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.731 -0.553 25502 12234 1 17 . 1 1 59 59 GLY H H 59 9.679 9.679 8.374 1.305 25502 12235 1 17 . 1 1 60 60 PHE N N 60 118.955 118.955 121.912 -2.957 25502 12236 1 17 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.953 0.140 25502 12237 1 17 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.303 -1.558 25502 12238 1 17 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.240 -3.547 25502 12239 1 17 . 1 1 60 60 PHE H H 60 8.095 8.095 7.962 0.133 25502 12240 1 17 . 1 1 61 61 MET N N 61 110.963 110.963 110.509 0.454 25502 12241 1 17 . 1 1 61 61 MET HA H 61 5.311 5.311 5.023 0.288 25502 12242 1 17 . 1 1 61 61 MET CA C 61 54.802 54.802 55.309 -0.507 25502 12243 1 17 . 1 1 61 61 MET CB C 61 34.892 34.892 33.843 1.049 25502 12244 1 17 . 1 1 61 61 MET H H 61 8.088 8.088 7.798 0.290 25502 12245 1 17 . 1 1 62 62 CYS N N 62 114.627 114.627 119.168 -4.541 25502 12246 1 17 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.915 -0.042 25502 12247 1 17 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.610 -0.275 25502 12248 1 17 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.222 29.838 25502 12249 1 17 . 1 1 62 62 CYS H H 62 8.474 8.474 8.355 0.119 25502 12250 1 17 . 1 1 63 63 GLN N N 63 126.463 126.463 118.650 7.813 25502 12251 1 17 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.575 0.801 25502 12252 1 17 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.882 -1.358 25502 12253 1 17 . 1 1 63 63 GLN CB C 63 30.400 30.400 31.759 -1.359 25502 12254 1 17 . 1 1 63 63 GLN H H 63 9.651 9.651 8.254 1.397 25502 12255 1 17 . 1 1 64 64 GLY N N 64 110.531 110.531 108.316 2.215 25502 12256 1 17 . 1 1 64 64 GLY CA C 64 44.400 44.400 43.832 0.568 25502 12257 1 17 . 1 1 64 64 GLY H H 64 7.352 7.352 8.121 -0.769 25502 12258 1 17 . 1 1 65 65 GLY N N 65 105.572 105.572 108.183 -2.611 25502 12259 1 17 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.244 2.181 25502 12260 1 17 . 1 1 65 65 GLY H H 65 9.292 9.292 7.494 1.798 25502 12261 1 17 . 1 1 66 66 ASP N N 66 123.656 123.656 119.023 4.633 25502 12262 1 17 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.412 -0.122 25502 12263 1 17 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.300 -1.794 25502 12264 1 17 . 1 1 66 66 ASP CB C 66 38.702 38.702 41.455 -2.753 25502 12265 1 17 . 1 1 66 66 ASP H H 66 9.910 9.910 8.211 1.699 25502 12266 1 17 . 1 1 67 67 PHE N N 67 115.914 115.914 112.716 3.198 25502 12267 1 17 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.757 -0.160 25502 12268 1 17 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.683 -0.899 25502 12269 1 17 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.056 0.301 25502 12270 1 17 . 1 1 67 67 PHE H H 67 6.624 6.624 7.528 -0.904 25502 12271 1 17 . 1 1 68 68 THR N N 68 108.853 108.853 113.520 -4.667 25502 12272 1 17 . 1 1 68 68 THR HA H 68 4.638 4.638 4.425 0.213 25502 12273 1 17 . 1 1 68 68 THR CA C 68 61.621 61.621 61.240 0.381 25502 12274 1 17 . 1 1 68 68 THR CB C 68 68.789 68.789 67.947 0.842 25502 12275 1 17 . 1 1 68 68 THR H H 68 7.320 7.320 8.124 -0.804 25502 12276 1 17 . 1 1 69 69 ARG N N 69 121.780 121.780 122.824 -1.044 25502 12277 1 17 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.337 0.025 25502 12278 1 17 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.195 -1.167 25502 12279 1 17 . 1 1 69 69 ARG CB C 69 61.533 61.533 31.133 30.400 25502 12280 1 17 . 1 1 69 69 ARG H H 69 8.655 8.655 7.961 0.694 25502 12281 1 17 . 1 1 70 70 HIS N N 70 112.009 112.009 118.666 -6.657 25502 12282 1 17 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.743 -0.345 25502 12283 1 17 . 1 1 70 70 HIS CA C 70 57.135 57.135 55.641 1.494 25502 12284 1 17 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.510 28.924 25502 12285 1 17 . 1 1 70 70 HIS H H 70 6.838 6.838 8.582 -1.744 25502 12286 1 17 . 1 1 71 71 ASN N N 71 112.340 112.340 118.345 -6.005 25502 12287 1 17 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.746 -0.151 25502 12288 1 17 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.784 -1.624 25502 12289 1 17 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.596 -0.889 25502 12290 1 17 . 1 1 71 71 ASN H H 71 7.519 7.519 8.163 -0.644 25502 12291 1 17 . 1 1 72 72 GLY N N 72 110.239 110.239 107.402 2.837 25502 12292 1 17 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.908 -1.335 25502 12293 1 17 . 1 1 72 72 GLY H H 72 9.619 9.619 8.271 1.348 25502 12294 1 17 . 1 1 73 73 THR N N 73 111.802 111.802 113.741 -1.939 25502 12295 1 17 . 1 1 73 73 THR HA H 73 4.487 4.487 4.485 0.002 25502 12296 1 17 . 1 1 73 73 THR CA C 73 62.070 62.070 61.482 0.588 25502 12297 1 17 . 1 1 73 73 THR CB C 73 40.762 40.762 70.292 -29.530 25502 12298 1 17 . 1 1 73 73 THR H H 73 7.930 7.930 7.852 0.078 25502 12299 1 17 . 1 1 74 74 GLY N N 74 113.668 113.668 111.703 1.965 25502 12300 1 17 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.941 -0.033 25502 12301 1 17 . 1 1 74 74 GLY H H 74 8.669 8.669 8.111 0.558 25502 12302 1 17 . 1 1 75 75 GLY N N 75 108.813 108.813 110.431 -1.618 25502 12303 1 17 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.021 -0.984 25502 12304 1 17 . 1 1 75 75 GLY H H 75 8.066 8.066 8.213 -0.147 25502 12305 1 17 . 1 1 76 76 LYS N N 76 115.526 115.526 123.874 -8.348 25502 12306 1 17 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.321 0.264 25502 12307 1 17 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.798 0.909 25502 12308 1 17 . 1 1 76 76 LYS CB C 76 34.515 34.515 34.398 0.117 25502 12309 1 17 . 1 1 76 76 LYS H H 76 6.981 6.981 7.283 -0.302 25502 12310 1 17 . 1 1 77 77 SER N N 77 114.105 114.105 115.876 -1.771 25502 12311 1 17 . 1 1 77 77 SER HA H 77 5.185 5.185 4.462 0.723 25502 12312 1 17 . 1 1 77 77 SER CA C 77 56.816 56.816 59.201 -2.385 25502 12313 1 17 . 1 1 77 77 SER CB C 77 38.963 38.963 64.186 -25.223 25502 12314 1 17 . 1 1 78 78 ILE N N 78 110.963 110.963 114.182 -3.219 25502 12315 1 17 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.354 -0.184 25502 12316 1 17 . 1 1 78 78 ILE CA C 78 63.517 63.517 61.121 2.396 25502 12317 1 17 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.495 -0.187 25502 12318 1 17 . 1 1 78 78 ILE H H 78 8.557 8.557 8.159 0.398 25502 12319 1 17 . 1 1 79 79 TYR N N 79 120.472 120.472 120.279 0.193 25502 12320 1 17 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.689 -0.022 25502 12321 1 17 . 1 1 79 79 TYR CA C 79 56.147 56.147 57.170 -1.023 25502 12322 1 17 . 1 1 79 79 TYR CB C 79 38.725 38.725 38.778 -0.053 25502 12323 1 17 . 1 1 79 79 TYR H H 79 8.007 8.007 7.645 0.362 25502 12324 1 17 . 1 1 80 80 GLY N N 80 106.402 106.402 108.658 -2.256 25502 12325 1 17 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.142 -1.394 25502 12326 1 17 . 1 1 80 80 GLY H H 80 7.115 7.115 8.135 -1.020 25502 12327 1 17 . 1 1 81 81 GLU N N 81 122.838 122.838 123.424 -0.586 25502 12328 1 17 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.246 -0.300 25502 12329 1 17 . 1 1 81 81 GLU CA C 81 60.138 60.138 57.747 2.391 25502 12330 1 17 . 1 1 81 81 GLU CB C 81 30.108 30.108 30.239 -0.131 25502 12331 1 17 . 1 1 81 81 GLU H H 81 8.878 8.878 8.645 0.233 25502 12332 1 17 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.900 1.625 25502 12333 1 17 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.388 -1.613 25502 12334 1 17 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.716 2.595 25502 12335 1 17 . 1 1 82 82 LYS H H 82 7.799 7.799 7.515 0.284 25502 12336 1 17 . 1 1 83 83 PHE N N 83 116.432 116.432 115.967 0.465 25502 12337 1 17 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.950 -0.005 25502 12338 1 17 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.549 0.188 25502 12339 1 17 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.419 0.875 25502 12340 1 17 . 1 1 83 83 PHE H H 83 9.147 9.147 7.371 1.776 25502 12341 1 17 . 1 1 84 84 GLU N N 84 119.352 119.352 118.713 0.639 25502 12342 1 17 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.546 -0.744 25502 12343 1 17 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.055 1.142 25502 12344 1 17 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.847 -1.742 25502 12345 1 17 . 1 1 84 84 GLU H H 84 9.252 9.252 8.369 0.883 25502 12346 1 17 . 1 1 85 85 ASP N N 85 118.583 118.583 121.095 -2.512 25502 12347 1 17 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.490 -0.264 25502 12348 1 17 . 1 1 85 85 ASP CA C 85 53.974 53.974 54.843 -0.869 25502 12349 1 17 . 1 1 85 85 ASP CB C 85 40.785 40.785 42.041 -1.256 25502 12350 1 17 . 1 1 85 85 ASP H H 85 8.593 8.593 8.769 -0.176 25502 12351 1 17 . 1 1 86 86 GLU N N 86 131.488 131.488 123.924 7.564 25502 12352 1 17 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.198 -0.403 25502 12353 1 17 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.389 2.884 25502 12354 1 17 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.114 0.525 25502 12355 1 17 . 1 1 86 86 GLU H H 86 9.461 9.461 8.855 0.606 25502 12356 1 17 . 1 1 87 87 ASN N N 87 106.549 106.549 112.344 -5.795 25502 12357 1 17 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.900 0.230 25502 12358 1 17 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.089 0.500 25502 12359 1 17 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.083 0.266 25502 12360 1 17 . 1 1 87 87 ASN H H 87 7.044 7.044 7.557 -0.513 25502 12361 1 17 . 1 1 88 88 PHE N N 88 112.731 112.731 114.163 -1.432 25502 12362 1 17 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.997 0.930 25502 12363 1 17 . 1 1 88 88 PHE CA C 88 55.688 55.688 55.731 -0.043 25502 12364 1 17 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.698 0.122 25502 12365 1 17 . 1 1 88 88 PHE H H 88 8.319 8.319 8.019 0.300 25502 12366 1 17 . 1 1 89 89 ILE N N 89 119.556 119.556 120.246 -0.690 25502 12367 1 17 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.830 -0.178 25502 12368 1 17 . 1 1 89 89 ILE CA C 89 64.887 64.887 64.326 0.561 25502 12369 1 17 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.663 1.276 25502 12370 1 17 . 1 1 89 89 ILE H H 89 8.302 8.302 7.658 0.644 25502 12371 1 17 . 1 1 90 90 LEU N N 90 116.951 116.951 120.142 -3.191 25502 12372 1 17 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.348 0.108 25502 12373 1 17 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.319 0.866 25502 12374 1 17 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.742 1.169 25502 12375 1 17 . 1 1 90 90 LEU H H 90 7.746 7.746 7.844 -0.098 25502 12376 1 17 . 1 1 91 91 LYS N N 91 118.722 118.722 121.302 -2.580 25502 12377 1 17 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.130 0.498 25502 12378 1 17 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.783 -1.468 25502 12379 1 17 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.624 0.926 25502 12380 1 17 . 1 1 91 91 LYS H H 91 8.057 8.057 7.970 0.087 25502 12381 1 17 . 1 1 92 92 HIS N N 92 122.221 122.221 120.452 1.769 25502 12382 1 17 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.339 0.003 25502 12383 1 17 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.061 -0.305 25502 12384 1 17 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.912 -2.017 25502 12385 1 17 . 1 1 92 92 HIS H H 92 10.706 10.706 8.395 2.311 25502 12386 1 17 . 1 1 93 93 THR N N 93 110.178 110.178 113.651 -3.473 25502 12387 1 17 . 1 1 93 93 THR HA H 93 4.004 4.004 4.435 -0.431 25502 12388 1 17 . 1 1 93 93 THR CA C 93 63.018 63.018 60.734 2.284 25502 12389 1 17 . 1 1 93 93 THR CB C 93 69.341 69.341 69.818 -0.477 25502 12390 1 17 . 1 1 93 93 THR H H 93 7.261 7.261 7.680 -0.419 25502 12391 1 17 . 1 1 94 94 GLY N N 94 106.990 106.990 108.783 -1.793 25502 12392 1 17 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.116 1.338 25502 12393 1 17 . 1 1 94 94 GLY H H 94 7.489 7.489 7.307 0.182 25502 12394 1 17 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.707 -0.903 25502 12395 1 17 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.583 -0.044 25502 12396 1 17 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.585 29.367 25502 12397 1 17 . 1 1 96 96 GLY N N 96 109.908 109.908 108.140 1.768 25502 12398 1 17 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.683 -0.854 25502 12399 1 17 . 1 1 96 96 GLY H H 96 9.271 9.271 8.493 0.778 25502 12400 1 17 . 1 1 97 97 ILE N N 97 121.176 121.176 120.454 0.722 25502 12401 1 17 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.498 -0.383 25502 12402 1 17 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.115 0.196 25502 12403 1 17 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.833 -1.075 25502 12404 1 17 . 1 1 97 97 ILE H H 97 6.765 6.765 7.381 -0.616 25502 12405 1 17 . 1 1 98 98 LEU N N 98 128.477 128.477 126.492 1.985 25502 12406 1 17 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.993 0.005 25502 12407 1 17 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.455 -0.222 25502 12408 1 17 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.828 -1.202 25502 12409 1 17 . 1 1 98 98 LEU H H 98 7.872 7.872 8.090 -0.218 25502 12410 1 17 . 1 1 99 99 SER N N 99 118.325 118.325 112.826 5.499 25502 12411 1 17 . 1 1 99 99 SER HA H 99 5.316 5.316 4.937 0.379 25502 12412 1 17 . 1 1 99 99 SER CA C 99 54.909 54.909 57.333 -2.424 25502 12413 1 17 . 1 1 99 99 SER CB C 99 65.380 65.380 64.841 0.539 25502 12414 1 17 . 1 1 99 99 SER H H 99 8.285 8.285 8.183 0.102 25502 12415 1 17 . 1 1 100 100 MET N N 100 122.826 122.826 121.493 1.333 25502 12416 1 17 . 1 1 100 100 MET HA H 100 5.259 5.259 4.667 0.592 25502 12417 1 17 . 1 1 100 100 MET CA C 100 53.800 53.800 53.571 0.229 25502 12418 1 17 . 1 1 100 100 MET CB C 100 30.960 30.960 35.801 -4.841 25502 12419 1 17 . 1 1 100 100 MET H H 100 8.544 8.544 8.544 0.000 25502 12420 1 17 . 1 1 101 101 ALA N N 101 125.971 125.971 124.703 1.268 25502 12421 1 17 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.522 -0.246 25502 12422 1 17 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.154 0.344 25502 12423 1 17 . 1 1 101 101 ALA CB C 101 19.403 19.403 22.110 -2.707 25502 12424 1 17 . 1 1 101 101 ALA H H 101 7.999 7.999 8.351 -0.352 25502 12425 1 17 . 1 1 102 102 ASN N N 102 113.207 113.207 117.521 -4.314 25502 12426 1 17 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.754 -0.178 25502 12427 1 17 . 1 1 102 102 ASN CA C 102 53.841 53.841 54.217 -0.376 25502 12428 1 17 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.507 0.872 25502 12429 1 17 . 1 1 102 102 ASN H H 102 8.097 8.097 8.953 -0.856 25502 12430 1 17 . 1 1 103 103 ALA N N 103 123.056 123.056 122.226 0.830 25502 12431 1 17 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.615 0.170 25502 12432 1 17 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.474 -2.320 25502 12433 1 17 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.090 -0.061 25502 12434 1 17 . 1 1 103 103 ALA H H 103 8.787 8.787 8.226 0.561 25502 12435 1 17 . 1 1 104 104 GLY N N 104 108.942 108.942 109.137 -0.195 25502 12436 1 17 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.990 -1.581 25502 12437 1 17 . 1 1 104 104 GLY H H 104 8.111 8.111 8.550 -0.439 25502 12438 1 17 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.479 -0.152 25502 12439 1 17 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.271 0.612 25502 12440 1 17 . 1 1 105 105 PRO CB C 105 31.902 31.902 31.625 0.277 25502 12441 1 17 . 1 1 106 106 ASN N N 106 118.866 118.866 117.558 1.308 25502 12442 1 17 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.503 -0.506 25502 12443 1 17 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.514 -0.411 25502 12444 1 17 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.683 -0.691 25502 12445 1 17 . 1 1 106 106 ASN H H 106 8.866 8.866 8.337 0.529 25502 12446 1 17 . 1 1 107 107 THR N N 107 109.971 109.971 107.382 2.589 25502 12447 1 17 . 1 1 107 107 THR HA H 107 4.434 4.434 3.781 0.653 25502 12448 1 17 . 1 1 107 107 THR CA C 107 60.040 60.040 63.364 -3.324 25502 12449 1 17 . 1 1 107 107 THR CB C 107 39.196 39.196 67.917 -28.721 25502 12450 1 17 . 1 1 107 107 THR H H 107 10.165 10.165 8.684 1.481 25502 12451 1 17 . 1 1 108 108 ASN N N 108 120.251 120.251 119.297 0.954 25502 12452 1 17 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.678 -0.463 25502 12453 1 17 . 1 1 108 108 ASN CA C 108 55.448 55.448 54.216 1.232 25502 12454 1 17 . 1 1 108 108 ASN CB C 108 39.600 39.600 39.554 0.046 25502 12455 1 17 . 1 1 108 108 ASN H H 108 7.349 7.349 7.541 -0.192 25502 12456 1 17 . 1 1 109 109 GLY N N 109 110.632 110.632 109.771 0.861 25502 12457 1 17 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.251 0.788 25502 12458 1 17 . 1 1 109 109 GLY H H 109 9.188 9.188 8.101 1.087 25502 12459 1 17 . 1 1 110 110 SER N N 110 116.806 116.806 116.140 0.666 25502 12460 1 17 . 1 1 110 110 SER HA H 110 4.698 4.698 4.599 0.099 25502 12461 1 17 . 1 1 110 110 SER CA C 110 57.454 57.454 58.078 -0.624 25502 12462 1 17 . 1 1 110 110 SER CB C 110 65.964 65.964 64.328 1.637 25502 12463 1 17 . 1 1 110 110 SER H H 110 8.738 8.738 8.430 0.308 25502 12464 1 17 . 1 1 111 111 GLN N N 111 124.263 124.263 120.284 3.979 25502 12465 1 17 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.101 1.067 25502 12466 1 17 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.761 2.732 25502 12467 1 17 . 1 1 111 111 GLN CB C 111 31.632 31.632 28.544 3.088 25502 12468 1 17 . 1 1 111 111 GLN H H 111 8.388 8.388 7.843 0.545 25502 12469 1 17 . 1 1 112 112 PHE N N 112 117.560 117.560 117.605 -0.045 25502 12470 1 17 . 1 1 112 112 PHE HA H 112 5.714 5.714 3.904 1.810 25502 12471 1 17 . 1 1 112 112 PHE CA C 112 55.447 55.447 56.861 -1.413 25502 12472 1 17 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.089 3.911 25502 12473 1 17 . 1 1 112 112 PHE H H 112 8.058 8.058 7.114 0.944 25502 12474 1 17 . 1 1 113 113 PHE N N 113 116.199 116.199 113.121 3.078 25502 12475 1 17 . 1 1 113 113 PHE HA H 113 5.670 5.670 5.080 0.590 25502 12476 1 17 . 1 1 113 113 PHE CA C 113 54.437 54.437 55.671 -1.234 25502 12477 1 17 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.359 1.258 25502 12478 1 17 . 1 1 113 113 PHE H H 113 9.795 9.795 7.527 2.268 25502 12479 1 17 . 1 1 114 114 ILE N N 114 118.391 118.391 120.563 -2.172 25502 12480 1 17 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.552 0.242 25502 12481 1 17 . 1 1 114 114 ILE CA C 114 60.060 60.060 60.688 -0.628 25502 12482 1 17 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.718 1.444 25502 12483 1 17 . 1 1 114 114 ILE H H 114 9.098 9.098 8.819 0.279 25502 12484 1 17 . 1 1 115 115 CYS N N 115 125.271 125.271 128.200 -2.929 25502 12485 1 17 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.334 0.418 25502 12486 1 17 . 1 1 115 115 CYS CA C 115 60.672 60.672 60.212 0.460 25502 12487 1 17 . 1 1 115 115 CYS CB C 115 58.569 58.569 26.761 31.808 25502 12488 1 17 . 1 1 115 115 CYS H H 115 9.597 9.597 8.504 1.093 25502 12489 1 17 . 1 1 116 116 THR N N 116 115.478 115.478 117.669 -2.191 25502 12490 1 17 . 1 1 116 116 THR HA H 116 4.324 4.324 4.147 0.177 25502 12491 1 17 . 1 1 116 116 THR CA C 116 60.720 60.720 63.598 -2.878 25502 12492 1 17 . 1 1 116 116 THR CB C 116 66.502 66.502 68.728 -2.226 25502 12493 1 17 . 1 1 116 116 THR H H 116 8.947 8.947 8.351 0.596 25502 12494 1 17 . 1 1 117 117 ALA N N 117 121.996 121.996 122.683 -0.687 25502 12495 1 17 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.514 -0.156 25502 12496 1 17 . 1 1 117 117 ALA CA C 117 50.511 50.511 50.674 -0.163 25502 12497 1 17 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.381 1.227 25502 12498 1 17 . 1 1 117 117 ALA H H 117 7.602 7.602 7.373 0.229 25502 12499 1 17 . 1 1 118 118 LYS N N 118 119.550 119.550 120.805 -1.255 25502 12500 1 17 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.967 -0.188 25502 12501 1 17 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.354 0.310 25502 12502 1 17 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.279 1.220 25502 12503 1 17 . 1 1 118 118 LYS H H 118 8.690 8.690 8.528 0.162 25502 12504 1 17 . 1 1 119 119 THR N N 119 118.759 118.759 118.175 0.584 25502 12505 1 17 . 1 1 119 119 THR HA H 119 3.623 3.623 1.833 1.790 25502 12506 1 17 . 1 1 119 119 THR CA C 119 57.088 57.088 58.520 -1.432 25502 12507 1 17 . 1 1 119 119 THR H H 119 7.328 7.328 7.811 -0.483 25502 12508 1 17 . 1 1 120 120 GLU N N 120 124.407 124.407 121.985 2.422 25502 12509 1 17 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.996 0.124 25502 12510 1 17 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.383 0.689 25502 12511 1 17 . 1 1 120 120 GLU H H 120 9.092 9.092 7.226 1.866 25502 12512 1 17 . 1 1 121 121 TRP N N 121 117.495 117.495 119.093 -1.598 25502 12513 1 17 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.458 0.195 25502 12514 1 17 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.052 1.409 25502 12515 1 17 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.134 -1.384 25502 12516 1 17 . 1 1 121 121 TRP H H 121 7.251 7.251 7.502 -0.251 25502 12517 1 17 . 1 1 122 122 LEU N N 122 119.528 119.528 119.397 0.131 25502 12518 1 17 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.978 0.273 25502 12519 1 17 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.831 -2.331 25502 12520 1 17 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.512 -2.613 25502 12521 1 17 . 1 1 122 122 LEU H H 122 7.019 7.019 6.812 0.207 25502 12522 1 17 . 1 1 123 123 ASP N N 123 121.832 121.832 116.613 5.219 25502 12523 1 17 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.335 0.830 25502 12524 1 17 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.298 0.557 25502 12525 1 17 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.058 -0.686 25502 12526 1 17 . 1 1 123 123 ASP H H 123 7.607 7.607 7.866 -0.259 25502 12527 1 17 . 1 1 124 124 GLY N N 124 110.836 110.836 105.323 5.513 25502 12528 1 17 . 1 1 124 124 GLY CA C 124 45.023 45.023 46.207 -1.184 25502 12529 1 17 . 1 1 124 124 GLY H H 124 9.522 9.522 8.680 0.842 25502 12530 1 17 . 1 1 125 125 LYS N N 125 115.016 115.016 118.340 -3.324 25502 12531 1 17 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.087 0.022 25502 12532 1 17 . 1 1 125 125 LYS CA C 125 56.248 56.248 57.031 -0.783 25502 12533 1 17 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.693 2.696 25502 12534 1 17 . 1 1 125 125 LYS H H 125 7.727 7.727 8.295 -0.568 25502 12535 1 17 . 1 1 126 126 HIS N N 126 119.223 119.223 114.627 4.596 25502 12536 1 17 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.952 -0.153 25502 12537 1 17 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.568 -0.009 25502 12538 1 17 . 1 1 126 126 HIS H H 126 7.571 7.571 7.695 -0.124 25502 12539 1 17 . 1 1 127 127 VAL N N 127 124.730 124.730 121.176 3.554 25502 12540 1 17 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.391 -0.133 25502 12541 1 17 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.517 2.130 25502 12542 1 17 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.064 0.352 25502 12543 1 17 . 1 1 127 127 VAL H H 127 8.474 8.474 8.775 -0.301 25502 12544 1 17 . 1 1 128 128 VAL N N 128 132.814 132.814 128.213 4.601 25502 12545 1 17 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.416 -0.266 25502 12546 1 17 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.439 -1.070 25502 12547 1 17 . 1 1 128 128 VAL H H 128 9.470 9.470 8.654 0.816 25502 12548 1 17 . 1 1 129 129 PHE N N 129 117.478 117.478 121.363 -3.885 25502 12549 1 17 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.005 0.248 25502 12550 1 17 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.188 -0.281 25502 12551 1 17 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.556 2.900 25502 12552 1 17 . 1 1 129 129 PHE H H 129 8.086 8.086 7.740 0.346 25502 12553 1 17 . 1 1 130 130 GLY N N 130 110.497 110.497 107.260 3.237 25502 12554 1 17 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.495 0.899 25502 12555 1 17 . 1 1 130 130 GLY H H 130 7.297 7.297 7.694 -0.397 25502 12556 1 17 . 1 1 131 131 LYS N N 131 115.059 115.059 116.471 -1.412 25502 12557 1 17 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.717 0.490 25502 12558 1 17 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.704 -0.909 25502 12559 1 17 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.854 -0.002 25502 12560 1 17 . 1 1 131 131 LYS H H 131 8.353 8.353 8.077 0.276 25502 12561 1 17 . 1 1 132 132 VAL N N 132 123.802 123.802 124.234 -0.432 25502 12562 1 17 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.934 -0.046 25502 12563 1 17 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.079 -0.132 25502 12564 1 17 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.650 1.897 25502 12565 1 17 . 1 1 132 132 VAL H H 132 9.015 9.015 8.496 0.519 25502 12566 1 17 . 1 1 133 133 LYS N N 133 131.324 131.324 128.421 2.903 25502 12567 1 17 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.196 0.228 25502 12568 1 17 . 1 1 133 133 LYS CA C 133 56.659 56.659 56.739 -0.080 25502 12569 1 17 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.737 0.130 25502 12570 1 17 . 1 1 133 133 LYS H H 133 9.469 9.469 8.762 0.707 25502 12571 1 17 . 1 1 134 134 GLU N N 134 118.178 118.178 117.192 0.986 25502 12572 1 17 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.382 0.177 25502 12573 1 17 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.917 -0.769 25502 12574 1 17 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.461 0.275 25502 12575 1 17 . 1 1 134 134 GLU H H 134 7.543 7.543 7.489 0.054 25502 12576 1 17 . 1 1 135 135 GLY N N 135 107.767 107.767 110.728 -2.961 25502 12577 1 17 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.009 0.858 25502 12578 1 17 . 1 1 135 135 GLY H H 135 8.693 8.693 8.736 -0.043 25502 12579 1 17 . 1 1 136 136 MET N N 136 122.307 122.307 119.061 3.246 25502 12580 1 17 . 1 1 136 136 MET HA H 136 4.437 4.437 4.066 0.371 25502 12581 1 17 . 1 1 136 136 MET CA C 136 56.659 56.659 56.603 0.056 25502 12582 1 17 . 1 1 136 136 MET CB C 136 30.025 30.025 31.846 -1.821 25502 12583 1 17 . 1 1 136 136 MET H H 136 8.790 8.790 8.562 0.228 25502 12584 1 17 . 1 1 137 137 ASN N N 137 114.221 114.221 117.331 -3.110 25502 12585 1 17 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.457 -0.007 25502 12586 1 17 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.795 0.130 25502 12587 1 17 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.513 -1.696 25502 12588 1 17 . 1 1 137 137 ASN H H 137 8.849 8.849 8.580 0.269 25502 12589 1 17 . 1 1 138 138 ILE N N 138 123.949 123.949 119.507 4.442 25502 12590 1 17 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.944 -0.194 25502 12591 1 17 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.447 -2.116 25502 12592 1 17 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.877 -2.537 25502 12593 1 17 . 1 1 138 138 ILE H H 138 7.642 7.642 8.192 -0.550 25502 12594 1 17 . 1 1 139 139 VAL N N 139 121.654 121.654 120.007 1.647 25502 12595 1 17 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.717 0.127 25502 12596 1 17 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.565 -0.534 25502 12597 1 17 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.454 -0.478 25502 12598 1 17 . 1 1 139 139 VAL H H 139 7.244 7.244 7.272 -0.028 25502 12599 1 17 . 1 1 140 140 GLU N N 140 117.078 117.078 118.900 -1.822 25502 12600 1 17 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.051 -0.008 25502 12601 1 17 . 1 1 140 140 GLU CA C 140 59.162 59.162 59.125 0.037 25502 12602 1 17 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.638 -0.219 25502 12603 1 17 . 1 1 140 140 GLU H H 140 8.291 8.291 7.678 0.613 25502 12604 1 17 . 1 1 141 141 ALA N N 141 120.813 120.813 121.767 -0.954 25502 12605 1 17 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.057 0.004 25502 12606 1 17 . 1 1 141 141 ALA CA C 141 54.729 54.729 55.014 -0.285 25502 12607 1 17 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.628 -0.612 25502 12608 1 17 . 1 1 141 141 ALA H H 141 7.495 7.495 7.277 0.218 25502 12609 1 17 . 1 1 142 142 MET N N 142 117.301 117.301 117.258 0.043 25502 12610 1 17 . 1 1 142 142 MET HA H 142 3.938 3.938 4.257 -0.319 25502 12611 1 17 . 1 1 142 142 MET CA C 142 59.610 59.610 59.505 0.105 25502 12612 1 17 . 1 1 142 142 MET CB C 142 33.678 33.678 32.369 1.309 25502 12613 1 17 . 1 1 142 142 MET H H 142 8.259 8.259 7.882 0.377 25502 12614 1 17 . 1 1 143 143 GLU N N 143 116.052 116.052 118.237 -2.185 25502 12615 1 17 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.082 -0.366 25502 12616 1 17 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.368 -0.187 25502 12617 1 17 . 1 1 143 143 GLU CB C 143 30.271 30.271 29.373 0.898 25502 12618 1 17 . 1 1 143 143 GLU H H 143 7.832 7.832 7.998 -0.166 25502 12619 1 17 . 1 1 144 144 ARG N N 144 114.357 114.357 119.262 -4.905 25502 12620 1 17 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.088 -0.166 25502 12621 1 17 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.699 -0.157 25502 12622 1 17 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.636 -0.333 25502 12623 1 17 . 1 1 144 144 ARG H H 144 7.034 7.034 7.584 -0.550 25502 12624 1 17 . 1 1 145 145 PHE N N 145 115.146 115.146 117.953 -2.807 25502 12625 1 17 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.799 -0.006 25502 12626 1 17 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.157 1.457 25502 12627 1 17 . 1 1 145 145 PHE CB C 145 38.913 38.913 38.640 0.273 25502 12628 1 17 . 1 1 145 145 PHE H H 145 7.624 7.624 7.659 -0.035 25502 12629 1 17 . 1 1 146 146 GLY N N 146 104.498 104.498 107.048 -2.550 25502 12630 1 17 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.424 0.725 25502 12631 1 17 . 1 1 146 146 GLY H H 146 7.514 7.514 7.399 0.115 25502 12632 1 17 . 1 1 147 147 SER N N 147 109.815 109.815 114.653 -4.838 25502 12633 1 17 . 1 1 147 147 SER HA H 147 4.755 4.755 4.695 0.060 25502 12634 1 17 . 1 1 147 147 SER CA C 147 58.033 58.033 55.570 2.463 25502 12635 1 17 . 1 1 147 147 SER H H 147 8.190 8.190 7.991 0.199 25502 12636 1 17 . 1 1 148 148 ARG N N 148 119.789 119.789 127.289 -7.500 25502 12637 1 17 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.271 -0.104 25502 12638 1 17 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.549 2.942 25502 12639 1 17 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.817 1.845 25502 12640 1 17 . 1 1 148 148 ARG H H 148 8.795 8.795 8.964 -0.169 25502 12641 1 17 . 1 1 149 149 ASN N N 149 111.378 111.378 117.150 -5.772 25502 12642 1 17 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.680 0.154 25502 12643 1 17 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.462 -1.342 25502 12644 1 17 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.795 -1.554 25502 12645 1 17 . 1 1 149 149 ASN H H 149 7.841 7.841 8.516 -0.675 25502 12646 1 17 . 1 1 150 150 GLY N N 150 109.893 109.893 107.541 2.352 25502 12647 1 17 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.409 -0.512 25502 12648 1 17 . 1 1 150 150 GLY H H 150 8.040 8.040 7.805 0.235 25502 12649 1 17 . 1 1 151 151 LYS N N 151 119.608 119.608 121.882 -2.274 25502 12650 1 17 . 1 1 151 151 LYS HA H 151 4.405 4.405 3.657 0.748 25502 12651 1 17 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.246 -0.201 25502 12652 1 17 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.097 -0.828 25502 12653 1 17 . 1 1 151 151 LYS H H 151 7.525 7.525 8.029 -0.504 25502 12654 1 17 . 1 1 152 152 THR N N 152 116.317 116.317 110.748 5.569 25502 12655 1 17 . 1 1 152 152 THR HA H 152 5.532 5.532 4.527 1.005 25502 12656 1 17 . 1 1 152 152 THR CA C 152 59.953 59.953 61.185 -1.232 25502 12657 1 17 . 1 1 152 152 THR CB C 152 71.108 71.108 69.936 1.172 25502 12658 1 17 . 1 1 152 152 THR H H 152 8.823 8.823 8.164 0.659 25502 12659 1 17 . 1 1 153 153 SER N N 153 116.804 116.804 119.193 -2.389 25502 12660 1 17 . 1 1 153 153 SER HA H 153 4.456 4.456 4.377 0.079 25502 12661 1 17 . 1 1 153 153 SER CA C 153 58.712 58.712 60.566 -1.854 25502 12662 1 17 . 1 1 153 153 SER CB C 153 63.477 63.477 63.855 -0.378 25502 12663 1 17 . 1 1 153 153 SER H H 153 9.412 9.412 8.748 0.664 25502 12664 1 17 . 1 1 154 154 LYS N N 154 119.068 119.068 120.559 -1.491 25502 12665 1 17 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.378 0.154 25502 12666 1 17 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.484 -1.084 25502 12667 1 17 . 1 1 154 154 LYS CB C 154 38.406 38.406 34.191 4.215 25502 12668 1 17 . 1 1 154 154 LYS H H 154 7.527 7.527 7.499 0.028 25502 12669 1 17 . 1 1 155 155 LYS N N 155 121.541 121.541 121.958 -0.417 25502 12670 1 17 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.528 -0.215 25502 12671 1 17 . 1 1 155 155 LYS CA C 155 56.147 56.147 54.971 1.176 25502 12672 1 17 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.748 -0.760 25502 12673 1 17 . 1 1 155 155 LYS H H 155 8.791 8.791 8.390 0.401 25502 12674 1 17 . 1 1 156 156 ILE N N 156 133.980 133.980 129.889 4.091 25502 12675 1 17 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.032 0.061 25502 12676 1 17 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.699 -1.435 25502 12677 1 17 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.456 -1.616 25502 12678 1 17 . 1 1 156 156 ILE H H 156 9.606 9.606 9.002 0.604 25502 12679 1 17 . 1 1 157 157 THR N N 157 116.977 116.977 120.141 -3.164 25502 12680 1 17 . 1 1 157 157 THR HA H 157 5.274 5.274 5.050 0.224 25502 12681 1 17 . 1 1 157 157 THR CA C 157 59.475 59.475 59.845 -0.370 25502 12682 1 17 . 1 1 157 157 THR CB C 157 72.475 72.475 72.276 0.199 25502 12683 1 17 . 1 1 157 157 THR H H 157 9.233 9.233 9.083 0.150 25502 12684 1 17 . 1 1 158 158 ILE N N 158 121.529 121.529 122.179 -0.650 25502 12685 1 17 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.901 -0.659 25502 12686 1 17 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.866 0.002 25502 12687 1 17 . 1 1 158 158 ILE CB C 158 36.790 36.790 37.310 -0.520 25502 12688 1 17 . 1 1 158 158 ILE H H 158 8.580 8.580 8.230 0.349 25502 12689 1 17 . 1 1 159 159 ALA N N 159 132.313 132.313 131.973 0.340 25502 12690 1 17 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.161 -0.037 25502 12691 1 17 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.974 0.099 25502 12692 1 17 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.466 -0.453 25502 12693 1 17 . 1 1 159 159 ALA H H 159 8.873 8.873 8.320 0.553 25502 12694 1 17 . 1 1 160 160 ASP N N 160 111.257 111.257 115.931 -4.674 25502 12695 1 17 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.634 0.256 25502 12696 1 17 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.723 -1.084 25502 12697 1 17 . 1 1 160 160 ASP CB C 160 43.587 43.587 42.959 0.628 25502 12698 1 17 . 1 1 160 160 ASP H H 160 8.066 8.066 7.854 0.212 25502 12699 1 17 . 1 1 161 161 CYS N N 161 115.837 115.837 117.171 -1.334 25502 12700 1 17 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.437 1.107 25502 12701 1 17 . 1 1 161 161 CYS CA C 161 55.148 55.148 54.983 0.165 25502 12702 1 17 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.269 0.868 25502 12703 1 17 . 1 1 161 161 CYS H H 161 8.591 8.591 8.192 0.399 25502 12704 1 17 . 1 1 162 162 GLY N N 162 103.888 103.888 107.272 -3.384 25502 12705 1 17 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.998 0.351 25502 12706 1 17 . 1 1 162 162 GLY H H 162 6.844 6.844 6.748 0.096 25502 12707 1 17 . 1 1 163 163 GLN N N 163 120.718 120.718 120.346 0.372 25502 12708 1 17 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.549 0.520 25502 12709 1 17 . 1 1 163 163 GLN CA C 163 54.809 54.809 55.968 -1.159 25502 12710 1 17 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.439 1.151 25502 12711 1 17 . 1 1 163 163 GLN H H 163 9.066 9.066 8.376 0.690 25502 12712 1 17 . 1 1 164 164 LEU N N 164 125.816 125.816 127.062 -1.246 25502 12713 1 17 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.428 0.179 25502 12714 1 17 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.196 -1.457 25502 12715 1 17 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.919 1.442 25502 12716 1 17 . 1 1 164 164 LEU H H 164 8.593 8.593 9.115 -0.522 25502 12717 1 18 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.332 -0.156 25502 12718 1 18 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.138 -0.646 25502 12719 1 18 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.573 -0.447 25502 12720 1 18 . 1 1 3 3 ASN N N 3 126.515 126.515 124.679 1.836 25502 12721 1 18 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.169 -0.032 25502 12722 1 18 . 1 1 3 3 ASN CA C 3 51.008 51.008 50.976 0.032 25502 12723 1 18 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.338 -1.539 25502 12724 1 18 . 1 1 3 3 ASN H H 3 8.600 8.600 8.524 0.076 25502 12725 1 18 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.439 0.314 25502 12726 1 18 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.817 -0.148 25502 12727 1 18 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.599 0.539 25502 12728 1 18 . 1 1 5 5 THR N N 5 114.826 114.826 116.055 -1.229 25502 12729 1 18 . 1 1 5 5 THR HA H 5 5.716 5.716 4.888 0.828 25502 12730 1 18 . 1 1 5 5 THR CA C 5 60.698 60.698 61.548 -0.850 25502 12731 1 18 . 1 1 5 5 THR CB C 5 41.142 41.142 72.225 -31.083 25502 12732 1 18 . 1 1 5 5 THR H H 5 8.771 8.771 8.090 0.681 25502 12733 1 18 . 1 1 6 6 VAL N N 6 120.113 120.113 122.672 -2.559 25502 12734 1 18 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.425 -0.086 25502 12735 1 18 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.121 -0.324 25502 12736 1 18 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.102 1.033 25502 12737 1 18 . 1 1 6 6 VAL H H 6 8.741 8.741 8.179 0.562 25502 12738 1 18 . 1 1 7 7 PHE N N 7 118.968 118.968 122.489 -3.521 25502 12739 1 18 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.139 0.756 25502 12740 1 18 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.120 0.568 25502 12741 1 18 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.796 1.247 25502 12742 1 18 . 1 1 7 7 PHE H H 7 8.954 8.954 8.283 0.671 25502 12743 1 18 . 1 1 8 8 PHE N N 8 116.774 116.774 119.902 -3.128 25502 12744 1 18 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.706 0.611 25502 12745 1 18 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.418 -3.995 25502 12746 1 18 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.740 1.130 25502 12747 1 18 . 1 1 8 8 PHE H H 8 9.540 9.540 8.467 1.073 25502 12748 1 18 . 1 1 9 9 ASP N N 9 123.959 123.959 124.992 -1.033 25502 12749 1 18 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.653 0.880 25502 12750 1 18 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.375 -0.610 25502 12751 1 18 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.216 0.097 25502 12752 1 18 . 1 1 9 9 ASP H H 9 9.266 9.266 9.170 0.096 25502 12753 1 18 . 1 1 10 10 ILE N N 10 124.122 124.122 124.911 -0.789 25502 12754 1 18 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.472 0.700 25502 12755 1 18 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.262 -2.103 25502 12756 1 18 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.786 -0.083 25502 12757 1 18 . 1 1 10 10 ILE H H 10 9.030 9.030 7.836 1.194 25502 12758 1 18 . 1 1 11 11 ALA N N 11 132.244 132.244 130.052 2.192 25502 12759 1 18 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.953 0.212 25502 12760 1 18 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.301 0.363 25502 12761 1 18 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.137 29.424 25502 12762 1 18 . 1 1 11 11 ALA H H 11 9.603 9.603 8.990 0.613 25502 12763 1 18 . 1 1 12 12 VAL N N 12 118.199 118.199 120.828 -2.629 25502 12764 1 18 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.619 -0.108 25502 12765 1 18 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.722 -1.296 25502 12766 1 18 . 1 1 12 12 VAL CB C 12 33.181 33.181 33.299 -0.118 25502 12767 1 18 . 1 1 12 12 VAL H H 12 8.943 8.943 8.751 0.192 25502 12768 1 18 . 1 1 13 13 ASP N N 13 130.748 130.748 128.728 2.020 25502 12769 1 18 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.282 0.038 25502 12770 1 18 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.661 0.165 25502 12771 1 18 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.193 -0.358 25502 12772 1 18 . 1 1 13 13 ASP H H 13 9.846 9.846 8.918 0.928 25502 12773 1 18 . 1 1 14 14 GLY N N 14 101.493 101.493 103.729 -2.236 25502 12774 1 18 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.982 0.100 25502 12775 1 18 . 1 1 14 14 GLY H H 14 8.558 8.558 8.566 -0.008 25502 12776 1 18 . 1 1 15 15 GLU N N 15 123.014 123.014 123.891 -0.877 25502 12777 1 18 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.677 0.159 25502 12778 1 18 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.882 -0.129 25502 12779 1 18 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.163 0.073 25502 12780 1 18 . 1 1 15 15 GLU H H 15 8.046 8.046 7.644 0.402 25502 12781 1 18 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.598 -0.422 25502 12782 1 18 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.975 1.571 25502 12783 1 18 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.335 29.776 25502 12784 1 18 . 1 1 17 17 LEU N N 17 125.784 125.784 123.829 1.955 25502 12785 1 18 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.090 0.597 25502 12786 1 18 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.679 -1.331 25502 12787 1 18 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.504 1.653 25502 12788 1 18 . 1 1 17 17 LEU H H 17 9.189 9.189 8.625 0.564 25502 12789 1 18 . 1 1 18 18 GLY N N 18 102.200 102.200 103.691 -1.491 25502 12790 1 18 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.607 0.362 25502 12791 1 18 . 1 1 18 18 GLY H H 18 7.256 7.256 7.463 -0.207 25502 12792 1 18 . 1 1 19 19 ARG N N 19 120.995 120.995 123.308 -2.313 25502 12793 1 18 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.723 0.899 25502 12794 1 18 . 1 1 19 19 ARG CA C 19 55.015 55.015 54.805 0.210 25502 12795 1 18 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.035 0.305 25502 12796 1 18 . 1 1 19 19 ARG H H 19 8.320 8.320 8.325 -0.005 25502 12797 1 18 . 1 1 20 20 VAL N N 20 126.616 126.616 125.192 1.424 25502 12798 1 18 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.911 -0.308 25502 12799 1 18 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.757 -0.816 25502 12800 1 18 . 1 1 20 20 VAL CB C 20 34.883 34.883 32.697 2.186 25502 12801 1 18 . 1 1 20 20 VAL H H 20 9.364 9.364 8.606 0.758 25502 12802 1 18 . 1 1 21 21 SER N N 21 120.061 120.061 120.998 -0.937 25502 12803 1 18 . 1 1 21 21 SER HA H 21 5.515 5.515 5.092 0.423 25502 12804 1 18 . 1 1 21 21 SER CA C 21 55.317 55.317 55.615 -0.298 25502 12805 1 18 . 1 1 21 21 SER CB C 21 36.773 36.773 65.661 -28.888 25502 12806 1 18 . 1 1 21 21 SER H H 21 8.768 8.768 7.822 0.946 25502 12807 1 18 . 1 1 22 22 PHE N N 22 118.878 118.878 117.663 1.215 25502 12808 1 18 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.237 -0.000 25502 12809 1 18 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.833 -1.145 25502 12810 1 18 . 1 1 22 22 PHE CB C 22 42.574 42.574 42.812 -0.238 25502 12811 1 18 . 1 1 22 22 PHE H H 22 9.508 9.508 9.020 0.488 25502 12812 1 18 . 1 1 23 23 GLU N N 23 122.926 122.926 124.056 -1.130 25502 12813 1 18 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.589 0.160 25502 12814 1 18 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.049 -0.100 25502 12815 1 18 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.307 1.322 25502 12816 1 18 . 1 1 23 23 GLU H H 23 8.740 8.740 9.031 -0.291 25502 12817 1 18 . 1 1 24 24 LEU N N 24 122.262 122.262 127.887 -5.625 25502 12818 1 18 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.607 0.090 25502 12819 1 18 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.359 -2.808 25502 12820 1 18 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.749 0.371 25502 12821 1 18 . 1 1 24 24 LEU H H 24 8.185 8.185 8.029 0.156 25502 12822 1 18 . 1 1 25 25 PHE N N 25 124.423 124.423 123.916 0.507 25502 12823 1 18 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.556 0.552 25502 12824 1 18 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.671 -3.381 25502 12825 1 18 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.575 -0.615 25502 12826 1 18 . 1 1 25 25 PHE H H 25 8.815 8.815 9.459 -0.644 25502 12827 1 18 . 1 1 26 26 ALA N N 26 128.683 128.683 125.248 3.435 25502 12828 1 18 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.319 -0.548 25502 12829 1 18 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.369 -0.083 25502 12830 1 18 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.412 0.213 25502 12831 1 18 . 1 1 26 26 ALA H H 26 8.433 8.433 8.198 0.235 25502 12832 1 18 . 1 1 27 27 ASP N N 27 114.069 114.069 118.218 -4.149 25502 12833 1 18 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.559 -0.316 25502 12834 1 18 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.555 -1.227 25502 12835 1 18 . 1 1 27 27 ASP CB C 27 38.855 38.855 41.072 -2.217 25502 12836 1 18 . 1 1 27 27 ASP H H 27 9.052 9.052 8.253 0.799 25502 12837 1 18 . 1 1 28 28 LYS N N 28 117.763 117.763 117.166 0.597 25502 12838 1 18 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.458 0.113 25502 12839 1 18 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.914 -0.682 25502 12840 1 18 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.634 1.288 25502 12841 1 18 . 1 1 28 28 LYS H H 28 7.545 7.545 7.847 -0.302 25502 12842 1 18 . 1 1 29 29 VAL N N 29 114.212 114.212 114.070 0.142 25502 12843 1 18 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.891 -0.440 25502 12844 1 18 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.489 -0.400 25502 12845 1 18 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.284 0.461 25502 12846 1 18 . 1 1 29 29 VAL H H 29 8.368 8.368 8.208 0.160 25502 12847 1 18 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.426 -0.031 25502 12848 1 18 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.894 0.189 25502 12849 1 18 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.844 -0.540 25502 12850 1 18 . 1 1 31 31 LYS N N 31 123.500 123.500 117.876 5.624 25502 12851 1 18 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.036 -0.029 25502 12852 1 18 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.953 1.403 25502 12853 1 18 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.754 0.525 25502 12854 1 18 . 1 1 31 31 LYS H H 31 10.663 10.663 8.307 2.356 25502 12855 1 18 . 1 1 32 32 THR N N 32 123.707 123.707 114.046 9.661 25502 12856 1 18 . 1 1 32 32 THR HA H 32 3.988 3.988 3.962 0.026 25502 12857 1 18 . 1 1 32 32 THR CA C 32 37.678 37.678 65.366 -27.688 25502 12858 1 18 . 1 1 32 32 THR CB C 32 38.883 38.883 68.841 -29.957 25502 12859 1 18 . 1 1 32 32 THR H H 32 10.283 10.283 7.544 2.739 25502 12860 1 18 . 1 1 33 33 ALA N N 33 125.366 125.366 124.929 0.437 25502 12861 1 18 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.289 -0.252 25502 12862 1 18 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.389 0.478 25502 12863 1 18 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.329 -0.094 25502 12864 1 18 . 1 1 33 33 ALA H H 33 9.281 9.281 8.430 0.851 25502 12865 1 18 . 1 1 34 34 GLU N N 34 117.040 117.040 117.817 -0.777 25502 12866 1 18 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.901 0.608 25502 12867 1 18 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.745 -1.859 25502 12868 1 18 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.439 28.464 25502 12869 1 18 . 1 1 34 34 GLU H H 34 8.027 8.027 8.528 -0.501 25502 12870 1 18 . 1 1 35 35 ASN N N 35 115.398 115.398 118.288 -2.890 25502 12871 1 18 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.474 -0.420 25502 12872 1 18 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.656 -0.025 25502 12873 1 18 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.401 1.065 25502 12874 1 18 . 1 1 35 35 ASN H H 35 7.139 7.139 7.411 -0.272 25502 12875 1 18 . 1 1 36 36 PHE N N 36 117.607 117.607 120.536 -2.929 25502 12876 1 18 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.276 -0.167 25502 12877 1 18 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.745 0.646 25502 12878 1 18 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.219 0.794 25502 12879 1 18 . 1 1 36 36 PHE H H 36 7.012 7.012 7.677 -0.665 25502 12880 1 18 . 1 1 37 37 ARG N N 37 120.804 120.804 120.007 0.797 25502 12881 1 18 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.935 -0.303 25502 12882 1 18 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.607 0.774 25502 12883 1 18 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.280 -0.420 25502 12884 1 18 . 1 1 37 37 ARG H H 37 8.935 8.935 8.810 0.125 25502 12885 1 18 . 1 1 38 38 ALA N N 38 118.869 118.869 122.185 -3.316 25502 12886 1 18 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.122 -0.053 25502 12887 1 18 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.051 -0.711 25502 12888 1 18 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.238 -0.003 25502 12889 1 18 . 1 1 38 38 ALA H H 38 8.687 8.687 8.269 0.418 25502 12890 1 18 . 1 1 39 39 LEU N N 39 120.488 120.488 118.044 2.444 25502 12891 1 18 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.956 -0.212 25502 12892 1 18 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.041 0.074 25502 12893 1 18 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.012 -0.986 25502 12894 1 18 . 1 1 39 39 LEU H H 39 8.173 8.173 7.762 0.411 25502 12895 1 18 . 1 1 40 40 SER N N 40 118.952 118.952 114.255 4.697 25502 12896 1 18 . 1 1 40 40 SER HA H 40 4.444 4.444 3.758 0.686 25502 12897 1 18 . 1 1 40 40 SER CA C 40 62.334 62.334 61.465 0.869 25502 12898 1 18 . 1 1 40 40 SER CB C 40 62.884 62.884 62.739 0.145 25502 12899 1 18 . 1 1 40 40 SER H H 40 7.900 7.900 8.088 -0.188 25502 12900 1 18 . 1 1 41 41 THR N N 41 108.208 108.208 111.809 -3.601 25502 12901 1 18 . 1 1 41 41 THR HA H 41 4.288 4.288 4.070 0.218 25502 12902 1 18 . 1 1 41 41 THR CA C 41 62.810 62.810 64.813 -2.003 25502 12903 1 18 . 1 1 41 41 THR CB C 41 69.221 69.221 69.412 -0.191 25502 12904 1 18 . 1 1 41 41 THR H H 41 7.974 7.974 8.267 -0.293 25502 12905 1 18 . 1 1 42 42 GLY N N 42 108.122 108.122 109.875 -1.753 25502 12906 1 18 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.483 0.274 25502 12907 1 18 . 1 1 42 42 GLY H H 42 7.582 7.582 7.772 -0.190 25502 12908 1 18 . 1 1 43 43 GLU N N 43 118.454 118.454 122.199 -3.745 25502 12909 1 18 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.969 0.151 25502 12910 1 18 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.715 -0.358 25502 12911 1 18 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.106 0.836 25502 12912 1 18 . 1 1 43 43 GLU H H 43 8.009 8.009 7.733 0.276 25502 12913 1 18 . 1 1 44 44 LYS N N 44 118.055 118.055 119.260 -1.205 25502 12914 1 18 . 1 1 44 44 LYS HA H 44 4.281 4.281 4.072 0.209 25502 12915 1 18 . 1 1 44 44 LYS CA C 44 54.120 54.120 56.858 -2.738 25502 12916 1 18 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.613 -2.317 25502 12917 1 18 . 1 1 44 44 LYS H H 44 9.102 9.102 7.679 1.423 25502 12918 1 18 . 1 1 45 45 GLY N N 45 105.305 105.305 105.580 -0.275 25502 12919 1 18 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.205 -0.674 25502 12920 1 18 . 1 1 45 45 GLY H H 45 7.939 7.939 8.197 -0.258 25502 12921 1 18 . 1 1 46 46 PHE N N 46 113.461 113.461 116.310 -2.849 25502 12922 1 18 . 1 1 46 46 PHE HA H 46 4.624 4.624 5.094 -0.470 25502 12923 1 18 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.359 -1.478 25502 12924 1 18 . 1 1 46 46 PHE CB C 46 39.468 39.468 40.114 -0.646 25502 12925 1 18 . 1 1 46 46 PHE H H 46 6.413 6.413 7.342 -0.929 25502 12926 1 18 . 1 1 47 47 GLY N N 47 104.416 104.416 106.225 -1.809 25502 12927 1 18 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.253 0.205 25502 12928 1 18 . 1 1 47 47 GLY H H 47 7.686 7.686 8.362 -0.676 25502 12929 1 18 . 1 1 48 48 TYR N N 48 113.530 113.530 115.182 -1.652 25502 12930 1 18 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.018 0.190 25502 12931 1 18 . 1 1 48 48 TYR CA C 48 57.039 57.039 54.690 2.349 25502 12932 1 18 . 1 1 48 48 TYR CB C 48 38.419 38.419 37.964 0.455 25502 12933 1 18 . 1 1 48 48 TYR H H 48 6.887 6.887 8.029 -1.142 25502 12934 1 18 . 1 1 49 49 LYS N N 49 124.631 124.631 121.806 2.825 25502 12935 1 18 . 1 1 49 49 LYS HA H 49 3.595 3.595 3.550 0.045 25502 12936 1 18 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.926 2.956 25502 12937 1 18 . 1 1 49 49 LYS CB C 49 31.168 31.168 31.787 -0.619 25502 12938 1 18 . 1 1 49 49 LYS H H 49 8.474 8.474 7.220 1.254 25502 12939 1 18 . 1 1 50 50 GLY N N 50 117.591 117.591 112.757 4.834 25502 12940 1 18 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.338 -0.297 25502 12941 1 18 . 1 1 50 50 GLY H H 50 9.482 9.482 8.862 0.620 25502 12942 1 18 . 1 1 51 51 SER N N 51 116.156 116.156 114.032 2.124 25502 12943 1 18 . 1 1 51 51 SER HA H 51 4.658 4.658 4.911 -0.253 25502 12944 1 18 . 1 1 51 51 SER CA C 51 58.682 58.682 58.035 0.647 25502 12945 1 18 . 1 1 51 51 SER CB C 51 64.607 64.607 65.296 -0.689 25502 12946 1 18 . 1 1 51 51 SER H H 51 8.397 8.397 8.012 0.385 25502 12947 1 18 . 1 1 52 52 CYS N N 52 114.800 114.800 116.119 -1.319 25502 12948 1 18 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.235 0.660 25502 12949 1 18 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.723 -0.758 25502 12950 1 18 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.770 0.949 25502 12951 1 18 . 1 1 52 52 CYS H H 52 9.858 9.858 8.684 1.174 25502 12952 1 18 . 1 1 53 53 PHE N N 53 122.839 122.839 121.544 1.295 25502 12953 1 18 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.960 -0.107 25502 12954 1 18 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.737 0.346 25502 12955 1 18 . 1 1 53 53 PHE CB C 53 38.728 38.728 41.112 -2.384 25502 12956 1 18 . 1 1 53 53 PHE H H 53 8.702 8.702 8.583 0.119 25502 12957 1 18 . 1 1 54 54 HIS N N 54 119.944 119.944 122.067 -2.123 25502 12958 1 18 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.838 -0.132 25502 12959 1 18 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.692 1.293 25502 12960 1 18 . 1 1 54 54 HIS CB C 54 31.344 31.344 31.093 0.251 25502 12961 1 18 . 1 1 54 54 HIS H H 54 7.623 7.623 8.701 -1.078 25502 12962 1 18 . 1 1 55 55 ARG N N 55 122.758 122.758 120.623 2.135 25502 12963 1 18 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.575 0.524 25502 12964 1 18 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.370 -1.667 25502 12965 1 18 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.598 3.173 25502 12966 1 18 . 1 1 55 55 ARG H H 55 7.031 7.031 8.140 -1.109 25502 12967 1 18 . 1 1 56 56 ILE N N 56 126.170 126.170 123.182 2.988 25502 12968 1 18 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.379 0.210 25502 12969 1 18 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.955 0.496 25502 12970 1 18 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.105 0.527 25502 12971 1 18 . 1 1 56 56 ILE H H 56 9.166 9.166 8.056 1.110 25502 12972 1 18 . 1 1 57 57 ILE N N 57 127.731 127.731 126.974 0.757 25502 12973 1 18 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.928 0.269 25502 12974 1 18 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.514 0.100 25502 12975 1 18 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.767 0.248 25502 12976 1 18 . 1 1 57 57 ILE H H 57 8.718 8.718 8.534 0.184 25502 12977 1 18 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.504 -0.180 25502 12978 1 18 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.067 -0.118 25502 12979 1 18 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.117 1.794 25502 12980 1 18 . 1 1 59 59 GLY N N 59 113.877 113.877 109.149 4.728 25502 12981 1 18 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.669 -0.491 25502 12982 1 18 . 1 1 59 59 GLY H H 59 9.679 9.679 8.184 1.495 25502 12983 1 18 . 1 1 60 60 PHE N N 60 118.955 118.955 121.288 -2.333 25502 12984 1 18 . 1 1 60 60 PHE HA H 60 5.093 5.093 5.071 0.022 25502 12985 1 18 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.325 -1.579 25502 12986 1 18 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.382 -2.689 25502 12987 1 18 . 1 1 60 60 PHE H H 60 8.095 8.095 7.944 0.151 25502 12988 1 18 . 1 1 61 61 MET N N 61 110.963 110.963 111.394 -0.431 25502 12989 1 18 . 1 1 61 61 MET HA H 61 5.311 5.311 4.899 0.412 25502 12990 1 18 . 1 1 61 61 MET CA C 61 54.802 54.802 55.386 -0.584 25502 12991 1 18 . 1 1 61 61 MET CB C 61 34.892 34.892 33.821 1.071 25502 12992 1 18 . 1 1 61 61 MET H H 61 8.088 8.088 7.916 0.172 25502 12993 1 18 . 1 1 62 62 CYS N N 62 114.627 114.627 118.956 -4.329 25502 12994 1 18 . 1 1 62 62 CYS HA H 62 4.873 4.873 5.030 -0.157 25502 12995 1 18 . 1 1 62 62 CYS CA C 62 57.335 57.335 56.870 0.465 25502 12996 1 18 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.577 29.483 25502 12997 1 18 . 1 1 62 62 CYS H H 62 8.474 8.474 8.193 0.281 25502 12998 1 18 . 1 1 63 63 GLN N N 63 126.463 126.463 118.183 8.280 25502 12999 1 18 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.238 1.138 25502 13000 1 18 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.546 -1.022 25502 13001 1 18 . 1 1 63 63 GLN CB C 63 30.400 30.400 31.799 -1.399 25502 13002 1 18 . 1 1 63 63 GLN H H 63 9.651 9.651 8.250 1.401 25502 13003 1 18 . 1 1 64 64 GLY N N 64 110.531 110.531 108.653 1.878 25502 13004 1 18 . 1 1 64 64 GLY CA C 64 44.400 44.400 43.754 0.646 25502 13005 1 18 . 1 1 64 64 GLY H H 64 7.352 7.352 8.585 -1.233 25502 13006 1 18 . 1 1 65 65 GLY N N 65 105.572 105.572 107.645 -2.073 25502 13007 1 18 . 1 1 65 65 GLY CA C 65 46.425 46.425 43.771 2.654 25502 13008 1 18 . 1 1 65 65 GLY H H 65 9.292 9.292 7.854 1.438 25502 13009 1 18 . 1 1 66 66 ASP N N 66 123.656 123.656 119.686 3.970 25502 13010 1 18 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.516 -0.226 25502 13011 1 18 . 1 1 66 66 ASP CA C 66 51.505 51.505 54.774 -3.269 25502 13012 1 18 . 1 1 66 66 ASP CB C 66 38.702 38.702 41.724 -3.022 25502 13013 1 18 . 1 1 66 66 ASP H H 66 9.910 9.910 8.492 1.418 25502 13014 1 18 . 1 1 67 67 PHE N N 67 115.914 115.914 110.220 5.694 25502 13015 1 18 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.780 -0.183 25502 13016 1 18 . 1 1 67 67 PHE CA C 67 55.784 55.784 57.842 -2.058 25502 13017 1 18 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.389 -0.032 25502 13018 1 18 . 1 1 67 67 PHE H H 67 6.624 6.624 8.063 -1.439 25502 13019 1 18 . 1 1 68 68 THR N N 68 108.853 108.853 118.489 -9.636 25502 13020 1 18 . 1 1 68 68 THR HA H 68 4.638 4.638 4.234 0.404 25502 13021 1 18 . 1 1 68 68 THR CA C 68 61.621 61.621 62.260 -0.639 25502 13022 1 18 . 1 1 68 68 THR CB C 68 68.789 68.789 67.722 1.067 25502 13023 1 18 . 1 1 68 68 THR H H 68 7.320 7.320 8.073 -0.753 25502 13024 1 18 . 1 1 69 69 ARG N N 69 121.780 121.780 120.722 1.058 25502 13025 1 18 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.423 -0.061 25502 13026 1 18 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.662 -1.634 25502 13027 1 18 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.699 30.834 25502 13028 1 18 . 1 1 69 69 ARG H H 69 8.655 8.655 7.963 0.692 25502 13029 1 18 . 1 1 70 70 HIS N N 70 112.009 112.009 119.057 -7.048 25502 13030 1 18 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.575 -0.177 25502 13031 1 18 . 1 1 70 70 HIS CA C 70 57.135 57.135 58.590 -1.455 25502 13032 1 18 . 1 1 70 70 HIS CB C 70 58.434 58.434 31.179 27.255 25502 13033 1 18 . 1 1 70 70 HIS H H 70 6.838 6.838 8.344 -1.506 25502 13034 1 18 . 1 1 71 71 ASN N N 71 112.340 112.340 116.141 -3.801 25502 13035 1 18 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.735 -0.140 25502 13036 1 18 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.010 -0.850 25502 13037 1 18 . 1 1 71 71 ASN CB C 71 38.707 38.707 38.601 0.106 25502 13038 1 18 . 1 1 71 71 ASN H H 71 7.519 7.519 8.498 -0.979 25502 13039 1 18 . 1 1 72 72 GLY N N 72 110.239 110.239 107.298 2.941 25502 13040 1 18 . 1 1 72 72 GLY CA C 72 44.573 44.573 46.157 -1.584 25502 13041 1 18 . 1 1 72 72 GLY H H 72 9.619 9.619 8.514 1.105 25502 13042 1 18 . 1 1 73 73 THR N N 73 111.802 111.802 114.120 -2.318 25502 13043 1 18 . 1 1 73 73 THR HA H 73 4.487 4.487 4.443 0.044 25502 13044 1 18 . 1 1 73 73 THR CA C 73 62.070 62.070 61.772 0.298 25502 13045 1 18 . 1 1 73 73 THR CB C 73 40.762 40.762 69.011 -28.249 25502 13046 1 18 . 1 1 73 73 THR H H 73 7.930 7.930 7.526 0.405 25502 13047 1 18 . 1 1 74 74 GLY N N 74 113.668 113.668 109.289 4.379 25502 13048 1 18 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.963 -0.055 25502 13049 1 18 . 1 1 74 74 GLY H H 74 8.669 8.669 7.921 0.748 25502 13050 1 18 . 1 1 75 75 GLY N N 75 108.813 108.813 108.768 0.045 25502 13051 1 18 . 1 1 75 75 GLY CA C 75 43.037 43.037 43.550 -0.513 25502 13052 1 18 . 1 1 75 75 GLY H H 75 8.066 8.066 7.673 0.393 25502 13053 1 18 . 1 1 76 76 LYS N N 76 115.526 115.526 118.123 -2.597 25502 13054 1 18 . 1 1 76 76 LYS HA H 76 4.585 4.585 3.938 0.647 25502 13055 1 18 . 1 1 76 76 LYS CA C 76 55.707 55.707 57.057 -1.350 25502 13056 1 18 . 1 1 76 76 LYS CB C 76 34.515 34.515 32.092 2.423 25502 13057 1 18 . 1 1 76 76 LYS H H 76 6.981 6.981 8.067 -1.086 25502 13058 1 18 . 1 1 77 77 SER N N 77 114.105 114.105 114.865 -0.760 25502 13059 1 18 . 1 1 77 77 SER HA H 77 5.185 5.185 4.451 0.734 25502 13060 1 18 . 1 1 77 77 SER CA C 77 56.816 56.816 59.799 -2.983 25502 13061 1 18 . 1 1 77 77 SER CB C 77 38.963 38.963 64.398 -25.435 25502 13062 1 18 . 1 1 78 78 ILE N N 78 110.963 110.963 115.584 -4.621 25502 13063 1 18 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.572 -0.402 25502 13064 1 18 . 1 1 78 78 ILE CA C 78 63.517 63.517 61.120 2.397 25502 13065 1 18 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.623 -0.315 25502 13066 1 18 . 1 1 78 78 ILE H H 78 8.557 8.557 8.183 0.374 25502 13067 1 18 . 1 1 79 79 TYR N N 79 120.472 120.472 120.921 -0.449 25502 13068 1 18 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.555 0.112 25502 13069 1 18 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.985 -2.838 25502 13070 1 18 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.692 -0.967 25502 13071 1 18 . 1 1 79 79 TYR H H 79 8.007 8.007 7.915 0.092 25502 13072 1 18 . 1 1 80 80 GLY N N 80 106.402 106.402 106.517 -0.115 25502 13073 1 18 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.635 -1.887 25502 13074 1 18 . 1 1 80 80 GLY H H 80 7.115 7.115 8.443 -1.328 25502 13075 1 18 . 1 1 81 81 GLU N N 81 122.838 122.838 119.835 3.003 25502 13076 1 18 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.559 -0.613 25502 13077 1 18 . 1 1 81 81 GLU CA C 81 60.138 60.138 56.695 3.443 25502 13078 1 18 . 1 1 81 81 GLU CB C 81 30.108 30.108 31.384 -1.276 25502 13079 1 18 . 1 1 81 81 GLU H H 81 8.878 8.878 8.537 0.341 25502 13080 1 18 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.560 0.965 25502 13081 1 18 . 1 1 82 82 LYS CA C 82 53.775 53.775 56.033 -2.258 25502 13082 1 18 . 1 1 82 82 LYS CB C 82 36.311 36.311 34.440 1.871 25502 13083 1 18 . 1 1 82 82 LYS H H 82 7.799 7.799 7.561 0.238 25502 13084 1 18 . 1 1 83 83 PHE N N 83 116.432 116.432 118.702 -2.270 25502 13085 1 18 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.846 0.099 25502 13086 1 18 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.411 0.326 25502 13087 1 18 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.301 -0.007 25502 13088 1 18 . 1 1 83 83 PHE H H 83 9.147 9.147 8.429 0.718 25502 13089 1 18 . 1 1 84 84 GLU N N 84 119.352 119.352 118.679 0.673 25502 13090 1 18 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.055 -0.253 25502 13091 1 18 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.275 0.922 25502 13092 1 18 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.901 -1.796 25502 13093 1 18 . 1 1 84 84 GLU H H 84 9.252 9.252 8.293 0.959 25502 13094 1 18 . 1 1 85 85 ASP N N 85 118.583 118.583 121.804 -3.221 25502 13095 1 18 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.256 -0.030 25502 13096 1 18 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.623 -1.649 25502 13097 1 18 . 1 1 85 85 ASP CB C 85 40.785 40.785 42.020 -1.235 25502 13098 1 18 . 1 1 85 85 ASP H H 85 8.593 8.593 8.507 0.086 25502 13099 1 18 . 1 1 86 86 GLU N N 86 131.488 131.488 124.812 6.676 25502 13100 1 18 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.147 -0.352 25502 13101 1 18 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.718 2.555 25502 13102 1 18 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.912 0.727 25502 13103 1 18 . 1 1 86 86 GLU H H 86 9.461 9.461 8.806 0.655 25502 13104 1 18 . 1 1 87 87 ASN N N 87 106.549 106.549 112.917 -6.368 25502 13105 1 18 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.966 0.164 25502 13106 1 18 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.780 0.809 25502 13107 1 18 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.913 -0.564 25502 13108 1 18 . 1 1 87 87 ASN H H 87 7.044 7.044 7.648 -0.604 25502 13109 1 18 . 1 1 88 88 PHE N N 88 112.731 112.731 114.250 -1.519 25502 13110 1 18 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.892 1.035 25502 13111 1 18 . 1 1 88 88 PHE CA C 88 55.688 55.688 55.925 -0.236 25502 13112 1 18 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.532 0.287 25502 13113 1 18 . 1 1 88 88 PHE H H 88 8.319 8.319 8.016 0.303 25502 13114 1 18 . 1 1 89 89 ILE N N 89 119.556 119.556 120.495 -0.939 25502 13115 1 18 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.870 -0.218 25502 13116 1 18 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.943 0.944 25502 13117 1 18 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.758 1.181 25502 13118 1 18 . 1 1 89 89 ILE H H 89 8.302 8.302 7.902 0.400 25502 13119 1 18 . 1 1 90 90 LEU N N 90 116.951 116.951 120.855 -3.904 25502 13120 1 18 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.347 0.109 25502 13121 1 18 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.362 0.823 25502 13122 1 18 . 1 1 90 90 LEU CB C 90 41.910 41.910 41.028 0.882 25502 13123 1 18 . 1 1 90 90 LEU H H 90 7.746 7.746 7.797 -0.051 25502 13124 1 18 . 1 1 91 91 LYS N N 91 118.722 118.722 121.944 -3.222 25502 13125 1 18 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.188 0.440 25502 13126 1 18 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.514 -1.199 25502 13127 1 18 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.738 0.812 25502 13128 1 18 . 1 1 91 91 LYS H H 91 8.057 8.057 8.149 -0.092 25502 13129 1 18 . 1 1 92 92 HIS N N 92 122.221 122.221 121.795 0.426 25502 13130 1 18 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.316 0.026 25502 13131 1 18 . 1 1 92 92 HIS CA C 92 56.756 56.756 57.151 -0.395 25502 13132 1 18 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.926 -2.031 25502 13133 1 18 . 1 1 92 92 HIS H H 92 10.706 10.706 8.403 2.303 25502 13134 1 18 . 1 1 93 93 THR N N 93 110.178 110.178 117.082 -6.904 25502 13135 1 18 . 1 1 93 93 THR HA H 93 4.004 4.004 4.238 -0.234 25502 13136 1 18 . 1 1 93 93 THR CA C 93 63.018 63.018 62.783 0.235 25502 13137 1 18 . 1 1 93 93 THR CB C 93 69.341 69.341 70.126 -0.785 25502 13138 1 18 . 1 1 93 93 THR H H 93 7.261 7.261 7.811 -0.550 25502 13139 1 18 . 1 1 94 94 GLY N N 94 106.990 106.990 108.892 -1.902 25502 13140 1 18 . 1 1 94 94 GLY CA C 94 45.454 45.454 43.595 1.859 25502 13141 1 18 . 1 1 94 94 GLY H H 94 7.489 7.489 7.887 -0.398 25502 13142 1 18 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.232 -0.428 25502 13143 1 18 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.774 -0.235 25502 13144 1 18 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.669 29.283 25502 13145 1 18 . 1 1 96 96 GLY N N 96 109.908 109.908 106.689 3.219 25502 13146 1 18 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.650 -0.821 25502 13147 1 18 . 1 1 96 96 GLY H H 96 9.271 9.271 8.654 0.617 25502 13148 1 18 . 1 1 97 97 ILE N N 97 121.176 121.176 120.546 0.630 25502 13149 1 18 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.422 -0.307 25502 13150 1 18 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.670 -0.359 25502 13151 1 18 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.540 -0.782 25502 13152 1 18 . 1 1 97 97 ILE H H 97 6.765 6.765 7.325 -0.560 25502 13153 1 18 . 1 1 98 98 LEU N N 98 128.477 128.477 127.031 1.446 25502 13154 1 18 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.802 0.196 25502 13155 1 18 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.889 -0.656 25502 13156 1 18 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.947 -1.323 25502 13157 1 18 . 1 1 98 98 LEU H H 98 7.872 7.872 8.632 -0.760 25502 13158 1 18 . 1 1 99 99 SER N N 99 118.325 118.325 115.999 2.326 25502 13159 1 18 . 1 1 99 99 SER HA H 99 5.316 5.316 4.945 0.371 25502 13160 1 18 . 1 1 99 99 SER CA C 99 54.909 54.909 56.880 -1.972 25502 13161 1 18 . 1 1 99 99 SER CB C 99 65.380 65.380 65.982 -0.602 25502 13162 1 18 . 1 1 99 99 SER H H 99 8.285 8.285 8.547 -0.262 25502 13163 1 18 . 1 1 100 100 MET N N 100 122.826 122.826 121.335 1.491 25502 13164 1 18 . 1 1 100 100 MET HA H 100 5.259 5.259 4.513 0.746 25502 13165 1 18 . 1 1 100 100 MET CA C 100 53.800 53.800 54.392 -0.592 25502 13166 1 18 . 1 1 100 100 MET CB C 100 30.960 30.960 32.562 -1.602 25502 13167 1 18 . 1 1 100 100 MET H H 100 8.544 8.544 8.226 0.318 25502 13168 1 18 . 1 1 101 101 ALA N N 101 125.971 125.971 127.936 -1.965 25502 13169 1 18 . 1 1 101 101 ALA HA H 101 4.276 4.276 3.508 0.768 25502 13170 1 18 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.250 0.248 25502 13171 1 18 . 1 1 101 101 ALA CB C 101 19.403 19.403 16.791 2.612 25502 13172 1 18 . 1 1 101 101 ALA H H 101 7.999 7.999 8.170 -0.171 25502 13173 1 18 . 1 1 102 102 ASN N N 102 113.207 113.207 119.255 -6.048 25502 13174 1 18 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.798 -0.222 25502 13175 1 18 . 1 1 102 102 ASN CA C 102 53.841 53.841 51.597 2.244 25502 13176 1 18 . 1 1 102 102 ASN CB C 102 40.379 40.379 40.113 0.266 25502 13177 1 18 . 1 1 102 102 ASN H H 102 8.097 8.097 7.559 0.538 25502 13178 1 18 . 1 1 103 103 ALA N N 103 123.056 123.056 120.484 2.572 25502 13179 1 18 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.127 0.658 25502 13180 1 18 . 1 1 103 103 ALA CA C 103 50.154 50.154 53.676 -3.522 25502 13181 1 18 . 1 1 103 103 ALA CB C 103 19.029 19.029 18.953 0.076 25502 13182 1 18 . 1 1 103 103 ALA H H 103 8.787 8.787 8.838 -0.051 25502 13183 1 18 . 1 1 104 104 GLY N N 104 108.942 108.942 105.567 3.375 25502 13184 1 18 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.969 -1.560 25502 13185 1 18 . 1 1 104 104 GLY H H 104 8.111 8.111 8.592 -0.481 25502 13186 1 18 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.394 -0.067 25502 13187 1 18 . 1 1 105 105 PRO CA C 105 63.883 63.883 62.999 0.884 25502 13188 1 18 . 1 1 105 105 PRO CB C 105 31.902 31.902 29.962 1.940 25502 13189 1 18 . 1 1 106 106 ASN N N 106 118.866 118.866 119.988 -1.122 25502 13190 1 18 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.101 -0.104 25502 13191 1 18 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.706 -0.603 25502 13192 1 18 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.382 -0.390 25502 13193 1 18 . 1 1 106 106 ASN H H 106 8.866 8.866 8.195 0.671 25502 13194 1 18 . 1 1 107 107 THR N N 107 109.971 109.971 110.612 -0.641 25502 13195 1 18 . 1 1 107 107 THR HA H 107 4.434 4.434 3.802 0.632 25502 13196 1 18 . 1 1 107 107 THR CA C 107 60.040 60.040 63.654 -3.614 25502 13197 1 18 . 1 1 107 107 THR CB C 107 39.196 39.196 67.269 -28.073 25502 13198 1 18 . 1 1 107 107 THR H H 107 10.165 10.165 8.232 1.933 25502 13199 1 18 . 1 1 108 108 ASN N N 108 120.251 120.251 118.701 1.550 25502 13200 1 18 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.761 -0.546 25502 13201 1 18 . 1 1 108 108 ASN CA C 108 55.448 55.448 52.343 3.105 25502 13202 1 18 . 1 1 108 108 ASN CB C 108 39.600 39.600 39.727 -0.127 25502 13203 1 18 . 1 1 108 108 ASN H H 108 7.349 7.349 7.159 0.190 25502 13204 1 18 . 1 1 109 109 GLY N N 109 110.632 110.632 107.796 2.836 25502 13205 1 18 . 1 1 109 109 GLY CA C 109 46.039 46.039 44.793 1.246 25502 13206 1 18 . 1 1 109 109 GLY H H 109 9.188 9.188 8.487 0.701 25502 13207 1 18 . 1 1 110 110 SER N N 110 116.806 116.806 114.405 2.401 25502 13208 1 18 . 1 1 110 110 SER HA H 110 4.698 4.698 4.098 0.600 25502 13209 1 18 . 1 1 110 110 SER CA C 110 57.454 57.454 58.961 -1.507 25502 13210 1 18 . 1 1 110 110 SER CB C 110 65.964 65.964 63.106 2.857 25502 13211 1 18 . 1 1 110 110 SER H H 110 8.738 8.738 8.578 0.160 25502 13212 1 18 . 1 1 111 111 GLN N N 111 124.263 124.263 116.998 7.265 25502 13213 1 18 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.176 0.992 25502 13214 1 18 . 1 1 111 111 GLN CA C 111 57.494 57.494 56.457 1.037 25502 13215 1 18 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.245 2.387 25502 13216 1 18 . 1 1 111 111 GLN H H 111 8.388 8.388 8.015 0.373 25502 13217 1 18 . 1 1 112 112 PHE N N 112 117.560 117.560 114.411 3.149 25502 13218 1 18 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.482 1.232 25502 13219 1 18 . 1 1 112 112 PHE CA C 112 55.447 55.447 56.538 -1.091 25502 13220 1 18 . 1 1 112 112 PHE CB C 112 43.000 43.000 41.118 1.882 25502 13221 1 18 . 1 1 112 112 PHE H H 112 8.058 8.058 7.771 0.287 25502 13222 1 18 . 1 1 113 113 PHE N N 113 116.199 116.199 118.561 -2.362 25502 13223 1 18 . 1 1 113 113 PHE HA H 113 5.670 5.670 3.957 1.713 25502 13224 1 18 . 1 1 113 113 PHE CA C 113 54.437 54.437 54.568 -0.131 25502 13225 1 18 . 1 1 113 113 PHE CB C 113 42.617 42.617 37.865 4.752 25502 13226 1 18 . 1 1 113 113 PHE H H 113 9.795 9.795 8.310 1.485 25502 13227 1 18 . 1 1 114 114 ILE N N 114 118.391 118.391 121.450 -3.059 25502 13228 1 18 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.831 0.963 25502 13229 1 18 . 1 1 114 114 ILE CA C 114 60.060 60.060 62.745 -2.685 25502 13230 1 18 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.511 2.651 25502 13231 1 18 . 1 1 114 114 ILE H H 114 9.098 9.098 7.931 1.167 25502 13232 1 18 . 1 1 115 115 CYS N N 115 125.271 125.271 128.541 -3.270 25502 13233 1 18 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.313 0.439 25502 13234 1 18 . 1 1 115 115 CYS CA C 115 60.672 60.672 57.801 2.871 25502 13235 1 18 . 1 1 115 115 CYS CB C 115 58.569 58.569 26.034 32.535 25502 13236 1 18 . 1 1 115 115 CYS H H 115 9.597 9.597 8.428 1.169 25502 13237 1 18 . 1 1 116 116 THR N N 116 115.478 115.478 115.728 -0.250 25502 13238 1 18 . 1 1 116 116 THR HA H 116 4.324 4.324 4.252 0.072 25502 13239 1 18 . 1 1 116 116 THR CA C 116 60.720 60.720 61.945 -1.225 25502 13240 1 18 . 1 1 116 116 THR CB C 116 66.502 66.502 68.622 -2.120 25502 13241 1 18 . 1 1 116 116 THR H H 116 8.947 8.947 8.088 0.859 25502 13242 1 18 . 1 1 117 117 ALA N N 117 121.996 121.996 122.579 -0.583 25502 13243 1 18 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.350 0.008 25502 13244 1 18 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.706 -1.194 25502 13245 1 18 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.890 1.718 25502 13246 1 18 . 1 1 117 117 ALA H H 117 7.602 7.602 7.274 0.328 25502 13247 1 18 . 1 1 118 118 LYS N N 118 119.550 119.550 121.991 -2.441 25502 13248 1 18 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.929 -0.150 25502 13249 1 18 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.306 0.359 25502 13250 1 18 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.333 1.166 25502 13251 1 18 . 1 1 118 118 LYS H H 118 8.690 8.690 8.373 0.317 25502 13252 1 18 . 1 1 119 119 THR N N 119 118.759 118.759 117.233 1.526 25502 13253 1 18 . 1 1 119 119 THR HA H 119 3.623 3.623 1.864 1.759 25502 13254 1 18 . 1 1 119 119 THR CA C 119 57.088 57.088 58.284 -1.196 25502 13255 1 18 . 1 1 119 119 THR H H 119 7.328 7.328 7.627 -0.299 25502 13256 1 18 . 1 1 120 120 GLU N N 120 124.407 124.407 121.823 2.584 25502 13257 1 18 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.921 0.199 25502 13258 1 18 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.321 0.751 25502 13259 1 18 . 1 1 120 120 GLU H H 120 9.092 9.092 7.343 1.749 25502 13260 1 18 . 1 1 121 121 TRP N N 121 117.495 117.495 119.152 -1.657 25502 13261 1 18 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.399 0.254 25502 13262 1 18 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.091 1.370 25502 13263 1 18 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.305 -1.555 25502 13264 1 18 . 1 1 121 121 TRP H H 121 7.251 7.251 7.443 -0.192 25502 13265 1 18 . 1 1 122 122 LEU N N 122 119.528 119.528 119.745 -0.217 25502 13266 1 18 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.985 0.266 25502 13267 1 18 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.765 -2.265 25502 13268 1 18 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.658 -2.759 25502 13269 1 18 . 1 1 122 122 LEU H H 122 7.019 7.019 6.890 0.129 25502 13270 1 18 . 1 1 123 123 ASP N N 123 121.832 121.832 117.215 4.617 25502 13271 1 18 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.320 0.845 25502 13272 1 18 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.260 0.596 25502 13273 1 18 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.044 -0.672 25502 13274 1 18 . 1 1 123 123 ASP H H 123 7.607 7.607 7.911 -0.304 25502 13275 1 18 . 1 1 124 124 GLY N N 124 110.836 110.836 106.726 4.110 25502 13276 1 18 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.778 -0.755 25502 13277 1 18 . 1 1 124 124 GLY H H 124 9.522 9.522 8.601 0.921 25502 13278 1 18 . 1 1 125 125 LYS N N 125 115.016 115.016 117.056 -2.040 25502 13279 1 18 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.054 0.055 25502 13280 1 18 . 1 1 125 125 LYS CA C 125 56.248 56.248 57.047 -0.799 25502 13281 1 18 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.754 2.635 25502 13282 1 18 . 1 1 125 125 LYS H H 125 7.727 7.727 8.297 -0.570 25502 13283 1 18 . 1 1 126 126 HIS N N 126 119.223 119.223 113.406 5.817 25502 13284 1 18 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.861 -0.062 25502 13285 1 18 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.901 -0.342 25502 13286 1 18 . 1 1 126 126 HIS H H 126 7.571 7.571 7.593 -0.022 25502 13287 1 18 . 1 1 127 127 VAL N N 127 124.730 124.730 120.372 4.358 25502 13288 1 18 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.343 -0.085 25502 13289 1 18 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.162 2.485 25502 13290 1 18 . 1 1 127 127 VAL CB C 127 33.416 33.416 34.184 -0.768 25502 13291 1 18 . 1 1 127 127 VAL H H 127 8.474 8.474 8.622 -0.148 25502 13292 1 18 . 1 1 128 128 VAL N N 128 132.814 132.814 128.086 4.728 25502 13293 1 18 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.245 -0.095 25502 13294 1 18 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.211 -0.842 25502 13295 1 18 . 1 1 128 128 VAL H H 128 9.470 9.470 8.792 0.678 25502 13296 1 18 . 1 1 129 129 PHE N N 129 117.478 117.478 121.647 -4.169 25502 13297 1 18 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.023 0.230 25502 13298 1 18 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.439 -0.532 25502 13299 1 18 . 1 1 129 129 PHE CB C 129 42.456 42.456 40.174 2.282 25502 13300 1 18 . 1 1 129 129 PHE H H 129 8.086 8.086 8.012 0.074 25502 13301 1 18 . 1 1 130 130 GLY N N 130 110.497 110.497 108.183 2.314 25502 13302 1 18 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.147 1.247 25502 13303 1 18 . 1 1 130 130 GLY H H 130 7.297 7.297 7.474 -0.177 25502 13304 1 18 . 1 1 131 131 LYS N N 131 115.059 115.059 118.306 -3.247 25502 13305 1 18 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.745 0.462 25502 13306 1 18 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.465 -0.670 25502 13307 1 18 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.865 -0.013 25502 13308 1 18 . 1 1 131 131 LYS H H 131 8.353 8.353 8.187 0.166 25502 13309 1 18 . 1 1 132 132 VAL N N 132 123.802 123.802 125.683 -1.881 25502 13310 1 18 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.907 -0.019 25502 13311 1 18 . 1 1 132 132 VAL CA C 132 63.947 63.947 63.837 0.109 25502 13312 1 18 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.185 2.362 25502 13313 1 18 . 1 1 132 132 VAL H H 132 9.015 9.015 8.658 0.357 25502 13314 1 18 . 1 1 133 133 LYS N N 133 131.324 131.324 128.129 3.195 25502 13315 1 18 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.139 0.285 25502 13316 1 18 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.333 -0.674 25502 13317 1 18 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.464 0.403 25502 13318 1 18 . 1 1 133 133 LYS H H 133 9.469 9.469 8.818 0.651 25502 13319 1 18 . 1 1 134 134 GLU N N 134 118.178 118.178 116.185 1.993 25502 13320 1 18 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.387 0.172 25502 13321 1 18 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.701 -0.553 25502 13322 1 18 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.416 0.320 25502 13323 1 18 . 1 1 134 134 GLU H H 134 7.543 7.543 7.610 -0.067 25502 13324 1 18 . 1 1 135 135 GLY N N 135 107.767 107.767 109.840 -2.073 25502 13325 1 18 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.203 0.664 25502 13326 1 18 . 1 1 135 135 GLY H H 135 8.693 8.693 8.724 -0.031 25502 13327 1 18 . 1 1 136 136 MET N N 136 122.307 122.307 119.178 3.129 25502 13328 1 18 . 1 1 136 136 MET HA H 136 4.437 4.437 4.067 0.370 25502 13329 1 18 . 1 1 136 136 MET CA C 136 56.659 56.659 57.000 -0.341 25502 13330 1 18 . 1 1 136 136 MET CB C 136 30.025 30.025 31.793 -1.768 25502 13331 1 18 . 1 1 136 136 MET H H 136 8.790 8.790 8.505 0.285 25502 13332 1 18 . 1 1 137 137 ASN N N 137 114.221 114.221 117.101 -2.880 25502 13333 1 18 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.433 0.017 25502 13334 1 18 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.756 0.170 25502 13335 1 18 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.462 -1.645 25502 13336 1 18 . 1 1 137 137 ASN H H 137 8.849 8.849 8.555 0.294 25502 13337 1 18 . 1 1 138 138 ILE N N 138 123.949 123.949 119.442 4.507 25502 13338 1 18 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.961 -0.211 25502 13339 1 18 . 1 1 138 138 ILE CA C 138 61.331 61.331 62.689 -1.358 25502 13340 1 18 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.584 -2.244 25502 13341 1 18 . 1 1 138 138 ILE H H 138 7.642 7.642 8.330 -0.688 25502 13342 1 18 . 1 1 139 139 VAL N N 139 121.654 121.654 119.124 2.530 25502 13343 1 18 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.757 0.087 25502 13344 1 18 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.967 -0.936 25502 13345 1 18 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.237 -0.261 25502 13346 1 18 . 1 1 139 139 VAL H H 139 7.244 7.244 7.684 -0.440 25502 13347 1 18 . 1 1 140 140 GLU N N 140 117.078 117.078 118.456 -1.378 25502 13348 1 18 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.061 -0.018 25502 13349 1 18 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.873 0.289 25502 13350 1 18 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.364 0.055 25502 13351 1 18 . 1 1 140 140 GLU H H 140 8.291 8.291 7.580 0.711 25502 13352 1 18 . 1 1 141 141 ALA N N 141 120.813 120.813 122.585 -1.772 25502 13353 1 18 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.163 -0.102 25502 13354 1 18 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.890 -0.161 25502 13355 1 18 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.480 -0.463 25502 13356 1 18 . 1 1 141 141 ALA H H 141 7.495 7.495 7.514 -0.019 25502 13357 1 18 . 1 1 142 142 MET N N 142 117.301 117.301 117.599 -0.298 25502 13358 1 18 . 1 1 142 142 MET HA H 142 3.938 3.938 4.296 -0.358 25502 13359 1 18 . 1 1 142 142 MET CA C 142 59.610 59.610 59.320 0.290 25502 13360 1 18 . 1 1 142 142 MET CB C 142 33.678 33.678 32.478 1.200 25502 13361 1 18 . 1 1 142 142 MET H H 142 8.259 8.259 8.031 0.228 25502 13362 1 18 . 1 1 143 143 GLU N N 143 116.052 116.052 117.965 -1.913 25502 13363 1 18 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.133 -0.417 25502 13364 1 18 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.054 0.128 25502 13365 1 18 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.730 1.540 25502 13366 1 18 . 1 1 143 143 GLU H H 143 7.832 7.832 8.001 -0.169 25502 13367 1 18 . 1 1 144 144 ARG N N 144 114.357 114.357 119.328 -4.971 25502 13368 1 18 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.053 -0.131 25502 13369 1 18 . 1 1 144 144 ARG CA C 144 57.542 57.542 58.009 -0.467 25502 13370 1 18 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.358 -0.055 25502 13371 1 18 . 1 1 144 144 ARG H H 144 7.034 7.034 7.300 -0.266 25502 13372 1 18 . 1 1 145 145 PHE N N 145 115.146 115.146 116.840 -1.694 25502 13373 1 18 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.865 -0.072 25502 13374 1 18 . 1 1 145 145 PHE CA C 145 57.614 57.614 56.755 0.859 25502 13375 1 18 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.151 -0.238 25502 13376 1 18 . 1 1 145 145 PHE H H 145 7.624 7.624 8.155 -0.531 25502 13377 1 18 . 1 1 146 146 GLY N N 146 104.498 104.498 107.569 -3.071 25502 13378 1 18 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.720 0.429 25502 13379 1 18 . 1 1 146 146 GLY H H 146 7.514 7.514 7.359 0.155 25502 13380 1 18 . 1 1 147 147 SER N N 147 109.815 109.815 115.506 -5.691 25502 13381 1 18 . 1 1 147 147 SER HA H 147 4.755 4.755 4.712 0.043 25502 13382 1 18 . 1 1 147 147 SER CA C 147 58.033 58.033 57.061 0.972 25502 13383 1 18 . 1 1 147 147 SER H H 147 8.190 8.190 8.748 -0.558 25502 13384 1 18 . 1 1 148 148 ARG N N 148 119.789 119.789 124.780 -4.991 25502 13385 1 18 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.250 -0.083 25502 13386 1 18 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.697 2.794 25502 13387 1 18 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.451 2.211 25502 13388 1 18 . 1 1 148 148 ARG H H 148 8.795 8.795 8.837 -0.042 25502 13389 1 18 . 1 1 149 149 ASN N N 149 111.378 111.378 117.090 -5.712 25502 13390 1 18 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.681 0.153 25502 13391 1 18 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.449 -1.329 25502 13392 1 18 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.761 -1.520 25502 13393 1 18 . 1 1 149 149 ASN H H 149 7.841 7.841 8.511 -0.670 25502 13394 1 18 . 1 1 150 150 GLY N N 150 109.893 109.893 107.561 2.332 25502 13395 1 18 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.508 -0.611 25502 13396 1 18 . 1 1 150 150 GLY H H 150 8.040 8.040 7.662 0.378 25502 13397 1 18 . 1 1 151 151 LYS N N 151 119.608 119.608 122.304 -2.696 25502 13398 1 18 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.374 0.031 25502 13399 1 18 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.340 -0.296 25502 13400 1 18 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.963 -1.694 25502 13401 1 18 . 1 1 151 151 LYS H H 151 7.525 7.525 8.161 -0.636 25502 13402 1 18 . 1 1 152 152 THR N N 152 116.317 116.317 110.420 5.897 25502 13403 1 18 . 1 1 152 152 THR HA H 152 5.532 5.532 4.909 0.623 25502 13404 1 18 . 1 1 152 152 THR CA C 152 59.953 59.953 60.098 -0.145 25502 13405 1 18 . 1 1 152 152 THR CB C 152 71.108 71.108 71.457 -0.349 25502 13406 1 18 . 1 1 152 152 THR H H 152 8.823 8.823 8.264 0.559 25502 13407 1 18 . 1 1 153 153 SER N N 153 116.804 116.804 116.494 0.310 25502 13408 1 18 . 1 1 153 153 SER HA H 153 4.456 4.456 4.690 -0.234 25502 13409 1 18 . 1 1 153 153 SER CA C 153 58.712 58.712 59.730 -1.018 25502 13410 1 18 . 1 1 153 153 SER CB C 153 63.477 63.477 64.205 -0.728 25502 13411 1 18 . 1 1 153 153 SER H H 153 9.412 9.412 9.053 0.359 25502 13412 1 18 . 1 1 154 154 LYS N N 154 119.068 119.068 120.495 -1.427 25502 13413 1 18 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.364 0.168 25502 13414 1 18 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.211 -1.811 25502 13415 1 18 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.411 4.995 25502 13416 1 18 . 1 1 154 154 LYS H H 154 7.527 7.527 8.149 -0.622 25502 13417 1 18 . 1 1 155 155 LYS N N 155 121.541 121.541 121.249 0.292 25502 13418 1 18 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.630 -0.317 25502 13419 1 18 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.059 1.087 25502 13420 1 18 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.652 -0.664 25502 13421 1 18 . 1 1 155 155 LYS H H 155 8.791 8.791 8.434 0.357 25502 13422 1 18 . 1 1 156 156 ILE N N 156 133.980 133.980 129.451 4.529 25502 13423 1 18 . 1 1 156 156 ILE HA H 156 5.093 5.093 4.947 0.146 25502 13424 1 18 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.726 -1.462 25502 13425 1 18 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.831 -0.991 25502 13426 1 18 . 1 1 156 156 ILE H H 156 9.606 9.606 8.906 0.700 25502 13427 1 18 . 1 1 157 157 THR N N 157 116.977 116.977 119.745 -2.768 25502 13428 1 18 . 1 1 157 157 THR HA H 157 5.274 5.274 5.298 -0.024 25502 13429 1 18 . 1 1 157 157 THR CA C 157 59.475 59.475 59.934 -0.459 25502 13430 1 18 . 1 1 157 157 THR CB C 157 72.475 72.475 72.568 -0.093 25502 13431 1 18 . 1 1 157 157 THR H H 157 9.233 9.233 8.291 0.942 25502 13432 1 18 . 1 1 158 158 ILE N N 158 121.529 121.529 121.707 -0.178 25502 13433 1 18 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.972 -0.730 25502 13434 1 18 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.465 0.403 25502 13435 1 18 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.663 -1.873 25502 13436 1 18 . 1 1 158 158 ILE H H 158 8.580 8.580 8.554 0.026 25502 13437 1 18 . 1 1 159 159 ALA N N 159 132.313 132.313 131.870 0.443 25502 13438 1 18 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.235 -0.111 25502 13439 1 18 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.824 0.249 25502 13440 1 18 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.560 -0.547 25502 13441 1 18 . 1 1 159 159 ALA H H 159 8.873 8.873 8.912 -0.039 25502 13442 1 18 . 1 1 160 160 ASP N N 160 111.257 111.257 116.261 -5.004 25502 13443 1 18 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.653 0.237 25502 13444 1 18 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.875 -1.236 25502 13445 1 18 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.365 0.222 25502 13446 1 18 . 1 1 160 160 ASP H H 160 8.066 8.066 7.893 0.173 25502 13447 1 18 . 1 1 161 161 CYS N N 161 115.837 115.837 117.656 -1.819 25502 13448 1 18 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.023 1.521 25502 13449 1 18 . 1 1 161 161 CYS CA C 161 55.148 55.148 54.689 0.459 25502 13450 1 18 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.669 0.467 25502 13451 1 18 . 1 1 161 161 CYS H H 161 8.591 8.591 8.204 0.387 25502 13452 1 18 . 1 1 162 162 GLY N N 162 103.888 103.888 108.175 -4.287 25502 13453 1 18 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.816 0.533 25502 13454 1 18 . 1 1 162 162 GLY H H 162 6.844 6.844 6.640 0.204 25502 13455 1 18 . 1 1 163 163 GLN N N 163 120.718 120.718 120.510 0.208 25502 13456 1 18 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.583 0.486 25502 13457 1 18 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.814 -2.005 25502 13458 1 18 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.353 1.237 25502 13459 1 18 . 1 1 163 163 GLN H H 163 9.066 9.066 8.444 0.622 25502 13460 1 18 . 1 1 164 164 LEU N N 164 125.816 125.816 126.607 -0.791 25502 13461 1 18 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.426 0.181 25502 13462 1 18 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.040 -1.301 25502 13463 1 18 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.041 1.321 25502 13464 1 18 . 1 1 164 164 LEU H H 164 8.593 8.593 9.089 -0.496 25502 13465 1 19 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.377 -0.201 25502 13466 1 19 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.288 -0.796 25502 13467 1 19 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.401 -0.275 25502 13468 1 19 . 1 1 3 3 ASN N N 3 126.515 126.515 123.392 3.123 25502 13469 1 19 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.214 -0.077 25502 13470 1 19 . 1 1 3 3 ASN CA C 3 51.008 51.008 50.977 0.031 25502 13471 1 19 . 1 1 3 3 ASN CB C 3 37.799 37.799 40.489 -2.690 25502 13472 1 19 . 1 1 3 3 ASN H H 3 8.600 8.600 8.501 0.099 25502 13473 1 19 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.505 0.248 25502 13474 1 19 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.782 -0.113 25502 13475 1 19 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.590 0.548 25502 13476 1 19 . 1 1 5 5 THR N N 5 114.826 114.826 117.469 -2.643 25502 13477 1 19 . 1 1 5 5 THR HA H 5 5.716 5.716 4.969 0.747 25502 13478 1 19 . 1 1 5 5 THR CA C 5 60.698 60.698 61.249 -0.551 25502 13479 1 19 . 1 1 5 5 THR CB C 5 41.142 41.142 71.389 -30.247 25502 13480 1 19 . 1 1 5 5 THR H H 5 8.771 8.771 8.159 0.612 25502 13481 1 19 . 1 1 6 6 VAL N N 6 120.113 120.113 121.752 -1.639 25502 13482 1 19 . 1 1 6 6 VAL HA H 6 5.339 5.339 4.920 0.419 25502 13483 1 19 . 1 1 6 6 VAL CA C 6 58.797 58.797 58.485 0.312 25502 13484 1 19 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.462 0.673 25502 13485 1 19 . 1 1 6 6 VAL H H 6 8.741 8.741 8.435 0.306 25502 13486 1 19 . 1 1 7 7 PHE N N 7 118.968 118.968 115.908 3.060 25502 13487 1 19 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.194 0.701 25502 13488 1 19 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.750 -0.062 25502 13489 1 19 . 1 1 7 7 PHE CB C 7 43.043 43.043 42.474 0.569 25502 13490 1 19 . 1 1 7 7 PHE H H 7 8.954 8.954 7.497 1.457 25502 13491 1 19 . 1 1 8 8 PHE N N 8 116.774 116.774 117.375 -0.601 25502 13492 1 19 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.289 1.028 25502 13493 1 19 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.098 -3.675 25502 13494 1 19 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.291 1.579 25502 13495 1 19 . 1 1 8 8 PHE H H 8 9.540 9.540 8.135 1.405 25502 13496 1 19 . 1 1 9 9 ASP N N 9 123.959 123.959 124.771 -0.812 25502 13497 1 19 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.524 1.009 25502 13498 1 19 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.141 -0.376 25502 13499 1 19 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.432 -0.119 25502 13500 1 19 . 1 1 9 9 ASP H H 9 9.266 9.266 8.207 1.059 25502 13501 1 19 . 1 1 10 10 ILE N N 10 124.122 124.122 125.708 -1.586 25502 13502 1 19 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.467 0.705 25502 13503 1 19 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.671 -2.512 25502 13504 1 19 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.222 0.481 25502 13505 1 19 . 1 1 10 10 ILE H H 10 9.030 9.030 8.230 0.800 25502 13506 1 19 . 1 1 11 11 ALA N N 11 132.244 132.244 130.265 1.979 25502 13507 1 19 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.929 0.236 25502 13508 1 19 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.234 0.430 25502 13509 1 19 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.247 29.314 25502 13510 1 19 . 1 1 11 11 ALA H H 11 9.603 9.603 9.070 0.533 25502 13511 1 19 . 1 1 12 12 VAL N N 12 118.199 118.199 120.501 -2.302 25502 13512 1 19 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.701 -0.190 25502 13513 1 19 . 1 1 12 12 VAL CA C 12 60.426 60.426 60.615 -0.189 25502 13514 1 19 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.475 0.706 25502 13515 1 19 . 1 1 12 12 VAL H H 12 8.943 8.943 8.789 0.154 25502 13516 1 19 . 1 1 13 13 ASP N N 13 130.748 130.748 128.449 2.299 25502 13517 1 19 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.268 0.052 25502 13518 1 19 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.629 0.197 25502 13519 1 19 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.180 -0.345 25502 13520 1 19 . 1 1 13 13 ASP H H 13 9.846 9.846 8.852 0.994 25502 13521 1 19 . 1 1 14 14 GLY N N 14 101.493 101.493 104.044 -2.551 25502 13522 1 19 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.948 0.134 25502 13523 1 19 . 1 1 14 14 GLY H H 14 8.558 8.558 8.568 -0.010 25502 13524 1 19 . 1 1 15 15 GLU N N 15 123.014 123.014 123.955 -0.941 25502 13525 1 19 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.680 0.156 25502 13526 1 19 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.922 -0.169 25502 13527 1 19 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.164 0.072 25502 13528 1 19 . 1 1 15 15 GLU H H 15 8.046 8.046 7.653 0.393 25502 13529 1 19 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.567 -0.391 25502 13530 1 19 . 1 1 16 16 PRO CA C 16 64.546 64.546 63.008 1.538 25502 13531 1 19 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.432 29.679 25502 13532 1 19 . 1 1 17 17 LEU N N 17 125.784 125.784 123.829 1.955 25502 13533 1 19 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.100 0.587 25502 13534 1 19 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.671 -1.323 25502 13535 1 19 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.524 1.633 25502 13536 1 19 . 1 1 17 17 LEU H H 17 9.189 9.189 8.864 0.325 25502 13537 1 19 . 1 1 18 18 GLY N N 18 102.200 102.200 104.794 -2.594 25502 13538 1 19 . 1 1 18 18 GLY CA C 18 44.969 44.969 45.160 -0.191 25502 13539 1 19 . 1 1 18 18 GLY H H 18 7.256 7.256 7.355 -0.099 25502 13540 1 19 . 1 1 19 19 ARG N N 19 120.995 120.995 120.977 0.018 25502 13541 1 19 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.855 0.767 25502 13542 1 19 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.613 -0.598 25502 13543 1 19 . 1 1 19 19 ARG CB C 19 33.340 33.340 33.487 -0.147 25502 13544 1 19 . 1 1 19 19 ARG H H 19 8.320 8.320 8.320 -0.000 25502 13545 1 19 . 1 1 20 20 VAL N N 20 126.616 126.616 122.211 4.405 25502 13546 1 19 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.675 -0.072 25502 13547 1 19 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.663 -1.722 25502 13548 1 19 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.410 1.472 25502 13549 1 19 . 1 1 20 20 VAL H H 20 9.364 9.364 8.714 0.650 25502 13550 1 19 . 1 1 21 21 SER N N 21 120.061 120.061 120.315 -0.254 25502 13551 1 19 . 1 1 21 21 SER HA H 21 5.515 5.515 5.286 0.229 25502 13552 1 19 . 1 1 21 21 SER CA C 21 55.317 55.317 55.805 -0.488 25502 13553 1 19 . 1 1 21 21 SER CB C 21 36.773 36.773 65.821 -29.048 25502 13554 1 19 . 1 1 21 21 SER H H 21 8.768 8.768 7.876 0.892 25502 13555 1 19 . 1 1 22 22 PHE N N 22 118.878 118.878 118.572 0.306 25502 13556 1 19 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.286 -0.049 25502 13557 1 19 . 1 1 22 22 PHE CA C 22 55.688 55.688 57.300 -1.612 25502 13558 1 19 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.722 -1.148 25502 13559 1 19 . 1 1 22 22 PHE H H 22 9.508 9.508 9.302 0.206 25502 13560 1 19 . 1 1 23 23 GLU N N 23 122.926 122.926 124.070 -1.144 25502 13561 1 19 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.510 0.239 25502 13562 1 19 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.072 -0.122 25502 13563 1 19 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.098 1.531 25502 13564 1 19 . 1 1 23 23 GLU H H 23 8.740 8.740 9.023 -0.283 25502 13565 1 19 . 1 1 24 24 LEU N N 24 122.262 122.262 127.114 -4.852 25502 13566 1 19 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.517 0.180 25502 13567 1 19 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.778 -3.227 25502 13568 1 19 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.889 0.231 25502 13569 1 19 . 1 1 24 24 LEU H H 24 8.185 8.185 7.787 0.398 25502 13570 1 19 . 1 1 25 25 PHE N N 25 124.423 124.423 122.686 1.737 25502 13571 1 19 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.689 0.419 25502 13572 1 19 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.079 -2.789 25502 13573 1 19 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.725 -0.764 25502 13574 1 19 . 1 1 25 25 PHE H H 25 8.815 8.815 8.988 -0.173 25502 13575 1 19 . 1 1 26 26 ALA N N 26 128.683 128.683 125.578 3.105 25502 13576 1 19 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.263 -0.492 25502 13577 1 19 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.514 -0.229 25502 13578 1 19 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.529 0.096 25502 13579 1 19 . 1 1 26 26 ALA H H 26 8.433 8.433 7.967 0.466 25502 13580 1 19 . 1 1 27 27 ASP N N 27 114.069 114.069 116.961 -2.892 25502 13581 1 19 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.498 -0.255 25502 13582 1 19 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.366 -1.038 25502 13583 1 19 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.802 -1.947 25502 13584 1 19 . 1 1 27 27 ASP H H 27 9.052 9.052 8.273 0.779 25502 13585 1 19 . 1 1 28 28 LYS N N 28 117.763 117.763 118.175 -0.412 25502 13586 1 19 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.450 0.121 25502 13587 1 19 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.904 -0.672 25502 13588 1 19 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.791 1.131 25502 13589 1 19 . 1 1 28 28 LYS H H 28 7.545 7.545 7.892 -0.347 25502 13590 1 19 . 1 1 29 29 VAL N N 29 114.212 114.212 114.374 -0.162 25502 13591 1 19 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.663 -0.212 25502 13592 1 19 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.514 -0.425 25502 13593 1 19 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.218 0.527 25502 13594 1 19 . 1 1 29 29 VAL H H 29 8.368 8.368 8.191 0.177 25502 13595 1 19 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.338 0.057 25502 13596 1 19 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.862 0.221 25502 13597 1 19 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.096 -0.791 25502 13598 1 19 . 1 1 31 31 LYS N N 31 123.500 123.500 118.421 5.079 25502 13599 1 19 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.090 -0.083 25502 13600 1 19 . 1 1 31 31 LYS CA C 31 60.356 60.356 58.930 1.426 25502 13601 1 19 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.629 0.650 25502 13602 1 19 . 1 1 31 31 LYS H H 31 10.663 10.663 8.227 2.436 25502 13603 1 19 . 1 1 32 32 THR N N 32 123.707 123.707 113.043 10.664 25502 13604 1 19 . 1 1 32 32 THR HA H 32 3.988 3.988 3.935 0.053 25502 13605 1 19 . 1 1 32 32 THR CA C 32 37.678 37.678 65.215 -27.537 25502 13606 1 19 . 1 1 32 32 THR CB C 32 38.883 38.883 68.543 -29.660 25502 13607 1 19 . 1 1 32 32 THR H H 32 10.283 10.283 7.535 2.748 25502 13608 1 19 . 1 1 33 33 ALA N N 33 125.366 125.366 125.352 0.014 25502 13609 1 19 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.274 -0.237 25502 13610 1 19 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.486 0.382 25502 13611 1 19 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.216 0.019 25502 13612 1 19 . 1 1 33 33 ALA H H 33 9.281 9.281 8.482 0.799 25502 13613 1 19 . 1 1 34 34 GLU N N 34 117.040 117.040 117.833 -0.793 25502 13614 1 19 . 1 1 34 34 GLU HA H 34 4.509 4.509 4.015 0.494 25502 13615 1 19 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.374 -1.488 25502 13616 1 19 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.587 28.316 25502 13617 1 19 . 1 1 34 34 GLU H H 34 8.027 8.027 8.273 -0.246 25502 13618 1 19 . 1 1 35 35 ASN N N 35 115.398 115.398 118.859 -3.461 25502 13619 1 19 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.521 -0.467 25502 13620 1 19 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.597 0.034 25502 13621 1 19 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.575 0.890 25502 13622 1 19 . 1 1 35 35 ASN H H 35 7.139 7.139 7.970 -0.831 25502 13623 1 19 . 1 1 36 36 PHE N N 36 117.607 117.607 120.110 -2.503 25502 13624 1 19 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.369 -0.260 25502 13625 1 19 . 1 1 36 36 PHE CA C 36 61.391 61.391 61.176 0.215 25502 13626 1 19 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.127 0.886 25502 13627 1 19 . 1 1 36 36 PHE H H 36 7.012 7.012 7.794 -0.782 25502 13628 1 19 . 1 1 37 37 ARG N N 37 120.804 120.804 120.203 0.601 25502 13629 1 19 . 1 1 37 37 ARG HA H 37 3.632 3.632 4.053 -0.421 25502 13630 1 19 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.663 0.718 25502 13631 1 19 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.340 -0.480 25502 13632 1 19 . 1 1 37 37 ARG H H 37 8.935 8.935 8.604 0.331 25502 13633 1 19 . 1 1 38 38 ALA N N 38 118.869 118.869 122.631 -3.762 25502 13634 1 19 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.087 -0.018 25502 13635 1 19 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.070 -0.730 25502 13636 1 19 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.323 -0.088 25502 13637 1 19 . 1 1 38 38 ALA H H 38 8.687 8.687 8.285 0.402 25502 13638 1 19 . 1 1 39 39 LEU N N 39 120.488 120.488 118.405 2.083 25502 13639 1 19 . 1 1 39 39 LEU HA H 39 3.744 3.744 4.141 -0.397 25502 13640 1 19 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.063 0.052 25502 13641 1 19 . 1 1 39 39 LEU CB C 39 41.026 41.026 42.128 -1.102 25502 13642 1 19 . 1 1 39 39 LEU H H 39 8.173 8.173 7.919 0.254 25502 13643 1 19 . 1 1 40 40 SER N N 40 118.952 118.952 114.221 4.731 25502 13644 1 19 . 1 1 40 40 SER HA H 40 4.444 4.444 3.886 0.558 25502 13645 1 19 . 1 1 40 40 SER CA C 40 62.334 62.334 61.877 0.457 25502 13646 1 19 . 1 1 40 40 SER CB C 40 62.884 62.884 63.058 -0.174 25502 13647 1 19 . 1 1 40 40 SER H H 40 7.900 7.900 8.132 -0.232 25502 13648 1 19 . 1 1 41 41 THR N N 41 108.208 108.208 111.738 -3.530 25502 13649 1 19 . 1 1 41 41 THR HA H 41 4.288 4.288 4.089 0.199 25502 13650 1 19 . 1 1 41 41 THR CA C 41 62.810 62.810 64.512 -1.702 25502 13651 1 19 . 1 1 41 41 THR CB C 41 69.221 69.221 69.500 -0.279 25502 13652 1 19 . 1 1 41 41 THR H H 41 7.974 7.974 8.308 -0.334 25502 13653 1 19 . 1 1 42 42 GLY N N 42 108.122 108.122 109.325 -1.203 25502 13654 1 19 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.259 0.498 25502 13655 1 19 . 1 1 42 42 GLY H H 42 7.582 7.582 7.849 -0.267 25502 13656 1 19 . 1 1 43 43 GLU N N 43 118.454 118.454 122.724 -4.270 25502 13657 1 19 . 1 1 43 43 GLU HA H 43 4.120 4.120 4.002 0.118 25502 13658 1 19 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.753 -0.396 25502 13659 1 19 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.121 0.821 25502 13660 1 19 . 1 1 43 43 GLU H H 43 8.009 8.009 7.763 0.246 25502 13661 1 19 . 1 1 44 44 LYS N N 44 118.055 118.055 119.222 -1.167 25502 13662 1 19 . 1 1 44 44 LYS HA H 44 4.281 4.281 4.100 0.181 25502 13663 1 19 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.001 -2.881 25502 13664 1 19 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.685 -2.389 25502 13665 1 19 . 1 1 44 44 LYS H H 44 9.102 9.102 7.874 1.228 25502 13666 1 19 . 1 1 45 45 GLY N N 45 105.305 105.305 105.411 -0.106 25502 13667 1 19 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.115 -0.584 25502 13668 1 19 . 1 1 45 45 GLY H H 45 7.939 7.939 8.222 -0.283 25502 13669 1 19 . 1 1 46 46 PHE N N 46 113.461 113.461 116.588 -3.127 25502 13670 1 19 . 1 1 46 46 PHE HA H 46 4.624 4.624 5.134 -0.510 25502 13671 1 19 . 1 1 46 46 PHE CA C 46 53.881 53.881 55.324 -1.443 25502 13672 1 19 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.871 -0.403 25502 13673 1 19 . 1 1 46 46 PHE H H 46 6.413 6.413 7.438 -1.025 25502 13674 1 19 . 1 1 47 47 GLY N N 47 104.416 104.416 105.622 -1.206 25502 13675 1 19 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.219 0.239 25502 13676 1 19 . 1 1 47 47 GLY H H 47 7.686 7.686 8.334 -0.648 25502 13677 1 19 . 1 1 48 48 TYR N N 48 113.530 113.530 115.604 -2.074 25502 13678 1 19 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.422 -0.214 25502 13679 1 19 . 1 1 48 48 TYR CA C 48 57.039 57.039 55.410 1.629 25502 13680 1 19 . 1 1 48 48 TYR CB C 48 38.419 38.419 37.561 0.858 25502 13681 1 19 . 1 1 48 48 TYR H H 48 6.887 6.887 7.704 -0.817 25502 13682 1 19 . 1 1 49 49 LYS N N 49 124.631 124.631 122.173 2.458 25502 13683 1 19 . 1 1 49 49 LYS HA H 49 3.595 3.595 3.646 -0.051 25502 13684 1 19 . 1 1 49 49 LYS CA C 49 60.882 60.882 57.778 3.104 25502 13685 1 19 . 1 1 49 49 LYS CB C 49 31.168 31.168 32.104 -0.936 25502 13686 1 19 . 1 1 49 49 LYS H H 49 8.474 8.474 7.393 1.081 25502 13687 1 19 . 1 1 50 50 GLY N N 50 117.591 117.591 114.156 3.435 25502 13688 1 19 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.386 -0.345 25502 13689 1 19 . 1 1 50 50 GLY H H 50 9.482 9.482 8.618 0.864 25502 13690 1 19 . 1 1 51 51 SER N N 51 116.156 116.156 114.070 2.086 25502 13691 1 19 . 1 1 51 51 SER HA H 51 4.658 4.658 4.492 0.166 25502 13692 1 19 . 1 1 51 51 SER CA C 51 58.682 58.682 57.845 0.837 25502 13693 1 19 . 1 1 51 51 SER CB C 51 64.607 64.607 64.895 -0.288 25502 13694 1 19 . 1 1 51 51 SER H H 51 8.397 8.397 7.669 0.728 25502 13695 1 19 . 1 1 52 52 CYS N N 52 114.800 114.800 117.907 -3.107 25502 13696 1 19 . 1 1 52 52 CYS HA H 52 5.895 5.895 5.250 0.645 25502 13697 1 19 . 1 1 52 52 CYS CA C 52 55.965 55.965 56.300 -0.335 25502 13698 1 19 . 1 1 52 52 CYS CB C 52 31.719 31.719 30.053 1.666 25502 13699 1 19 . 1 1 52 52 CYS H H 52 9.858 9.858 8.398 1.460 25502 13700 1 19 . 1 1 53 53 PHE N N 53 122.839 122.839 123.636 -0.797 25502 13701 1 19 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.709 0.144 25502 13702 1 19 . 1 1 53 53 PHE CA C 53 58.083 58.083 58.021 0.062 25502 13703 1 19 . 1 1 53 53 PHE CB C 53 38.728 38.728 39.174 -0.446 25502 13704 1 19 . 1 1 53 53 PHE H H 53 8.702 8.702 8.661 0.041 25502 13705 1 19 . 1 1 54 54 HIS N N 54 119.944 119.944 122.900 -2.956 25502 13706 1 19 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.845 -0.139 25502 13707 1 19 . 1 1 54 54 HIS CA C 54 56.985 56.985 54.972 2.013 25502 13708 1 19 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.674 0.670 25502 13709 1 19 . 1 1 54 54 HIS H H 54 7.623 7.623 8.714 -1.091 25502 13710 1 19 . 1 1 55 55 ARG N N 55 122.758 122.758 120.720 2.038 25502 13711 1 19 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.758 0.341 25502 13712 1 19 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.507 -1.804 25502 13713 1 19 . 1 1 55 55 ARG CB C 55 33.771 33.771 30.962 2.809 25502 13714 1 19 . 1 1 55 55 ARG H H 55 7.031 7.031 8.225 -1.194 25502 13715 1 19 . 1 1 56 56 ILE N N 56 126.170 126.170 125.237 0.933 25502 13716 1 19 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.453 0.136 25502 13717 1 19 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.905 0.546 25502 13718 1 19 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.489 0.144 25502 13719 1 19 . 1 1 56 56 ILE H H 56 9.166 9.166 8.854 0.312 25502 13720 1 19 . 1 1 57 57 ILE N N 57 127.731 127.731 126.758 0.973 25502 13721 1 19 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.909 0.288 25502 13722 1 19 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.645 -0.031 25502 13723 1 19 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.476 0.539 25502 13724 1 19 . 1 1 57 57 ILE H H 57 8.718 8.718 8.393 0.325 25502 13725 1 19 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.546 -0.222 25502 13726 1 19 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.022 -0.073 25502 13727 1 19 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.002 1.909 25502 13728 1 19 . 1 1 59 59 GLY N N 59 113.877 113.877 108.667 5.210 25502 13729 1 19 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.778 -0.600 25502 13730 1 19 . 1 1 59 59 GLY H H 59 9.679 9.679 8.297 1.382 25502 13731 1 19 . 1 1 60 60 PHE N N 60 118.955 118.955 121.375 -2.420 25502 13732 1 19 . 1 1 60 60 PHE HA H 60 5.093 5.093 5.087 0.006 25502 13733 1 19 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.414 -1.669 25502 13734 1 19 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.380 -2.687 25502 13735 1 19 . 1 1 60 60 PHE H H 60 8.095 8.095 7.962 0.133 25502 13736 1 19 . 1 1 61 61 MET N N 61 110.963 110.963 111.350 -0.387 25502 13737 1 19 . 1 1 61 61 MET HA H 61 5.311 5.311 4.865 0.446 25502 13738 1 19 . 1 1 61 61 MET CA C 61 54.802 54.802 55.349 -0.547 25502 13739 1 19 . 1 1 61 61 MET CB C 61 34.892 34.892 33.840 1.052 25502 13740 1 19 . 1 1 61 61 MET H H 61 8.088 8.088 7.889 0.199 25502 13741 1 19 . 1 1 62 62 CYS N N 62 114.627 114.627 119.321 -4.694 25502 13742 1 19 . 1 1 62 62 CYS HA H 62 4.873 4.873 5.042 -0.169 25502 13743 1 19 . 1 1 62 62 CYS CA C 62 57.335 57.335 56.451 0.884 25502 13744 1 19 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.067 29.993 25502 13745 1 19 . 1 1 62 62 CYS H H 62 8.474 8.474 8.310 0.164 25502 13746 1 19 . 1 1 63 63 GLN N N 63 126.463 126.463 118.901 7.562 25502 13747 1 19 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.803 0.573 25502 13748 1 19 . 1 1 63 63 GLN CA C 63 54.524 54.524 54.804 -0.280 25502 13749 1 19 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.632 -2.232 25502 13750 1 19 . 1 1 63 63 GLN H H 63 9.651 9.651 8.337 1.314 25502 13751 1 19 . 1 1 64 64 GLY N N 64 110.531 110.531 110.343 0.188 25502 13752 1 19 . 1 1 64 64 GLY CA C 64 44.400 44.400 46.481 -2.081 25502 13753 1 19 . 1 1 64 64 GLY H H 64 7.352 7.352 8.695 -1.343 25502 13754 1 19 . 1 1 65 65 GLY N N 65 105.572 105.572 108.291 -2.719 25502 13755 1 19 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.231 2.193 25502 13756 1 19 . 1 1 65 65 GLY H H 65 9.292 9.292 7.356 1.936 25502 13757 1 19 . 1 1 66 66 ASP N N 66 123.656 123.656 121.424 2.232 25502 13758 1 19 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.675 -0.385 25502 13759 1 19 . 1 1 66 66 ASP CA C 66 51.505 51.505 54.873 -3.368 25502 13760 1 19 . 1 1 66 66 ASP CB C 66 38.702 38.702 41.826 -3.124 25502 13761 1 19 . 1 1 66 66 ASP H H 66 9.910 9.910 8.601 1.309 25502 13762 1 19 . 1 1 67 67 PHE N N 67 115.914 115.914 117.901 -1.987 25502 13763 1 19 . 1 1 67 67 PHE HA H 67 4.597 4.597 5.020 -0.423 25502 13764 1 19 . 1 1 67 67 PHE CA C 67 55.784 55.784 56.966 -1.182 25502 13765 1 19 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.706 -0.349 25502 13766 1 19 . 1 1 67 67 PHE H H 67 6.624 6.624 8.014 -1.390 25502 13767 1 19 . 1 1 68 68 THR N N 68 108.853 108.853 116.414 -7.561 25502 13768 1 19 . 1 1 68 68 THR HA H 68 4.638 4.638 3.994 0.644 25502 13769 1 19 . 1 1 68 68 THR CA C 68 61.621 61.621 63.602 -1.981 25502 13770 1 19 . 1 1 68 68 THR CB C 68 68.789 68.789 69.031 -0.242 25502 13771 1 19 . 1 1 68 68 THR H H 68 7.320 7.320 8.147 -0.827 25502 13772 1 19 . 1 1 69 69 ARG N N 69 121.780 121.780 119.932 1.848 25502 13773 1 19 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.252 0.110 25502 13774 1 19 . 1 1 69 69 ARG CA C 69 55.028 55.028 55.411 -0.383 25502 13775 1 19 . 1 1 69 69 ARG CB C 69 61.533 61.533 32.186 29.347 25502 13776 1 19 . 1 1 69 69 ARG H H 69 8.655 8.655 7.834 0.821 25502 13777 1 19 . 1 1 70 70 HIS N N 70 112.009 112.009 119.285 -7.276 25502 13778 1 19 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.397 0.001 25502 13779 1 19 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.402 0.733 25502 13780 1 19 . 1 1 70 70 HIS CB C 70 58.434 58.434 27.653 30.781 25502 13781 1 19 . 1 1 70 70 HIS H H 70 6.838 6.838 8.458 -1.620 25502 13782 1 19 . 1 1 71 71 ASN N N 71 112.340 112.340 116.954 -4.614 25502 13783 1 19 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.585 0.010 25502 13784 1 19 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.273 -1.113 25502 13785 1 19 . 1 1 71 71 ASN CB C 71 38.707 38.707 38.668 0.039 25502 13786 1 19 . 1 1 71 71 ASN H H 71 7.519 7.519 8.575 -1.056 25502 13787 1 19 . 1 1 72 72 GLY N N 72 110.239 110.239 103.783 6.456 25502 13788 1 19 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.451 -0.878 25502 13789 1 19 . 1 1 72 72 GLY H H 72 9.619 9.619 8.545 1.074 25502 13790 1 19 . 1 1 73 73 THR N N 73 111.802 111.802 112.058 -0.256 25502 13791 1 19 . 1 1 73 73 THR HA H 73 4.487 4.487 4.000 0.487 25502 13792 1 19 . 1 1 73 73 THR CA C 73 62.070 62.070 62.567 -0.497 25502 13793 1 19 . 1 1 73 73 THR CB C 73 40.762 40.762 67.243 -26.481 25502 13794 1 19 . 1 1 73 73 THR H H 73 7.930 7.930 7.834 0.096 25502 13795 1 19 . 1 1 74 74 GLY N N 74 113.668 113.668 107.392 6.276 25502 13796 1 19 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.111 0.797 25502 13797 1 19 . 1 1 74 74 GLY H H 74 8.669 8.669 7.509 1.160 25502 13798 1 19 . 1 1 75 75 GLY N N 75 108.813 108.813 107.724 1.089 25502 13799 1 19 . 1 1 75 75 GLY CA C 75 43.037 43.037 43.967 -0.930 25502 13800 1 19 . 1 1 75 75 GLY H H 75 8.066 8.066 8.125 -0.059 25502 13801 1 19 . 1 1 76 76 LYS N N 76 115.526 115.526 123.453 -7.927 25502 13802 1 19 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.362 0.223 25502 13803 1 19 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.178 0.529 25502 13804 1 19 . 1 1 76 76 LYS CB C 76 34.515 34.515 34.230 0.285 25502 13805 1 19 . 1 1 76 76 LYS H H 76 6.981 6.981 8.065 -1.084 25502 13806 1 19 . 1 1 77 77 SER N N 77 114.105 114.105 115.040 -0.935 25502 13807 1 19 . 1 1 77 77 SER HA H 77 5.185 5.185 4.555 0.630 25502 13808 1 19 . 1 1 77 77 SER CA C 77 56.816 56.816 59.153 -2.337 25502 13809 1 19 . 1 1 77 77 SER CB C 77 38.963 38.963 63.515 -24.552 25502 13810 1 19 . 1 1 78 78 ILE N N 78 110.963 110.963 116.399 -5.436 25502 13811 1 19 . 1 1 78 78 ILE HA H 78 4.170 4.170 4.308 -0.138 25502 13812 1 19 . 1 1 78 78 ILE CA C 78 63.517 63.517 61.739 1.778 25502 13813 1 19 . 1 1 78 78 ILE CB C 78 37.308 37.308 37.881 -0.573 25502 13814 1 19 . 1 1 78 78 ILE H H 78 8.557 8.557 8.861 -0.304 25502 13815 1 19 . 1 1 79 79 TYR N N 79 120.472 120.472 119.221 1.251 25502 13816 1 19 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.732 -0.065 25502 13817 1 19 . 1 1 79 79 TYR CA C 79 56.147 56.147 56.909 -0.762 25502 13818 1 19 . 1 1 79 79 TYR CB C 79 38.725 38.725 38.710 0.015 25502 13819 1 19 . 1 1 79 79 TYR H H 79 8.007 8.007 7.840 0.167 25502 13820 1 19 . 1 1 80 80 GLY N N 80 106.402 106.402 108.380 -1.978 25502 13821 1 19 . 1 1 80 80 GLY CA C 80 43.748 43.748 44.959 -1.211 25502 13822 1 19 . 1 1 80 80 GLY H H 80 7.115 7.115 7.762 -0.647 25502 13823 1 19 . 1 1 81 81 GLU N N 81 122.838 122.838 122.524 0.314 25502 13824 1 19 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.229 -0.283 25502 13825 1 19 . 1 1 81 81 GLU CA C 81 60.138 60.138 57.617 2.521 25502 13826 1 19 . 1 1 81 81 GLU CB C 81 30.108 30.108 30.125 -0.017 25502 13827 1 19 . 1 1 81 81 GLU H H 81 8.878 8.878 8.661 0.217 25502 13828 1 19 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.878 1.647 25502 13829 1 19 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.449 -1.673 25502 13830 1 19 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.711 2.600 25502 13831 1 19 . 1 1 82 82 LYS H H 82 7.799 7.799 7.673 0.126 25502 13832 1 19 . 1 1 83 83 PHE N N 83 116.432 116.432 114.743 1.689 25502 13833 1 19 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.872 0.073 25502 13834 1 19 . 1 1 83 83 PHE CA C 83 55.737 55.737 54.724 1.013 25502 13835 1 19 . 1 1 83 83 PHE CB C 83 41.294 41.294 41.307 -0.014 25502 13836 1 19 . 1 1 83 83 PHE H H 83 9.147 9.147 7.911 1.236 25502 13837 1 19 . 1 1 84 84 GLU N N 84 119.352 119.352 119.447 -0.095 25502 13838 1 19 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.367 -0.565 25502 13839 1 19 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.547 0.650 25502 13840 1 19 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.412 -1.307 25502 13841 1 19 . 1 1 84 84 GLU H H 84 9.252 9.252 8.402 0.850 25502 13842 1 19 . 1 1 85 85 ASP N N 85 118.583 118.583 120.506 -1.923 25502 13843 1 19 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.613 -0.387 25502 13844 1 19 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.220 -1.246 25502 13845 1 19 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.669 -0.884 25502 13846 1 19 . 1 1 85 85 ASP H H 85 8.593 8.593 8.527 0.066 25502 13847 1 19 . 1 1 86 86 GLU N N 86 131.488 131.488 124.361 7.127 25502 13848 1 19 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.118 -0.323 25502 13849 1 19 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.513 2.760 25502 13850 1 19 . 1 1 86 86 GLU CB C 86 31.639 31.639 31.171 0.469 25502 13851 1 19 . 1 1 86 86 GLU H H 86 9.461 9.461 8.867 0.594 25502 13852 1 19 . 1 1 87 87 ASN N N 87 106.549 106.549 113.795 -7.246 25502 13853 1 19 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.945 0.185 25502 13854 1 19 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.736 0.853 25502 13855 1 19 . 1 1 87 87 ASN CB C 87 39.349 39.349 40.255 -0.906 25502 13856 1 19 . 1 1 87 87 ASN H H 87 7.044 7.044 7.764 -0.720 25502 13857 1 19 . 1 1 88 88 PHE N N 88 112.731 112.731 116.575 -3.844 25502 13858 1 19 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.878 1.049 25502 13859 1 19 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.649 -0.961 25502 13860 1 19 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.861 -0.041 25502 13861 1 19 . 1 1 88 88 PHE H H 88 8.319 8.319 7.931 0.388 25502 13862 1 19 . 1 1 89 89 ILE N N 89 119.556 119.556 120.897 -1.341 25502 13863 1 19 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.825 -0.173 25502 13864 1 19 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.875 1.012 25502 13865 1 19 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.589 1.350 25502 13866 1 19 . 1 1 89 89 ILE H H 89 8.302 8.302 7.892 0.410 25502 13867 1 19 . 1 1 90 90 LEU N N 90 116.951 116.951 120.967 -4.016 25502 13868 1 19 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.367 0.089 25502 13869 1 19 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.393 0.792 25502 13870 1 19 . 1 1 90 90 LEU CB C 90 41.910 41.910 41.166 0.744 25502 13871 1 19 . 1 1 90 90 LEU H H 90 7.746 7.746 7.768 -0.022 25502 13872 1 19 . 1 1 91 91 LYS N N 91 118.722 118.722 122.484 -3.762 25502 13873 1 19 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.163 0.465 25502 13874 1 19 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.685 -1.370 25502 13875 1 19 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.603 0.947 25502 13876 1 19 . 1 1 91 91 LYS H H 91 8.057 8.057 8.255 -0.198 25502 13877 1 19 . 1 1 92 92 HIS N N 92 122.221 122.221 122.263 -0.042 25502 13878 1 19 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.349 -0.007 25502 13879 1 19 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.915 -0.159 25502 13880 1 19 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.751 -1.856 25502 13881 1 19 . 1 1 92 92 HIS H H 92 10.706 10.706 8.375 2.331 25502 13882 1 19 . 1 1 93 93 THR N N 93 110.178 110.178 116.550 -6.372 25502 13883 1 19 . 1 1 93 93 THR HA H 93 4.004 4.004 4.246 -0.242 25502 13884 1 19 . 1 1 93 93 THR CA C 93 63.018 63.018 62.657 0.361 25502 13885 1 19 . 1 1 93 93 THR CB C 93 69.341 69.341 70.212 -0.871 25502 13886 1 19 . 1 1 93 93 THR H H 93 7.261 7.261 7.773 -0.512 25502 13887 1 19 . 1 1 94 94 GLY N N 94 106.990 106.990 108.445 -1.455 25502 13888 1 19 . 1 1 94 94 GLY CA C 94 45.454 45.454 43.272 2.182 25502 13889 1 19 . 1 1 94 94 GLY H H 94 7.489 7.489 7.801 -0.312 25502 13890 1 19 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.282 -0.478 25502 13891 1 19 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.815 -0.276 25502 13892 1 19 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.652 29.300 25502 13893 1 19 . 1 1 96 96 GLY N N 96 109.908 109.908 106.956 2.952 25502 13894 1 19 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.688 -0.859 25502 13895 1 19 . 1 1 96 96 GLY H H 96 9.271 9.271 8.814 0.457 25502 13896 1 19 . 1 1 97 97 ILE N N 97 121.176 121.176 120.532 0.644 25502 13897 1 19 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.428 -0.313 25502 13898 1 19 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.687 -0.376 25502 13899 1 19 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.509 -0.751 25502 13900 1 19 . 1 1 97 97 ILE H H 97 6.765 6.765 7.362 -0.597 25502 13901 1 19 . 1 1 98 98 LEU N N 98 128.477 128.477 127.139 1.338 25502 13902 1 19 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.767 0.231 25502 13903 1 19 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.892 -0.659 25502 13904 1 19 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.856 -1.231 25502 13905 1 19 . 1 1 98 98 LEU H H 98 7.872 7.872 8.635 -0.763 25502 13906 1 19 . 1 1 99 99 SER N N 99 118.325 118.325 116.790 1.535 25502 13907 1 19 . 1 1 99 99 SER HA H 99 5.316 5.316 5.091 0.225 25502 13908 1 19 . 1 1 99 99 SER CA C 99 54.909 54.909 56.965 -2.057 25502 13909 1 19 . 1 1 99 99 SER CB C 99 65.380 65.380 66.441 -1.061 25502 13910 1 19 . 1 1 99 99 SER H H 99 8.285 8.285 8.642 -0.357 25502 13911 1 19 . 1 1 100 100 MET N N 100 122.826 122.826 122.585 0.241 25502 13912 1 19 . 1 1 100 100 MET HA H 100 5.259 5.259 4.295 0.964 25502 13913 1 19 . 1 1 100 100 MET CA C 100 53.800 53.800 55.131 -1.331 25502 13914 1 19 . 1 1 100 100 MET CB C 100 30.960 30.960 31.247 -0.287 25502 13915 1 19 . 1 1 100 100 MET H H 100 8.544 8.544 8.567 -0.023 25502 13916 1 19 . 1 1 101 101 ALA N N 101 125.971 125.971 125.127 0.844 25502 13917 1 19 . 1 1 101 101 ALA HA H 101 4.276 4.276 3.020 1.256 25502 13918 1 19 . 1 1 101 101 ALA CA C 101 51.498 51.498 52.919 -1.421 25502 13919 1 19 . 1 1 101 101 ALA CB C 101 19.403 19.403 18.923 0.480 25502 13920 1 19 . 1 1 101 101 ALA H H 101 7.999 7.999 7.543 0.456 25502 13921 1 19 . 1 1 102 102 ASN N N 102 113.207 113.207 117.893 -4.686 25502 13922 1 19 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.570 0.006 25502 13923 1 19 . 1 1 102 102 ASN CA C 102 53.841 53.841 52.540 1.301 25502 13924 1 19 . 1 1 102 102 ASN CB C 102 40.379 40.379 38.951 1.428 25502 13925 1 19 . 1 1 102 102 ASN H H 102 8.097 8.097 7.439 0.658 25502 13926 1 19 . 1 1 103 103 ALA N N 103 123.056 123.056 121.588 1.468 25502 13927 1 19 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.438 0.347 25502 13928 1 19 . 1 1 103 103 ALA CA C 103 50.154 50.154 53.260 -3.106 25502 13929 1 19 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.295 -0.266 25502 13930 1 19 . 1 1 103 103 ALA H H 103 8.787 8.787 8.582 0.205 25502 13931 1 19 . 1 1 104 104 GLY N N 104 108.942 108.942 106.762 2.180 25502 13932 1 19 . 1 1 104 104 GLY CA C 104 43.409 43.409 44.956 -1.547 25502 13933 1 19 . 1 1 104 104 GLY H H 104 8.111 8.111 8.428 -0.317 25502 13934 1 19 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.435 -0.108 25502 13935 1 19 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.218 0.665 25502 13936 1 19 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.009 1.893 25502 13937 1 19 . 1 1 106 106 ASN N N 106 118.866 118.866 121.337 -2.471 25502 13938 1 19 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.467 -0.470 25502 13939 1 19 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.456 -0.353 25502 13940 1 19 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.277 -0.285 25502 13941 1 19 . 1 1 106 106 ASN H H 106 8.866 8.866 8.193 0.673 25502 13942 1 19 . 1 1 107 107 THR N N 107 109.971 109.971 107.438 2.533 25502 13943 1 19 . 1 1 107 107 THR HA H 107 4.434 4.434 3.891 0.543 25502 13944 1 19 . 1 1 107 107 THR CA C 107 60.040 60.040 63.551 -3.511 25502 13945 1 19 . 1 1 107 107 THR CB C 107 39.196 39.196 67.779 -28.583 25502 13946 1 19 . 1 1 107 107 THR H H 107 10.165 10.165 8.494 1.671 25502 13947 1 19 . 1 1 108 108 ASN N N 108 120.251 120.251 118.718 1.533 25502 13948 1 19 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.325 -0.110 25502 13949 1 19 . 1 1 108 108 ASN CA C 108 55.448 55.448 56.234 -0.786 25502 13950 1 19 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.749 0.851 25502 13951 1 19 . 1 1 108 108 ASN H H 108 7.349 7.349 7.978 -0.629 25502 13952 1 19 . 1 1 109 109 GLY N N 109 110.632 110.632 106.407 4.225 25502 13953 1 19 . 1 1 109 109 GLY CA C 109 46.039 46.039 46.100 -0.061 25502 13954 1 19 . 1 1 109 109 GLY H H 109 9.188 9.188 8.507 0.681 25502 13955 1 19 . 1 1 110 110 SER N N 110 116.806 116.806 115.523 1.283 25502 13956 1 19 . 1 1 110 110 SER HA H 110 4.698 4.698 4.217 0.481 25502 13957 1 19 . 1 1 110 110 SER CA C 110 57.454 57.454 59.329 -1.875 25502 13958 1 19 . 1 1 110 110 SER CB C 110 65.964 65.964 61.768 4.196 25502 13959 1 19 . 1 1 110 110 SER H H 110 8.738 8.738 8.564 0.174 25502 13960 1 19 . 1 1 111 111 GLN N N 111 124.263 124.263 118.324 5.939 25502 13961 1 19 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.333 0.835 25502 13962 1 19 . 1 1 111 111 GLN CA C 111 57.494 57.494 55.996 1.498 25502 13963 1 19 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.972 1.660 25502 13964 1 19 . 1 1 111 111 GLN H H 111 8.388 8.388 7.595 0.793 25502 13965 1 19 . 1 1 112 112 PHE N N 112 117.560 117.560 117.785 -0.225 25502 13966 1 19 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.036 1.678 25502 13967 1 19 . 1 1 112 112 PHE CA C 112 55.447 55.447 58.408 -2.962 25502 13968 1 19 . 1 1 112 112 PHE CB C 112 43.000 43.000 38.681 4.319 25502 13969 1 19 . 1 1 112 112 PHE H H 112 8.058 8.058 7.514 0.544 25502 13970 1 19 . 1 1 113 113 PHE N N 113 116.199 116.199 120.821 -4.622 25502 13971 1 19 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.157 1.513 25502 13972 1 19 . 1 1 113 113 PHE CA C 113 54.437 54.437 53.981 0.456 25502 13973 1 19 . 1 1 113 113 PHE CB C 113 42.617 42.617 38.038 4.579 25502 13974 1 19 . 1 1 113 113 PHE H H 113 9.795 9.795 8.163 1.632 25502 13975 1 19 . 1 1 114 114 ILE N N 114 118.391 118.391 122.391 -4.000 25502 13976 1 19 . 1 1 114 114 ILE HA H 114 4.794 4.794 3.709 1.085 25502 13977 1 19 . 1 1 114 114 ILE CA C 114 60.060 60.060 63.022 -2.962 25502 13978 1 19 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.038 2.124 25502 13979 1 19 . 1 1 114 114 ILE H H 114 9.098 9.098 7.067 2.031 25502 13980 1 19 . 1 1 115 115 CYS N N 115 125.271 125.271 128.867 -3.596 25502 13981 1 19 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.507 0.245 25502 13982 1 19 . 1 1 115 115 CYS CA C 115 60.672 60.672 56.650 4.022 25502 13983 1 19 . 1 1 115 115 CYS CB C 115 58.569 58.569 26.889 31.680 25502 13984 1 19 . 1 1 115 115 CYS H H 115 9.597 9.597 8.303 1.294 25502 13985 1 19 . 1 1 116 116 THR N N 116 115.478 115.478 115.900 -0.422 25502 13986 1 19 . 1 1 116 116 THR HA H 116 4.324 4.324 4.297 0.027 25502 13987 1 19 . 1 1 116 116 THR CA C 116 60.720 60.720 61.067 -0.347 25502 13988 1 19 . 1 1 116 116 THR CB C 116 66.502 66.502 68.344 -1.842 25502 13989 1 19 . 1 1 116 116 THR H H 116 8.947 8.947 8.075 0.872 25502 13990 1 19 . 1 1 117 117 ALA N N 117 121.996 121.996 122.031 -0.035 25502 13991 1 19 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.345 0.013 25502 13992 1 19 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.791 -1.280 25502 13993 1 19 . 1 1 117 117 ALA CB C 117 22.608 22.608 20.726 1.882 25502 13994 1 19 . 1 1 117 117 ALA H H 117 7.602 7.602 7.192 0.410 25502 13995 1 19 . 1 1 118 118 LYS N N 118 119.550 119.550 122.343 -2.793 25502 13996 1 19 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.954 -0.175 25502 13997 1 19 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.383 0.281 25502 13998 1 19 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.592 0.907 25502 13999 1 19 . 1 1 118 118 LYS H H 118 8.690 8.690 8.367 0.323 25502 14000 1 19 . 1 1 119 119 THR N N 119 118.759 118.759 118.119 0.640 25502 14001 1 19 . 1 1 119 119 THR HA H 119 3.623 3.623 1.997 1.626 25502 14002 1 19 . 1 1 119 119 THR CA C 119 57.088 57.088 58.656 -1.568 25502 14003 1 19 . 1 1 119 119 THR H H 119 7.328 7.328 7.912 -0.584 25502 14004 1 19 . 1 1 120 120 GLU N N 120 124.407 124.407 121.989 2.418 25502 14005 1 19 . 1 1 120 120 GLU HA H 120 4.120 4.120 4.052 0.068 25502 14006 1 19 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.079 0.993 25502 14007 1 19 . 1 1 120 120 GLU H H 120 9.092 9.092 7.194 1.898 25502 14008 1 19 . 1 1 121 121 TRP N N 121 117.495 117.495 119.211 -1.716 25502 14009 1 19 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.414 0.239 25502 14010 1 19 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.261 1.200 25502 14011 1 19 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.233 -1.483 25502 14012 1 19 . 1 1 121 121 TRP H H 121 7.251 7.251 7.486 -0.235 25502 14013 1 19 . 1 1 122 122 LEU N N 122 119.528 119.528 119.440 0.088 25502 14014 1 19 . 1 1 122 122 LEU HA H 122 4.251 4.251 3.968 0.283 25502 14015 1 19 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.470 -1.970 25502 14016 1 19 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.406 -2.507 25502 14017 1 19 . 1 1 122 122 LEU H H 122 7.019 7.019 6.742 0.277 25502 14018 1 19 . 1 1 123 123 ASP N N 123 121.832 121.832 117.130 4.702 25502 14019 1 19 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.304 0.861 25502 14020 1 19 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.175 0.681 25502 14021 1 19 . 1 1 123 123 ASP CB C 123 39.372 39.372 39.997 -0.625 25502 14022 1 19 . 1 1 123 123 ASP H H 123 7.607 7.607 7.839 -0.232 25502 14023 1 19 . 1 1 124 124 GLY N N 124 110.836 110.836 106.333 4.503 25502 14024 1 19 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.803 -0.780 25502 14025 1 19 . 1 1 124 124 GLY H H 124 9.522 9.522 8.644 0.878 25502 14026 1 19 . 1 1 125 125 LYS N N 125 115.016 115.016 117.794 -2.778 25502 14027 1 19 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.192 -0.083 25502 14028 1 19 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.881 -0.633 25502 14029 1 19 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.493 2.896 25502 14030 1 19 . 1 1 125 125 LYS H H 125 7.727 7.727 8.335 -0.608 25502 14031 1 19 . 1 1 126 126 HIS N N 126 119.223 119.223 115.369 3.854 25502 14032 1 19 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.907 -0.108 25502 14033 1 19 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.545 0.014 25502 14034 1 19 . 1 1 126 126 HIS H H 126 7.571 7.571 7.599 -0.028 25502 14035 1 19 . 1 1 127 127 VAL N N 127 124.730 124.730 121.454 3.276 25502 14036 1 19 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.383 -0.125 25502 14037 1 19 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.378 2.269 25502 14038 1 19 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.198 0.218 25502 14039 1 19 . 1 1 127 127 VAL H H 127 8.474 8.474 8.752 -0.278 25502 14040 1 19 . 1 1 128 128 VAL N N 128 132.814 132.814 128.157 4.657 25502 14041 1 19 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.311 -0.161 25502 14042 1 19 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.300 -0.931 25502 14043 1 19 . 1 1 128 128 VAL H H 128 9.470 9.470 8.848 0.622 25502 14044 1 19 . 1 1 129 129 PHE N N 129 117.478 117.478 121.646 -4.168 25502 14045 1 19 . 1 1 129 129 PHE HA H 129 5.253 5.253 5.002 0.251 25502 14046 1 19 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.532 -0.625 25502 14047 1 19 . 1 1 129 129 PHE CB C 129 42.456 42.456 40.311 2.145 25502 14048 1 19 . 1 1 129 129 PHE H H 129 8.086 8.086 8.188 -0.102 25502 14049 1 19 . 1 1 130 130 GLY N N 130 110.497 110.497 107.913 2.584 25502 14050 1 19 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.328 1.066 25502 14051 1 19 . 1 1 130 130 GLY H H 130 7.297 7.297 7.413 -0.116 25502 14052 1 19 . 1 1 131 131 LYS N N 131 115.059 115.059 117.884 -2.825 25502 14053 1 19 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.820 0.387 25502 14054 1 19 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.999 -1.204 25502 14055 1 19 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.666 0.186 25502 14056 1 19 . 1 1 131 131 LYS H H 131 8.353 8.353 8.430 -0.077 25502 14057 1 19 . 1 1 132 132 VAL N N 132 123.802 123.802 126.515 -2.713 25502 14058 1 19 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.822 0.066 25502 14059 1 19 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.718 -0.771 25502 14060 1 19 . 1 1 132 132 VAL CB C 132 32.547 32.547 31.084 1.463 25502 14061 1 19 . 1 1 132 132 VAL H H 132 9.015 9.015 8.815 0.200 25502 14062 1 19 . 1 1 133 133 LYS N N 133 131.324 131.324 127.811 3.513 25502 14063 1 19 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.130 0.294 25502 14064 1 19 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.339 -0.680 25502 14065 1 19 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.106 0.761 25502 14066 1 19 . 1 1 133 133 LYS H H 133 9.469 9.469 8.728 0.741 25502 14067 1 19 . 1 1 134 134 GLU N N 134 118.178 118.178 114.556 3.622 25502 14068 1 19 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.424 0.135 25502 14069 1 19 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.540 -0.392 25502 14070 1 19 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.651 0.085 25502 14071 1 19 . 1 1 134 134 GLU H H 134 7.543 7.543 7.551 -0.008 25502 14072 1 19 . 1 1 135 135 GLY N N 135 107.767 107.767 107.768 -0.001 25502 14073 1 19 . 1 1 135 135 GLY CA C 135 45.867 45.867 46.381 -0.514 25502 14074 1 19 . 1 1 135 135 GLY H H 135 8.693 8.693 8.727 -0.034 25502 14075 1 19 . 1 1 136 136 MET N N 136 122.307 122.307 119.156 3.151 25502 14076 1 19 . 1 1 136 136 MET HA H 136 4.437 4.437 4.067 0.370 25502 14077 1 19 . 1 1 136 136 MET CA C 136 56.659 56.659 57.896 -1.237 25502 14078 1 19 . 1 1 136 136 MET CB C 136 30.025 30.025 32.716 -2.691 25502 14079 1 19 . 1 1 136 136 MET H H 136 8.790 8.790 8.328 0.462 25502 14080 1 19 . 1 1 137 137 ASN N N 137 114.221 114.221 116.891 -2.670 25502 14081 1 19 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.421 0.029 25502 14082 1 19 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.922 0.004 25502 14083 1 19 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.358 -1.541 25502 14084 1 19 . 1 1 137 137 ASN H H 137 8.849 8.849 8.535 0.314 25502 14085 1 19 . 1 1 138 138 ILE N N 138 123.949 123.949 119.255 4.694 25502 14086 1 19 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.913 -0.163 25502 14087 1 19 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.474 -2.143 25502 14088 1 19 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.655 -2.315 25502 14089 1 19 . 1 1 138 138 ILE H H 138 7.642 7.642 8.071 -0.429 25502 14090 1 19 . 1 1 139 139 VAL N N 139 121.654 121.654 119.483 2.171 25502 14091 1 19 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.754 0.090 25502 14092 1 19 . 1 1 139 139 VAL CA C 139 66.031 66.031 67.136 -1.105 25502 14093 1 19 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.256 -0.280 25502 14094 1 19 . 1 1 139 139 VAL H H 139 7.244 7.244 7.870 -0.626 25502 14095 1 19 . 1 1 140 140 GLU N N 140 117.078 117.078 118.727 -1.649 25502 14096 1 19 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.153 -0.110 25502 14097 1 19 . 1 1 140 140 GLU CA C 140 59.162 59.162 59.547 -0.385 25502 14098 1 19 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.367 0.052 25502 14099 1 19 . 1 1 140 140 GLU H H 140 8.291 8.291 7.836 0.455 25502 14100 1 19 . 1 1 141 141 ALA N N 141 120.813 120.813 122.413 -1.600 25502 14101 1 19 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.158 -0.097 25502 14102 1 19 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.800 -0.071 25502 14103 1 19 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.511 -0.494 25502 14104 1 19 . 1 1 141 141 ALA H H 141 7.495 7.495 7.244 0.251 25502 14105 1 19 . 1 1 142 142 MET N N 142 117.301 117.301 117.730 -0.429 25502 14106 1 19 . 1 1 142 142 MET HA H 142 3.938 3.938 4.282 -0.344 25502 14107 1 19 . 1 1 142 142 MET CA C 142 59.610 59.610 59.279 0.331 25502 14108 1 19 . 1 1 142 142 MET CB C 142 33.678 33.678 32.422 1.256 25502 14109 1 19 . 1 1 142 142 MET H H 142 8.259 8.259 8.055 0.204 25502 14110 1 19 . 1 1 143 143 GLU N N 143 116.052 116.052 117.304 -1.252 25502 14111 1 19 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.083 -0.367 25502 14112 1 19 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.000 0.182 25502 14113 1 19 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.802 1.469 25502 14114 1 19 . 1 1 143 143 GLU H H 143 7.832 7.832 8.004 -0.172 25502 14115 1 19 . 1 1 144 144 ARG N N 144 114.357 114.357 119.811 -5.454 25502 14116 1 19 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.003 -0.081 25502 14117 1 19 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.796 -0.254 25502 14118 1 19 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.208 0.095 25502 14119 1 19 . 1 1 144 144 ARG H H 144 7.034 7.034 7.284 -0.250 25502 14120 1 19 . 1 1 145 145 PHE N N 145 115.146 115.146 116.159 -1.013 25502 14121 1 19 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.677 0.116 25502 14122 1 19 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.680 -0.066 25502 14123 1 19 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.495 -0.583 25502 14124 1 19 . 1 1 145 145 PHE H H 145 7.624 7.624 7.966 -0.342 25502 14125 1 19 . 1 1 146 146 GLY N N 146 104.498 104.498 106.929 -2.431 25502 14126 1 19 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.670 0.478 25502 14127 1 19 . 1 1 146 146 GLY H H 146 7.514 7.514 7.385 0.129 25502 14128 1 19 . 1 1 147 147 SER N N 147 109.815 109.815 115.969 -6.154 25502 14129 1 19 . 1 1 147 147 SER HA H 147 4.755 4.755 4.767 -0.012 25502 14130 1 19 . 1 1 147 147 SER CA C 147 58.033 58.033 57.274 0.759 25502 14131 1 19 . 1 1 147 147 SER H H 147 8.190 8.190 8.647 -0.457 25502 14132 1 19 . 1 1 148 148 ARG N N 148 119.789 119.789 124.531 -4.742 25502 14133 1 19 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.261 -0.094 25502 14134 1 19 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.728 2.763 25502 14135 1 19 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.554 2.108 25502 14136 1 19 . 1 1 148 148 ARG H H 148 8.795 8.795 8.854 -0.059 25502 14137 1 19 . 1 1 149 149 ASN N N 149 111.378 111.378 116.707 -5.329 25502 14138 1 19 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.732 0.102 25502 14139 1 19 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.589 -1.469 25502 14140 1 19 . 1 1 149 149 ASN CB C 149 38.241 38.241 40.785 -2.543 25502 14141 1 19 . 1 1 149 149 ASN H H 149 7.841 7.841 8.603 -0.762 25502 14142 1 19 . 1 1 150 150 GLY N N 150 109.893 109.893 109.176 0.717 25502 14143 1 19 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.769 -0.872 25502 14144 1 19 . 1 1 150 150 GLY H H 150 8.040 8.040 7.721 0.319 25502 14145 1 19 . 1 1 151 151 LYS N N 151 119.608 119.608 121.747 -2.139 25502 14146 1 19 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.622 -0.217 25502 14147 1 19 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.022 0.023 25502 14148 1 19 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.465 -1.196 25502 14149 1 19 . 1 1 151 151 LYS H H 151 7.525 7.525 7.959 -0.434 25502 14150 1 19 . 1 1 152 152 THR N N 152 116.317 116.317 109.763 6.554 25502 14151 1 19 . 1 1 152 152 THR HA H 152 5.532 5.532 4.954 0.578 25502 14152 1 19 . 1 1 152 152 THR CA C 152 59.953 59.953 59.939 0.014 25502 14153 1 19 . 1 1 152 152 THR CB C 152 71.108 71.108 71.337 -0.229 25502 14154 1 19 . 1 1 152 152 THR H H 152 8.823 8.823 8.314 0.509 25502 14155 1 19 . 1 1 153 153 SER N N 153 116.804 116.804 116.791 0.013 25502 14156 1 19 . 1 1 153 153 SER HA H 153 4.456 4.456 4.607 -0.151 25502 14157 1 19 . 1 1 153 153 SER CA C 153 58.712 58.712 60.297 -1.585 25502 14158 1 19 . 1 1 153 153 SER CB C 153 63.477 63.477 64.201 -0.724 25502 14159 1 19 . 1 1 153 153 SER H H 153 9.412 9.412 8.983 0.429 25502 14160 1 19 . 1 1 154 154 LYS N N 154 119.068 119.068 121.004 -1.936 25502 14161 1 19 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.194 0.338 25502 14162 1 19 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.413 -2.013 25502 14163 1 19 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.158 5.248 25502 14164 1 19 . 1 1 154 154 LYS H H 154 7.527 7.527 8.246 -0.719 25502 14165 1 19 . 1 1 155 155 LYS N N 155 121.541 121.541 121.109 0.432 25502 14166 1 19 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.505 -0.192 25502 14167 1 19 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.121 1.026 25502 14168 1 19 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.457 -0.469 25502 14169 1 19 . 1 1 155 155 LYS H H 155 8.791 8.791 8.298 0.493 25502 14170 1 19 . 1 1 156 156 ILE N N 156 133.980 133.980 129.942 4.038 25502 14171 1 19 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.045 0.048 25502 14172 1 19 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.590 -1.326 25502 14173 1 19 . 1 1 156 156 ILE CB C 156 36.840 36.840 37.925 -1.085 25502 14174 1 19 . 1 1 156 156 ILE H H 156 9.606 9.606 8.848 0.758 25502 14175 1 19 . 1 1 157 157 THR N N 157 116.977 116.977 121.200 -4.223 25502 14176 1 19 . 1 1 157 157 THR HA H 157 5.274 5.274 5.247 0.027 25502 14177 1 19 . 1 1 157 157 THR CA C 157 59.475 59.475 59.627 -0.152 25502 14178 1 19 . 1 1 157 157 THR CB C 157 72.475 72.475 71.983 0.492 25502 14179 1 19 . 1 1 157 157 THR H H 157 9.233 9.233 8.453 0.780 25502 14180 1 19 . 1 1 158 158 ILE N N 158 121.529 121.529 121.670 -0.141 25502 14181 1 19 . 1 1 158 158 ILE HA H 158 4.242 4.242 5.000 -0.758 25502 14182 1 19 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.134 0.734 25502 14183 1 19 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.865 -2.075 25502 14184 1 19 . 1 1 158 158 ILE H H 158 8.580 8.580 8.175 0.405 25502 14185 1 19 . 1 1 159 159 ALA N N 159 132.313 132.313 131.816 0.497 25502 14186 1 19 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.240 -0.116 25502 14187 1 19 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.600 0.473 25502 14188 1 19 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.700 -0.686 25502 14189 1 19 . 1 1 159 159 ALA H H 159 8.873 8.873 8.659 0.214 25502 14190 1 19 . 1 1 160 160 ASP N N 160 111.257 111.257 116.757 -5.500 25502 14191 1 19 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.748 0.142 25502 14192 1 19 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.123 -0.484 25502 14193 1 19 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.137 0.450 25502 14194 1 19 . 1 1 160 160 ASP H H 160 8.066 8.066 7.895 0.171 25502 14195 1 19 . 1 1 161 161 CYS N N 161 115.837 115.837 119.019 -3.182 25502 14196 1 19 . 1 1 161 161 CYS HA H 161 4.544 4.544 4.198 0.346 25502 14197 1 19 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.925 -0.777 25502 14198 1 19 . 1 1 161 161 CYS CB C 161 31.137 31.137 31.163 -0.026 25502 14199 1 19 . 1 1 161 161 CYS H H 161 8.591 8.591 8.404 0.187 25502 14200 1 19 . 1 1 162 162 GLY N N 162 103.888 103.888 108.169 -4.281 25502 14201 1 19 . 1 1 162 162 GLY CA C 162 45.349 45.349 45.260 0.089 25502 14202 1 19 . 1 1 162 162 GLY H H 162 6.844 6.844 7.678 -0.834 25502 14203 1 19 . 1 1 163 163 GLN N N 163 120.718 120.718 121.972 -1.254 25502 14204 1 19 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.275 0.794 25502 14205 1 19 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.360 -1.551 25502 14206 1 19 . 1 1 163 163 GLN CB C 163 30.590 30.590 28.422 2.168 25502 14207 1 19 . 1 1 163 163 GLN H H 163 9.066 9.066 8.579 0.487 25502 14208 1 19 . 1 1 164 164 LEU N N 164 125.816 125.816 126.463 -0.647 25502 14209 1 19 . 1 1 164 164 LEU HA H 164 4.607 4.607 3.942 0.665 25502 14210 1 19 . 1 1 164 164 LEU CA C 164 54.739 54.739 57.139 -2.400 25502 14211 1 19 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.477 1.885 25502 14212 1 19 . 1 1 164 164 LEU H H 164 8.593 8.593 8.724 -0.131 25502 14213 1 20 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.370 -0.194 25502 14214 1 20 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.012 -0.520 25502 14215 1 20 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.838 -0.712 25502 14216 1 20 . 1 1 3 3 ASN N N 3 126.515 126.515 125.975 0.540 25502 14217 1 20 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.080 0.057 25502 14218 1 20 . 1 1 3 3 ASN CA C 3 51.008 51.008 50.695 0.313 25502 14219 1 20 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.521 -1.722 25502 14220 1 20 . 1 1 3 3 ASN H H 3 8.600 8.600 8.524 0.076 25502 14221 1 20 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.414 0.339 25502 14222 1 20 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.840 -0.171 25502 14223 1 20 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.530 0.608 25502 14224 1 20 . 1 1 5 5 THR N N 5 114.826 114.826 116.706 -1.880 25502 14225 1 20 . 1 1 5 5 THR HA H 5 5.716 5.716 4.849 0.867 25502 14226 1 20 . 1 1 5 5 THR CA C 5 60.698 60.698 61.620 -0.922 25502 14227 1 20 . 1 1 5 5 THR CB C 5 41.142 41.142 72.194 -31.052 25502 14228 1 20 . 1 1 5 5 THR H H 5 8.771 8.771 8.119 0.652 25502 14229 1 20 . 1 1 6 6 VAL N N 6 120.113 120.113 123.498 -3.385 25502 14230 1 20 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.435 -0.096 25502 14231 1 20 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.301 -0.504 25502 14232 1 20 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.126 1.009 25502 14233 1 20 . 1 1 6 6 VAL H H 6 8.741 8.741 8.266 0.475 25502 14234 1 20 . 1 1 7 7 PHE N N 7 118.968 118.968 122.857 -3.889 25502 14235 1 20 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.023 0.872 25502 14236 1 20 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.005 0.683 25502 14237 1 20 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.600 1.443 25502 14238 1 20 . 1 1 7 7 PHE H H 7 8.954 8.954 8.321 0.633 25502 14239 1 20 . 1 1 8 8 PHE N N 8 116.774 116.774 120.812 -4.038 25502 14240 1 20 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.920 0.397 25502 14241 1 20 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.241 -3.818 25502 14242 1 20 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.727 1.143 25502 14243 1 20 . 1 1 8 8 PHE H H 8 9.540 9.540 8.746 0.794 25502 14244 1 20 . 1 1 9 9 ASP N N 9 123.959 123.959 125.213 -1.254 25502 14245 1 20 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.800 0.733 25502 14246 1 20 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.582 -0.817 25502 14247 1 20 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.208 0.105 25502 14248 1 20 . 1 1 9 9 ASP H H 9 9.266 9.266 9.132 0.134 25502 14249 1 20 . 1 1 10 10 ILE N N 10 124.122 124.122 125.608 -1.486 25502 14250 1 20 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.346 0.826 25502 14251 1 20 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.921 -2.762 25502 14252 1 20 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.332 0.371 25502 14253 1 20 . 1 1 10 10 ILE H H 10 9.030 9.030 8.022 1.008 25502 14254 1 20 . 1 1 11 11 ALA N N 11 132.244 132.244 130.059 2.185 25502 14255 1 20 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.991 0.174 25502 14256 1 20 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.385 0.279 25502 14257 1 20 . 1 1 11 11 ALA CB C 11 52.561 52.561 23.117 29.444 25502 14258 1 20 . 1 1 11 11 ALA H H 11 9.603 9.603 9.041 0.562 25502 14259 1 20 . 1 1 12 12 VAL N N 12 118.199 118.199 120.989 -2.790 25502 14260 1 20 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.672 -0.161 25502 14261 1 20 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.772 -1.346 25502 14262 1 20 . 1 1 12 12 VAL CB C 12 33.181 33.181 33.375 -0.194 25502 14263 1 20 . 1 1 12 12 VAL H H 12 8.943 8.943 8.785 0.158 25502 14264 1 20 . 1 1 13 13 ASP N N 13 130.748 130.748 128.715 2.033 25502 14265 1 20 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.275 0.045 25502 14266 1 20 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.682 0.144 25502 14267 1 20 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.367 -0.532 25502 14268 1 20 . 1 1 13 13 ASP H H 13 9.846 9.846 8.986 0.860 25502 14269 1 20 . 1 1 14 14 GLY N N 14 101.493 101.493 103.648 -2.155 25502 14270 1 20 . 1 1 14 14 GLY CA C 14 45.082 45.082 44.974 0.108 25502 14271 1 20 . 1 1 14 14 GLY H H 14 8.558 8.558 8.594 -0.036 25502 14272 1 20 . 1 1 15 15 GLU N N 15 123.014 123.014 123.763 -0.749 25502 14273 1 20 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.699 0.137 25502 14274 1 20 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.851 -0.098 25502 14275 1 20 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.212 0.024 25502 14276 1 20 . 1 1 15 15 GLU H H 15 8.046 8.046 7.642 0.404 25502 14277 1 20 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.630 -0.454 25502 14278 1 20 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.995 1.551 25502 14279 1 20 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.435 29.676 25502 14280 1 20 . 1 1 17 17 LEU N N 17 125.784 125.784 123.761 2.023 25502 14281 1 20 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.169 0.518 25502 14282 1 20 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.471 -1.123 25502 14283 1 20 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.635 1.522 25502 14284 1 20 . 1 1 17 17 LEU H H 17 9.189 9.189 8.797 0.392 25502 14285 1 20 . 1 1 18 18 GLY N N 18 102.200 102.200 104.861 -2.661 25502 14286 1 20 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.626 0.343 25502 14287 1 20 . 1 1 18 18 GLY H H 18 7.256 7.256 7.417 -0.161 25502 14288 1 20 . 1 1 19 19 ARG N N 19 120.995 120.995 122.837 -1.842 25502 14289 1 20 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.744 0.878 25502 14290 1 20 . 1 1 19 19 ARG CA C 19 55.015 55.015 54.962 0.053 25502 14291 1 20 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.339 1.001 25502 14292 1 20 . 1 1 19 19 ARG H H 19 8.320 8.320 8.319 0.001 25502 14293 1 20 . 1 1 20 20 VAL N N 20 126.616 126.616 124.709 1.907 25502 14294 1 20 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.816 -0.213 25502 14295 1 20 . 1 1 20 20 VAL CA C 20 59.941 59.941 60.914 -0.973 25502 14296 1 20 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.554 1.329 25502 14297 1 20 . 1 1 20 20 VAL H H 20 9.364 9.364 8.665 0.699 25502 14298 1 20 . 1 1 21 21 SER N N 21 120.061 120.061 120.868 -0.807 25502 14299 1 20 . 1 1 21 21 SER HA H 21 5.515 5.515 5.031 0.484 25502 14300 1 20 . 1 1 21 21 SER CA C 21 55.317 55.317 55.608 -0.291 25502 14301 1 20 . 1 1 21 21 SER CB C 21 36.773 36.773 66.390 -29.617 25502 14302 1 20 . 1 1 21 21 SER H H 21 8.768 8.768 7.974 0.794 25502 14303 1 20 . 1 1 22 22 PHE N N 22 118.878 118.878 118.013 0.865 25502 14304 1 20 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.280 -0.043 25502 14305 1 20 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.687 -0.999 25502 14306 1 20 . 1 1 22 22 PHE CB C 22 42.574 42.574 42.843 -0.269 25502 14307 1 20 . 1 1 22 22 PHE H H 22 9.508 9.508 9.025 0.483 25502 14308 1 20 . 1 1 23 23 GLU N N 23 122.926 122.926 123.880 -0.954 25502 14309 1 20 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.530 0.219 25502 14310 1 20 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.184 -0.235 25502 14311 1 20 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.268 1.361 25502 14312 1 20 . 1 1 23 23 GLU H H 23 8.740 8.740 9.005 -0.265 25502 14313 1 20 . 1 1 24 24 LEU N N 24 122.262 122.262 128.001 -5.739 25502 14314 1 20 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.497 0.200 25502 14315 1 20 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.331 -2.780 25502 14316 1 20 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.803 0.317 25502 14317 1 20 . 1 1 24 24 LEU H H 24 8.185 8.185 7.896 0.289 25502 14318 1 20 . 1 1 25 25 PHE N N 25 124.423 124.423 123.066 1.357 25502 14319 1 20 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.614 0.494 25502 14320 1 20 . 1 1 25 25 PHE CA C 25 54.290 54.290 56.870 -2.580 25502 14321 1 20 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.605 -0.644 25502 14322 1 20 . 1 1 25 25 PHE H H 25 8.815 8.815 9.304 -0.489 25502 14323 1 20 . 1 1 26 26 ALA N N 26 128.683 128.683 124.564 4.119 25502 14324 1 20 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.287 -0.516 25502 14325 1 20 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.622 -0.336 25502 14326 1 20 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.733 -0.108 25502 14327 1 20 . 1 1 26 26 ALA H H 26 8.433 8.433 7.684 0.749 25502 14328 1 20 . 1 1 27 27 ASP N N 27 114.069 114.069 116.823 -2.754 25502 14329 1 20 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.520 -0.277 25502 14330 1 20 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.186 -0.858 25502 14331 1 20 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.593 -1.738 25502 14332 1 20 . 1 1 27 27 ASP H H 27 9.052 9.052 8.527 0.525 25502 14333 1 20 . 1 1 28 28 LYS N N 28 117.763 117.763 117.786 -0.023 25502 14334 1 20 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.440 0.131 25502 14335 1 20 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.873 -0.641 25502 14336 1 20 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.547 1.375 25502 14337 1 20 . 1 1 28 28 LYS H H 28 7.545 7.545 7.890 -0.345 25502 14338 1 20 . 1 1 29 29 VAL N N 29 114.212 114.212 115.322 -1.110 25502 14339 1 20 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.654 -0.203 25502 14340 1 20 . 1 1 29 29 VAL CA C 29 58.089 58.089 59.026 -0.937 25502 14341 1 20 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.849 -0.104 25502 14342 1 20 . 1 1 29 29 VAL H H 29 8.368 8.368 8.138 0.230 25502 14343 1 20 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.344 0.051 25502 14344 1 20 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.522 0.561 25502 14345 1 20 . 1 1 30 30 PRO CB C 30 31.304 31.304 31.834 -0.530 25502 14346 1 20 . 1 1 31 31 LYS N N 31 123.500 123.500 118.874 4.626 25502 14347 1 20 . 1 1 31 31 LYS HA H 31 4.007 4.007 3.993 0.014 25502 14348 1 20 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.045 1.311 25502 14349 1 20 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.291 0.988 25502 14350 1 20 . 1 1 31 31 LYS H H 31 10.663 10.663 8.600 2.063 25502 14351 1 20 . 1 1 32 32 THR N N 32 123.707 123.707 113.052 10.655 25502 14352 1 20 . 1 1 32 32 THR HA H 32 3.988 3.988 3.828 0.160 25502 14353 1 20 . 1 1 32 32 THR CA C 32 37.678 37.678 65.304 -27.626 25502 14354 1 20 . 1 1 32 32 THR CB C 32 38.883 38.883 68.177 -29.294 25502 14355 1 20 . 1 1 32 32 THR H H 32 10.283 10.283 7.531 2.752 25502 14356 1 20 . 1 1 33 33 ALA N N 33 125.366 125.366 124.578 0.788 25502 14357 1 20 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.420 -0.383 25502 14358 1 20 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.422 0.445 25502 14359 1 20 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.364 -0.129 25502 14360 1 20 . 1 1 33 33 ALA H H 33 9.281 9.281 8.436 0.845 25502 14361 1 20 . 1 1 34 34 GLU N N 34 117.040 117.040 118.293 -1.253 25502 14362 1 20 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.963 0.546 25502 14363 1 20 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.860 -1.974 25502 14364 1 20 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.546 28.357 25502 14365 1 20 . 1 1 34 34 GLU H H 34 8.027 8.027 8.536 -0.509 25502 14366 1 20 . 1 1 35 35 ASN N N 35 115.398 115.398 118.509 -3.111 25502 14367 1 20 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.553 -0.499 25502 14368 1 20 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.366 0.265 25502 14369 1 20 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.462 1.003 25502 14370 1 20 . 1 1 35 35 ASN H H 35 7.139 7.139 7.672 -0.533 25502 14371 1 20 . 1 1 36 36 PHE N N 36 117.607 117.607 121.410 -3.803 25502 14372 1 20 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.304 -0.195 25502 14373 1 20 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.926 0.465 25502 14374 1 20 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.221 0.791 25502 14375 1 20 . 1 1 36 36 PHE H H 36 7.012 7.012 7.730 -0.718 25502 14376 1 20 . 1 1 37 37 ARG N N 37 120.804 120.804 119.804 1.000 25502 14377 1 20 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.916 -0.284 25502 14378 1 20 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.836 0.545 25502 14379 1 20 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.244 -0.384 25502 14380 1 20 . 1 1 37 37 ARG H H 37 8.935 8.935 9.083 -0.148 25502 14381 1 20 . 1 1 38 38 ALA N N 38 118.869 118.869 122.602 -3.733 25502 14382 1 20 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.105 -0.036 25502 14383 1 20 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.031 -0.690 25502 14384 1 20 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.400 -0.165 25502 14385 1 20 . 1 1 38 38 ALA H H 38 8.687 8.687 8.290 0.397 25502 14386 1 20 . 1 1 39 39 LEU N N 39 120.488 120.488 118.569 1.919 25502 14387 1 20 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.798 -0.054 25502 14388 1 20 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.731 -0.616 25502 14389 1 20 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.938 -0.912 25502 14390 1 20 . 1 1 39 39 LEU H H 39 8.173 8.173 8.033 0.140 25502 14391 1 20 . 1 1 40 40 SER N N 40 118.952 118.952 115.031 3.921 25502 14392 1 20 . 1 1 40 40 SER HA H 40 4.444 4.444 3.857 0.587 25502 14393 1 20 . 1 1 40 40 SER CA C 40 62.334 62.334 62.001 0.333 25502 14394 1 20 . 1 1 40 40 SER CB C 40 62.884 62.884 62.946 -0.062 25502 14395 1 20 . 1 1 40 40 SER H H 40 7.900 7.900 8.425 -0.525 25502 14396 1 20 . 1 1 41 41 THR N N 41 108.208 108.208 110.441 -2.233 25502 14397 1 20 . 1 1 41 41 THR HA H 41 4.288 4.288 4.128 0.160 25502 14398 1 20 . 1 1 41 41 THR CA C 41 62.810 62.810 63.972 -1.162 25502 14399 1 20 . 1 1 41 41 THR CB C 41 69.221 69.221 69.289 -0.068 25502 14400 1 20 . 1 1 41 41 THR H H 41 7.974 7.974 8.073 -0.099 25502 14401 1 20 . 1 1 42 42 GLY N N 42 108.122 108.122 109.562 -1.440 25502 14402 1 20 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.369 0.388 25502 14403 1 20 . 1 1 42 42 GLY H H 42 7.582 7.582 7.866 -0.284 25502 14404 1 20 . 1 1 43 43 GLU N N 43 118.454 118.454 121.957 -3.503 25502 14405 1 20 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.941 0.179 25502 14406 1 20 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.267 0.090 25502 14407 1 20 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.108 0.834 25502 14408 1 20 . 1 1 43 43 GLU H H 43 8.009 8.009 7.771 0.238 25502 14409 1 20 . 1 1 44 44 LYS N N 44 118.055 118.055 119.091 -1.036 25502 14410 1 20 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.844 0.437 25502 14411 1 20 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.544 -3.424 25502 14412 1 20 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.211 -1.915 25502 14413 1 20 . 1 1 44 44 LYS H H 44 9.102 9.102 7.794 1.308 25502 14414 1 20 . 1 1 45 45 GLY N N 45 105.305 105.305 105.482 -0.177 25502 14415 1 20 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.156 -0.625 25502 14416 1 20 . 1 1 45 45 GLY H H 45 7.939 7.939 8.027 -0.088 25502 14417 1 20 . 1 1 46 46 PHE N N 46 113.461 113.461 117.378 -3.917 25502 14418 1 20 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.689 -0.065 25502 14419 1 20 . 1 1 46 46 PHE CA C 46 53.881 53.881 56.981 -3.100 25502 14420 1 20 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.051 0.417 25502 14421 1 20 . 1 1 46 46 PHE H H 46 6.413 6.413 7.263 -0.850 25502 14422 1 20 . 1 1 47 47 GLY N N 47 104.416 104.416 110.306 -5.890 25502 14423 1 20 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.300 0.158 25502 14424 1 20 . 1 1 47 47 GLY H H 47 7.686 7.686 7.025 0.661 25502 14425 1 20 . 1 1 48 48 TYR N N 48 113.530 113.530 119.929 -6.399 25502 14426 1 20 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.484 -0.276 25502 14427 1 20 . 1 1 48 48 TYR CA C 48 57.039 57.039 58.576 -1.537 25502 14428 1 20 . 1 1 48 48 TYR CB C 48 38.419 38.419 39.433 -1.014 25502 14429 1 20 . 1 1 48 48 TYR H H 48 6.887 6.887 8.489 -1.602 25502 14430 1 20 . 1 1 49 49 LYS N N 49 124.631 124.631 128.058 -3.427 25502 14431 1 20 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.397 -0.802 25502 14432 1 20 . 1 1 49 49 LYS CA C 49 60.882 60.882 55.923 4.959 25502 14433 1 20 . 1 1 49 49 LYS CB C 49 31.168 31.168 30.871 0.297 25502 14434 1 20 . 1 1 49 49 LYS H H 49 8.474 8.474 8.558 -0.084 25502 14435 1 20 . 1 1 50 50 GLY N N 50 117.591 117.591 109.814 7.777 25502 14436 1 20 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.709 -0.668 25502 14437 1 20 . 1 1 50 50 GLY H H 50 9.482 9.482 8.092 1.390 25502 14438 1 20 . 1 1 51 51 SER N N 51 116.156 116.156 116.469 -0.313 25502 14439 1 20 . 1 1 51 51 SER HA H 51 4.658 4.658 4.393 0.265 25502 14440 1 20 . 1 1 51 51 SER CA C 51 58.682 58.682 60.626 -1.944 25502 14441 1 20 . 1 1 51 51 SER CB C 51 64.607 64.607 63.138 1.469 25502 14442 1 20 . 1 1 51 51 SER H H 51 8.397 8.397 8.725 -0.328 25502 14443 1 20 . 1 1 52 52 CYS N N 52 114.800 114.800 116.042 -1.242 25502 14444 1 20 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.971 0.924 25502 14445 1 20 . 1 1 52 52 CYS CA C 52 55.965 55.965 57.542 -1.577 25502 14446 1 20 . 1 1 52 52 CYS CB C 52 31.719 31.719 29.945 1.774 25502 14447 1 20 . 1 1 52 52 CYS H H 52 9.858 9.858 8.364 1.494 25502 14448 1 20 . 1 1 53 53 PHE N N 53 122.839 122.839 123.557 -0.718 25502 14449 1 20 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.641 0.212 25502 14450 1 20 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.937 0.146 25502 14451 1 20 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.273 -1.546 25502 14452 1 20 . 1 1 53 53 PHE H H 53 8.702 8.702 8.743 -0.041 25502 14453 1 20 . 1 1 54 54 HIS N N 54 119.944 119.944 121.763 -1.819 25502 14454 1 20 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.910 -0.204 25502 14455 1 20 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.723 1.262 25502 14456 1 20 . 1 1 54 54 HIS CB C 54 31.344 31.344 30.291 1.053 25502 14457 1 20 . 1 1 54 54 HIS H H 54 7.623 7.623 8.646 -1.023 25502 14458 1 20 . 1 1 55 55 ARG N N 55 122.758 122.758 120.229 2.529 25502 14459 1 20 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.674 0.425 25502 14460 1 20 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.644 -1.941 25502 14461 1 20 . 1 1 55 55 ARG CB C 55 33.771 33.771 31.814 1.957 25502 14462 1 20 . 1 1 55 55 ARG H H 55 7.031 7.031 7.845 -0.814 25502 14463 1 20 . 1 1 56 56 ILE N N 56 126.170 126.170 125.259 0.911 25502 14464 1 20 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.420 0.169 25502 14465 1 20 . 1 1 56 56 ILE CA C 56 61.451 61.451 61.044 0.407 25502 14466 1 20 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.951 -0.319 25502 14467 1 20 . 1 1 56 56 ILE H H 56 9.166 9.166 8.946 0.220 25502 14468 1 20 . 1 1 57 57 ILE N N 57 127.731 127.731 127.231 0.500 25502 14469 1 20 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.913 0.284 25502 14470 1 20 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.365 0.249 25502 14471 1 20 . 1 1 57 57 ILE CB C 57 40.015 40.015 41.716 -1.701 25502 14472 1 20 . 1 1 57 57 ILE H H 57 8.718 8.718 8.187 0.531 25502 14473 1 20 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.562 -0.238 25502 14474 1 20 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.138 -0.189 25502 14475 1 20 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.296 1.615 25502 14476 1 20 . 1 1 59 59 GLY N N 59 113.877 113.877 109.610 4.267 25502 14477 1 20 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.699 -0.521 25502 14478 1 20 . 1 1 59 59 GLY H H 59 9.679 9.679 8.244 1.435 25502 14479 1 20 . 1 1 60 60 PHE N N 60 118.955 118.955 122.199 -3.244 25502 14480 1 20 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.917 0.176 25502 14481 1 20 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.345 -1.600 25502 14482 1 20 . 1 1 60 60 PHE CB C 60 39.693 39.693 43.120 -3.427 25502 14483 1 20 . 1 1 60 60 PHE H H 60 8.095 8.095 7.860 0.235 25502 14484 1 20 . 1 1 61 61 MET N N 61 110.963 110.963 110.114 0.849 25502 14485 1 20 . 1 1 61 61 MET HA H 61 5.311 5.311 4.922 0.389 25502 14486 1 20 . 1 1 61 61 MET CA C 61 54.802 54.802 55.160 -0.358 25502 14487 1 20 . 1 1 61 61 MET CB C 61 34.892 34.892 33.222 1.670 25502 14488 1 20 . 1 1 61 61 MET H H 61 8.088 8.088 7.750 0.338 25502 14489 1 20 . 1 1 62 62 CYS N N 62 114.627 114.627 119.862 -5.235 25502 14490 1 20 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.878 -0.005 25502 14491 1 20 . 1 1 62 62 CYS CA C 62 57.335 57.335 58.443 -1.108 25502 14492 1 20 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.000 30.060 25502 14493 1 20 . 1 1 62 62 CYS H H 62 8.474 8.474 8.175 0.299 25502 14494 1 20 . 1 1 63 63 GLN N N 63 126.463 126.463 118.677 7.786 25502 14495 1 20 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.834 0.542 25502 14496 1 20 . 1 1 63 63 GLN CA C 63 54.524 54.524 56.039 -1.515 25502 14497 1 20 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.251 -1.851 25502 14498 1 20 . 1 1 63 63 GLN H H 63 9.651 9.651 8.105 1.546 25502 14499 1 20 . 1 1 64 64 GLY N N 64 110.531 110.531 111.306 -0.775 25502 14500 1 20 . 1 1 64 64 GLY CA C 64 44.400 44.400 45.345 -0.945 25502 14501 1 20 . 1 1 64 64 GLY H H 64 7.352 7.352 8.027 -0.675 25502 14502 1 20 . 1 1 65 65 GLY N N 65 105.572 105.572 113.331 -7.759 25502 14503 1 20 . 1 1 65 65 GLY CA C 65 46.425 46.425 45.324 1.101 25502 14504 1 20 . 1 1 65 65 GLY H H 65 9.292 9.292 7.664 1.628 25502 14505 1 20 . 1 1 66 66 ASP N N 66 123.656 123.656 120.272 3.384 25502 14506 1 20 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.597 -0.307 25502 14507 1 20 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.272 -1.767 25502 14508 1 20 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.859 -4.157 25502 14509 1 20 . 1 1 66 66 ASP H H 66 9.910 9.910 7.733 2.177 25502 14510 1 20 . 1 1 67 67 PHE N N 67 115.914 115.914 114.936 0.978 25502 14511 1 20 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.471 0.126 25502 14512 1 20 . 1 1 67 67 PHE CA C 67 55.784 55.784 58.127 -2.343 25502 14513 1 20 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.503 -0.146 25502 14514 1 20 . 1 1 67 67 PHE H H 67 6.624 6.624 7.539 -0.915 25502 14515 1 20 . 1 1 68 68 THR N N 68 108.853 108.853 114.893 -6.040 25502 14516 1 20 . 1 1 68 68 THR HA H 68 4.638 4.638 3.978 0.660 25502 14517 1 20 . 1 1 68 68 THR CA C 68 61.621 61.621 64.149 -2.528 25502 14518 1 20 . 1 1 68 68 THR CB C 68 68.789 68.789 68.832 -0.042 25502 14519 1 20 . 1 1 68 68 THR H H 68 7.320 7.320 7.081 0.239 25502 14520 1 20 . 1 1 69 69 ARG N N 69 121.780 121.780 118.531 3.249 25502 14521 1 20 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.331 0.031 25502 14522 1 20 . 1 1 69 69 ARG CA C 69 55.028 55.028 55.084 -0.056 25502 14523 1 20 . 1 1 69 69 ARG CB C 69 61.533 61.533 31.835 29.698 25502 14524 1 20 . 1 1 69 69 ARG H H 69 8.655 8.655 7.345 1.310 25502 14525 1 20 . 1 1 70 70 HIS N N 70 112.009 112.009 118.401 -6.392 25502 14526 1 20 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.936 -0.538 25502 14527 1 20 . 1 1 70 70 HIS CA C 70 57.135 57.135 54.964 2.171 25502 14528 1 20 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.716 28.718 25502 14529 1 20 . 1 1 70 70 HIS H H 70 6.838 6.838 8.356 -1.518 25502 14530 1 20 . 1 1 71 71 ASN N N 71 112.340 112.340 118.625 -6.285 25502 14531 1 20 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.615 -0.020 25502 14532 1 20 . 1 1 71 71 ASN CA C 71 52.160 52.160 52.914 -0.754 25502 14533 1 20 . 1 1 71 71 ASN CB C 71 38.707 38.707 40.128 -1.421 25502 14534 1 20 . 1 1 71 71 ASN H H 71 7.519 7.519 8.136 -0.617 25502 14535 1 20 . 1 1 72 72 GLY N N 72 110.239 110.239 107.166 3.073 25502 14536 1 20 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.236 -0.663 25502 14537 1 20 . 1 1 72 72 GLY H H 72 9.619 9.619 7.919 1.700 25502 14538 1 20 . 1 1 73 73 THR N N 73 111.802 111.802 113.266 -1.464 25502 14539 1 20 . 1 1 73 73 THR HA H 73 4.487 4.487 4.505 -0.018 25502 14540 1 20 . 1 1 73 73 THR CA C 73 62.070 62.070 61.760 0.310 25502 14541 1 20 . 1 1 73 73 THR CB C 73 40.762 40.762 68.278 -27.516 25502 14542 1 20 . 1 1 73 73 THR H H 73 7.930 7.930 7.838 0.092 25502 14543 1 20 . 1 1 74 74 GLY N N 74 113.668 113.668 108.638 5.030 25502 14544 1 20 . 1 1 74 74 GLY CA C 74 44.908 44.908 45.051 -0.143 25502 14545 1 20 . 1 1 74 74 GLY H H 74 8.669 8.669 7.708 0.961 25502 14546 1 20 . 1 1 75 75 GLY N N 75 108.813 108.813 107.938 0.875 25502 14547 1 20 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.184 -1.147 25502 14548 1 20 . 1 1 75 75 GLY H H 75 8.066 8.066 8.013 0.053 25502 14549 1 20 . 1 1 76 76 LYS N N 76 115.526 115.526 122.738 -7.212 25502 14550 1 20 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.568 0.017 25502 14551 1 20 . 1 1 76 76 LYS CA C 76 55.707 55.707 54.227 1.480 25502 14552 1 20 . 1 1 76 76 LYS CB C 76 34.515 34.515 34.879 -0.364 25502 14553 1 20 . 1 1 76 76 LYS H H 76 6.981 6.981 7.453 -0.472 25502 14554 1 20 . 1 1 77 77 SER N N 77 114.105 114.105 118.023 -3.918 25502 14555 1 20 . 1 1 77 77 SER HA H 77 5.185 5.185 4.783 0.402 25502 14556 1 20 . 1 1 77 77 SER CA C 77 56.816 56.816 57.451 -0.635 25502 14557 1 20 . 1 1 77 77 SER CB C 77 38.963 38.963 61.641 -22.678 25502 14558 1 20 . 1 1 78 78 ILE N N 78 110.963 110.963 115.780 -4.817 25502 14559 1 20 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.779 0.391 25502 14560 1 20 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.981 0.536 25502 14561 1 20 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.822 0.486 25502 14562 1 20 . 1 1 78 78 ILE H H 78 8.557 8.557 7.797 0.760 25502 14563 1 20 . 1 1 79 79 TYR N N 79 120.472 120.472 117.376 3.096 25502 14564 1 20 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.587 0.080 25502 14565 1 20 . 1 1 79 79 TYR CA C 79 56.147 56.147 57.317 -1.170 25502 14566 1 20 . 1 1 79 79 TYR CB C 79 38.725 38.725 38.907 -0.182 25502 14567 1 20 . 1 1 79 79 TYR H H 79 8.007 8.007 7.768 0.239 25502 14568 1 20 . 1 1 80 80 GLY N N 80 106.402 106.402 109.375 -2.973 25502 14569 1 20 . 1 1 80 80 GLY CA C 80 43.748 43.748 44.676 -0.928 25502 14570 1 20 . 1 1 80 80 GLY H H 80 7.115 7.115 7.809 -0.694 25502 14571 1 20 . 1 1 81 81 GLU N N 81 122.838 122.838 119.422 3.416 25502 14572 1 20 . 1 1 81 81 GLU HA H 81 3.946 3.946 3.885 0.061 25502 14573 1 20 . 1 1 81 81 GLU CA C 81 60.138 60.138 58.838 1.300 25502 14574 1 20 . 1 1 81 81 GLU CB C 81 30.108 30.108 29.616 0.492 25502 14575 1 20 . 1 1 81 81 GLU H H 81 8.878 8.878 8.677 0.201 25502 14576 1 20 . 1 1 82 82 LYS HA H 82 5.525 5.525 3.939 1.586 25502 14577 1 20 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.052 -1.277 25502 14578 1 20 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.719 2.592 25502 14579 1 20 . 1 1 82 82 LYS H H 82 7.799 7.799 7.395 0.404 25502 14580 1 20 . 1 1 83 83 PHE N N 83 116.432 116.432 114.719 1.713 25502 14581 1 20 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.756 0.189 25502 14582 1 20 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.839 -0.102 25502 14583 1 20 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.456 0.838 25502 14584 1 20 . 1 1 83 83 PHE H H 83 9.147 9.147 7.855 1.292 25502 14585 1 20 . 1 1 84 84 GLU N N 84 119.352 119.352 118.954 0.398 25502 14586 1 20 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.210 -0.408 25502 14587 1 20 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.963 0.234 25502 14588 1 20 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.645 -1.540 25502 14589 1 20 . 1 1 84 84 GLU H H 84 9.252 9.252 8.386 0.866 25502 14590 1 20 . 1 1 85 85 ASP N N 85 118.583 118.583 120.397 -1.814 25502 14591 1 20 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.587 -0.361 25502 14592 1 20 . 1 1 85 85 ASP CA C 85 53.974 53.974 54.958 -0.984 25502 14593 1 20 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.816 -1.031 25502 14594 1 20 . 1 1 85 85 ASP H H 85 8.593 8.593 8.433 0.160 25502 14595 1 20 . 1 1 86 86 GLU N N 86 131.488 131.488 125.535 5.953 25502 14596 1 20 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.136 -0.341 25502 14597 1 20 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.476 2.797 25502 14598 1 20 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.346 1.293 25502 14599 1 20 . 1 1 86 86 GLU H H 86 9.461 9.461 8.975 0.486 25502 14600 1 20 . 1 1 87 87 ASN N N 87 106.549 106.549 112.480 -5.931 25502 14601 1 20 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.886 0.244 25502 14602 1 20 . 1 1 87 87 ASN CA C 87 52.589 52.589 52.029 0.560 25502 14603 1 20 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.595 -0.246 25502 14604 1 20 . 1 1 87 87 ASN H H 87 7.044 7.044 7.851 -0.807 25502 14605 1 20 . 1 1 88 88 PHE N N 88 112.731 112.731 116.527 -3.796 25502 14606 1 20 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.902 1.025 25502 14607 1 20 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.075 -0.387 25502 14608 1 20 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.627 0.193 25502 14609 1 20 . 1 1 88 88 PHE H H 88 8.319 8.319 7.875 0.444 25502 14610 1 20 . 1 1 89 89 ILE N N 89 119.556 119.556 121.396 -1.840 25502 14611 1 20 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.808 -0.156 25502 14612 1 20 . 1 1 89 89 ILE CA C 89 64.887 64.887 64.284 0.603 25502 14613 1 20 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.643 1.296 25502 14614 1 20 . 1 1 89 89 ILE H H 89 8.302 8.302 8.015 0.287 25502 14615 1 20 . 1 1 90 90 LEU N N 90 116.951 116.951 119.586 -2.635 25502 14616 1 20 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.306 0.150 25502 14617 1 20 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.292 0.893 25502 14618 1 20 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.380 1.530 25502 14619 1 20 . 1 1 90 90 LEU H H 90 7.746 7.746 7.840 -0.094 25502 14620 1 20 . 1 1 91 91 LYS N N 91 118.722 118.722 120.113 -1.391 25502 14621 1 20 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.033 0.595 25502 14622 1 20 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.885 -1.570 25502 14623 1 20 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.701 0.849 25502 14624 1 20 . 1 1 91 91 LYS H H 91 8.057 8.057 7.852 0.205 25502 14625 1 20 . 1 1 92 92 HIS N N 92 122.221 122.221 119.275 2.946 25502 14626 1 20 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.369 -0.027 25502 14627 1 20 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.808 -0.052 25502 14628 1 20 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.517 -1.622 25502 14629 1 20 . 1 1 92 92 HIS H H 92 10.706 10.706 8.377 2.329 25502 14630 1 20 . 1 1 93 93 THR N N 93 110.178 110.178 113.514 -3.336 25502 14631 1 20 . 1 1 93 93 THR HA H 93 4.004 4.004 4.420 -0.416 25502 14632 1 20 . 1 1 93 93 THR CA C 93 63.018 63.018 61.246 1.772 25502 14633 1 20 . 1 1 93 93 THR CB C 93 69.341 69.341 69.537 -0.196 25502 14634 1 20 . 1 1 93 93 THR H H 93 7.261 7.261 7.681 -0.420 25502 14635 1 20 . 1 1 94 94 GLY N N 94 106.990 106.990 109.091 -2.101 25502 14636 1 20 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.248 1.206 25502 14637 1 20 . 1 1 94 94 GLY H H 94 7.489 7.489 7.469 0.020 25502 14638 1 20 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.613 -0.809 25502 14639 1 20 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.594 -0.055 25502 14640 1 20 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.596 29.356 25502 14641 1 20 . 1 1 96 96 GLY N N 96 109.908 109.908 107.814 2.094 25502 14642 1 20 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.648 -0.819 25502 14643 1 20 . 1 1 96 96 GLY H H 96 9.271 9.271 8.509 0.762 25502 14644 1 20 . 1 1 97 97 ILE N N 97 121.176 121.176 120.551 0.625 25502 14645 1 20 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.461 -0.346 25502 14646 1 20 . 1 1 97 97 ILE CA C 97 59.311 59.311 58.962 0.348 25502 14647 1 20 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.841 -1.083 25502 14648 1 20 . 1 1 97 97 ILE H H 97 6.765 6.765 7.357 -0.592 25502 14649 1 20 . 1 1 98 98 LEU N N 98 128.477 128.477 127.091 1.386 25502 14650 1 20 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.870 0.128 25502 14651 1 20 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.123 0.110 25502 14652 1 20 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.812 -1.187 25502 14653 1 20 . 1 1 98 98 LEU H H 98 7.872 7.872 8.280 -0.408 25502 14654 1 20 . 1 1 99 99 SER N N 99 118.325 118.325 115.177 3.148 25502 14655 1 20 . 1 1 99 99 SER HA H 99 5.316 5.316 4.884 0.432 25502 14656 1 20 . 1 1 99 99 SER CA C 99 54.909 54.909 57.858 -2.949 25502 14657 1 20 . 1 1 99 99 SER CB C 99 65.380 65.380 64.789 0.591 25502 14658 1 20 . 1 1 99 99 SER H H 99 8.285 8.285 8.126 0.159 25502 14659 1 20 . 1 1 100 100 MET N N 100 122.826 122.826 124.305 -1.479 25502 14660 1 20 . 1 1 100 100 MET HA H 100 5.259 5.259 4.479 0.780 25502 14661 1 20 . 1 1 100 100 MET CA C 100 53.800 53.800 55.828 -2.028 25502 14662 1 20 . 1 1 100 100 MET CB C 100 30.960 30.960 32.471 -1.511 25502 14663 1 20 . 1 1 100 100 MET H H 100 8.544 8.544 8.530 0.014 25502 14664 1 20 . 1 1 101 101 ALA N N 101 125.971 125.971 120.745 5.226 25502 14665 1 20 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.290 -0.014 25502 14666 1 20 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.963 -0.465 25502 14667 1 20 . 1 1 101 101 ALA CB C 101 19.403 19.403 19.779 -0.376 25502 14668 1 20 . 1 1 101 101 ALA H H 101 7.999 7.999 7.791 0.208 25502 14669 1 20 . 1 1 102 102 ASN N N 102 113.207 113.207 120.400 -7.193 25502 14670 1 20 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.833 -0.257 25502 14671 1 20 . 1 1 102 102 ASN CA C 102 53.841 53.841 53.584 0.257 25502 14672 1 20 . 1 1 102 102 ASN CB C 102 40.379 40.379 41.085 -0.706 25502 14673 1 20 . 1 1 102 102 ASN H H 102 8.097 8.097 8.435 -0.338 25502 14674 1 20 . 1 1 103 103 ALA N N 103 123.056 123.056 118.259 4.797 25502 14675 1 20 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.567 0.218 25502 14676 1 20 . 1 1 103 103 ALA CA C 103 50.154 50.154 52.613 -2.459 25502 14677 1 20 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.724 -0.695 25502 14678 1 20 . 1 1 103 103 ALA H H 103 8.787 8.787 7.902 0.885 25502 14679 1 20 . 1 1 104 104 GLY N N 104 108.942 108.942 108.104 0.838 25502 14680 1 20 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.290 -1.881 25502 14681 1 20 . 1 1 104 104 GLY H H 104 8.111 8.111 7.927 0.184 25502 14682 1 20 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.497 -0.170 25502 14683 1 20 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.238 0.645 25502 14684 1 20 . 1 1 105 105 PRO CB C 105 31.902 31.902 31.051 0.851 25502 14685 1 20 . 1 1 106 106 ASN N N 106 118.866 118.866 120.731 -1.865 25502 14686 1 20 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.410 -0.413 25502 14687 1 20 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.619 -0.516 25502 14688 1 20 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.139 -0.146 25502 14689 1 20 . 1 1 106 106 ASN H H 106 8.866 8.866 8.993 -0.127 25502 14690 1 20 . 1 1 107 107 THR N N 107 109.971 109.971 106.632 3.339 25502 14691 1 20 . 1 1 107 107 THR HA H 107 4.434 4.434 4.618 -0.184 25502 14692 1 20 . 1 1 107 107 THR CA C 107 60.040 60.040 61.104 -1.064 25502 14693 1 20 . 1 1 107 107 THR CB C 107 39.196 39.196 70.531 -31.335 25502 14694 1 20 . 1 1 107 107 THR H H 107 10.165 10.165 7.460 2.705 25502 14695 1 20 . 1 1 108 108 ASN N N 108 120.251 120.251 122.169 -1.918 25502 14696 1 20 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.672 -0.457 25502 14697 1 20 . 1 1 108 108 ASN CA C 108 55.448 55.448 55.221 0.228 25502 14698 1 20 . 1 1 108 108 ASN CB C 108 39.600 39.600 39.160 0.440 25502 14699 1 20 . 1 1 108 108 ASN H H 108 7.349 7.349 8.026 -0.677 25502 14700 1 20 . 1 1 109 109 GLY N N 109 110.632 110.632 107.163 3.469 25502 14701 1 20 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.270 0.769 25502 14702 1 20 . 1 1 109 109 GLY H H 109 9.188 9.188 8.110 1.078 25502 14703 1 20 . 1 1 110 110 SER N N 110 116.806 116.806 118.337 -1.531 25502 14704 1 20 . 1 1 110 110 SER HA H 110 4.698 4.698 4.611 0.087 25502 14705 1 20 . 1 1 110 110 SER CA C 110 57.454 57.454 57.913 -0.459 25502 14706 1 20 . 1 1 110 110 SER CB C 110 65.964 65.964 64.228 1.736 25502 14707 1 20 . 1 1 110 110 SER H H 110 8.738 8.738 8.321 0.417 25502 14708 1 20 . 1 1 111 111 GLN N N 111 124.263 124.263 121.470 2.793 25502 14709 1 20 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.061 1.107 25502 14710 1 20 . 1 1 111 111 GLN CA C 111 57.494 57.494 54.293 3.201 25502 14711 1 20 . 1 1 111 111 GLN CB C 111 31.632 31.632 28.835 2.797 25502 14712 1 20 . 1 1 111 111 GLN H H 111 8.388 8.388 7.457 0.931 25502 14713 1 20 . 1 1 112 112 PHE N N 112 117.560 117.560 121.891 -4.331 25502 14714 1 20 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.529 1.185 25502 14715 1 20 . 1 1 112 112 PHE CA C 112 55.447 55.447 55.105 0.342 25502 14716 1 20 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.426 3.574 25502 14717 1 20 . 1 1 112 112 PHE H H 112 8.058 8.058 6.816 1.242 25502 14718 1 20 . 1 1 113 113 PHE N N 113 116.199 116.199 114.288 1.911 25502 14719 1 20 . 1 1 113 113 PHE HA H 113 5.670 5.670 5.127 0.543 25502 14720 1 20 . 1 1 113 113 PHE CA C 113 54.437 54.437 55.781 -1.344 25502 14721 1 20 . 1 1 113 113 PHE CB C 113 42.617 42.617 41.082 1.535 25502 14722 1 20 . 1 1 113 113 PHE H H 113 9.795 9.795 7.472 2.323 25502 14723 1 20 . 1 1 114 114 ILE N N 114 118.391 118.391 121.300 -2.909 25502 14724 1 20 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.310 0.484 25502 14725 1 20 . 1 1 114 114 ILE CA C 114 60.060 60.060 60.983 -0.923 25502 14726 1 20 . 1 1 114 114 ILE CB C 114 40.162 40.162 37.938 2.224 25502 14727 1 20 . 1 1 114 114 ILE H H 114 9.098 9.098 8.534 0.564 25502 14728 1 20 . 1 1 115 115 CYS N N 115 125.271 125.271 128.707 -3.436 25502 14729 1 20 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.372 0.380 25502 14730 1 20 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.380 2.292 25502 14731 1 20 . 1 1 115 115 CYS CB C 115 58.569 58.569 25.367 33.202 25502 14732 1 20 . 1 1 115 115 CYS H H 115 9.597 9.597 8.511 1.086 25502 14733 1 20 . 1 1 116 116 THR N N 116 115.478 115.478 116.118 -0.640 25502 14734 1 20 . 1 1 116 116 THR HA H 116 4.324 4.324 4.121 0.203 25502 14735 1 20 . 1 1 116 116 THR CA C 116 60.720 60.720 63.372 -2.652 25502 14736 1 20 . 1 1 116 116 THR CB C 116 66.502 66.502 68.661 -2.159 25502 14737 1 20 . 1 1 116 116 THR H H 116 8.947 8.947 8.350 0.597 25502 14738 1 20 . 1 1 117 117 ALA N N 117 121.996 121.996 123.012 -1.016 25502 14739 1 20 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.491 -0.133 25502 14740 1 20 . 1 1 117 117 ALA CA C 117 50.511 50.511 50.790 -0.279 25502 14741 1 20 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.409 1.199 25502 14742 1 20 . 1 1 117 117 ALA H H 117 7.602 7.602 7.324 0.278 25502 14743 1 20 . 1 1 118 118 LYS N N 118 119.550 119.550 121.285 -1.735 25502 14744 1 20 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.939 -0.160 25502 14745 1 20 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.188 0.476 25502 14746 1 20 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.274 1.225 25502 14747 1 20 . 1 1 118 118 LYS H H 118 8.690 8.690 8.525 0.165 25502 14748 1 20 . 1 1 119 119 THR N N 119 118.759 118.759 117.172 1.587 25502 14749 1 20 . 1 1 119 119 THR HA H 119 3.623 3.623 1.838 1.785 25502 14750 1 20 . 1 1 119 119 THR CA C 119 57.088 57.088 58.368 -1.280 25502 14751 1 20 . 1 1 119 119 THR H H 119 7.328 7.328 7.635 -0.307 25502 14752 1 20 . 1 1 120 120 GLU N N 120 124.407 124.407 121.944 2.463 25502 14753 1 20 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.987 0.133 25502 14754 1 20 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.374 0.698 25502 14755 1 20 . 1 1 120 120 GLU H H 120 9.092 9.092 7.245 1.847 25502 14756 1 20 . 1 1 121 121 TRP N N 121 117.495 117.495 119.247 -1.752 25502 14757 1 20 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.411 0.242 25502 14758 1 20 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.079 1.382 25502 14759 1 20 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.326 -1.576 25502 14760 1 20 . 1 1 121 121 TRP H H 121 7.251 7.251 7.460 -0.209 25502 14761 1 20 . 1 1 122 122 LEU N N 122 119.528 119.528 120.417 -0.889 25502 14762 1 20 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.034 0.217 25502 14763 1 20 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.659 -2.159 25502 14764 1 20 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.607 -2.708 25502 14765 1 20 . 1 1 122 122 LEU H H 122 7.019 7.019 6.977 0.042 25502 14766 1 20 . 1 1 123 123 ASP N N 123 121.832 121.832 117.512 4.320 25502 14767 1 20 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.325 0.840 25502 14768 1 20 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.160 0.696 25502 14769 1 20 . 1 1 123 123 ASP CB C 123 39.372 39.372 39.348 0.024 25502 14770 1 20 . 1 1 123 123 ASP H H 123 7.607 7.607 8.066 -0.459 25502 14771 1 20 . 1 1 124 124 GLY N N 124 110.836 110.836 106.482 4.354 25502 14772 1 20 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.792 -0.769 25502 14773 1 20 . 1 1 124 124 GLY H H 124 9.522 9.522 8.587 0.935 25502 14774 1 20 . 1 1 125 125 LYS N N 125 115.016 115.016 117.788 -2.772 25502 14775 1 20 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.132 -0.023 25502 14776 1 20 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.550 -0.302 25502 14777 1 20 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.392 2.997 25502 14778 1 20 . 1 1 125 125 LYS H H 125 7.727 7.727 8.380 -0.653 25502 14779 1 20 . 1 1 126 126 HIS N N 126 119.223 119.223 113.765 5.458 25502 14780 1 20 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.971 -0.172 25502 14781 1 20 . 1 1 126 126 HIS CA C 126 54.559 54.559 55.174 -0.615 25502 14782 1 20 . 1 1 126 126 HIS H H 126 7.571 7.571 7.627 -0.056 25502 14783 1 20 . 1 1 127 127 VAL N N 127 124.730 124.730 120.871 3.859 25502 14784 1 20 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.432 -0.174 25502 14785 1 20 . 1 1 127 127 VAL CA C 127 63.647 63.647 60.797 2.850 25502 14786 1 20 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.920 -0.505 25502 14787 1 20 . 1 1 127 127 VAL H H 127 8.474 8.474 8.439 0.035 25502 14788 1 20 . 1 1 128 128 VAL N N 128 132.814 132.814 126.017 6.797 25502 14789 1 20 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.569 -0.419 25502 14790 1 20 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.945 -1.576 25502 14791 1 20 . 1 1 128 128 VAL H H 128 9.470 9.470 8.628 0.842 25502 14792 1 20 . 1 1 129 129 PHE N N 129 117.478 117.478 121.390 -3.912 25502 14793 1 20 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.962 0.291 25502 14794 1 20 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.527 -0.620 25502 14795 1 20 . 1 1 129 129 PHE CB C 129 42.456 42.456 40.143 2.313 25502 14796 1 20 . 1 1 129 129 PHE H H 129 8.086 8.086 7.887 0.199 25502 14797 1 20 . 1 1 130 130 GLY N N 130 110.497 110.497 107.796 2.701 25502 14798 1 20 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.248 1.146 25502 14799 1 20 . 1 1 130 130 GLY H H 130 7.297 7.297 7.576 -0.279 25502 14800 1 20 . 1 1 131 131 LYS N N 131 115.059 115.059 118.551 -3.492 25502 14801 1 20 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.653 0.554 25502 14802 1 20 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.283 -0.488 25502 14803 1 20 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.421 0.431 25502 14804 1 20 . 1 1 131 131 LYS H H 131 8.353 8.353 8.095 0.258 25502 14805 1 20 . 1 1 132 132 VAL N N 132 123.802 123.802 125.631 -1.829 25502 14806 1 20 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.834 0.054 25502 14807 1 20 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.926 -0.979 25502 14808 1 20 . 1 1 132 132 VAL CB C 132 32.547 32.547 31.278 1.269 25502 14809 1 20 . 1 1 132 132 VAL H H 132 9.015 9.015 8.453 0.562 25502 14810 1 20 . 1 1 133 133 LYS N N 133 131.324 131.324 128.319 3.005 25502 14811 1 20 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.193 0.231 25502 14812 1 20 . 1 1 133 133 LYS CA C 133 56.659 56.659 56.970 -0.311 25502 14813 1 20 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.233 0.634 25502 14814 1 20 . 1 1 133 133 LYS H H 133 9.469 9.469 8.814 0.655 25502 14815 1 20 . 1 1 134 134 GLU N N 134 118.178 118.178 115.717 2.461 25502 14816 1 20 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.421 0.138 25502 14817 1 20 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.826 -0.678 25502 14818 1 20 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.957 -0.221 25502 14819 1 20 . 1 1 134 134 GLU H H 134 7.543 7.543 7.641 -0.098 25502 14820 1 20 . 1 1 135 135 GLY N N 135 107.767 107.767 110.454 -2.687 25502 14821 1 20 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.416 0.451 25502 14822 1 20 . 1 1 135 135 GLY H H 135 8.693 8.693 8.755 -0.062 25502 14823 1 20 . 1 1 136 136 MET N N 136 122.307 122.307 119.475 2.832 25502 14824 1 20 . 1 1 136 136 MET HA H 136 4.437 4.437 4.056 0.381 25502 14825 1 20 . 1 1 136 136 MET CA C 136 56.659 56.659 56.459 0.200 25502 14826 1 20 . 1 1 136 136 MET CB C 136 30.025 30.025 32.002 -1.977 25502 14827 1 20 . 1 1 136 136 MET H H 136 8.790 8.790 8.381 0.409 25502 14828 1 20 . 1 1 137 137 ASN N N 137 114.221 114.221 117.232 -3.011 25502 14829 1 20 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.421 0.029 25502 14830 1 20 . 1 1 137 137 ASN CA C 137 55.926 55.926 56.255 -0.329 25502 14831 1 20 . 1 1 137 137 ASN CB C 137 35.817 35.817 38.206 -2.389 25502 14832 1 20 . 1 1 137 137 ASN H H 137 8.849 8.849 8.484 0.365 25502 14833 1 20 . 1 1 138 138 ILE N N 138 123.949 123.949 118.677 5.272 25502 14834 1 20 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.863 -0.113 25502 14835 1 20 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.105 -1.774 25502 14836 1 20 . 1 1 138 138 ILE CB C 138 34.340 34.340 37.048 -2.708 25502 14837 1 20 . 1 1 138 138 ILE H H 138 7.642 7.642 7.604 0.038 25502 14838 1 20 . 1 1 139 139 VAL N N 139 121.654 121.654 118.087 3.567 25502 14839 1 20 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.651 0.193 25502 14840 1 20 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.430 -0.399 25502 14841 1 20 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.335 -0.359 25502 14842 1 20 . 1 1 139 139 VAL H H 139 7.244 7.244 7.750 -0.506 25502 14843 1 20 . 1 1 140 140 GLU N N 140 117.078 117.078 118.712 -1.634 25502 14844 1 20 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.096 -0.053 25502 14845 1 20 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.684 0.478 25502 14846 1 20 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.314 0.105 25502 14847 1 20 . 1 1 140 140 GLU H H 140 8.291 8.291 7.437 0.854 25502 14848 1 20 . 1 1 141 141 ALA N N 141 120.813 120.813 122.724 -1.911 25502 14849 1 20 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.136 -0.075 25502 14850 1 20 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.755 -0.026 25502 14851 1 20 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.404 -0.388 25502 14852 1 20 . 1 1 141 141 ALA H H 141 7.495 7.495 7.626 -0.131 25502 14853 1 20 . 1 1 142 142 MET N N 142 117.301 117.301 117.797 -0.496 25502 14854 1 20 . 1 1 142 142 MET HA H 142 3.938 3.938 4.269 -0.331 25502 14855 1 20 . 1 1 142 142 MET CA C 142 59.610 59.610 59.387 0.223 25502 14856 1 20 . 1 1 142 142 MET CB C 142 33.678 33.678 32.443 1.235 25502 14857 1 20 . 1 1 142 142 MET H H 142 8.259 8.259 7.898 0.361 25502 14858 1 20 . 1 1 143 143 GLU N N 143 116.052 116.052 118.432 -2.380 25502 14859 1 20 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.079 -0.363 25502 14860 1 20 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.220 -0.038 25502 14861 1 20 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.948 1.323 25502 14862 1 20 . 1 1 143 143 GLU H H 143 7.832 7.832 7.947 -0.115 25502 14863 1 20 . 1 1 144 144 ARG N N 144 114.357 114.357 119.407 -5.050 25502 14864 1 20 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.028 -0.106 25502 14865 1 20 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.949 -0.407 25502 14866 1 20 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.335 -0.032 25502 14867 1 20 . 1 1 144 144 ARG H H 144 7.034 7.034 7.370 -0.336 25502 14868 1 20 . 1 1 145 145 PHE N N 145 115.146 115.146 117.674 -2.528 25502 14869 1 20 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.755 0.038 25502 14870 1 20 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.264 0.350 25502 14871 1 20 . 1 1 145 145 PHE CB C 145 38.913 38.913 38.744 0.169 25502 14872 1 20 . 1 1 145 145 PHE H H 145 7.624 7.624 7.910 -0.286 25502 14873 1 20 . 1 1 146 146 GLY N N 146 104.498 104.498 106.969 -2.471 25502 14874 1 20 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.507 0.642 25502 14875 1 20 . 1 1 146 146 GLY H H 146 7.514 7.514 7.599 -0.085 25502 14876 1 20 . 1 1 147 147 SER N N 147 109.815 109.815 114.544 -4.729 25502 14877 1 20 . 1 1 147 147 SER HA H 147 4.755 4.755 4.713 0.042 25502 14878 1 20 . 1 1 147 147 SER CA C 147 58.033 58.033 56.041 1.992 25502 14879 1 20 . 1 1 147 147 SER H H 147 8.190 8.190 8.186 0.004 25502 14880 1 20 . 1 1 148 148 ARG N N 148 119.789 119.789 125.708 -5.919 25502 14881 1 20 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.294 -0.127 25502 14882 1 20 . 1 1 148 148 ARG CA C 148 59.491 59.491 56.933 2.558 25502 14883 1 20 . 1 1 148 148 ARG CB C 148 29.662 29.662 27.893 1.769 25502 14884 1 20 . 1 1 148 148 ARG H H 148 8.795 8.795 8.821 -0.026 25502 14885 1 20 . 1 1 149 149 ASN N N 149 111.378 111.378 119.068 -7.690 25502 14886 1 20 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.730 0.104 25502 14887 1 20 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.428 -1.308 25502 14888 1 20 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.984 -1.744 25502 14889 1 20 . 1 1 149 149 ASN H H 149 7.841 7.841 8.521 -0.680 25502 14890 1 20 . 1 1 150 150 GLY N N 150 109.893 109.893 108.919 0.974 25502 14891 1 20 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.681 -0.784 25502 14892 1 20 . 1 1 150 150 GLY H H 150 8.040 8.040 7.793 0.247 25502 14893 1 20 . 1 1 151 151 LYS N N 151 119.608 119.608 123.524 -3.916 25502 14894 1 20 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.491 -0.086 25502 14895 1 20 . 1 1 151 151 LYS CA C 151 57.045 57.045 56.853 0.192 25502 14896 1 20 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.288 -1.019 25502 14897 1 20 . 1 1 151 151 LYS H H 151 7.525 7.525 8.051 -0.526 25502 14898 1 20 . 1 1 152 152 THR N N 152 116.317 116.317 111.433 4.884 25502 14899 1 20 . 1 1 152 152 THR HA H 152 5.532 5.532 4.676 0.856 25502 14900 1 20 . 1 1 152 152 THR CA C 152 59.953 59.953 60.136 -0.183 25502 14901 1 20 . 1 1 152 152 THR CB C 152 71.108 71.108 71.462 -0.354 25502 14902 1 20 . 1 1 152 152 THR H H 152 8.823 8.823 8.367 0.456 25502 14903 1 20 . 1 1 153 153 SER N N 153 116.804 116.804 115.671 1.133 25502 14904 1 20 . 1 1 153 153 SER HA H 153 4.456 4.456 4.574 -0.118 25502 14905 1 20 . 1 1 153 153 SER CA C 153 58.712 58.712 59.733 -1.021 25502 14906 1 20 . 1 1 153 153 SER CB C 153 63.477 63.477 63.794 -0.316 25502 14907 1 20 . 1 1 153 153 SER H H 153 9.412 9.412 8.715 0.697 25502 14908 1 20 . 1 1 154 154 LYS N N 154 119.068 119.068 122.974 -3.906 25502 14909 1 20 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.152 0.380 25502 14910 1 20 . 1 1 154 154 LYS CA C 154 54.400 54.400 56.847 -2.447 25502 14911 1 20 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.152 5.254 25502 14912 1 20 . 1 1 154 154 LYS H H 154 7.527 7.527 8.194 -0.667 25502 14913 1 20 . 1 1 155 155 LYS N N 155 121.541 121.541 121.605 -0.064 25502 14914 1 20 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.595 -0.282 25502 14915 1 20 . 1 1 155 155 LYS CA C 155 56.147 56.147 54.969 1.178 25502 14916 1 20 . 1 1 155 155 LYS CB C 155 31.988 31.988 33.172 -1.184 25502 14917 1 20 . 1 1 155 155 LYS H H 155 8.791 8.791 8.355 0.436 25502 14918 1 20 . 1 1 156 156 ILE N N 156 133.980 133.980 129.946 4.034 25502 14919 1 20 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.072 0.021 25502 14920 1 20 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.807 -1.543 25502 14921 1 20 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.092 -1.252 25502 14922 1 20 . 1 1 156 156 ILE H H 156 9.606 9.606 8.941 0.665 25502 14923 1 20 . 1 1 157 157 THR N N 157 116.977 116.977 121.170 -4.193 25502 14924 1 20 . 1 1 157 157 THR HA H 157 5.274 5.274 5.022 0.252 25502 14925 1 20 . 1 1 157 157 THR CA C 157 59.475 59.475 60.545 -1.070 25502 14926 1 20 . 1 1 157 157 THR CB C 157 72.475 72.475 72.324 0.151 25502 14927 1 20 . 1 1 157 157 THR H H 157 9.233 9.233 8.688 0.545 25502 14928 1 20 . 1 1 158 158 ILE N N 158 121.529 121.529 120.323 1.206 25502 14929 1 20 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.969 -0.727 25502 14930 1 20 . 1 1 158 158 ILE CA C 158 60.868 60.868 60.355 0.513 25502 14931 1 20 . 1 1 158 158 ILE CB C 158 36.790 36.790 39.184 -2.394 25502 14932 1 20 . 1 1 158 158 ILE H H 158 8.580 8.580 8.940 -0.360 25502 14933 1 20 . 1 1 159 159 ALA N N 159 132.313 132.313 131.643 0.670 25502 14934 1 20 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.407 -0.283 25502 14935 1 20 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.329 0.744 25502 14936 1 20 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.803 -0.790 25502 14937 1 20 . 1 1 159 159 ALA H H 159 8.873 8.873 8.970 -0.097 25502 14938 1 20 . 1 1 160 160 ASP N N 160 111.257 111.257 116.386 -5.129 25502 14939 1 20 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.865 0.025 25502 14940 1 20 . 1 1 160 160 ASP CA C 160 52.639 52.639 52.915 -0.276 25502 14941 1 20 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.994 -0.407 25502 14942 1 20 . 1 1 160 160 ASP H H 160 8.066 8.066 8.004 0.062 25502 14943 1 20 . 1 1 161 161 CYS N N 161 115.837 115.837 117.682 -1.845 25502 14944 1 20 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.523 1.021 25502 14945 1 20 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.299 -0.151 25502 14946 1 20 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.293 0.844 25502 14947 1 20 . 1 1 161 161 CYS H H 161 8.591 8.591 8.275 0.316 25502 14948 1 20 . 1 1 162 162 GLY N N 162 103.888 103.888 107.677 -3.789 25502 14949 1 20 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.745 0.605 25502 14950 1 20 . 1 1 162 162 GLY H H 162 6.844 6.844 6.775 0.069 25502 14951 1 20 . 1 1 163 163 GLN N N 163 120.718 120.718 120.559 0.159 25502 14952 1 20 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.659 0.410 25502 14953 1 20 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.806 -1.997 25502 14954 1 20 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.462 1.128 25502 14955 1 20 . 1 1 163 163 GLN H H 163 9.066 9.066 8.468 0.598 25502 14956 1 20 . 1 1 164 164 LEU N N 164 125.816 125.816 126.424 -0.608 25502 14957 1 20 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.448 0.159 25502 14958 1 20 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.044 -1.305 25502 14959 1 20 . 1 1 164 164 LEU CB C 164 43.362 43.362 42.063 1.299 25502 14960 1 20 . 1 1 164 164 LEU H H 164 8.593 8.593 9.090 -0.497 25502 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 155 3.351 0.465 3.330 25502 2 1 1 "Average Difference" HA 186 0.518 -0.130 0.503 25502 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25502 4 1 1 "Average Difference" CA 162 2.552 0.533 2.503 25502 5 1 1 "Average Difference" CB 136 9.457 -0.568 9.474 25502 6 1 1 "Average Difference" HN 155 0.830 -0.253 0.793 25502 7 1 2 "Average Difference" N 155 3.429 0.368 3.420 25502 8 1 2 "Average Difference" HA 186 0.508 -0.117 0.496 25502 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25502 10 1 2 "Average Difference" CA 162 2.552 0.540 2.502 25502 11 1 2 "Average Difference" CB 136 9.467 -0.579 9.484 25502 12 1 2 "Average Difference" HN 155 0.780 -0.224 0.750 25502 13 1 3 "Average Difference" N 155 3.309 0.401 3.295 25502 14 1 3 "Average Difference" HA 186 0.513 -0.134 0.496 25502 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25502 16 1 3 "Average Difference" CA 162 2.542 0.479 2.505 25502 17 1 3 "Average Difference" CB 136 9.474 -0.616 9.488 25502 18 1 3 "Average Difference" HN 155 0.807 -0.258 0.768 25502 19 1 4 "Average Difference" N 155 3.420 0.418 3.406 25502 20 1 4 "Average Difference" HA 186 0.508 -0.115 0.496 25502 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25502 22 1 4 "Average Difference" CA 162 2.542 0.426 2.514 25502 23 1 4 "Average Difference" CB 136 9.498 -0.628 9.512 25502 24 1 4 "Average Difference" HN 155 0.809 -0.235 0.777 25502 25 1 5 "Average Difference" N 155 3.488 0.411 3.475 25502 26 1 5 "Average Difference" HA 186 0.481 -0.107 0.470 25502 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25502 28 1 5 "Average Difference" CA 162 2.651 0.483 2.615 25502 29 1 5 "Average Difference" CB 136 9.627 -0.598 9.644 25502 30 1 5 "Average Difference" HN 155 0.751 -0.220 0.721 25502 31 1 6 "Average Difference" N 155 3.349 0.105 3.359 25502 32 1 6 "Average Difference" HA 186 0.510 -0.145 0.490 25502 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25502 34 1 6 "Average Difference" CA 162 2.643 0.508 2.601 25502 35 1 6 "Average Difference" CB 136 9.432 -0.528 9.452 25502 36 1 6 "Average Difference" HN 155 0.755 -0.254 0.713 25502 37 1 7 "Average Difference" N 155 3.335 0.582 3.295 25502 38 1 7 "Average Difference" HA 186 0.503 -0.127 0.488 25502 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25502 40 1 7 "Average Difference" CA 162 2.616 0.552 2.565 25502 41 1 7 "Average Difference" CB 136 9.567 -0.590 9.584 25502 42 1 7 "Average Difference" HN 155 0.787 -0.249 0.749 25502 43 1 8 "Average Difference" N 155 3.589 0.397 3.579 25502 44 1 8 "Average Difference" HA 186 0.530 -0.089 0.524 25502 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25502 46 1 8 "Average Difference" CA 162 2.605 0.457 2.573 25502 47 1 8 "Average Difference" CB 136 9.440 -0.674 9.451 25502 48 1 8 "Average Difference" HN 155 0.826 -0.252 0.789 25502 49 1 9 "Average Difference" N 155 3.337 0.335 3.331 25502 50 1 9 "Average Difference" HA 186 0.493 -0.101 0.484 25502 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25502 52 1 9 "Average Difference" CA 162 2.547 0.524 2.500 25502 53 1 9 "Average Difference" CB 136 9.542 -0.558 9.561 25502 54 1 9 "Average Difference" HN 155 0.771 -0.239 0.735 25502 55 1 10 "Average Difference" N 155 3.485 0.275 3.485 25502 56 1 10 "Average Difference" HA 186 0.483 -0.115 0.471 25502 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25502 58 1 10 "Average Difference" CA 162 2.590 0.488 2.552 25502 59 1 10 "Average Difference" CB 136 9.562 -0.549 9.581 25502 60 1 10 "Average Difference" HN 155 0.809 -0.273 0.764 25502 61 1 11 "Average Difference" N 155 3.448 0.361 3.440 25502 62 1 11 "Average Difference" HA 186 0.522 -0.137 0.505 25502 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25502 64 1 11 "Average Difference" CA 162 2.558 0.441 2.528 25502 65 1 11 "Average Difference" CB 136 9.511 -0.655 9.523 25502 66 1 11 "Average Difference" HN 155 0.786 -0.240 0.751 25502 67 1 12 "Average Difference" N 155 3.459 0.284 3.459 25502 68 1 12 "Average Difference" HA 186 0.508 -0.091 0.501 25502 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25502 70 1 12 "Average Difference" CA 162 2.558 0.427 2.530 25502 71 1 12 "Average Difference" CB 136 9.609 -0.621 9.625 25502 72 1 12 "Average Difference" HN 155 0.780 -0.256 0.739 25502 73 1 13 "Average Difference" N 155 3.638 0.366 3.631 25502 74 1 13 "Average Difference" HA 186 0.520 -0.119 0.508 25502 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25502 76 1 13 "Average Difference" CA 162 2.605 0.593 2.544 25502 77 1 13 "Average Difference" CB 136 9.478 -0.626 9.493 25502 78 1 13 "Average Difference" HN 155 0.780 -0.233 0.747 25502 79 1 14 "Average Difference" N 155 3.385 0.215 3.389 25502 80 1 14 "Average Difference" HA 186 0.492 -0.114 0.480 25502 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25502 82 1 14 "Average Difference" CA 162 2.612 0.497 2.572 25502 83 1 14 "Average Difference" CB 136 9.519 -0.560 9.538 25502 84 1 14 "Average Difference" HN 155 0.761 -0.240 0.724 25502 85 1 15 "Average Difference" N 155 3.437 0.408 3.423 25502 86 1 15 "Average Difference" HA 186 0.522 -0.139 0.504 25502 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25502 88 1 15 "Average Difference" CA 162 2.559 0.505 2.517 25502 89 1 15 "Average Difference" CB 136 9.473 -0.578 9.490 25502 90 1 15 "Average Difference" HN 155 0.781 -0.230 0.749 25502 91 1 16 "Average Difference" N 155 3.210 0.366 3.199 25502 92 1 16 "Average Difference" HA 186 0.518 -0.140 0.500 25502 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25502 94 1 16 "Average Difference" CA 162 2.583 0.554 2.531 25502 95 1 16 "Average Difference" CB 136 9.577 -0.685 9.588 25502 96 1 16 "Average Difference" HN 155 0.788 -0.225 0.758 25502 97 1 17 "Average Difference" N 155 3.239 0.404 3.224 25502 98 1 17 "Average Difference" HA 186 0.519 -0.145 0.500 25502 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25502 100 1 17 "Average Difference" CA 162 2.510 0.398 2.486 25502 101 1 17 "Average Difference" CB 136 9.595 -0.641 9.609 25502 102 1 17 "Average Difference" HN 155 0.771 -0.283 0.720 25502 103 1 18 "Average Difference" N 155 3.297 0.217 3.301 25502 104 1 18 "Average Difference" HA 186 0.521 -0.133 0.505 25502 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25502 106 1 18 "Average Difference" CA 162 2.588 0.463 2.554 25502 107 1 18 "Average Difference" CB 136 9.485 -0.608 9.500 25502 108 1 18 "Average Difference" HN 155 0.763 -0.222 0.733 25502 109 1 19 "Average Difference" N 155 3.347 0.320 3.342 25502 110 1 19 "Average Difference" HA 186 0.521 -0.142 0.503 25502 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25502 112 1 19 "Average Difference" CA 162 2.561 0.523 2.514 25502 113 1 19 "Average Difference" CB 136 9.452 -0.659 9.464 25502 114 1 19 "Average Difference" HN 155 0.796 -0.232 0.764 25502 115 1 20 "Average Difference" N 155 3.528 0.510 3.502 25502 116 1 20 "Average Difference" HA 186 0.487 -0.123 0.473 25502 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25502 118 1 20 "Average Difference" CA 162 2.545 0.481 2.507 25502 119 1 20 "Average Difference" CB 136 9.521 -0.562 9.540 25502 120 1 20 "Average Difference" HN 155 0.797 -0.278 0.749 25502 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 25502 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL HA H 2 4.176 4.176 4.301 -0.125 25502 2 1 . 1 1 2 2 VAL CA C 2 61.492 61.492 62.377 -0.886 25502 3 1 . 1 1 2 2 VAL CB C 2 33.126 33.126 33.414 -0.288 25502 4 1 . 1 1 3 3 ASN N N 3 126.515 126.515 124.479 2.036 25502 5 1 . 1 1 3 3 ASN HA H 3 5.137 5.137 5.099 0.038 25502 6 1 . 1 1 3 3 ASN CA C 3 51.008 51.008 51.351 -0.343 25502 7 1 . 1 1 3 3 ASN CB C 3 37.799 37.799 39.660 -1.860 25502 8 1 . 1 1 3 3 ASN H H 3 8.600 8.600 8.447 0.153 25502 9 1 . 1 1 4 4 PRO HA H 4 4.753 4.753 4.484 0.269 25502 10 1 . 1 1 4 4 PRO CA C 4 62.669 62.669 62.862 -0.193 25502 11 1 . 1 1 4 4 PRO CB C 4 33.138 33.138 32.645 0.493 25502 12 1 . 1 1 5 5 THR N N 5 114.826 114.826 116.498 -1.672 25502 13 1 . 1 1 5 5 THR HA H 5 5.716 5.716 4.946 0.770 25502 14 1 . 1 1 5 5 THR CA C 5 60.698 60.698 61.429 -0.731 25502 15 1 . 1 1 5 5 THR CB C 5 41.142 41.142 71.786 -30.644 25502 16 1 . 1 1 5 5 THR H H 5 8.771 8.771 8.146 0.625 25502 17 1 . 1 1 6 6 VAL N N 6 120.113 120.113 122.670 -2.557 25502 18 1 . 1 1 6 6 VAL HA H 6 5.339 5.339 5.315 0.024 25502 19 1 . 1 1 6 6 VAL CA C 6 58.797 58.797 59.067 -0.270 25502 20 1 . 1 1 6 6 VAL CB C 6 36.135 36.135 35.313 0.822 25502 21 1 . 1 1 6 6 VAL H H 6 8.741 8.741 8.327 0.414 25502 22 1 . 1 1 7 7 PHE N N 7 118.968 118.968 120.625 -1.657 25502 23 1 . 1 1 7 7 PHE HA H 7 5.895 5.895 5.168 0.727 25502 24 1 . 1 1 7 7 PHE CA C 7 55.688 55.688 55.375 0.313 25502 25 1 . 1 1 7 7 PHE CB C 7 43.043 43.043 41.922 1.121 25502 26 1 . 1 1 7 7 PHE H H 7 8.954 8.954 8.052 0.902 25502 27 1 . 1 1 8 8 PHE N N 8 116.774 116.774 119.475 -2.701 25502 28 1 . 1 1 8 8 PHE HA H 8 5.317 5.317 4.649 0.668 25502 29 1 . 1 1 8 8 PHE CA C 8 53.423 53.423 57.259 -3.836 25502 30 1 . 1 1 8 8 PHE CB C 8 42.870 42.870 41.475 1.395 25502 31 1 . 1 1 8 8 PHE H H 8 9.540 9.540 8.466 1.074 25502 32 1 . 1 1 9 9 ASP N N 9 123.959 123.959 125.017 -1.058 25502 33 1 . 1 1 9 9 ASP HA H 9 5.533 5.533 4.679 0.854 25502 34 1 . 1 1 9 9 ASP CA C 9 54.765 54.765 55.411 -0.646 25502 35 1 . 1 1 9 9 ASP CB C 9 41.313 41.313 41.393 -0.080 25502 36 1 . 1 1 9 9 ASP H H 9 9.266 9.266 8.870 0.396 25502 37 1 . 1 1 10 10 ILE N N 10 124.122 124.122 125.725 -1.603 25502 38 1 . 1 1 10 10 ILE HA H 10 5.172 5.172 4.507 0.665 25502 39 1 . 1 1 10 10 ILE CA C 10 58.159 58.159 60.283 -2.124 25502 40 1 . 1 1 10 10 ILE CB C 10 37.703 37.703 37.240 0.463 25502 41 1 . 1 1 10 10 ILE H H 10 9.030 9.030 8.040 0.990 25502 42 1 . 1 1 11 11 ALA N N 11 132.244 132.244 130.712 1.532 25502 43 1 . 1 1 11 11 ALA HA H 11 5.165 5.165 4.935 0.231 25502 44 1 . 1 1 11 11 ALA CA C 11 50.664 50.664 50.250 0.414 25502 45 1 . 1 1 11 11 ALA CB C 11 52.561 52.561 22.648 29.913 25502 46 1 . 1 1 11 11 ALA H H 11 9.603 9.603 9.156 0.447 25502 47 1 . 1 1 12 12 VAL N N 12 118.199 118.199 121.844 -3.645 25502 48 1 . 1 1 12 12 VAL HA H 12 4.511 4.511 4.706 -0.195 25502 49 1 . 1 1 12 12 VAL CA C 12 60.426 60.426 61.035 -0.609 25502 50 1 . 1 1 12 12 VAL CB C 12 33.181 33.181 32.711 0.470 25502 51 1 . 1 1 12 12 VAL H H 12 8.943 8.943 8.763 0.180 25502 52 1 . 1 1 13 13 ASP N N 13 130.748 130.748 128.866 1.882 25502 53 1 . 1 1 13 13 ASP HA H 13 4.320 4.320 4.278 0.042 25502 54 1 . 1 1 13 13 ASP CA C 13 55.826 55.826 55.553 0.273 25502 55 1 . 1 1 13 13 ASP CB C 13 39.835 39.835 40.111 -0.276 25502 56 1 . 1 1 13 13 ASP H H 13 9.846 9.846 8.965 0.881 25502 57 1 . 1 1 14 14 GLY N N 14 101.493 101.493 103.816 -2.323 25502 58 1 . 1 1 14 14 GLY CA C 14 45.082 45.082 45.024 0.058 25502 59 1 . 1 1 14 14 GLY H H 14 8.558 8.558 8.637 -0.079 25502 60 1 . 1 1 15 15 GLU N N 15 123.014 123.014 123.152 -0.138 25502 61 1 . 1 1 15 15 GLU HA H 15 4.836 4.836 4.698 0.138 25502 62 1 . 1 1 15 15 GLU CA C 15 52.753 52.753 52.826 -0.073 25502 63 1 . 1 1 15 15 GLU CB C 15 30.236 30.236 30.121 0.115 25502 64 1 . 1 1 15 15 GLU H H 15 8.046 8.046 7.663 0.383 25502 65 1 . 1 1 16 16 PRO HA H 16 4.176 4.176 4.654 -0.478 25502 66 1 . 1 1 16 16 PRO CA C 16 64.546 64.546 62.946 1.601 25502 67 1 . 1 1 16 16 PRO CB C 16 62.111 62.111 32.296 29.815 25502 68 1 . 1 1 17 17 LEU N N 17 125.784 125.784 124.032 1.752 25502 69 1 . 1 1 17 17 LEU HA H 17 4.687 4.687 4.121 0.566 25502 70 1 . 1 1 17 17 LEU CA C 17 55.348 55.348 56.613 -1.265 25502 71 1 . 1 1 17 17 LEU CB C 17 44.157 44.157 42.486 1.671 25502 72 1 . 1 1 17 17 LEU H H 17 9.189 9.189 8.700 0.489 25502 73 1 . 1 1 18 18 GLY N N 18 102.200 102.200 104.276 -2.076 25502 74 1 . 1 1 18 18 GLY CA C 18 44.969 44.969 44.828 0.141 25502 75 1 . 1 1 18 18 GLY H H 18 7.256 7.256 7.428 -0.172 25502 76 1 . 1 1 19 19 ARG N N 19 120.995 120.995 122.357 -1.362 25502 77 1 . 1 1 19 19 ARG HA H 19 5.622 5.622 4.768 0.854 25502 78 1 . 1 1 19 19 ARG CA C 19 55.015 55.015 55.021 -0.007 25502 79 1 . 1 1 19 19 ARG CB C 19 33.340 33.340 32.995 0.345 25502 80 1 . 1 1 19 19 ARG H H 19 8.320 8.320 8.323 -0.003 25502 81 1 . 1 1 20 20 VAL N N 20 126.616 126.616 123.967 2.649 25502 82 1 . 1 1 20 20 VAL HA H 20 4.603 4.603 4.807 -0.204 25502 83 1 . 1 1 20 20 VAL CA C 20 59.941 59.941 61.187 -1.246 25502 84 1 . 1 1 20 20 VAL CB C 20 34.883 34.883 33.029 1.854 25502 85 1 . 1 1 20 20 VAL H H 20 9.364 9.364 8.591 0.773 25502 86 1 . 1 1 21 21 SER N N 21 120.061 120.061 120.681 -0.620 25502 87 1 . 1 1 21 21 SER HA H 21 5.515 5.515 5.178 0.337 25502 88 1 . 1 1 21 21 SER CA C 21 55.317 55.317 55.772 -0.455 25502 89 1 . 1 1 21 21 SER CB C 21 36.773 36.773 65.783 -29.010 25502 90 1 . 1 1 21 21 SER H H 21 8.768 8.768 7.870 0.898 25502 91 1 . 1 1 22 22 PHE N N 22 118.878 118.878 117.776 1.102 25502 92 1 . 1 1 22 22 PHE HA H 22 5.237 5.237 5.218 0.019 25502 93 1 . 1 1 22 22 PHE CA C 22 55.688 55.688 56.967 -1.279 25502 94 1 . 1 1 22 22 PHE CB C 22 42.574 42.574 43.135 -0.561 25502 95 1 . 1 1 22 22 PHE H H 22 9.508 9.508 9.117 0.391 25502 96 1 . 1 1 23 23 GLU N N 23 122.926 122.926 123.712 -0.786 25502 97 1 . 1 1 23 23 GLU HA H 23 4.749 4.749 4.539 0.210 25502 98 1 . 1 1 23 23 GLU CA C 23 54.949 54.949 55.056 -0.107 25502 99 1 . 1 1 23 23 GLU CB C 23 31.629 31.629 30.294 1.335 25502 100 1 . 1 1 23 23 GLU H H 23 8.740 8.740 9.019 -0.279 25502 101 1 . 1 1 24 24 LEU N N 24 122.262 122.262 127.867 -5.605 25502 102 1 . 1 1 24 24 LEU HA H 24 4.697 4.697 4.555 0.142 25502 103 1 . 1 1 24 24 LEU CA C 24 51.551 51.551 54.472 -2.921 25502 104 1 . 1 1 24 24 LEU CB C 24 43.120 43.120 42.701 0.419 25502 105 1 . 1 1 24 24 LEU H H 24 8.185 8.185 7.950 0.235 25502 106 1 . 1 1 25 25 PHE N N 25 124.423 124.423 123.824 0.599 25502 107 1 . 1 1 25 25 PHE HA H 25 5.108 5.108 4.653 0.455 25502 108 1 . 1 1 25 25 PHE CA C 25 54.290 54.290 57.235 -2.945 25502 109 1 . 1 1 25 25 PHE CB C 25 35.961 35.961 36.580 -0.619 25502 110 1 . 1 1 25 25 PHE H H 25 8.815 8.815 9.238 -0.423 25502 111 1 . 1 1 26 26 ALA N N 26 128.683 128.683 125.206 3.477 25502 112 1 . 1 1 26 26 ALA HA H 26 3.771 3.771 4.293 -0.522 25502 113 1 . 1 1 26 26 ALA CA C 26 54.286 54.286 54.484 -0.198 25502 114 1 . 1 1 26 26 ALA CB C 26 18.625 18.625 18.488 0.137 25502 115 1 . 1 1 26 26 ALA H H 26 8.433 8.433 8.035 0.398 25502 116 1 . 1 1 27 27 ASP N N 27 114.069 114.069 117.560 -3.491 25502 117 1 . 1 1 27 27 ASP HA H 27 4.243 4.243 4.529 -0.286 25502 118 1 . 1 1 27 27 ASP CA C 27 55.328 55.328 56.476 -1.148 25502 119 1 . 1 1 27 27 ASP CB C 27 38.855 38.855 40.976 -2.121 25502 120 1 . 1 1 27 27 ASP H H 27 9.052 9.052 8.376 0.676 25502 121 1 . 1 1 28 28 LYS N N 28 117.763 117.763 117.280 0.483 25502 122 1 . 1 1 28 28 LYS HA H 28 4.571 4.571 4.467 0.104 25502 123 1 . 1 1 28 28 LYS CA C 28 56.232 56.232 56.907 -0.675 25502 124 1 . 1 1 28 28 LYS CB C 28 35.922 35.922 34.688 1.234 25502 125 1 . 1 1 28 28 LYS H H 28 7.545 7.545 7.955 -0.410 25502 126 1 . 1 1 29 29 VAL N N 29 114.212 114.212 114.953 -0.741 25502 127 1 . 1 1 29 29 VAL HA H 29 4.451 4.451 4.789 -0.338 25502 128 1 . 1 1 29 29 VAL CA C 29 58.089 58.089 58.726 -0.637 25502 129 1 . 1 1 29 29 VAL CB C 29 31.745 31.745 31.280 0.465 25502 130 1 . 1 1 29 29 VAL H H 29 8.368 8.368 8.226 0.142 25502 131 1 . 1 1 30 30 PRO HA H 30 4.395 4.395 4.349 0.046 25502 132 1 . 1 1 30 30 PRO CA C 30 66.083 66.083 65.613 0.470 25502 133 1 . 1 1 30 30 PRO CB C 30 31.304 31.304 32.031 -0.727 25502 134 1 . 1 1 31 31 LYS N N 31 123.500 123.500 118.326 5.174 25502 135 1 . 1 1 31 31 LYS HA H 31 4.007 4.007 4.047 -0.040 25502 136 1 . 1 1 31 31 LYS CA C 31 60.356 60.356 59.026 1.330 25502 137 1 . 1 1 31 31 LYS CB C 31 32.279 32.279 31.615 0.664 25502 138 1 . 1 1 31 31 LYS H H 31 10.663 10.663 8.335 2.328 25502 139 1 . 1 1 32 32 THR N N 32 123.707 123.707 113.422 10.285 25502 140 1 . 1 1 32 32 THR HA H 32 3.988 3.988 3.918 0.070 25502 141 1 . 1 1 32 32 THR CA C 32 37.678 37.678 65.371 -27.693 25502 142 1 . 1 1 32 32 THR CB C 32 38.883 38.883 68.538 -29.655 25502 143 1 . 1 1 32 32 THR H H 32 10.283 10.283 7.513 2.770 25502 144 1 . 1 1 33 33 ALA N N 33 125.366 125.366 124.764 0.602 25502 145 1 . 1 1 33 33 ALA HA H 33 4.037 4.037 4.335 -0.298 25502 146 1 . 1 1 33 33 ALA CA C 33 55.867 55.867 55.409 0.458 25502 147 1 . 1 1 33 33 ALA CB C 33 18.235 18.235 18.334 -0.099 25502 148 1 . 1 1 33 33 ALA H H 33 9.281 9.281 8.412 0.869 25502 149 1 . 1 1 34 34 GLU N N 34 117.040 117.040 118.123 -1.083 25502 150 1 . 1 1 34 34 GLU HA H 34 4.509 4.509 3.931 0.578 25502 151 1 . 1 1 34 34 GLU CA C 34 57.886 57.886 59.846 -1.960 25502 152 1 . 1 1 34 34 GLU CB C 34 57.903 57.903 29.485 28.418 25502 153 1 . 1 1 34 34 GLU H H 34 8.027 8.027 8.494 -0.467 25502 154 1 . 1 1 35 35 ASN N N 35 115.398 115.398 118.225 -2.827 25502 155 1 . 1 1 35 35 ASN HA H 35 4.054 4.054 4.479 -0.425 25502 156 1 . 1 1 35 35 ASN CA C 35 56.631 56.631 56.384 0.247 25502 157 1 . 1 1 35 35 ASN CB C 35 39.465 39.465 38.376 1.089 25502 158 1 . 1 1 35 35 ASN H H 35 7.139 7.139 7.591 -0.452 25502 159 1 . 1 1 36 36 PHE N N 36 117.607 117.607 120.889 -3.282 25502 160 1 . 1 1 36 36 PHE HA H 36 4.109 4.109 4.339 -0.230 25502 161 1 . 1 1 36 36 PHE CA C 36 61.391 61.391 60.666 0.725 25502 162 1 . 1 1 36 36 PHE CB C 36 40.013 40.013 39.182 0.831 25502 163 1 . 1 1 36 36 PHE H H 36 7.012 7.012 7.751 -0.739 25502 164 1 . 1 1 37 37 ARG N N 37 120.804 120.804 120.012 0.792 25502 165 1 . 1 1 37 37 ARG HA H 37 3.632 3.632 3.973 -0.341 25502 166 1 . 1 1 37 37 ARG CA C 37 60.381 60.381 59.426 0.955 25502 167 1 . 1 1 37 37 ARG CB C 37 29.860 29.860 30.199 -0.339 25502 168 1 . 1 1 37 37 ARG H H 37 8.935 8.935 8.826 0.109 25502 169 1 . 1 1 38 38 ALA N N 38 118.869 118.869 122.620 -3.752 25502 170 1 . 1 1 38 38 ALA HA H 38 4.069 4.069 4.126 -0.057 25502 171 1 . 1 1 38 38 ALA CA C 38 54.340 54.340 55.017 -0.676 25502 172 1 . 1 1 38 38 ALA CB C 38 18.235 18.235 18.301 -0.066 25502 173 1 . 1 1 38 38 ALA H H 38 8.687 8.687 8.216 0.471 25502 174 1 . 1 1 39 39 LEU N N 39 120.488 120.488 118.499 1.989 25502 175 1 . 1 1 39 39 LEU HA H 39 3.744 3.744 3.944 -0.200 25502 176 1 . 1 1 39 39 LEU CA C 39 57.115 57.115 57.355 -0.240 25502 177 1 . 1 1 39 39 LEU CB C 39 41.026 41.026 41.976 -0.950 25502 178 1 . 1 1 39 39 LEU H H 39 8.173 8.173 7.823 0.350 25502 179 1 . 1 1 40 40 SER N N 40 118.952 118.952 114.628 4.324 25502 180 1 . 1 1 40 40 SER HA H 40 4.444 4.444 3.878 0.567 25502 181 1 . 1 1 40 40 SER CA C 40 62.334 62.334 61.692 0.642 25502 182 1 . 1 1 40 40 SER CB C 40 62.884 62.884 62.766 0.118 25502 183 1 . 1 1 40 40 SER H H 40 7.900 7.900 8.108 -0.208 25502 184 1 . 1 1 41 41 THR N N 41 108.208 108.208 111.534 -3.326 25502 185 1 . 1 1 41 41 THR HA H 41 4.288 4.288 4.073 0.215 25502 186 1 . 1 1 41 41 THR CA C 41 62.810 62.810 64.357 -1.547 25502 187 1 . 1 1 41 41 THR CB C 41 69.221 69.221 69.278 -0.057 25502 188 1 . 1 1 41 41 THR H H 41 7.974 7.974 8.156 -0.183 25502 189 1 . 1 1 42 42 GLY N N 42 108.122 108.122 109.293 -1.171 25502 190 1 . 1 1 42 42 GLY CA C 42 45.757 45.757 45.380 0.378 25502 191 1 . 1 1 42 42 GLY H H 42 7.582 7.582 7.829 -0.247 25502 192 1 . 1 1 43 43 GLU N N 43 118.454 118.454 121.996 -3.542 25502 193 1 . 1 1 43 43 GLU HA H 43 4.120 4.120 3.964 0.156 25502 194 1 . 1 1 43 43 GLU CA C 43 58.357 58.357 58.463 -0.106 25502 195 1 . 1 1 43 43 GLU CB C 43 29.942 29.942 29.123 0.819 25502 196 1 . 1 1 43 43 GLU H H 43 8.009 8.009 7.817 0.192 25502 197 1 . 1 1 44 44 LYS N N 44 118.055 118.055 119.146 -1.091 25502 198 1 . 1 1 44 44 LYS HA H 44 4.281 4.281 3.997 0.284 25502 199 1 . 1 1 44 44 LYS CA C 44 54.120 54.120 57.120 -3.000 25502 200 1 . 1 1 44 44 LYS CB C 44 30.296 30.296 32.449 -2.153 25502 201 1 . 1 1 44 44 LYS H H 44 9.102 9.102 7.694 1.408 25502 202 1 . 1 1 45 45 GLY N N 45 105.305 105.305 105.658 -0.353 25502 203 1 . 1 1 45 45 GLY CA C 45 44.531 44.531 45.238 -0.707 25502 204 1 . 1 1 45 45 GLY H H 45 7.939 7.939 8.175 -0.236 25502 205 1 . 1 1 46 46 PHE N N 46 113.461 113.461 116.099 -2.638 25502 206 1 . 1 1 46 46 PHE HA H 46 4.624 4.624 4.822 -0.198 25502 207 1 . 1 1 46 46 PHE CA C 46 53.881 53.881 56.186 -2.304 25502 208 1 . 1 1 46 46 PHE CB C 46 39.468 39.468 39.257 0.211 25502 209 1 . 1 1 46 46 PHE H H 46 6.413 6.413 7.444 -1.031 25502 210 1 . 1 1 47 47 GLY N N 47 104.416 104.416 107.781 -3.365 25502 211 1 . 1 1 47 47 GLY CA C 47 45.458 45.458 45.082 0.376 25502 212 1 . 1 1 47 47 GLY H H 47 7.686 7.686 8.037 -0.351 25502 213 1 . 1 1 48 48 TYR N N 48 113.530 113.530 119.211 -5.681 25502 214 1 . 1 1 48 48 TYR HA H 48 4.208 4.208 4.421 -0.213 25502 215 1 . 1 1 48 48 TYR CA C 48 57.039 57.039 56.899 0.141 25502 216 1 . 1 1 48 48 TYR CB C 48 38.419 38.419 38.788 -0.369 25502 217 1 . 1 1 48 48 TYR H H 48 6.887 6.887 8.155 -1.268 25502 218 1 . 1 1 49 49 LYS N N 49 124.631 124.631 123.403 1.228 25502 219 1 . 1 1 49 49 LYS HA H 49 3.595 3.595 4.085 -0.490 25502 220 1 . 1 1 49 49 LYS CA C 49 60.882 60.882 56.945 3.937 25502 221 1 . 1 1 49 49 LYS CB C 49 31.168 31.168 31.714 -0.546 25502 222 1 . 1 1 49 49 LYS H H 49 8.474 8.474 7.900 0.574 25502 223 1 . 1 1 50 50 GLY N N 50 117.591 117.591 111.909 5.682 25502 224 1 . 1 1 50 50 GLY CA C 50 45.041 45.041 45.399 -0.358 25502 225 1 . 1 1 50 50 GLY H H 50 9.482 9.482 8.566 0.916 25502 226 1 . 1 1 51 51 SER N N 51 116.156 116.156 115.405 0.751 25502 227 1 . 1 1 51 51 SER HA H 51 4.658 4.658 4.595 0.063 25502 228 1 . 1 1 51 51 SER CA C 51 58.682 58.682 58.748 -0.066 25502 229 1 . 1 1 51 51 SER CB C 51 64.607 64.607 64.410 0.197 25502 230 1 . 1 1 51 51 SER H H 51 8.397 8.397 8.150 0.247 25502 231 1 . 1 1 52 52 CYS N N 52 114.800 114.800 118.170 -3.370 25502 232 1 . 1 1 52 52 CYS HA H 52 5.895 5.895 4.933 0.962 25502 233 1 . 1 1 52 52 CYS CA C 52 55.965 55.965 57.773 -1.808 25502 234 1 . 1 1 52 52 CYS CB C 52 31.719 31.719 29.765 1.954 25502 235 1 . 1 1 52 52 CYS H H 52 9.858 9.858 8.339 1.519 25502 236 1 . 1 1 53 53 PHE N N 53 122.839 122.839 122.101 0.738 25502 237 1 . 1 1 53 53 PHE HA H 53 4.853 4.853 4.770 0.083 25502 238 1 . 1 1 53 53 PHE CA C 53 58.083 58.083 57.760 0.323 25502 239 1 . 1 1 53 53 PHE CB C 53 38.728 38.728 40.288 -1.560 25502 240 1 . 1 1 53 53 PHE H H 53 8.702 8.702 8.523 0.179 25502 241 1 . 1 1 54 54 HIS N N 54 119.944 119.944 121.229 -1.285 25502 242 1 . 1 1 54 54 HIS HA H 54 4.706 4.706 4.825 -0.119 25502 243 1 . 1 1 54 54 HIS CA C 54 56.985 56.985 55.810 1.175 25502 244 1 . 1 1 54 54 HIS CB C 54 31.344 31.344 31.116 0.228 25502 245 1 . 1 1 54 54 HIS H H 54 7.623 7.623 8.460 -0.837 25502 246 1 . 1 1 55 55 ARG N N 55 122.758 122.758 119.916 2.842 25502 247 1 . 1 1 55 55 ARG HA H 55 5.099 5.099 4.649 0.450 25502 248 1 . 1 1 55 55 ARG CA C 55 54.703 54.703 56.075 -1.372 25502 249 1 . 1 1 55 55 ARG CB C 55 33.771 33.771 31.733 2.038 25502 250 1 . 1 1 55 55 ARG H H 55 7.031 7.031 7.910 -0.879 25502 251 1 . 1 1 56 56 ILE N N 56 126.170 126.170 124.210 1.960 25502 252 1 . 1 1 56 56 ILE HA H 56 4.589 4.589 4.416 0.173 25502 253 1 . 1 1 56 56 ILE CA C 56 61.451 61.451 60.970 0.481 25502 254 1 . 1 1 56 56 ILE CB C 56 41.632 41.632 41.452 0.180 25502 255 1 . 1 1 56 56 ILE H H 56 9.166 9.166 8.448 0.718 25502 256 1 . 1 1 57 57 ILE N N 57 127.731 127.731 126.830 0.901 25502 257 1 . 1 1 57 57 ILE HA H 57 5.197 5.197 4.848 0.349 25502 258 1 . 1 1 57 57 ILE CA C 57 57.614 57.614 57.664 -0.050 25502 259 1 . 1 1 57 57 ILE CB C 57 40.015 40.015 39.902 0.113 25502 260 1 . 1 1 57 57 ILE H H 57 8.718 8.718 8.347 0.371 25502 261 1 . 1 1 58 58 PRO HA H 58 4.324 4.324 4.534 -0.210 25502 262 1 . 1 1 58 58 PRO CA C 58 62.949 62.949 63.152 -0.203 25502 263 1 . 1 1 58 58 PRO CB C 58 31.911 31.911 30.060 1.851 25502 264 1 . 1 1 59 59 GLY N N 59 113.877 113.877 109.716 4.160 25502 265 1 . 1 1 59 59 GLY CA C 59 45.178 45.178 45.689 -0.511 25502 266 1 . 1 1 59 59 GLY H H 59 9.679 9.679 8.342 1.337 25502 267 1 . 1 1 60 60 PHE N N 60 118.955 118.955 121.593 -2.638 25502 268 1 . 1 1 60 60 PHE HA H 60 5.093 5.093 4.964 0.129 25502 269 1 . 1 1 60 60 PHE CA C 60 56.745 56.745 58.394 -1.649 25502 270 1 . 1 1 60 60 PHE CB C 60 39.693 39.693 42.723 -3.030 25502 271 1 . 1 1 60 60 PHE H H 60 8.095 8.095 7.924 0.171 25502 272 1 . 1 1 61 61 MET N N 61 110.963 110.963 111.057 -0.094 25502 273 1 . 1 1 61 61 MET HA H 61 5.311 5.311 4.940 0.371 25502 274 1 . 1 1 61 61 MET CA C 61 54.802 54.802 55.350 -0.548 25502 275 1 . 1 1 61 61 MET CB C 61 34.892 34.892 33.788 1.104 25502 276 1 . 1 1 61 61 MET H H 61 8.088 8.088 7.825 0.263 25502 277 1 . 1 1 62 62 CYS N N 62 114.627 114.627 119.058 -4.431 25502 278 1 . 1 1 62 62 CYS HA H 62 4.873 4.873 4.929 -0.056 25502 279 1 . 1 1 62 62 CYS CA C 62 57.335 57.335 57.447 -0.112 25502 280 1 . 1 1 62 62 CYS CB C 62 60.060 60.060 30.231 29.829 25502 281 1 . 1 1 62 62 CYS H H 62 8.474 8.474 8.420 0.054 25502 282 1 . 1 1 63 63 GLN N N 63 126.463 126.463 118.539 7.924 25502 283 1 . 1 1 63 63 GLN HA H 63 5.376 5.376 4.689 0.687 25502 284 1 . 1 1 63 63 GLN CA C 63 54.524 54.524 55.549 -1.025 25502 285 1 . 1 1 63 63 GLN CB C 63 30.400 30.400 32.282 -1.882 25502 286 1 . 1 1 63 63 GLN H H 63 9.651 9.651 8.407 1.244 25502 287 1 . 1 1 64 64 GLY N N 64 110.531 110.531 109.680 0.851 25502 288 1 . 1 1 64 64 GLY CA C 64 44.400 44.400 44.750 -0.350 25502 289 1 . 1 1 64 64 GLY H H 64 7.352 7.352 8.102 -0.750 25502 290 1 . 1 1 65 65 GLY N N 65 105.572 105.572 108.720 -3.148 25502 291 1 . 1 1 65 65 GLY CA C 65 46.425 46.425 44.709 1.716 25502 292 1 . 1 1 65 65 GLY H H 65 9.292 9.292 7.747 1.545 25502 293 1 . 1 1 66 66 ASP N N 66 123.656 123.656 121.061 2.595 25502 294 1 . 1 1 66 66 ASP HA H 66 4.290 4.290 4.669 -0.379 25502 295 1 . 1 1 66 66 ASP CA C 66 51.505 51.505 53.807 -2.302 25502 296 1 . 1 1 66 66 ASP CB C 66 38.702 38.702 42.373 -3.671 25502 297 1 . 1 1 66 66 ASP H H 66 9.910 9.910 8.180 1.730 25502 298 1 . 1 1 67 67 PHE N N 67 115.914 115.914 117.798 -1.884 25502 299 1 . 1 1 67 67 PHE HA H 67 4.597 4.597 4.721 -0.124 25502 300 1 . 1 1 67 67 PHE CA C 67 55.784 55.784 57.577 -1.793 25502 301 1 . 1 1 67 67 PHE CB C 67 39.357 39.357 39.388 -0.031 25502 302 1 . 1 1 67 67 PHE H H 67 6.624 6.624 7.989 -1.365 25502 303 1 . 1 1 68 68 THR N N 68 108.853 108.853 114.309 -5.456 25502 304 1 . 1 1 68 68 THR HA H 68 4.638 4.638 4.237 0.401 25502 305 1 . 1 1 68 68 THR CA C 68 61.621 61.621 62.652 -1.031 25502 306 1 . 1 1 68 68 THR CB C 68 68.789 68.789 69.265 -0.476 25502 307 1 . 1 1 68 68 THR H H 68 7.320 7.320 7.893 -0.573 25502 308 1 . 1 1 69 69 ARG N N 69 121.780 121.780 121.151 0.629 25502 309 1 . 1 1 69 69 ARG HA H 69 4.362 4.362 4.254 0.108 25502 310 1 . 1 1 69 69 ARG CA C 69 55.028 55.028 56.400 -1.372 25502 311 1 . 1 1 69 69 ARG CB C 69 61.533 61.533 30.748 30.785 25502 312 1 . 1 1 69 69 ARG H H 69 8.655 8.655 8.088 0.567 25502 313 1 . 1 1 70 70 HIS N N 70 112.009 112.009 117.592 -5.583 25502 314 1 . 1 1 70 70 HIS HA H 70 4.398 4.398 4.573 -0.175 25502 315 1 . 1 1 70 70 HIS CA C 70 57.135 57.135 56.742 0.393 25502 316 1 . 1 1 70 70 HIS CB C 70 58.434 58.434 29.709 28.725 25502 317 1 . 1 1 70 70 HIS H H 70 6.838 6.838 8.442 -1.604 25502 318 1 . 1 1 71 71 ASN N N 71 112.340 112.340 117.502 -5.162 25502 319 1 . 1 1 71 71 ASN HA H 71 4.595 4.595 4.706 -0.111 25502 320 1 . 1 1 71 71 ASN CA C 71 52.160 52.160 53.507 -1.347 25502 321 1 . 1 1 71 71 ASN CB C 71 38.707 38.707 39.376 -0.669 25502 322 1 . 1 1 71 71 ASN H H 71 7.519 7.519 8.359 -0.840 25502 323 1 . 1 1 72 72 GLY N N 72 110.239 110.239 107.781 2.458 25502 324 1 . 1 1 72 72 GLY CA C 72 44.573 44.573 45.385 -0.812 25502 325 1 . 1 1 72 72 GLY H H 72 9.619 9.619 8.196 1.423 25502 326 1 . 1 1 73 73 THR N N 73 111.802 111.802 113.488 -1.686 25502 327 1 . 1 1 73 73 THR HA H 73 4.487 4.487 4.342 0.145 25502 328 1 . 1 1 73 73 THR CA C 73 62.070 62.070 61.991 0.079 25502 329 1 . 1 1 73 73 THR CB C 73 40.762 40.762 69.097 -28.335 25502 330 1 . 1 1 73 73 THR H H 73 7.930 7.930 7.964 -0.034 25502 331 1 . 1 1 74 74 GLY N N 74 113.668 113.668 109.567 4.101 25502 332 1 . 1 1 74 74 GLY CA C 74 44.908 44.908 44.955 -0.047 25502 333 1 . 1 1 74 74 GLY H H 74 8.669 8.669 7.827 0.842 25502 334 1 . 1 1 75 75 GLY N N 75 108.813 108.813 108.104 0.709 25502 335 1 . 1 1 75 75 GLY CA C 75 43.037 43.037 44.536 -1.498 25502 336 1 . 1 1 75 75 GLY H H 75 8.066 8.066 7.861 0.205 25502 337 1 . 1 1 76 76 LYS N N 76 115.526 115.526 119.958 -4.432 25502 338 1 . 1 1 76 76 LYS HA H 76 4.585 4.585 4.452 0.133 25502 339 1 . 1 1 76 76 LYS CA C 76 55.707 55.707 55.142 0.565 25502 340 1 . 1 1 76 76 LYS CB C 76 34.515 34.515 34.620 -0.105 25502 341 1 . 1 1 76 76 LYS H H 76 6.981 6.981 7.656 -0.675 25502 342 1 . 1 1 77 77 SER N N 77 114.105 114.105 116.246 -2.141 25502 343 1 . 1 1 77 77 SER HA H 77 5.185 5.185 4.651 0.534 25502 344 1 . 1 1 77 77 SER CA C 77 56.816 56.816 58.164 -1.348 25502 345 1 . 1 1 77 77 SER CB C 77 38.963 38.963 63.160 -24.198 25502 346 1 . 1 1 78 78 ILE N N 78 110.963 110.963 116.163 -5.200 25502 347 1 . 1 1 78 78 ILE HA H 78 4.170 4.170 3.990 0.180 25502 348 1 . 1 1 78 78 ILE CA C 78 63.517 63.517 62.412 1.105 25502 349 1 . 1 1 78 78 ILE CB C 78 37.308 37.308 36.995 0.313 25502 350 1 . 1 1 78 78 ILE H H 78 8.557 8.557 8.147 0.410 25502 351 1 . 1 1 79 79 TYR N N 79 120.472 120.472 118.709 1.763 25502 352 1 . 1 1 79 79 TYR HA H 79 4.667 4.667 4.611 0.056 25502 353 1 . 1 1 79 79 TYR CA C 79 56.147 56.147 58.203 -2.056 25502 354 1 . 1 1 79 79 TYR CB C 79 38.725 38.725 39.302 -0.577 25502 355 1 . 1 1 79 79 TYR H H 79 8.007 8.007 7.755 0.252 25502 356 1 . 1 1 80 80 GLY N N 80 106.402 106.402 107.371 -0.969 25502 357 1 . 1 1 80 80 GLY CA C 80 43.748 43.748 45.324 -1.576 25502 358 1 . 1 1 80 80 GLY H H 80 7.115 7.115 7.818 -0.703 25502 359 1 . 1 1 81 81 GLU N N 81 122.838 122.838 120.162 2.676 25502 360 1 . 1 1 81 81 GLU HA H 81 3.946 3.946 4.265 -0.319 25502 361 1 . 1 1 81 81 GLU CA C 81 60.138 60.138 57.856 2.282 25502 362 1 . 1 1 81 81 GLU CB C 81 30.108 30.108 30.654 -0.546 25502 363 1 . 1 1 81 81 GLU H H 81 8.878 8.878 8.614 0.264 25502 364 1 . 1 1 82 82 LYS HA H 82 5.525 5.525 4.297 1.228 25502 365 1 . 1 1 82 82 LYS CA C 82 53.775 53.775 55.599 -1.824 25502 366 1 . 1 1 82 82 LYS CB C 82 36.311 36.311 33.677 2.634 25502 367 1 . 1 1 82 82 LYS H H 82 7.799 7.799 7.562 0.237 25502 368 1 . 1 1 83 83 PHE N N 83 116.432 116.432 115.778 0.654 25502 369 1 . 1 1 83 83 PHE HA H 83 4.945 4.945 4.865 0.080 25502 370 1 . 1 1 83 83 PHE CA C 83 55.737 55.737 55.627 0.110 25502 371 1 . 1 1 83 83 PHE CB C 83 41.294 41.294 40.972 0.321 25502 372 1 . 1 1 83 83 PHE H H 83 9.147 9.147 7.981 1.166 25502 373 1 . 1 1 84 84 GLU N N 84 119.352 119.352 118.919 0.432 25502 374 1 . 1 1 84 84 GLU HA H 84 3.802 3.802 4.241 -0.439 25502 375 1 . 1 1 84 84 GLU CA C 84 56.197 56.197 55.558 0.639 25502 376 1 . 1 1 84 84 GLU CB C 84 29.105 29.105 30.639 -1.534 25502 377 1 . 1 1 84 84 GLU H H 84 9.252 9.252 8.406 0.846 25502 378 1 . 1 1 85 85 ASP N N 85 118.583 118.583 121.201 -2.618 25502 379 1 . 1 1 85 85 ASP HA H 85 4.226 4.226 4.452 -0.226 25502 380 1 . 1 1 85 85 ASP CA C 85 53.974 53.974 55.104 -1.130 25502 381 1 . 1 1 85 85 ASP CB C 85 40.785 40.785 41.749 -0.964 25502 382 1 . 1 1 85 85 ASP H H 85 8.593 8.593 8.465 0.128 25502 383 1 . 1 1 86 86 GLU N N 86 131.488 131.488 124.049 7.439 25502 384 1 . 1 1 86 86 GLU HA H 86 3.795 3.795 4.194 -0.399 25502 385 1 . 1 1 86 86 GLU CA C 86 60.273 60.273 57.526 2.747 25502 386 1 . 1 1 86 86 GLU CB C 86 31.639 31.639 30.864 0.775 25502 387 1 . 1 1 86 86 GLU H H 86 9.461 9.461 8.818 0.643 25502 388 1 . 1 1 87 87 ASN N N 87 106.549 106.549 112.929 -6.380 25502 389 1 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.939 0.191 25502 390 1 . 1 1 87 87 ASN CA C 87 52.589 52.589 51.944 0.645 25502 391 1 . 1 1 87 87 ASN CB C 87 39.349 39.349 39.487 -0.138 25502 392 1 . 1 1 87 87 ASN H H 87 7.044 7.044 7.636 -0.591 25502 393 1 . 1 1 88 88 PHE N N 88 112.731 112.731 115.025 -2.294 25502 394 1 . 1 1 88 88 PHE HA H 88 5.927 5.927 4.918 1.009 25502 395 1 . 1 1 88 88 PHE CA C 88 55.688 55.688 56.150 -0.462 25502 396 1 . 1 1 88 88 PHE CB C 88 38.820 38.820 38.679 0.141 25502 397 1 . 1 1 88 88 PHE H H 88 8.319 8.319 7.992 0.327 25502 398 1 . 1 1 89 89 ILE N N 89 119.556 119.556 120.851 -1.295 25502 399 1 . 1 1 89 89 ILE HA H 89 3.652 3.652 3.837 -0.185 25502 400 1 . 1 1 89 89 ILE CA C 89 64.887 64.887 63.970 0.917 25502 401 1 . 1 1 89 89 ILE CB C 89 38.939 38.939 37.681 1.258 25502 402 1 . 1 1 89 89 ILE H H 89 8.302 8.302 7.894 0.408 25502 403 1 . 1 1 90 90 LEU N N 90 116.951 116.951 120.372 -3.421 25502 404 1 . 1 1 90 90 LEU HA H 90 4.456 4.456 4.340 0.116 25502 405 1 . 1 1 90 90 LEU CA C 90 54.185 54.185 53.343 0.842 25502 406 1 . 1 1 90 90 LEU CB C 90 41.910 41.910 40.848 1.062 25502 407 1 . 1 1 90 90 LEU H H 90 7.746 7.746 7.817 -0.071 25502 408 1 . 1 1 91 91 LYS N N 91 118.722 118.722 121.551 -2.829 25502 409 1 . 1 1 91 91 LYS HA H 91 4.628 4.628 4.143 0.485 25502 410 1 . 1 1 91 91 LYS CA C 91 54.315 54.315 55.626 -1.311 25502 411 1 . 1 1 91 91 LYS CB C 91 34.550 34.550 33.649 0.901 25502 412 1 . 1 1 91 91 LYS H H 91 8.057 8.057 8.018 0.039 25502 413 1 . 1 1 92 92 HIS N N 92 122.221 122.221 120.641 1.580 25502 414 1 . 1 1 92 92 HIS HA H 92 4.342 4.342 4.334 0.008 25502 415 1 . 1 1 92 92 HIS CA C 92 56.756 56.756 56.760 -0.004 25502 416 1 . 1 1 92 92 HIS CB C 92 25.895 25.895 27.931 -2.036 25502 417 1 . 1 1 92 92 HIS H H 92 10.706 10.706 8.305 2.401 25502 418 1 . 1 1 93 93 THR N N 93 110.178 110.178 114.439 -4.261 25502 419 1 . 1 1 93 93 THR HA H 93 4.004 4.004 4.383 -0.379 25502 420 1 . 1 1 93 93 THR CA C 93 63.018 63.018 61.402 1.616 25502 421 1 . 1 1 93 93 THR CB C 93 69.341 69.341 69.551 -0.210 25502 422 1 . 1 1 93 93 THR H H 93 7.261 7.261 7.809 -0.548 25502 423 1 . 1 1 94 94 GLY N N 94 106.990 106.990 109.117 -2.127 25502 424 1 . 1 1 94 94 GLY CA C 94 45.454 45.454 44.092 1.362 25502 425 1 . 1 1 94 94 GLY H H 94 7.489 7.489 7.518 -0.029 25502 426 1 . 1 1 95 95 PRO HA H 95 3.804 3.804 4.475 -0.671 25502 427 1 . 1 1 95 95 PRO CA C 95 62.539 62.539 62.710 -0.171 25502 428 1 . 1 1 95 95 PRO CB C 95 61.952 61.952 32.497 29.455 25502 429 1 . 1 1 96 96 GLY N N 96 109.908 109.908 107.587 2.321 25502 430 1 . 1 1 96 96 GLY CA C 96 44.829 44.829 45.646 -0.817 25502 431 1 . 1 1 96 96 GLY H H 96 9.271 9.271 8.674 0.597 25502 432 1 . 1 1 97 97 ILE N N 97 121.176 121.176 120.507 0.669 25502 433 1 . 1 1 97 97 ILE HA H 97 4.115 4.115 4.385 -0.270 25502 434 1 . 1 1 97 97 ILE CA C 97 59.311 59.311 59.389 -0.078 25502 435 1 . 1 1 97 97 ILE CB C 97 37.758 37.758 38.653 -0.895 25502 436 1 . 1 1 97 97 ILE H H 97 6.765 6.765 7.371 -0.606 25502 437 1 . 1 1 98 98 LEU N N 98 128.477 128.477 126.936 1.541 25502 438 1 . 1 1 98 98 LEU HA H 98 4.998 4.998 4.738 0.260 25502 439 1 . 1 1 98 98 LEU CA C 98 53.233 53.233 53.397 -0.164 25502 440 1 . 1 1 98 98 LEU CB C 98 43.625 43.625 44.636 -1.011 25502 441 1 . 1 1 98 98 LEU H H 98 7.872 7.872 8.280 -0.407 25502 442 1 . 1 1 99 99 SER N N 99 118.325 118.325 115.160 3.165 25502 443 1 . 1 1 99 99 SER HA H 99 5.316 5.316 4.984 0.332 25502 444 1 . 1 1 99 99 SER CA C 99 54.909 54.909 57.035 -2.126 25502 445 1 . 1 1 99 99 SER CB C 99 65.380 65.380 65.504 -0.124 25502 446 1 . 1 1 99 99 SER H H 99 8.285 8.285 8.086 0.199 25502 447 1 . 1 1 100 100 MET N N 100 122.826 122.826 120.968 1.858 25502 448 1 . 1 1 100 100 MET HA H 100 5.259 5.259 4.569 0.690 25502 449 1 . 1 1 100 100 MET CA C 100 53.800 53.800 54.552 -0.752 25502 450 1 . 1 1 100 100 MET CB C 100 30.960 30.960 33.867 -2.907 25502 451 1 . 1 1 100 100 MET H H 100 8.544 8.544 8.337 0.207 25502 452 1 . 1 1 101 101 ALA N N 101 125.971 125.971 125.735 0.236 25502 453 1 . 1 1 101 101 ALA HA H 101 4.276 4.276 4.045 0.231 25502 454 1 . 1 1 101 101 ALA CA C 101 51.498 51.498 51.716 -0.218 25502 455 1 . 1 1 101 101 ALA CB C 101 19.403 19.403 18.973 0.430 25502 456 1 . 1 1 101 101 ALA H H 101 7.999 7.999 8.262 -0.263 25502 457 1 . 1 1 102 102 ASN N N 102 113.207 113.207 119.108 -5.901 25502 458 1 . 1 1 102 102 ASN HA H 102 4.576 4.576 4.713 -0.137 25502 459 1 . 1 1 102 102 ASN CA C 102 53.841 53.841 53.423 0.418 25502 460 1 . 1 1 102 102 ASN CB C 102 40.379 40.379 39.891 0.488 25502 461 1 . 1 1 102 102 ASN H H 102 8.097 8.097 8.163 -0.066 25502 462 1 . 1 1 103 103 ALA N N 103 123.056 123.056 120.673 2.383 25502 463 1 . 1 1 103 103 ALA HA H 103 4.785 4.785 4.395 0.390 25502 464 1 . 1 1 103 103 ALA CA C 103 50.154 50.154 53.017 -2.863 25502 465 1 . 1 1 103 103 ALA CB C 103 19.029 19.029 19.135 -0.106 25502 466 1 . 1 1 103 103 ALA H H 103 8.787 8.787 8.340 0.447 25502 467 1 . 1 1 104 104 GLY N N 104 108.942 108.942 107.297 1.645 25502 468 1 . 1 1 104 104 GLY CA C 104 43.409 43.409 45.094 -1.685 25502 469 1 . 1 1 104 104 GLY H H 104 8.111 8.111 8.358 -0.247 25502 470 1 . 1 1 105 105 PRO HA H 105 4.327 4.327 4.429 -0.102 25502 471 1 . 1 1 105 105 PRO CA C 105 63.883 63.883 63.071 0.813 25502 472 1 . 1 1 105 105 PRO CB C 105 31.902 31.902 30.524 1.378 25502 473 1 . 1 1 106 106 ASN N N 106 118.866 118.866 120.549 -1.683 25502 474 1 . 1 1 106 106 ASN HA H 106 3.997 3.997 4.375 -0.378 25502 475 1 . 1 1 106 106 ASN CA C 106 54.103 54.103 54.405 -0.302 25502 476 1 . 1 1 106 106 ASN CB C 106 36.992 36.992 37.208 -0.216 25502 477 1 . 1 1 106 106 ASN H H 106 8.866 8.866 8.603 0.263 25502 478 1 . 1 1 107 107 THR N N 107 109.971 109.971 107.304 2.667 25502 479 1 . 1 1 107 107 THR HA H 107 4.434 4.434 4.067 0.367 25502 480 1 . 1 1 107 107 THR CA C 107 60.040 60.040 62.649 -2.609 25502 481 1 . 1 1 107 107 THR CB C 107 39.196 39.196 68.632 -29.436 25502 482 1 . 1 1 107 107 THR H H 107 10.165 10.165 8.189 1.976 25502 483 1 . 1 1 108 108 ASN N N 108 120.251 120.251 119.427 0.824 25502 484 1 . 1 1 108 108 ASN HA H 108 4.215 4.215 4.696 -0.481 25502 485 1 . 1 1 108 108 ASN CA C 108 55.448 55.448 53.671 1.777 25502 486 1 . 1 1 108 108 ASN CB C 108 39.600 39.600 38.779 0.821 25502 487 1 . 1 1 108 108 ASN H H 108 7.349 7.349 7.665 -0.316 25502 488 1 . 1 1 109 109 GLY N N 109 110.632 110.632 108.425 2.207 25502 489 1 . 1 1 109 109 GLY CA C 109 46.039 46.039 45.553 0.486 25502 490 1 . 1 1 109 109 GLY H H 109 9.188 9.188 8.410 0.778 25502 491 1 . 1 1 110 110 SER N N 110 116.806 116.806 114.886 1.920 25502 492 1 . 1 1 110 110 SER HA H 110 4.698 4.698 4.448 0.250 25502 493 1 . 1 1 110 110 SER CA C 110 57.454 57.454 58.315 -0.861 25502 494 1 . 1 1 110 110 SER CB C 110 65.964 65.964 63.411 2.553 25502 495 1 . 1 1 110 110 SER H H 110 8.738 8.738 8.351 0.387 25502 496 1 . 1 1 111 111 GLN N N 111 124.263 124.263 120.092 4.171 25502 497 1 . 1 1 111 111 GLN HA H 111 5.168 5.168 4.292 0.876 25502 498 1 . 1 1 111 111 GLN CA C 111 57.494 57.494 55.568 1.926 25502 499 1 . 1 1 111 111 GLN CB C 111 31.632 31.632 29.073 2.559 25502 500 1 . 1 1 111 111 GLN H H 111 8.388 8.388 8.081 0.307 25502 501 1 . 1 1 112 112 PHE N N 112 117.560 117.560 117.340 0.220 25502 502 1 . 1 1 112 112 PHE HA H 112 5.714 5.714 4.086 1.628 25502 503 1 . 1 1 112 112 PHE CA C 112 55.447 55.447 57.410 -1.963 25502 504 1 . 1 1 112 112 PHE CB C 112 43.000 43.000 39.116 3.884 25502 505 1 . 1 1 112 112 PHE H H 112 8.058 8.058 7.449 0.609 25502 506 1 . 1 1 113 113 PHE N N 113 116.199 116.199 117.331 -1.132 25502 507 1 . 1 1 113 113 PHE HA H 113 5.670 5.670 4.616 1.054 25502 508 1 . 1 1 113 113 PHE CA C 113 54.437 54.437 55.367 -0.930 25502 509 1 . 1 1 113 113 PHE CB C 113 42.617 42.617 40.093 2.524 25502 510 1 . 1 1 113 113 PHE H H 113 9.795 9.795 7.756 2.039 25502 511 1 . 1 1 114 114 ILE N N 114 118.391 118.391 122.223 -3.832 25502 512 1 . 1 1 114 114 ILE HA H 114 4.794 4.794 4.046 0.748 25502 513 1 . 1 1 114 114 ILE CA C 114 60.060 60.060 61.841 -1.781 25502 514 1 . 1 1 114 114 ILE CB C 114 40.162 40.162 38.491 1.670 25502 515 1 . 1 1 114 114 ILE H H 114 9.098 9.098 8.308 0.790 25502 516 1 . 1 1 115 115 CYS N N 115 125.271 125.271 128.168 -2.897 25502 517 1 . 1 1 115 115 CYS HA H 115 4.752 4.752 4.507 0.245 25502 518 1 . 1 1 115 115 CYS CA C 115 60.672 60.672 58.523 2.149 25502 519 1 . 1 1 115 115 CYS CB C 115 58.569 58.569 27.184 31.385 25502 520 1 . 1 1 115 115 CYS H H 115 9.597 9.597 8.401 1.196 25502 521 1 . 1 1 116 116 THR N N 116 115.478 115.478 117.465 -1.987 25502 522 1 . 1 1 116 116 THR HA H 116 4.324 4.324 4.247 0.077 25502 523 1 . 1 1 116 116 THR CA C 116 60.720 60.720 62.216 -1.496 25502 524 1 . 1 1 116 116 THR CB C 116 66.502 66.502 68.581 -2.079 25502 525 1 . 1 1 116 116 THR H H 116 8.947 8.947 8.253 0.694 25502 526 1 . 1 1 117 117 ALA N N 117 121.996 121.996 122.251 -0.255 25502 527 1 . 1 1 117 117 ALA HA H 117 4.358 4.358 4.393 -0.035 25502 528 1 . 1 1 117 117 ALA CA C 117 50.511 50.511 51.432 -0.921 25502 529 1 . 1 1 117 117 ALA CB C 117 22.608 22.608 21.015 1.593 25502 530 1 . 1 1 117 117 ALA H H 117 7.602 7.602 7.218 0.384 25502 531 1 . 1 1 118 118 LYS N N 118 119.550 119.550 122.325 -2.775 25502 532 1 . 1 1 118 118 LYS HA H 118 3.779 3.779 3.948 -0.169 25502 533 1 . 1 1 118 118 LYS CA C 118 57.664 57.664 57.282 0.382 25502 534 1 . 1 1 118 118 LYS CB C 118 32.499 32.499 31.490 1.009 25502 535 1 . 1 1 118 118 LYS H H 118 8.690 8.690 8.450 0.240 25502 536 1 . 1 1 119 119 THR N N 119 118.759 118.759 118.104 0.655 25502 537 1 . 1 1 119 119 THR HA H 119 3.623 3.623 1.945 1.678 25502 538 1 . 1 1 119 119 THR CA C 119 57.088 57.088 58.771 -1.683 25502 539 1 . 1 1 119 119 THR H H 119 7.328 7.328 7.856 -0.528 25502 540 1 . 1 1 120 120 GLU N N 120 124.407 124.407 122.571 1.836 25502 541 1 . 1 1 120 120 GLU HA H 120 4.120 4.120 3.949 0.171 25502 542 1 . 1 1 120 120 GLU CA C 120 59.072 59.072 58.410 0.662 25502 543 1 . 1 1 120 120 GLU H H 120 9.092 9.092 7.370 1.722 25502 544 1 . 1 1 121 121 TRP N N 121 117.495 117.495 118.521 -1.026 25502 545 1 . 1 1 121 121 TRP HA H 121 4.653 4.653 4.420 0.233 25502 546 1 . 1 1 121 121 TRP CA C 121 59.461 59.461 58.053 1.408 25502 547 1 . 1 1 121 121 TRP CB C 121 26.750 26.750 28.188 -1.438 25502 548 1 . 1 1 121 121 TRP H H 121 7.251 7.251 7.445 -0.194 25502 549 1 . 1 1 122 122 LEU N N 122 119.528 119.528 119.479 0.049 25502 550 1 . 1 1 122 122 LEU HA H 122 4.251 4.251 4.027 0.224 25502 551 1 . 1 1 122 122 LEU CA C 122 54.500 54.500 56.530 -2.030 25502 552 1 . 1 1 122 122 LEU CB C 122 38.899 38.899 41.616 -2.717 25502 553 1 . 1 1 122 122 LEU H H 122 7.019 7.019 6.814 0.205 25502 554 1 . 1 1 123 123 ASP N N 123 121.832 121.832 117.058 4.774 25502 555 1 . 1 1 123 123 ASP HA H 123 5.165 5.165 4.347 0.818 25502 556 1 . 1 1 123 123 ASP CA C 123 55.856 55.856 55.222 0.633 25502 557 1 . 1 1 123 123 ASP CB C 123 39.372 39.372 40.081 -0.709 25502 558 1 . 1 1 123 123 ASP H H 123 7.607 7.607 7.907 -0.300 25502 559 1 . 1 1 124 124 GLY N N 124 110.836 110.836 106.440 4.396 25502 560 1 . 1 1 124 124 GLY CA C 124 45.023 45.023 45.823 -0.800 25502 561 1 . 1 1 124 124 GLY H H 124 9.522 9.522 8.585 0.937 25502 562 1 . 1 1 125 125 LYS N N 125 115.016 115.016 117.577 -2.561 25502 563 1 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.086 0.023 25502 564 1 . 1 1 125 125 LYS CA C 125 56.248 56.248 56.778 -0.530 25502 565 1 . 1 1 125 125 LYS CB C 125 35.389 35.389 32.607 2.782 25502 566 1 . 1 1 125 125 LYS H H 125 7.727 7.727 8.299 -0.572 25502 567 1 . 1 1 126 126 HIS N N 126 119.223 119.223 114.044 5.179 25502 568 1 . 1 1 126 126 HIS HA H 126 4.799 4.799 4.922 -0.123 25502 569 1 . 1 1 126 126 HIS CA C 126 54.559 54.559 54.818 -0.259 25502 570 1 . 1 1 126 126 HIS H H 126 7.571 7.571 7.637 -0.066 25502 571 1 . 1 1 127 127 VAL N N 127 124.730 124.730 120.966 3.764 25502 572 1 . 1 1 127 127 VAL HA H 127 4.258 4.258 4.396 -0.138 25502 573 1 . 1 1 127 127 VAL CA C 127 63.647 63.647 61.286 2.361 25502 574 1 . 1 1 127 127 VAL CB C 127 33.416 33.416 33.423 -0.007 25502 575 1 . 1 1 127 127 VAL H H 127 8.474 8.474 8.674 -0.200 25502 576 1 . 1 1 128 128 VAL N N 128 132.814 132.814 127.675 5.139 25502 577 1 . 1 1 128 128 VAL HA H 128 4.150 4.150 4.446 -0.296 25502 578 1 . 1 1 128 128 VAL CB C 128 31.369 31.369 32.544 -1.175 25502 579 1 . 1 1 128 128 VAL H H 128 9.470 9.470 8.735 0.735 25502 580 1 . 1 1 129 129 PHE N N 129 117.478 117.478 121.323 -3.845 25502 581 1 . 1 1 129 129 PHE HA H 129 5.253 5.253 4.989 0.264 25502 582 1 . 1 1 129 129 PHE CA C 129 55.907 55.907 56.278 -0.371 25502 583 1 . 1 1 129 129 PHE CB C 129 42.456 42.456 39.894 2.562 25502 584 1 . 1 1 129 129 PHE H H 129 8.086 8.086 8.005 0.081 25502 585 1 . 1 1 130 130 GLY N N 130 110.497 110.497 107.714 2.783 25502 586 1 . 1 1 130 130 GLY CA C 130 46.394 46.394 45.345 1.049 25502 587 1 . 1 1 130 130 GLY H H 130 7.297 7.297 7.484 -0.187 25502 588 1 . 1 1 131 131 LYS N N 131 115.059 115.059 117.480 -2.421 25502 589 1 . 1 1 131 131 LYS HA H 131 5.207 5.207 4.704 0.503 25502 590 1 . 1 1 131 131 LYS CA C 131 54.795 54.795 55.654 -0.859 25502 591 1 . 1 1 131 131 LYS CB C 131 35.852 35.852 35.667 0.185 25502 592 1 . 1 1 131 131 LYS H H 131 8.353 8.353 8.243 0.110 25502 593 1 . 1 1 132 132 VAL N N 132 123.802 123.802 125.674 -1.872 25502 594 1 . 1 1 132 132 VAL HA H 132 3.888 3.888 3.832 0.056 25502 595 1 . 1 1 132 132 VAL CA C 132 63.947 63.947 64.540 -0.593 25502 596 1 . 1 1 132 132 VAL CB C 132 32.547 32.547 30.741 1.806 25502 597 1 . 1 1 132 132 VAL H H 132 9.015 9.015 8.608 0.407 25502 598 1 . 1 1 133 133 LYS N N 133 131.324 131.324 128.185 3.139 25502 599 1 . 1 1 133 133 LYS HA H 133 4.424 4.424 4.153 0.271 25502 600 1 . 1 1 133 133 LYS CA C 133 56.659 56.659 57.050 -0.391 25502 601 1 . 1 1 133 133 LYS CB C 133 33.867 33.867 33.414 0.453 25502 602 1 . 1 1 133 133 LYS H H 133 9.469 9.469 8.767 0.702 25502 603 1 . 1 1 134 134 GLU N N 134 118.178 118.178 116.108 2.070 25502 604 1 . 1 1 134 134 GLU HA H 134 4.559 4.559 4.388 0.171 25502 605 1 . 1 1 134 134 GLU CA C 134 55.148 55.148 55.775 -0.627 25502 606 1 . 1 1 134 134 GLU CB C 134 32.736 32.736 32.544 0.192 25502 607 1 . 1 1 134 134 GLU H H 134 7.543 7.543 7.597 -0.054 25502 608 1 . 1 1 135 135 GLY N N 135 107.767 107.767 109.856 -2.089 25502 609 1 . 1 1 135 135 GLY CA C 135 45.867 45.867 45.320 0.547 25502 610 1 . 1 1 135 135 GLY H H 135 8.693 8.693 8.741 -0.048 25502 611 1 . 1 1 136 136 MET N N 136 122.307 122.307 119.303 3.004 25502 612 1 . 1 1 136 136 MET HA H 136 4.437 4.437 4.068 0.369 25502 613 1 . 1 1 136 136 MET CA C 136 56.659 56.659 56.793 -0.134 25502 614 1 . 1 1 136 136 MET CB C 136 30.025 30.025 31.936 -1.912 25502 615 1 . 1 1 136 136 MET H H 136 8.790 8.790 8.456 0.334 25502 616 1 . 1 1 137 137 ASN N N 137 114.221 114.221 117.289 -3.068 25502 617 1 . 1 1 137 137 ASN HA H 137 4.450 4.450 4.433 0.017 25502 618 1 . 1 1 137 137 ASN CA C 137 55.926 55.926 55.896 0.030 25502 619 1 . 1 1 137 137 ASN CB C 137 35.817 35.817 37.634 -1.817 25502 620 1 . 1 1 137 137 ASN H H 137 8.849 8.849 8.530 0.319 25502 621 1 . 1 1 138 138 ILE N N 138 123.949 123.949 119.405 4.544 25502 622 1 . 1 1 138 138 ILE HA H 138 3.750 3.750 3.913 -0.163 25502 623 1 . 1 1 138 138 ILE CA C 138 61.331 61.331 63.351 -2.020 25502 624 1 . 1 1 138 138 ILE CB C 138 34.340 34.340 36.785 -2.445 25502 625 1 . 1 1 138 138 ILE H H 138 7.642 7.642 8.036 -0.394 25502 626 1 . 1 1 139 139 VAL N N 139 121.654 121.654 119.064 2.590 25502 627 1 . 1 1 139 139 VAL HA H 139 3.844 3.844 3.707 0.137 25502 628 1 . 1 1 139 139 VAL CA C 139 66.031 66.031 66.541 -0.510 25502 629 1 . 1 1 139 139 VAL CB C 139 30.976 30.976 31.110 -0.134 25502 630 1 . 1 1 139 139 VAL H H 139 7.244 7.244 7.640 -0.396 25502 631 1 . 1 1 140 140 GLU N N 140 117.078 117.078 118.776 -1.698 25502 632 1 . 1 1 140 140 GLU HA H 140 4.043 4.043 4.107 -0.064 25502 633 1 . 1 1 140 140 GLU CA C 140 59.162 59.162 58.995 0.167 25502 634 1 . 1 1 140 140 GLU CB C 140 29.419 29.419 29.419 0.000 25502 635 1 . 1 1 140 140 GLU H H 140 8.291 8.291 7.611 0.680 25502 636 1 . 1 1 141 141 ALA N N 141 120.813 120.813 122.473 -1.660 25502 637 1 . 1 1 141 141 ALA HA H 141 4.061 4.061 4.120 -0.059 25502 638 1 . 1 1 141 141 ALA CA C 141 54.729 54.729 54.850 -0.121 25502 639 1 . 1 1 141 141 ALA CB C 141 18.016 18.016 18.481 -0.465 25502 640 1 . 1 1 141 141 ALA H H 141 7.495 7.495 7.461 0.034 25502 641 1 . 1 1 142 142 MET N N 142 117.301 117.301 117.637 -0.336 25502 642 1 . 1 1 142 142 MET HA H 142 3.938 3.938 4.271 -0.333 25502 643 1 . 1 1 142 142 MET CA C 142 59.610 59.610 59.325 0.285 25502 644 1 . 1 1 142 142 MET CB C 142 33.678 33.678 32.388 1.290 25502 645 1 . 1 1 142 142 MET H H 142 8.259 8.259 7.966 0.293 25502 646 1 . 1 1 143 143 GLU N N 143 116.052 116.052 117.803 -1.751 25502 647 1 . 1 1 143 143 GLU HA H 143 3.716 3.716 4.074 -0.358 25502 648 1 . 1 1 143 143 GLU CA C 143 59.182 59.182 59.120 0.062 25502 649 1 . 1 1 143 143 GLU CB C 143 30.271 30.271 28.880 1.391 25502 650 1 . 1 1 143 143 GLU H H 143 7.832 7.832 8.012 -0.181 25502 651 1 . 1 1 144 144 ARG N N 144 114.357 114.357 119.451 -5.094 25502 652 1 . 1 1 144 144 ARG HA H 144 3.922 3.922 4.041 -0.119 25502 653 1 . 1 1 144 144 ARG CA C 144 57.542 57.542 57.852 -0.310 25502 654 1 . 1 1 144 144 ARG CB C 144 29.303 29.303 29.317 -0.014 25502 655 1 . 1 1 144 144 ARG H H 144 7.034 7.034 7.364 -0.330 25502 656 1 . 1 1 145 145 PHE N N 145 115.146 115.146 117.011 -1.865 25502 657 1 . 1 1 145 145 PHE HA H 145 4.793 4.793 4.767 0.026 25502 658 1 . 1 1 145 145 PHE CA C 145 57.614 57.614 57.103 0.511 25502 659 1 . 1 1 145 145 PHE CB C 145 38.913 38.913 39.134 -0.221 25502 660 1 . 1 1 145 145 PHE H H 145 7.624 7.624 7.970 -0.346 25502 661 1 . 1 1 146 146 GLY N N 146 104.498 104.498 107.147 -2.648 25502 662 1 . 1 1 146 146 GLY CA C 146 44.149 44.149 43.601 0.548 25502 663 1 . 1 1 146 146 GLY H H 146 7.514 7.514 7.419 0.095 25502 664 1 . 1 1 147 147 SER N N 147 109.815 109.815 115.412 -5.597 25502 665 1 . 1 1 147 147 SER HA H 147 4.755 4.755 4.731 0.024 25502 666 1 . 1 1 147 147 SER CA C 147 58.033 58.033 56.681 1.352 25502 667 1 . 1 1 147 147 SER H H 147 8.190 8.190 8.328 -0.138 25502 668 1 . 1 1 148 148 ARG N N 148 119.789 119.789 125.740 -5.951 25502 669 1 . 1 1 148 148 ARG HA H 148 4.167 4.167 4.213 -0.046 25502 670 1 . 1 1 148 148 ARG CA C 148 59.491 59.491 57.133 2.358 25502 671 1 . 1 1 148 148 ARG CB C 148 29.662 29.662 28.006 1.656 25502 672 1 . 1 1 148 148 ARG H H 148 8.795 8.795 8.871 -0.076 25502 673 1 . 1 1 149 149 ASN N N 149 111.378 111.378 117.360 -5.982 25502 674 1 . 1 1 149 149 ASN HA H 149 4.834 4.834 4.684 0.150 25502 675 1 . 1 1 149 149 ASN CA C 149 52.120 52.120 53.526 -1.406 25502 676 1 . 1 1 149 149 ASN CB C 149 38.241 38.241 39.801 -1.560 25502 677 1 . 1 1 149 149 ASN H H 149 7.841 7.841 8.501 -0.660 25502 678 1 . 1 1 150 150 GLY N N 150 109.893 109.893 108.812 1.081 25502 679 1 . 1 1 150 150 GLY CA C 150 44.897 44.897 45.419 -0.521 25502 680 1 . 1 1 150 150 GLY H H 150 8.040 8.040 7.835 0.205 25502 681 1 . 1 1 151 151 LYS N N 151 119.608 119.608 122.455 -2.847 25502 682 1 . 1 1 151 151 LYS HA H 151 4.405 4.405 4.300 0.105 25502 683 1 . 1 1 151 151 LYS CA C 151 57.045 57.045 57.495 -0.450 25502 684 1 . 1 1 151 151 LYS CB C 151 32.269 32.269 33.102 -0.833 25502 685 1 . 1 1 151 151 LYS H H 151 7.525 7.525 8.144 -0.619 25502 686 1 . 1 1 152 152 THR N N 152 116.317 116.317 110.306 6.011 25502 687 1 . 1 1 152 152 THR HA H 152 5.532 5.532 4.755 0.777 25502 688 1 . 1 1 152 152 THR CA C 152 59.953 59.953 60.203 -0.250 25502 689 1 . 1 1 152 152 THR CB C 152 71.108 71.108 71.305 -0.197 25502 690 1 . 1 1 152 152 THR H H 152 8.823 8.823 8.150 0.673 25502 691 1 . 1 1 153 153 SER N N 153 116.804 116.804 117.629 -0.825 25502 692 1 . 1 1 153 153 SER HA H 153 4.456 4.456 4.499 -0.043 25502 693 1 . 1 1 153 153 SER CA C 153 58.712 58.712 60.318 -1.605 25502 694 1 . 1 1 153 153 SER CB C 153 63.477 63.477 63.827 -0.350 25502 695 1 . 1 1 153 153 SER H H 153 9.412 9.412 8.869 0.543 25502 696 1 . 1 1 154 154 LYS N N 154 119.068 119.068 121.417 -2.349 25502 697 1 . 1 1 154 154 LYS HA H 154 4.532 4.532 4.314 0.218 25502 698 1 . 1 1 154 154 LYS CA C 154 54.400 54.400 55.966 -1.566 25502 699 1 . 1 1 154 154 LYS CB C 154 38.406 38.406 33.642 4.764 25502 700 1 . 1 1 154 154 LYS H H 154 7.527 7.527 7.908 -0.381 25502 701 1 . 1 1 155 155 LYS N N 155 121.541 121.541 121.457 0.084 25502 702 1 . 1 1 155 155 LYS HA H 155 4.313 4.313 4.577 -0.264 25502 703 1 . 1 1 155 155 LYS CA C 155 56.147 56.147 55.084 1.063 25502 704 1 . 1 1 155 155 LYS CB C 155 31.988 31.988 32.687 -0.699 25502 705 1 . 1 1 155 155 LYS H H 155 8.791 8.791 8.380 0.411 25502 706 1 . 1 1 156 156 ILE N N 156 133.980 133.980 129.801 4.179 25502 707 1 . 1 1 156 156 ILE HA H 156 5.093 5.093 5.051 0.042 25502 708 1 . 1 1 156 156 ILE CA C 156 59.264 59.264 60.720 -1.456 25502 709 1 . 1 1 156 156 ILE CB C 156 36.840 36.840 38.088 -1.248 25502 710 1 . 1 1 156 156 ILE H H 156 9.606 9.606 8.874 0.732 25502 711 1 . 1 1 157 157 THR N N 157 116.977 116.977 120.587 -3.610 25502 712 1 . 1 1 157 157 THR HA H 157 5.274 5.274 5.106 0.168 25502 713 1 . 1 1 157 157 THR CA C 157 59.475 59.475 59.819 -0.344 25502 714 1 . 1 1 157 157 THR CB C 157 72.475 72.475 72.066 0.409 25502 715 1 . 1 1 157 157 THR H H 157 9.233 9.233 8.678 0.555 25502 716 1 . 1 1 158 158 ILE N N 158 121.529 121.529 121.644 -0.115 25502 717 1 . 1 1 158 158 ILE HA H 158 4.242 4.242 4.979 -0.737 25502 718 1 . 1 1 158 158 ILE CA C 158 60.868 60.868 59.952 0.916 25502 719 1 . 1 1 158 158 ILE CB C 158 36.790 36.790 38.080 -1.290 25502 720 1 . 1 1 158 158 ILE H H 158 8.580 8.580 8.481 0.099 25502 721 1 . 1 1 159 159 ALA N N 159 132.313 132.313 131.628 0.685 25502 722 1 . 1 1 159 159 ALA HA H 159 4.124 4.124 4.258 -0.134 25502 723 1 . 1 1 159 159 ALA CA C 159 54.073 54.073 53.738 0.335 25502 724 1 . 1 1 159 159 ALA CB C 159 19.013 19.013 19.680 -0.667 25502 725 1 . 1 1 159 159 ALA H H 159 8.873 8.873 8.778 0.095 25502 726 1 . 1 1 160 160 ASP N N 160 111.257 111.257 116.254 -4.997 25502 727 1 . 1 1 160 160 ASP HA H 160 4.890 4.890 4.744 0.146 25502 728 1 . 1 1 160 160 ASP CA C 160 52.639 52.639 53.531 -0.892 25502 729 1 . 1 1 160 160 ASP CB C 160 43.587 43.587 43.487 0.100 25502 730 1 . 1 1 160 160 ASP H H 160 8.066 8.066 7.889 0.177 25502 731 1 . 1 1 161 161 CYS N N 161 115.837 115.837 117.761 -1.924 25502 732 1 . 1 1 161 161 CYS HA H 161 4.544 4.544 3.508 1.036 25502 733 1 . 1 1 161 161 CYS CA C 161 55.148 55.148 55.483 -0.335 25502 734 1 . 1 1 161 161 CYS CB C 161 31.137 31.137 30.866 0.270 25502 735 1 . 1 1 161 161 CYS H H 161 8.591 8.591 8.276 0.315 25502 736 1 . 1 1 162 162 GLY N N 162 103.888 103.888 107.833 -3.945 25502 737 1 . 1 1 162 162 GLY CA C 162 45.349 45.349 44.994 0.355 25502 738 1 . 1 1 162 162 GLY H H 162 6.844 6.844 6.989 -0.145 25502 739 1 . 1 1 163 163 GLN N N 163 120.718 120.718 120.814 -0.096 25502 740 1 . 1 1 163 163 GLN HA H 163 5.069 5.069 4.488 0.581 25502 741 1 . 1 1 163 163 GLN CA C 163 54.809 54.809 56.626 -1.817 25502 742 1 . 1 1 163 163 GLN CB C 163 30.590 30.590 29.089 1.501 25502 743 1 . 1 1 163 163 GLN H H 163 9.066 9.066 8.476 0.590 25502 744 1 . 1 1 164 164 LEU N N 164 125.816 125.816 126.756 -0.940 25502 745 1 . 1 1 164 164 LEU HA H 164 4.607 4.607 4.302 0.305 25502 746 1 . 1 1 164 164 LEU CA C 164 54.739 54.739 56.323 -1.584 25502 747 1 . 1 1 164 164 LEU CB C 164 43.362 43.362 41.877 1.485 25502 748 1 . 1 1 164 164 LEU H H 164 8.593 8.593 9.022 -0.429 25502 stop_ save_