data_19586 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19586 _Entry.PDB_ID 2MG5 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 19586 _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 ASP N N 2 120.378 120.378 119.704 0.674 19586 2 1 1 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.712 -0.127 19586 3 1 1 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.485 -2.525 19586 4 1 1 . 1 1 2 2 ASP H H 2 8.506 8.506 8.432 0.074 19586 5 1 1 . 1 1 3 3 GLN N N 3 119.707 119.707 118.254 1.453 19586 6 1 1 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.460 -0.248 19586 7 1 1 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.496 -2.761 19586 8 1 1 . 1 1 3 3 GLN CB C 3 31.074 31.074 30.522 0.552 19586 9 1 1 . 1 1 3 3 GLN H H 3 8.208 8.208 8.054 0.154 19586 10 1 1 . 1 1 4 4 LEU N N 4 123.069 123.069 120.743 2.326 19586 11 1 1 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.593 -0.453 19586 12 1 1 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.265 -3.607 19586 13 1 1 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.664 -3.040 19586 14 1 1 . 1 1 4 4 LEU H H 4 8.181 8.181 8.565 -0.384 19586 15 1 1 . 1 1 5 5 THR N N 5 112.909 112.909 111.802 1.107 19586 16 1 1 . 1 1 5 5 THR HA H 5 4.322 4.322 4.643 -0.321 19586 17 1 1 . 1 1 5 5 THR CA C 5 57.687 57.687 60.620 -2.933 19586 18 1 1 . 1 1 5 5 THR CB C 5 68.580 68.580 71.213 -2.632 19586 19 1 1 . 1 1 5 5 THR H H 5 8.607 8.607 7.505 1.102 19586 20 1 1 . 1 1 6 6 GLU N N 6 120.224 120.224 125.775 -5.551 19586 21 1 1 . 1 1 6 6 GLU HA H 6 3.825 3.825 3.959 -0.134 19586 22 1 1 . 1 1 6 6 GLU CA C 6 57.247 57.247 58.812 -1.565 19586 23 1 1 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.107 0.029 19586 24 1 1 . 1 1 6 6 GLU H H 6 8.877 8.877 9.059 -0.181 19586 25 1 1 . 1 1 7 7 GLU N N 7 119.350 119.350 118.621 0.729 19586 26 1 1 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.125 -0.208 19586 27 1 1 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.611 -1.413 19586 28 1 1 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.352 -3.078 19586 29 1 1 . 1 1 7 7 GLU H H 7 8.524 8.524 8.503 0.021 19586 30 1 1 . 1 1 8 8 GLN N N 8 119.917 119.917 115.637 4.280 19586 31 1 1 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.271 -0.368 19586 32 1 1 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.541 -1.565 19586 33 1 1 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.106 -2.706 19586 34 1 1 . 1 1 8 8 GLN H H 8 7.603 7.603 7.824 -0.221 19586 35 1 1 . 1 1 9 9 ILE N N 9 119.503 119.503 117.187 2.316 19586 36 1 1 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.165 -0.526 19586 37 1 1 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.923 1.873 19586 38 1 1 . 1 1 9 9 ILE CB C 9 35.178 35.178 39.283 -4.105 19586 39 1 1 . 1 1 9 9 ILE H H 9 8.260 8.260 7.394 0.866 19586 40 1 1 . 1 1 10 10 ALA N N 10 121.044 121.044 123.179 -2.135 19586 41 1 1 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.289 -0.328 19586 42 1 1 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.989 -2.287 19586 43 1 1 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.661 -3.547 19586 44 1 1 . 1 1 10 10 ALA H H 10 7.840 7.840 7.978 -0.138 19586 45 1 1 . 1 1 11 11 GLU N N 11 119.113 119.113 118.614 0.499 19586 46 1 1 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.403 -0.495 19586 47 1 1 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.940 -1.377 19586 48 1 1 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.635 -3.235 19586 49 1 1 . 1 1 11 11 GLU H H 11 7.635 7.635 8.267 -0.632 19586 50 1 1 . 1 1 12 12 PHE N N 12 119.574 119.574 120.098 -0.524 19586 51 1 1 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.317 0.469 19586 52 1 1 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.716 -4.762 19586 53 1 1 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.436 -4.372 19586 54 1 1 . 1 1 12 12 PHE H H 12 8.441 8.441 7.973 0.468 19586 55 1 1 . 1 1 13 13 LYS N N 13 123.454 123.454 118.427 5.027 19586 56 1 1 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.331 -0.428 19586 57 1 1 . 1 1 13 13 LYS CA C 13 57.296 57.296 57.840 -0.544 19586 58 1 1 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.092 -2.500 19586 59 1 1 . 1 1 13 13 LYS H H 13 9.103 9.103 8.081 1.022 19586 60 1 1 . 1 1 14 14 GLU N N 14 119.525 119.525 116.696 2.829 19586 61 1 1 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.337 -0.426 19586 62 1 1 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.802 -1.337 19586 63 1 1 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.112 -3.610 19586 64 1 1 . 1 1 14 14 GLU H H 14 7.667 7.667 7.969 -0.302 19586 65 1 1 . 1 1 15 15 ALA N N 15 121.983 121.983 122.415 -0.432 19586 66 1 1 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.245 -0.284 19586 67 1 1 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.352 -1.601 19586 68 1 1 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.663 -3.435 19586 69 1 1 . 1 1 15 15 ALA H H 15 7.816 7.816 7.348 0.468 19586 70 1 1 . 1 1 16 16 PHE N N 16 118.874 118.874 118.650 0.224 19586 71 1 1 . 1 1 16 16 PHE HA H 16 3.095 3.095 3.990 -0.895 19586 72 1 1 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.713 -1.169 19586 73 1 1 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.165 -2.391 19586 74 1 1 . 1 1 16 16 PHE H H 16 8.764 8.764 7.983 0.781 19586 75 1 1 . 1 1 17 17 SER N N 17 111.578 111.578 112.430 -0.852 19586 76 1 1 . 1 1 17 17 SER HA H 17 3.979 3.979 4.257 -0.278 19586 77 1 1 . 1 1 17 17 SER CA C 17 58.567 58.567 59.925 -1.358 19586 78 1 1 . 1 1 17 17 SER CB C 17 60.600 60.600 62.879 -2.279 19586 79 1 1 . 1 1 17 17 SER H H 17 7.825 7.825 8.392 -0.567 19586 80 1 1 . 1 1 18 18 LEU N N 18 121.167 121.167 120.050 1.117 19586 81 1 1 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.999 -0.052 19586 82 1 1 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.051 -2.443 19586 83 1 1 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.156 -2.518 19586 84 1 1 . 1 1 18 18 LEU H H 18 7.240 7.240 7.332 -0.092 19586 85 1 1 . 1 1 19 19 PHE N N 19 114.405 114.405 115.098 -0.693 19586 86 1 1 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.422 -0.511 19586 87 1 1 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.064 -1.817 19586 88 1 1 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.991 -6.181 19586 89 1 1 . 1 1 19 19 PHE H H 19 7.090 7.090 7.285 -0.195 19586 90 1 1 . 1 1 20 20 ASP N N 20 115.823 115.823 120.083 -4.260 19586 91 1 1 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.437 0.039 19586 92 1 1 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.942 -5.466 19586 93 1 1 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.238 -2.456 19586 94 1 1 . 1 1 20 20 ASP H H 20 7.662 7.662 7.682 -0.020 19586 95 1 1 . 1 1 21 21 LYS N N 21 124.906 124.906 123.413 1.493 19586 96 1 1 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.107 -0.321 19586 97 1 1 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.151 -2.126 19586 98 1 1 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.388 -2.688 19586 99 1 1 . 1 1 21 21 LYS H H 21 7.539 7.539 8.073 -0.534 19586 100 1 1 . 1 1 22 22 ASP N N 22 113.550 113.550 118.068 -4.518 19586 101 1 1 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.655 -0.224 19586 102 1 1 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.025 -5.060 19586 103 1 1 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.260 -4.486 19586 104 1 1 . 1 1 22 22 ASP H H 22 7.965 7.965 8.103 -0.138 19586 105 1 1 . 1 1 23 23 GLY N N 23 109.354 109.354 108.164 1.190 19586 106 1 1 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.083 -1.641 19586 107 1 1 . 1 1 23 23 GLY H H 23 7.606 7.606 8.020 -0.414 19586 108 1 1 . 1 1 24 24 ASP N N 24 120.643 120.643 120.947 -0.304 19586 109 1 1 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.743 -0.388 19586 110 1 1 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.348 -3.308 19586 111 1 1 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.162 -3.476 19586 112 1 1 . 1 1 24 24 ASP H H 24 8.266 8.266 8.553 -0.287 19586 113 1 1 . 1 1 25 25 GLY N N 25 113.205 113.205 107.238 5.967 19586 114 1 1 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.303 -2.620 19586 115 1 1 . 1 1 25 25 GLY H H 25 10.545 10.545 8.160 2.385 19586 116 1 1 . 1 1 26 26 THR N N 26 112.852 112.852 109.407 3.445 19586 117 1 1 . 1 1 26 26 THR HA H 26 5.170 5.170 5.700 -0.530 19586 118 1 1 . 1 1 26 26 THR CA C 26 56.954 56.954 59.702 -2.748 19586 119 1 1 . 1 1 26 26 THR CB C 26 69.948 69.948 71.937 -1.989 19586 120 1 1 . 1 1 26 26 THR H H 26 8.020 8.020 7.484 0.536 19586 121 1 1 . 1 1 27 27 ILE N N 27 127.005 127.005 121.524 5.481 19586 122 1 1 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.518 -0.691 19586 123 1 1 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.405 -1.474 19586 124 1 1 . 1 1 27 27 ILE CB C 27 37.230 37.230 40.796 -3.566 19586 125 1 1 . 1 1 27 27 ILE H H 27 9.689 9.689 8.056 1.633 19586 126 1 1 . 1 1 28 28 THR N N 28 116.439 116.439 118.000 -1.561 19586 127 1 1 . 1 1 28 28 THR HA H 28 4.642 4.642 4.386 0.256 19586 128 1 1 . 1 1 28 28 THR CA C 28 56.612 56.612 63.126 -6.513 19586 129 1 1 . 1 1 28 28 THR CB C 28 69.606 69.606 69.438 0.168 19586 130 1 1 . 1 1 28 28 THR H H 28 8.275 8.275 8.316 -0.041 19586 131 1 1 . 1 1 29 29 THR N N 29 113.287 113.287 118.016 -4.729 19586 132 1 1 . 1 1 29 29 THR HA H 29 3.635 3.635 4.095 -0.460 19586 133 1 1 . 1 1 29 29 THR CA C 29 63.845 63.845 64.429 -0.584 19586 134 1 1 . 1 1 29 29 THR CB C 29 65.616 65.616 68.712 -3.096 19586 135 1 1 . 1 1 29 29 THR H H 29 9.054 9.054 8.829 0.225 19586 136 1 1 . 1 1 30 30 LYS N N 30 121.230 121.230 119.649 1.581 19586 137 1 1 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.157 -0.254 19586 138 1 1 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.832 -2.367 19586 139 1 1 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.339 -2.639 19586 140 1 1 . 1 1 30 30 LYS H H 30 7.578 7.578 8.276 -0.698 19586 141 1 1 . 1 1 31 31 GLU N N 31 122.002 122.002 119.589 2.413 19586 142 1 1 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.197 -0.334 19586 143 1 1 . 1 1 31 31 GLU CA C 31 57.149 57.149 59.253 -2.104 19586 144 1 1 . 1 1 31 31 GLU CB C 31 26.058 26.058 29.580 -3.522 19586 145 1 1 . 1 1 31 31 GLU H H 31 7.712 7.712 7.600 0.112 19586 146 1 1 . 1 1 32 32 LEU N N 32 119.130 119.130 120.009 -0.879 19586 147 1 1 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.117 -0.192 19586 148 1 1 . 1 1 32 32 LEU CA C 32 55.529 55.529 58.046 -2.517 19586 149 1 1 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.579 -1.598 19586 150 1 1 . 1 1 32 32 LEU H H 32 8.509 8.509 7.555 0.954 19586 151 1 1 . 1 1 33 33 GLY N N 33 103.747 103.747 104.189 -0.442 19586 152 1 1 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.705 -1.041 19586 153 1 1 . 1 1 33 33 GLY H H 33 8.388 8.388 7.975 0.413 19586 154 1 1 . 1 1 34 34 THR N N 34 117.487 117.487 117.867 -0.380 19586 155 1 1 . 1 1 34 34 THR HA H 34 3.795 3.795 4.211 -0.416 19586 156 1 1 . 1 1 34 34 THR CA C 34 64.285 64.285 64.057 0.228 19586 157 1 1 . 1 1 34 34 THR CB C 34 66.186 66.186 68.286 -2.100 19586 158 1 1 . 1 1 34 34 THR H H 34 7.935 7.935 7.842 0.093 19586 159 1 1 . 1 1 35 35 VAL N N 35 120.287 120.287 118.659 1.628 19586 160 1 1 . 1 1 35 35 VAL H H 35 7.089 7.089 7.444 -0.355 19586 161 1 1 . 1 1 36 36 MET N N 36 117.816 117.816 117.686 0.130 19586 162 1 1 . 1 1 36 36 MET HA H 36 3.911 3.911 4.258 -0.347 19586 163 1 1 . 1 1 36 36 MET CA C 36 57.101 57.101 58.066 -0.965 19586 164 1 1 . 1 1 36 36 MET CB C 36 29.929 29.929 32.108 -2.179 19586 165 1 1 . 1 1 36 36 MET H H 36 8.318 8.318 7.398 0.920 19586 166 1 1 . 1 1 37 37 ARG N N 37 117.706 117.706 118.667 -0.961 19586 167 1 1 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.313 0.385 19586 168 1 1 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.667 -2.495 19586 169 1 1 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.872 -2.788 19586 170 1 1 . 1 1 37 37 ARG H H 37 8.233 8.233 8.529 -0.296 19586 171 1 1 . 1 1 38 38 SER N N 38 118.974 118.974 114.450 4.524 19586 172 1 1 . 1 1 38 38 SER HA H 38 4.187 4.187 4.357 -0.170 19586 173 1 1 . 1 1 38 38 SER CA C 38 59.251 59.251 60.599 -1.348 19586 174 1 1 . 1 1 38 38 SER CB C 38 67.782 67.782 63.207 4.575 19586 175 1 1 . 1 1 38 38 SER H H 38 7.874 7.874 7.571 0.303 19586 176 1 1 . 1 1 39 39 LEU N N 39 118.835 118.835 120.632 -1.797 19586 177 1 1 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.408 -0.269 19586 178 1 1 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.028 -3.695 19586 179 1 1 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.075 -2.437 19586 180 1 1 . 1 1 39 39 LEU H H 39 7.248 7.248 7.724 -0.476 19586 181 1 1 . 1 1 40 40 GLY N N 40 104.990 104.990 106.867 -1.877 19586 182 1 1 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.380 -2.502 19586 183 1 1 . 1 1 40 40 GLY H H 40 7.471 7.471 7.529 -0.058 19586 184 1 1 . 1 1 41 41 GLN N N 41 118.032 118.032 118.478 -0.446 19586 185 1 1 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.565 -0.195 19586 186 1 1 . 1 1 41 41 GLN CA C 41 51.187 51.187 53.933 -2.746 19586 187 1 1 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.053 -0.435 19586 188 1 1 . 1 1 41 41 GLN H H 41 7.860 7.860 7.712 0.148 19586 189 1 1 . 1 1 42 42 ASN N N 42 115.671 115.671 117.495 -1.824 19586 190 1 1 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.105 -0.011 19586 191 1 1 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.730 -2.036 19586 192 1 1 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.767 -3.213 19586 193 1 1 . 1 1 42 42 ASN H H 42 8.561 8.561 8.347 0.214 19586 194 1 1 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.874 -0.163 19586 195 1 1 . 1 1 44 44 THR N N 44 113.509 113.509 119.096 -5.587 19586 196 1 1 . 1 1 44 44 THR HA H 44 4.321 4.321 4.506 -0.185 19586 197 1 1 . 1 1 44 44 THR CA C 44 57.638 57.638 61.067 -3.429 19586 198 1 1 . 1 1 44 44 THR CB C 44 68.466 68.466 68.349 0.117 19586 199 1 1 . 1 1 44 44 THR H H 44 8.882 8.882 8.319 0.563 19586 200 1 1 . 1 1 45 45 GLU N N 45 120.506 120.506 127.119 -6.613 19586 201 1 1 . 1 1 45 45 GLU HA H 45 3.880 3.880 4.055 -0.175 19586 202 1 1 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.706 -2.605 19586 203 1 1 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.823 -3.549 19586 204 1 1 . 1 1 45 45 GLU H H 45 8.662 8.662 7.985 0.677 19586 205 1 1 . 1 1 46 46 ALA N N 46 120.586 120.586 121.625 -1.039 19586 206 1 1 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.187 -0.262 19586 207 1 1 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.865 -2.554 19586 208 1 1 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.229 -3.149 19586 209 1 1 . 1 1 46 46 ALA H H 46 8.139 8.139 8.391 -0.252 19586 210 1 1 . 1 1 47 47 GLU N N 47 118.171 118.171 117.187 0.984 19586 211 1 1 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.364 -0.488 19586 212 1 1 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.347 -2.077 19586 213 1 1 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.611 -3.325 19586 214 1 1 . 1 1 47 47 GLU H H 47 7.597 7.597 8.454 -0.857 19586 215 1 1 . 1 1 48 48 LEU N N 48 120.228 120.228 117.913 2.315 19586 216 1 1 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.256 -0.329 19586 217 1 1 . 1 1 48 48 LEU CA C 48 55.048 55.048 56.422 -1.374 19586 218 1 1 . 1 1 48 48 LEU CB C 48 39.981 39.981 41.839 -1.858 19586 219 1 1 . 1 1 48 48 LEU H H 48 7.848 7.848 7.554 0.294 19586 220 1 1 . 1 1 49 49 GLN N N 49 117.910 117.910 119.846 -1.936 19586 221 1 1 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.063 -0.162 19586 222 1 1 . 1 1 49 49 GLN CA C 49 55.732 55.732 59.021 -3.289 19586 223 1 1 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.570 -0.688 19586 224 1 1 . 1 1 49 49 GLN H H 49 8.037 8.037 7.772 0.265 19586 225 1 1 . 1 1 50 50 ASP N N 50 119.284 119.284 119.447 -0.163 19586 226 1 1 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.452 -0.295 19586 227 1 1 . 1 1 50 50 ASP CA C 50 54.706 54.706 57.104 -2.398 19586 228 1 1 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.468 -2.896 19586 229 1 1 . 1 1 50 50 ASP H H 50 8.010 8.010 7.851 0.159 19586 230 1 1 . 1 1 51 51 MET N N 51 119.245 119.245 117.295 1.950 19586 231 1 1 . 1 1 51 51 MET HA H 51 3.923 3.923 4.510 -0.587 19586 232 1 1 . 1 1 51 51 MET CA C 51 56.563 56.563 56.179 0.384 19586 233 1 1 . 1 1 51 51 MET CB C 51 29.478 29.478 33.368 -3.890 19586 234 1 1 . 1 1 51 51 MET H H 51 7.614 7.614 7.361 0.253 19586 235 1 1 . 1 1 52 52 ILE N N 52 117.584 117.584 121.172 -3.588 19586 236 1 1 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.703 -0.375 19586 237 1 1 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.486 -2.596 19586 238 1 1 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.211 -2.716 19586 239 1 1 . 1 1 52 52 ILE H H 52 7.514 7.514 8.675 -1.161 19586 240 1 1 . 1 1 53 53 ASN N N 53 117.126 117.126 118.004 -0.878 19586 241 1 1 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.631 -0.409 19586 242 1 1 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.338 -3.245 19586 243 1 1 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.605 -3.313 19586 244 1 1 . 1 1 53 53 ASN H H 53 8.418 8.418 7.723 0.695 19586 245 1 1 . 1 1 54 54 GLU N N 54 116.380 116.380 115.431 0.949 19586 246 1 1 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.265 -0.362 19586 247 1 1 . 1 1 54 54 GLU CA C 54 56.123 56.123 57.654 -1.531 19586 248 1 1 . 1 1 54 54 GLU CB C 54 26.400 26.400 29.951 -3.551 19586 249 1 1 . 1 1 54 54 GLU H H 54 7.466 7.466 8.536 -1.070 19586 250 1 1 . 1 1 55 55 VAL N N 55 108.622 108.622 111.516 -2.894 19586 251 1 1 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.230 0.084 19586 252 1 1 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.476 -4.300 19586 253 1 1 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.915 -2.753 19586 254 1 1 . 1 1 55 55 VAL H H 55 7.044 7.044 7.484 -0.440 19586 255 1 1 . 1 1 56 56 ASP N N 56 121.430 121.430 121.244 0.186 19586 256 1 1 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.659 -0.269 19586 257 1 1 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.339 -1.348 19586 258 1 1 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.236 -1.340 19586 259 1 1 . 1 1 56 56 ASP H H 56 7.561 7.561 8.349 -0.788 19586 260 1 1 . 1 1 57 57 ALA N N 57 131.840 131.840 124.765 7.075 19586 261 1 1 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.113 -0.060 19586 262 1 1 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.711 -3.231 19586 263 1 1 . 1 1 57 57 ALA CB C 57 16.793 16.793 18.917 -2.124 19586 264 1 1 . 1 1 57 57 ALA H H 57 8.357 8.357 8.128 0.229 19586 265 1 1 . 1 1 58 58 ASP N N 58 113.565 113.565 117.137 -3.572 19586 266 1 1 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.690 -0.200 19586 267 1 1 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.272 -3.356 19586 268 1 1 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.140 -4.366 19586 269 1 1 . 1 1 58 58 ASP H H 58 7.985 7.985 8.140 -0.155 19586 270 1 1 . 1 1 59 59 GLY N N 59 108.187 108.187 109.607 -1.420 19586 271 1 1 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.187 -1.696 19586 272 1 1 . 1 1 59 59 GLY H H 59 7.424 7.424 7.823 -0.399 19586 273 1 1 . 1 1 60 60 ASN N N 60 118.065 118.065 120.834 -2.769 19586 274 1 1 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.682 -0.236 19586 275 1 1 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.633 -3.864 19586 276 1 1 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.992 -2.438 19586 277 1 1 . 1 1 60 60 ASN H H 60 7.919 7.919 8.481 -0.562 19586 278 1 1 . 1 1 61 61 GLY N N 61 113.247 113.247 108.307 4.940 19586 279 1 1 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.694 -3.816 19586 280 1 1 . 1 1 61 61 GLY H H 61 10.485 10.485 8.691 1.794 19586 281 1 1 . 1 1 62 62 THR N N 62 108.699 108.699 111.698 -2.999 19586 282 1 1 . 1 1 62 62 THR HA H 62 4.580 4.580 4.415 0.165 19586 283 1 1 . 1 1 62 62 THR CA C 62 56.661 56.661 60.680 -4.019 19586 284 1 1 . 1 1 62 62 THR H H 62 7.511 7.511 7.387 0.124 19586 285 1 1 . 1 1 63 63 ILE N N 63 122.834 122.834 122.484 0.350 19586 286 1 1 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.460 0.594 19586 287 1 1 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.214 -2.113 19586 288 1 1 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.606 -4.262 19586 289 1 1 . 1 1 63 63 ILE H H 63 8.741 8.741 8.048 0.693 19586 290 1 1 . 1 1 64 64 ASP N N 64 127.818 127.818 124.833 2.985 19586 291 1 1 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.075 0.163 19586 292 1 1 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.682 -3.304 19586 293 1 1 . 1 1 64 64 ASP CB C 64 36.782 36.782 42.106 -5.324 19586 294 1 1 . 1 1 64 64 ASP H H 64 8.702 8.702 8.298 0.404 19586 295 1 1 . 1 1 65 65 PHE N N 65 118.653 118.653 119.785 -1.132 19586 296 1 1 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.287 -0.426 19586 297 1 1 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.252 -2.535 19586 298 1 1 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.084 -3.958 19586 299 1 1 . 1 1 65 65 PHE H H 65 8.847 8.847 8.841 0.006 19586 300 1 1 . 1 1 67 67 GLU N N 67 117.631 117.631 116.944 0.687 19586 301 1 1 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.313 -0.410 19586 302 1 1 . 1 1 67 67 GLU CA C 67 56.337 56.337 56.432 -0.095 19586 303 1 1 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.539 -2.494 19586 304 1 1 . 1 1 67 67 GLU H H 67 7.940 7.940 8.022 -0.082 19586 305 1 1 . 1 1 68 68 PHE N N 68 123.289 123.289 120.613 2.676 19586 306 1 1 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.348 -0.508 19586 307 1 1 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.437 -2.710 19586 308 1 1 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.563 -1.991 19586 309 1 1 . 1 1 68 68 PHE H H 68 8.757 8.757 7.566 1.191 19586 310 1 1 . 1 1 69 69 LEU N N 69 118.867 118.867 117.783 1.084 19586 311 1 1 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.151 -0.906 19586 312 1 1 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.998 -1.840 19586 313 1 1 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.482 -3.226 19586 314 1 1 . 1 1 69 69 LEU H H 69 8.403 8.403 8.126 0.277 19586 315 1 1 . 1 1 70 70 THR N N 70 116.302 116.302 113.397 2.905 19586 316 1 1 . 1 1 70 70 THR HA H 70 3.624 3.624 4.018 -0.394 19586 317 1 1 . 1 1 70 70 THR CA C 70 63.843 63.843 65.752 -1.909 19586 318 1 1 . 1 1 70 70 THR CB C 70 65.502 65.502 68.382 -2.880 19586 319 1 1 . 1 1 70 70 THR H H 70 7.540 7.540 8.152 -0.612 19586 320 1 1 . 1 1 71 71 MET N N 71 121.710 121.710 118.653 3.057 19586 321 1 1 . 1 1 71 71 MET HA H 71 3.903 3.903 4.314 -0.411 19586 322 1 1 . 1 1 71 71 MET CA C 71 56.303 56.303 58.246 -1.943 19586 323 1 1 . 1 1 71 71 MET CB C 71 29.706 29.706 32.001 -2.295 19586 324 1 1 . 1 1 71 71 MET H H 71 7.723 7.723 7.303 0.420 19586 325 1 1 . 1 1 72 72 MET N N 72 116.535 116.535 119.126 -2.591 19586 326 1 1 . 1 1 72 72 MET HA H 72 3.773 3.773 4.280 -0.507 19586 327 1 1 . 1 1 72 72 MET CA C 72 53.307 53.307 56.407 -3.100 19586 328 1 1 . 1 1 72 72 MET CB C 72 28.787 28.787 32.522 -3.735 19586 329 1 1 . 1 1 72 72 MET H H 72 7.982 7.982 7.873 0.109 19586 330 1 1 . 1 1 73 73 ALA N N 73 121.584 121.584 121.812 -0.228 19586 331 1 1 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.067 -0.187 19586 332 1 1 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.587 -2.491 19586 333 1 1 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.030 -2.688 19586 334 1 1 . 1 1 73 73 ALA H H 73 8.074 8.074 7.620 0.454 19586 335 1 1 . 1 1 74 74 ARG N N 74 115.784 115.784 118.348 -2.564 19586 336 1 1 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.115 -0.212 19586 337 1 1 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.784 -3.053 19586 338 1 1 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.398 -2.411 19586 339 1 1 . 1 1 74 74 ARG H H 74 7.358 7.358 7.735 -0.377 19586 340 1 1 . 1 1 75 75 LYS N N 75 117.245 117.245 116.307 0.938 19586 341 1 1 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.247 -0.298 19586 342 1 1 . 1 1 75 75 LYS CA C 75 53.947 53.947 56.397 -2.450 19586 343 1 1 . 1 1 75 75 LYS CB C 75 26.400 26.400 31.832 -5.432 19586 344 1 1 . 1 1 75 75 LYS H H 75 7.640 7.640 7.981 -0.341 19586 345 1 1 . 1 1 76 76 MET N N 76 117.971 117.971 119.473 -1.502 19586 346 1 1 . 1 1 76 76 MET HA H 76 4.242 4.242 4.415 -0.173 19586 347 1 1 . 1 1 76 76 MET CA C 76 53.947 53.947 55.577 -1.630 19586 348 1 1 . 1 1 76 76 MET CB C 76 29.478 29.478 32.447 -2.969 19586 349 1 1 . 1 1 76 76 MET H H 76 7.794 7.794 7.345 0.449 19586 350 1 1 . 1 1 77 77 LYS N N 77 119.902 119.902 120.713 -0.811 19586 351 1 1 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.313 -0.161 19586 352 1 1 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.154 -1.871 19586 353 1 1 . 1 1 77 77 LYS CB C 77 29.478 29.478 31.389 -1.911 19586 354 1 1 . 1 1 77 77 LYS H H 77 7.622 7.622 7.868 -0.246 19586 355 1 1 . 1 1 78 78 ASP N N 78 119.146 119.146 122.629 -3.483 19586 356 1 1 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.381 -0.138 19586 357 1 1 . 1 1 78 78 ASP CA C 78 52.061 52.061 55.204 -3.143 19586 358 1 1 . 1 1 78 78 ASP H H 78 7.991 7.991 8.479 -0.488 19586 359 1 1 . 1 1 79 79 THR N N 79 112.750 112.750 112.674 0.076 19586 360 1 1 . 1 1 79 79 THR HA H 79 4.170 4.170 4.430 -0.260 19586 361 1 1 . 1 1 79 79 THR CA C 79 59.030 59.030 61.836 -2.806 19586 362 1 1 . 1 1 79 79 THR CB C 79 67.668 67.668 69.814 -2.147 19586 363 1 1 . 1 1 79 79 THR H H 79 7.587 7.587 7.957 -0.370 19586 364 1 1 . 1 1 80 80 ASP N N 80 122.888 122.888 123.516 -0.628 19586 365 1 1 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.764 -0.393 19586 366 1 1 . 1 1 80 80 ASP CA C 80 50.850 50.850 53.706 -2.857 19586 367 1 1 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.913 -5.560 19586 368 1 1 . 1 1 80 80 ASP H H 80 8.354 8.354 8.374 -0.020 19586 369 1 1 . 1 1 81 81 SER N N 81 117.571 117.571 117.586 -0.015 19586 370 1 1 . 1 1 81 81 SER HA H 81 4.115 4.115 4.360 -0.245 19586 371 1 1 . 1 1 81 81 SER CA C 81 57.717 57.717 60.029 -2.312 19586 372 1 1 . 1 1 81 81 SER CB C 81 60.884 60.884 63.202 -2.318 19586 373 1 1 . 1 1 81 81 SER H H 81 8.232 8.232 8.489 -0.257 19586 374 1 1 . 1 1 82 82 GLU N N 82 121.860 121.860 121.216 0.644 19586 375 1 1 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.122 -0.239 19586 376 1 1 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.349 -2.642 19586 377 1 1 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.567 0.025 19586 378 1 1 . 1 1 82 82 GLU H H 82 8.364 8.364 8.618 -0.254 19586 379 1 1 . 1 1 83 83 GLU N N 83 119.398 119.398 118.236 1.162 19586 380 1 1 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.106 -0.223 19586 381 1 1 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.344 -2.738 19586 382 1 1 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.330 0.034 19586 383 1 1 . 1 1 83 83 GLU H H 83 8.032 8.032 8.779 -0.747 19586 384 1 1 . 1 1 84 84 GLU N N 84 118.279 118.279 118.481 -0.202 19586 385 1 1 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.435 -0.564 19586 386 1 1 . 1 1 84 84 GLU CA C 84 56.606 56.606 57.935 -1.329 19586 387 1 1 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.472 -3.655 19586 388 1 1 . 1 1 84 84 GLU H H 84 8.153 8.153 7.643 0.510 19586 389 1 1 . 1 1 85 85 ILE N N 85 120.970 120.970 120.418 0.552 19586 390 1 1 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.945 -0.333 19586 391 1 1 . 1 1 85 85 ILE CA C 85 63.439 63.439 63.919 -0.480 19586 392 1 1 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.384 -3.776 19586 393 1 1 . 1 1 85 85 ILE H H 85 7.927 7.927 7.786 0.141 19586 394 1 1 . 1 1 86 86 ARG N N 86 121.766 121.766 119.054 2.712 19586 395 1 1 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.135 -0.127 19586 396 1 1 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.500 -1.985 19586 397 1 1 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.195 -3.339 19586 398 1 1 . 1 1 86 86 ARG H H 86 8.233 8.233 8.500 -0.267 19586 399 1 1 . 1 1 87 87 GLU N N 87 118.369 118.369 117.508 0.861 19586 400 1 1 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.198 -0.296 19586 401 1 1 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.655 -1.049 19586 402 1 1 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.255 -3.438 19586 403 1 1 . 1 1 87 87 GLU H H 87 8.156 8.156 7.726 0.430 19586 404 1 1 . 1 1 88 88 ALA N N 88 120.337 120.337 118.470 1.867 19586 405 1 1 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.573 -0.624 19586 406 1 1 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.639 -0.376 19586 407 1 1 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.302 -5.222 19586 408 1 1 . 1 1 88 88 ALA H H 88 7.877 7.877 7.464 0.413 19586 409 1 1 . 1 1 89 89 PHE N N 89 118.191 118.191 121.832 -3.641 19586 410 1 1 . 1 1 89 89 PHE HA H 89 3.115 3.115 3.816 -0.701 19586 411 1 1 . 1 1 89 89 PHE CA C 89 59.703 59.703 62.160 -2.457 19586 412 1 1 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.863 -3.089 19586 413 1 1 . 1 1 89 89 PHE H H 89 8.459 8.459 8.463 -0.004 19586 414 1 1 . 1 1 90 90 ARG N N 90 115.953 115.953 117.303 -1.350 19586 415 1 1 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.548 -0.643 19586 416 1 1 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.032 -1.863 19586 417 1 1 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.792 -2.138 19586 418 1 1 . 1 1 90 90 ARG H H 90 7.764 7.764 7.827 -0.063 19586 419 1 1 . 1 1 91 91 VAL N N 91 118.202 118.202 117.081 1.121 19586 420 1 1 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.794 -0.509 19586 421 1 1 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.952 -1.595 19586 422 1 1 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.097 -3.653 19586 423 1 1 . 1 1 91 91 VAL H H 91 7.229 7.229 7.276 -0.047 19586 424 1 1 . 1 1 92 92 PHE N N 92 112.447 112.447 117.952 -5.505 19586 425 1 1 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.306 -0.361 19586 426 1 1 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.598 -0.569 19586 427 1 1 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.678 -1.840 19586 428 1 1 . 1 1 92 92 PHE H H 92 6.699 6.699 7.267 -0.568 19586 429 1 1 . 1 1 93 93 ASP N N 93 116.461 116.461 118.528 -2.067 19586 430 1 1 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.239 0.237 19586 431 1 1 . 1 1 93 93 ASP CA C 93 49.525 49.525 54.134 -4.609 19586 432 1 1 . 1 1 93 93 ASP CB C 93 35.183 35.183 39.992 -4.809 19586 433 1 1 . 1 1 93 93 ASP H H 93 7.881 7.881 8.104 -0.223 19586 434 1 1 . 1 1 94 94 LYS N N 94 125.494 125.494 123.357 2.137 19586 435 1 1 . 1 1 94 94 LYS HA H 94 3.668 3.668 3.964 -0.296 19586 436 1 1 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.599 -2.623 19586 437 1 1 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.297 -0.884 19586 438 1 1 . 1 1 94 94 LYS H H 94 7.596 7.596 8.173 -0.577 19586 439 1 1 . 1 1 95 95 ASP N N 95 114.015 114.015 116.758 -2.743 19586 440 1 1 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.694 -0.279 19586 441 1 1 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.480 -4.173 19586 442 1 1 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.125 -5.351 19586 443 1 1 . 1 1 95 95 ASP H H 95 8.097 8.097 7.675 0.422 19586 444 1 1 . 1 1 96 96 GLY N N 96 109.147 109.147 108.157 0.990 19586 445 1 1 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.356 -1.012 19586 446 1 1 . 1 1 96 96 GLY H H 96 7.677 7.677 8.635 -0.958 19586 447 1 1 . 1 1 97 97 ASN N N 97 119.575 119.575 118.961 0.614 19586 448 1 1 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.980 -0.480 19586 449 1 1 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.981 -3.065 19586 450 1 1 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.150 -3.966 19586 451 1 1 . 1 1 97 97 ASN H H 97 8.252 8.252 7.930 0.322 19586 452 1 1 . 1 1 98 98 GLY N N 98 112.465 112.465 106.595 5.870 19586 453 1 1 . 1 1 98 98 GLY CA C 98 42.292 42.292 46.035 -3.744 19586 454 1 1 . 1 1 98 98 GLY H H 98 10.462 10.462 8.755 1.707 19586 455 1 1 . 1 1 99 99 TYR N N 99 116.256 116.256 118.463 -2.207 19586 456 1 1 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.945 -0.063 19586 457 1 1 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.511 -2.929 19586 458 1 1 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.636 -1.655 19586 459 1 1 . 1 1 99 99 TYR H H 99 7.557 7.557 7.702 -0.145 19586 460 1 1 . 1 1 100 100 ILE N N 100 126.957 126.957 121.504 5.453 19586 461 1 1 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.285 0.172 19586 462 1 1 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.023 -1.407 19586 463 1 1 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.145 -3.712 19586 464 1 1 . 1 1 100 100 ILE H H 100 9.972 9.972 7.552 2.420 19586 465 1 1 . 1 1 101 101 SER N N 101 123.739 123.739 122.305 1.434 19586 466 1 1 . 1 1 101 101 SER HA H 101 4.711 4.711 4.428 0.283 19586 467 1 1 . 1 1 101 101 SER CA C 101 52.897 52.897 57.486 -4.589 19586 468 1 1 . 1 1 101 101 SER CB C 101 64.134 64.134 64.534 -0.400 19586 469 1 1 . 1 1 101 101 SER H H 101 8.844 8.844 8.569 0.275 19586 470 1 1 . 1 1 102 102 ALA N N 102 123.028 123.028 126.745 -3.717 19586 471 1 1 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.115 -0.404 19586 472 1 1 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.773 -1.679 19586 473 1 1 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.619 -3.505 19586 474 1 1 . 1 1 102 102 ALA H H 102 9.178 9.178 8.785 0.393 19586 475 1 1 . 1 1 103 103 ALA N N 103 118.443 118.443 119.590 -1.147 19586 476 1 1 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.326 -0.465 19586 477 1 1 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.078 -0.669 19586 478 1 1 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.454 -1.998 19586 479 1 1 . 1 1 103 103 ALA H H 103 8.132 8.132 8.342 -0.210 19586 480 1 1 . 1 1 104 104 GLU N N 104 120.139 120.139 120.197 -0.058 19586 481 1 1 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.018 -0.179 19586 482 1 1 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.995 -2.432 19586 483 1 1 . 1 1 104 104 GLU CB C 104 26.400 26.400 28.836 -2.436 19586 484 1 1 . 1 1 104 104 GLU H H 104 7.786 7.786 7.593 0.193 19586 485 1 1 . 1 1 105 105 LEU N N 105 121.545 121.545 120.862 0.683 19586 486 1 1 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.826 0.076 19586 487 1 1 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.559 -1.827 19586 488 1 1 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.575 -1.366 19586 489 1 1 . 1 1 105 105 LEU H H 105 8.240 8.240 7.784 0.456 19586 490 1 1 . 1 1 106 106 ARG N N 106 118.625 118.625 118.180 0.445 19586 491 1 1 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.936 -0.097 19586 492 1 1 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.885 -1.540 19586 493 1 1 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.262 1.128 19586 494 1 1 . 1 1 106 106 ARG H H 106 8.761 8.761 8.260 0.501 19586 495 1 1 . 1 1 107 107 HIS N N 107 119.052 119.052 118.460 0.592 19586 496 1 1 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.457 -0.555 19586 497 1 1 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.491 -2.684 19586 498 1 1 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.779 -3.580 19586 499 1 1 . 1 1 107 107 HIS H H 107 7.946 7.946 7.330 0.616 19586 500 1 1 . 1 1 108 108 VAL N N 108 119.160 119.160 120.053 -0.893 19586 501 1 1 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.722 -0.280 19586 502 1 1 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.245 -1.960 19586 503 1 1 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.626 -2.718 19586 504 1 1 . 1 1 108 108 VAL H H 108 7.736 7.736 8.726 -0.990 19586 505 1 1 . 1 1 109 109 MET N N 109 115.333 115.333 118.736 -3.403 19586 506 1 1 . 1 1 109 109 MET HA H 109 4.139 4.139 3.934 0.205 19586 507 1 1 . 1 1 109 109 MET CA C 109 54.686 54.686 59.383 -4.697 19586 508 1 1 . 1 1 109 109 MET CB C 109 29.706 29.706 32.046 -2.340 19586 509 1 1 . 1 1 109 109 MET H H 109 8.074 8.074 8.284 -0.210 19586 510 1 1 . 1 1 110 110 THR N N 110 116.714 116.714 113.985 2.729 19586 511 1 1 . 1 1 110 110 THR HA H 110 3.935 3.935 4.045 -0.110 19586 512 1 1 . 1 1 110 110 THR CA C 110 63.845 63.845 65.972 -2.127 19586 513 1 1 . 1 1 110 110 THR CB C 110 66.072 66.072 68.401 -2.329 19586 514 1 1 . 1 1 110 110 THR H H 110 8.515 8.515 7.760 0.755 19586 515 1 1 . 1 1 111 111 ASN N N 111 123.784 123.784 120.204 3.580 19586 516 1 1 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.540 -0.298 19586 517 1 1 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.158 -2.066 19586 518 1 1 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.637 -3.345 19586 519 1 1 . 1 1 111 111 ASN H H 111 7.890 7.890 7.614 0.276 19586 520 1 1 . 1 1 112 112 LEU N N 112 118.227 118.227 116.520 1.707 19586 521 1 1 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.533 -0.418 19586 522 1 1 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.088 -1.435 19586 523 1 1 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.410 -1.672 19586 524 1 1 . 1 1 112 112 LEU H H 112 7.621 7.621 7.485 0.136 19586 525 1 1 . 1 1 113 113 GLY N N 113 106.787 106.787 106.558 0.229 19586 526 1 1 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.224 -2.688 19586 527 1 1 . 1 1 113 113 GLY H H 113 7.701 7.701 7.487 0.214 19586 528 1 1 . 1 1 114 114 GLU N N 114 120.288 120.288 119.005 1.283 19586 529 1 1 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.548 -0.306 19586 530 1 1 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.663 -1.596 19586 531 1 1 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.291 -3.675 19586 532 1 1 . 1 1 114 114 GLU H H 114 7.864 7.864 8.087 -0.223 19586 533 1 1 . 1 1 115 115 LYS N N 115 124.987 124.987 125.368 -0.381 19586 534 1 1 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.245 -0.022 19586 535 1 1 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.903 -4.055 19586 536 1 1 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.596 -0.639 19586 537 1 1 . 1 1 115 115 LYS H H 115 8.491 8.491 8.480 0.011 19586 538 1 1 . 1 1 116 116 LEU N N 116 124.912 124.912 123.217 1.695 19586 539 1 1 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.755 -0.043 19586 540 1 1 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.969 -1.881 19586 541 1 1 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.103 -1.516 19586 542 1 1 . 1 1 116 116 LEU H H 116 7.978 7.978 7.785 0.193 19586 543 1 1 . 1 1 117 117 THR N N 117 114.220 114.220 112.223 1.997 19586 544 1 1 . 1 1 117 117 THR HA H 117 4.302 4.302 4.481 -0.179 19586 545 1 1 . 1 1 117 117 THR CA C 117 57.834 57.834 60.845 -3.011 19586 546 1 1 . 1 1 117 117 THR CB C 117 68.580 68.580 69.968 -1.388 19586 547 1 1 . 1 1 117 117 THR H H 117 9.093 9.093 8.114 0.979 19586 548 1 1 . 1 1 118 118 ASP N N 118 120.925 120.925 121.836 -0.911 19586 549 1 1 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.234 -0.176 19586 550 1 1 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.952 -2.709 19586 551 1 1 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.861 -3.860 19586 552 1 1 . 1 1 118 118 ASP H H 118 8.764 8.764 8.690 0.074 19586 553 1 1 . 1 1 119 119 GLU N N 119 119.395 119.395 118.078 1.317 19586 554 1 1 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.004 -0.077 19586 555 1 1 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.140 -1.991 19586 556 1 1 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.995 -3.064 19586 557 1 1 . 1 1 119 119 GLU H H 119 8.509 8.509 8.658 -0.149 19586 558 1 1 . 1 1 120 120 GLU N N 120 119.909 119.909 118.597 1.312 19586 559 1 1 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.158 -0.262 19586 560 1 1 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.459 -2.140 19586 561 1 1 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.624 -3.794 19586 562 1 1 . 1 1 120 120 GLU H H 120 7.585 7.585 7.705 -0.120 19586 563 1 1 . 1 1 121 121 VAL N N 121 122.092 122.092 116.849 5.243 19586 564 1 1 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.841 -0.399 19586 565 1 1 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.221 -1.131 19586 566 1 1 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.278 -2.598 19586 567 1 1 . 1 1 121 121 VAL H H 121 7.849 7.849 7.274 0.575 19586 568 1 1 . 1 1 122 122 ASP N N 122 120.167 120.167 121.388 -1.221 19586 569 1 1 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.273 -0.116 19586 570 1 1 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.445 -3.544 19586 571 1 1 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.954 -3.382 19586 572 1 1 . 1 1 122 122 ASP H H 122 7.912 7.912 8.645 -0.733 19586 573 1 1 . 1 1 123 123 GLU N N 123 119.087 119.087 118.539 0.548 19586 574 1 1 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.132 -0.236 19586 575 1 1 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.896 -2.284 19586 576 1 1 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.633 -3.461 19586 577 1 1 . 1 1 123 123 GLU H H 123 7.839 7.839 7.697 0.142 19586 578 1 1 . 1 1 124 124 MET N N 124 118.897 118.897 116.839 2.058 19586 579 1 1 . 1 1 124 124 MET HA H 124 3.867 3.867 4.750 -0.883 19586 580 1 1 . 1 1 124 124 MET CA C 124 56.905 56.905 56.654 0.251 19586 581 1 1 . 1 1 124 124 MET CB C 124 29.250 29.250 32.623 -3.373 19586 582 1 1 . 1 1 124 124 MET H H 124 7.433 7.433 7.426 0.007 19586 583 1 1 . 1 1 125 125 ILE N N 125 118.001 118.001 114.069 3.932 19586 584 1 1 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.170 -0.790 19586 585 1 1 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.018 -2.887 19586 586 1 1 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.774 -4.534 19586 587 1 1 . 1 1 125 125 ILE H H 125 7.658 7.658 8.405 -0.748 19586 588 1 1 . 1 1 126 126 ARG N N 126 117.720 117.720 120.967 -3.247 19586 589 1 1 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.963 -0.080 19586 590 1 1 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.709 -3.036 19586 591 1 1 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.226 -0.748 19586 592 1 1 . 1 1 126 126 ARG H H 126 7.974 7.974 8.218 -0.244 19586 593 1 1 . 1 1 127 127 GLU N N 127 117.050 117.050 117.154 -0.104 19586 594 1 1 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.155 -0.188 19586 595 1 1 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.537 -2.218 19586 596 1 1 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.586 -3.300 19586 597 1 1 . 1 1 127 127 GLU H H 127 7.635 7.635 7.656 -0.021 19586 598 1 1 . 1 1 128 128 ALA N N 128 116.966 116.966 119.735 -2.769 19586 599 1 1 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.340 0.160 19586 600 1 1 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.559 -4.354 19586 601 1 1 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.958 0.147 19586 602 1 1 . 1 1 128 128 ALA H H 128 7.155 7.155 7.444 -0.289 19586 603 1 1 . 1 1 129 129 ASP N N 129 118.033 118.033 119.208 -1.175 19586 604 1 1 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.926 -0.575 19586 605 1 1 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.096 -1.274 19586 606 1 1 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.974 -4.288 19586 607 1 1 . 1 1 129 129 ASP H H 129 7.806 7.806 7.666 0.140 19586 608 1 1 . 1 1 130 130 ILE N N 130 127.927 127.927 121.880 6.047 19586 609 1 1 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.146 -0.349 19586 610 1 1 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.753 -2.231 19586 611 1 1 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.105 -2.015 19586 612 1 1 . 1 1 130 130 ILE H H 130 8.115 8.115 8.507 -0.392 19586 613 1 1 . 1 1 131 131 ASP N N 131 116.634 116.634 119.743 -3.109 19586 614 1 1 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.712 -0.369 19586 615 1 1 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.549 -2.362 19586 616 1 1 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.334 -3.866 19586 617 1 1 . 1 1 131 131 ASP H H 131 8.202 8.202 7.859 0.343 19586 618 1 1 . 1 1 132 132 GLY N N 132 108.586 108.586 108.645 -0.059 19586 619 1 1 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.887 -1.249 19586 620 1 1 . 1 1 132 132 GLY H H 132 7.535 7.535 7.704 -0.169 19586 621 1 1 . 1 1 133 133 ASP N N 133 120.377 120.377 120.336 0.041 19586 622 1 1 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.622 -0.271 19586 623 1 1 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.733 -3.791 19586 624 1 1 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.337 -3.879 19586 625 1 1 . 1 1 133 133 ASP H H 133 8.215 8.215 8.847 -0.632 19586 626 1 1 . 1 1 134 134 GLY N N 134 112.226 112.226 107.029 5.197 19586 627 1 1 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.335 -2.213 19586 628 1 1 . 1 1 134 134 GLY H H 134 9.971 9.971 8.488 1.483 19586 629 1 1 . 1 1 135 135 GLN N N 135 115.229 115.229 117.067 -1.838 19586 630 1 1 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.906 -0.775 19586 631 1 1 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.512 -4.058 19586 632 1 1 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.100 -3.486 19586 633 1 1 . 1 1 135 135 GLN H H 135 7.835 7.835 7.607 0.228 19586 634 1 1 . 1 1 136 136 VAL N N 136 125.238 125.238 121.637 3.601 19586 635 1 1 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.315 0.781 19586 636 1 1 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.734 -2.021 19586 637 1 1 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.284 -0.868 19586 638 1 1 . 1 1 136 136 VAL H H 136 8.958 8.958 8.736 0.222 19586 639 1 1 . 1 1 137 137 ASN N N 137 129.058 129.058 123.989 5.069 19586 640 1 1 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.960 0.266 19586 641 1 1 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.828 -4.476 19586 642 1 1 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.853 -4.213 19586 643 1 1 . 1 1 137 137 ASN H H 137 9.435 9.435 7.964 1.471 19586 644 1 1 . 1 1 138 138 TYR N N 138 118.627 118.627 120.132 -1.505 19586 645 1 1 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.511 -1.319 19586 646 1 1 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.667 -2.998 19586 647 1 1 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.441 -0.869 19586 648 1 1 . 1 1 138 138 TYR H H 138 8.146 8.146 8.629 -0.483 19586 649 1 1 . 1 1 139 139 GLU N N 139 118.701 118.701 116.937 1.764 19586 650 1 1 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.103 -0.592 19586 651 1 1 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.674 -2.134 19586 652 1 1 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.904 -2.630 19586 653 1 1 . 1 1 139 139 GLU H H 139 7.974 7.974 8.804 -0.830 19586 654 1 1 . 1 1 140 140 GLU N N 140 119.774 119.774 120.028 -0.254 19586 655 1 1 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.212 -0.301 19586 656 1 1 . 1 1 140 140 GLU CA C 140 56.025 56.025 59.028 -3.003 19586 657 1 1 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.508 -3.234 19586 658 1 1 . 1 1 140 140 GLU H H 140 8.676 8.676 7.881 0.795 19586 659 1 1 . 1 1 141 141 PHE N N 141 124.074 124.074 120.298 3.776 19586 660 1 1 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.310 -0.663 19586 661 1 1 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.316 -0.869 19586 662 1 1 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.404 -1.718 19586 663 1 1 . 1 1 141 141 PHE H H 141 8.507 8.507 7.608 0.899 19586 664 1 1 . 1 1 142 142 VAL N N 142 119.203 119.203 119.920 -0.717 19586 665 1 1 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.700 -0.742 19586 666 1 1 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.945 -1.513 19586 667 1 1 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.527 -2.619 19586 668 1 1 . 1 1 142 142 VAL H H 142 8.639 8.639 7.669 0.970 19586 669 1 1 . 1 1 143 143 GLN N N 143 120.173 120.173 118.495 1.678 19586 670 1 1 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.024 -0.353 19586 671 1 1 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.704 -2.190 19586 672 1 1 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.377 -3.131 19586 673 1 1 . 1 1 143 143 GLN H H 143 7.818 7.818 7.600 0.218 19586 674 1 1 . 1 1 144 144 MET N N 144 118.573 118.573 117.102 1.471 19586 675 1 1 . 1 1 144 144 MET HA H 144 3.882 3.882 4.170 -0.288 19586 676 1 1 . 1 1 144 144 MET CA C 144 55.683 55.683 57.979 -2.296 19586 677 1 1 . 1 1 144 144 MET CB C 144 28.110 28.110 32.326 -4.216 19586 678 1 1 . 1 1 144 144 MET H H 144 7.403 7.403 7.340 0.063 19586 679 1 1 . 1 1 145 145 MET N N 145 114.053 114.053 117.661 -3.608 19586 680 1 1 . 1 1 145 145 MET HA H 145 3.940 3.940 4.342 -0.402 19586 681 1 1 . 1 1 145 145 MET CA C 145 53.630 53.630 57.183 -3.553 19586 682 1 1 . 1 1 145 145 MET CB C 145 29.592 29.592 31.851 -2.259 19586 683 1 1 . 1 1 145 145 MET H H 145 7.534 7.534 7.622 -0.088 19586 684 1 1 . 1 1 146 146 THR N N 146 109.275 109.275 115.304 -6.029 19586 685 1 1 . 1 1 146 146 THR HA H 146 4.175 4.175 4.160 0.015 19586 686 1 1 . 1 1 146 146 THR CA C 146 59.251 59.251 64.351 -5.100 19586 687 1 1 . 1 1 146 146 THR CB C 146 67.896 67.896 69.259 -1.363 19586 688 1 1 . 1 1 146 146 THR H H 146 7.554 7.554 7.546 0.008 19586 689 1 1 . 1 1 147 147 ALA N N 147 126.913 126.913 122.455 4.458 19586 690 1 1 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.576 -0.459 19586 691 1 1 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.287 -0.980 19586 692 1 1 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.116 -3.780 19586 693 1 1 . 1 1 147 147 ALA H H 147 7.406 7.406 7.278 0.128 19586 694 1 2 . 1 1 2 2 ASP N N 2 120.378 120.378 120.743 -0.365 19586 695 1 2 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.466 0.119 19586 696 1 2 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.629 -2.669 19586 697 1 2 . 1 1 2 2 ASP H H 2 8.506 8.506 8.383 0.123 19586 698 1 2 . 1 1 3 3 GLN N N 3 119.707 119.707 119.783 -0.076 19586 699 1 2 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.629 -0.417 19586 700 1 2 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.293 -2.558 19586 701 1 2 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.365 -0.291 19586 702 1 2 . 1 1 3 3 GLN H H 3 8.208 8.208 8.413 -0.205 19586 703 1 2 . 1 1 4 4 LEU N N 4 123.069 123.069 122.486 0.583 19586 704 1 2 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.642 -0.502 19586 705 1 2 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.609 -3.951 19586 706 1 2 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.455 -2.831 19586 707 1 2 . 1 1 4 4 LEU H H 4 8.181 8.181 8.669 -0.488 19586 708 1 2 . 1 1 5 5 THR N N 5 112.909 112.909 112.615 0.294 19586 709 1 2 . 1 1 5 5 THR HA H 5 4.322 4.322 4.259 0.063 19586 710 1 2 . 1 1 5 5 THR CA C 5 57.687 57.687 64.139 -6.452 19586 711 1 2 . 1 1 5 5 THR CB C 5 68.580 68.580 68.941 -0.361 19586 712 1 2 . 1 1 5 5 THR H H 5 8.607 8.607 7.937 0.670 19586 713 1 2 . 1 1 6 6 GLU N N 6 120.224 120.224 121.206 -0.982 19586 714 1 2 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.206 -0.381 19586 715 1 2 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.423 -2.176 19586 716 1 2 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.233 -0.097 19586 717 1 2 . 1 1 6 6 GLU H H 6 8.877 8.877 8.734 0.143 19586 718 1 2 . 1 1 7 7 GLU N N 7 119.350 119.350 118.732 0.618 19586 719 1 2 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.150 -0.233 19586 720 1 2 . 1 1 7 7 GLU CA C 7 57.198 57.198 59.174 -1.976 19586 721 1 2 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.266 -2.992 19586 722 1 2 . 1 1 7 7 GLU H H 7 8.524 8.524 8.544 -0.020 19586 723 1 2 . 1 1 8 8 GLN N N 8 119.917 119.917 117.547 2.370 19586 724 1 2 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.203 -0.300 19586 725 1 2 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.362 -2.386 19586 726 1 2 . 1 1 8 8 GLN CB C 8 26.400 26.400 28.863 -2.463 19586 727 1 2 . 1 1 8 8 GLN H H 8 7.603 7.603 7.918 -0.315 19586 728 1 2 . 1 1 9 9 ILE N N 9 119.503 119.503 116.912 2.591 19586 729 1 2 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.340 -0.701 19586 730 1 2 . 1 1 9 9 ILE CA C 9 63.796 63.796 60.442 3.354 19586 731 1 2 . 1 1 9 9 ILE CB C 9 35.178 35.178 37.590 -2.412 19586 732 1 2 . 1 1 9 9 ILE H H 9 8.260 8.260 7.611 0.649 19586 733 1 2 . 1 1 10 10 ALA N N 10 121.044 121.044 122.428 -1.384 19586 734 1 2 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.316 -0.355 19586 735 1 2 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.201 -1.499 19586 736 1 2 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.780 -3.666 19586 737 1 2 . 1 1 10 10 ALA H H 10 7.840 7.840 7.848 -0.008 19586 738 1 2 . 1 1 11 11 GLU N N 11 119.113 119.113 118.604 0.509 19586 739 1 2 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.182 -0.274 19586 740 1 2 . 1 1 11 11 GLU CA C 11 56.563 56.563 58.011 -1.448 19586 741 1 2 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.698 -3.299 19586 742 1 2 . 1 1 11 11 GLU H H 11 7.635 7.635 7.974 -0.339 19586 743 1 2 . 1 1 12 12 PHE N N 12 119.574 119.574 119.567 0.007 19586 744 1 2 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.345 0.441 19586 745 1 2 . 1 1 12 12 PHE CA C 12 56.954 56.954 62.110 -5.156 19586 746 1 2 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.387 -4.323 19586 747 1 2 . 1 1 12 12 PHE H H 12 8.441 8.441 7.679 0.762 19586 748 1 2 . 1 1 13 13 LYS N N 13 123.454 123.454 118.324 5.130 19586 749 1 2 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.358 -0.455 19586 750 1 2 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.007 -0.711 19586 751 1 2 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.173 -2.581 19586 752 1 2 . 1 1 13 13 LYS H H 13 9.103 9.103 8.092 1.011 19586 753 1 2 . 1 1 14 14 GLU N N 14 119.525 119.525 116.995 2.530 19586 754 1 2 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.461 -0.550 19586 755 1 2 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.401 -0.936 19586 756 1 2 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.354 -3.852 19586 757 1 2 . 1 1 14 14 GLU H H 14 7.667 7.667 8.163 -0.496 19586 758 1 2 . 1 1 15 15 ALA N N 15 121.983 121.983 121.114 0.869 19586 759 1 2 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.220 -0.259 19586 760 1 2 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.669 -1.918 19586 761 1 2 . 1 1 15 15 ALA CB C 15 15.228 15.228 19.188 -3.960 19586 762 1 2 . 1 1 15 15 ALA H H 15 7.816 7.816 7.848 -0.032 19586 763 1 2 . 1 1 16 16 PHE N N 16 118.874 118.874 118.478 0.396 19586 764 1 2 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.049 -0.954 19586 765 1 2 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.414 -0.870 19586 766 1 2 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.384 -2.610 19586 767 1 2 . 1 1 16 16 PHE H H 16 8.764 8.764 8.448 0.316 19586 768 1 2 . 1 1 17 17 SER N N 17 111.578 111.578 111.128 0.450 19586 769 1 2 . 1 1 17 17 SER HA H 17 3.979 3.979 4.212 -0.233 19586 770 1 2 . 1 1 17 17 SER CA C 17 58.567 58.567 59.581 -1.014 19586 771 1 2 . 1 1 17 17 SER CB C 17 60.600 60.600 62.858 -2.258 19586 772 1 2 . 1 1 17 17 SER H H 17 7.825 7.825 8.384 -0.559 19586 773 1 2 . 1 1 18 18 LEU N N 18 121.167 121.167 120.535 0.632 19586 774 1 2 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.434 -0.487 19586 775 1 2 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.311 -2.703 19586 776 1 2 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.429 -2.791 19586 777 1 2 . 1 1 18 18 LEU H H 18 7.240 7.240 7.214 0.026 19586 778 1 2 . 1 1 19 19 PHE N N 19 114.405 114.405 113.134 1.271 19586 779 1 2 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.322 -0.411 19586 780 1 2 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.646 -2.399 19586 781 1 2 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.770 -5.960 19586 782 1 2 . 1 1 19 19 PHE H H 19 7.090 7.090 7.587 -0.497 19586 783 1 2 . 1 1 20 20 ASP N N 20 115.823 115.823 118.333 -2.510 19586 784 1 2 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.428 0.048 19586 785 1 2 . 1 1 20 20 ASP CA C 20 49.476 49.476 52.748 -3.272 19586 786 1 2 . 1 1 20 20 ASP CB C 20 36.782 36.782 38.369 -1.587 19586 787 1 2 . 1 1 20 20 ASP H H 20 7.662 7.662 7.646 0.016 19586 788 1 2 . 1 1 21 21 LYS N N 21 124.906 124.906 119.099 5.807 19586 789 1 2 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.174 -0.388 19586 790 1 2 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.571 -1.546 19586 791 1 2 . 1 1 21 21 LYS CB C 21 29.700 29.700 31.484 -1.784 19586 792 1 2 . 1 1 21 21 LYS H H 21 7.539 7.539 7.570 -0.031 19586 793 1 2 . 1 1 22 22 ASP N N 22 113.550 113.550 118.629 -5.079 19586 794 1 2 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.616 -0.185 19586 795 1 2 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.069 -5.104 19586 796 1 2 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.420 -4.646 19586 797 1 2 . 1 1 22 22 ASP H H 22 7.965 7.965 7.860 0.105 19586 798 1 2 . 1 1 23 23 GLY N N 23 109.354 109.354 108.418 0.936 19586 799 1 2 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.165 -1.723 19586 800 1 2 . 1 1 23 23 GLY H H 23 7.606 7.606 7.915 -0.309 19586 801 1 2 . 1 1 24 24 ASP N N 24 120.643 120.643 121.220 -0.577 19586 802 1 2 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.764 -0.409 19586 803 1 2 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.092 -3.052 19586 804 1 2 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.184 -3.498 19586 805 1 2 . 1 1 24 24 ASP H H 24 8.266 8.266 8.312 -0.046 19586 806 1 2 . 1 1 25 25 GLY N N 25 113.205 113.205 108.800 4.405 19586 807 1 2 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.401 -2.718 19586 808 1 2 . 1 1 25 25 GLY H H 25 10.545 10.545 8.252 2.293 19586 809 1 2 . 1 1 26 26 THR N N 26 112.852 112.852 111.144 1.708 19586 810 1 2 . 1 1 26 26 THR HA H 26 5.170 5.170 5.155 0.015 19586 811 1 2 . 1 1 26 26 THR CA C 26 56.954 56.954 59.553 -2.599 19586 812 1 2 . 1 1 26 26 THR CB C 26 69.948 69.948 71.927 -1.979 19586 813 1 2 . 1 1 26 26 THR H H 26 8.020 8.020 7.429 0.591 19586 814 1 2 . 1 1 27 27 ILE N N 27 127.005 127.005 117.570 9.435 19586 815 1 2 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.524 -0.697 19586 816 1 2 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.326 -1.395 19586 817 1 2 . 1 1 27 27 ILE CB C 27 37.230 37.230 39.712 -2.482 19586 818 1 2 . 1 1 27 27 ILE H H 27 9.689 9.689 7.958 1.731 19586 819 1 2 . 1 1 28 28 THR N N 28 116.439 116.439 116.063 0.376 19586 820 1 2 . 1 1 28 28 THR HA H 28 4.642 4.642 4.654 -0.012 19586 821 1 2 . 1 1 28 28 THR CA C 28 56.612 56.612 61.613 -5.001 19586 822 1 2 . 1 1 28 28 THR CB C 28 69.606 69.606 69.995 -0.389 19586 823 1 2 . 1 1 28 28 THR H H 28 8.275 8.275 8.253 0.022 19586 824 1 2 . 1 1 29 29 THR N N 29 113.287 113.287 117.822 -4.535 19586 825 1 2 . 1 1 29 29 THR HA H 29 3.635 3.635 4.260 -0.625 19586 826 1 2 . 1 1 29 29 THR CA C 29 63.845 63.845 63.321 0.524 19586 827 1 2 . 1 1 29 29 THR CB C 29 65.616 65.616 68.918 -3.302 19586 828 1 2 . 1 1 29 29 THR H H 29 9.054 9.054 8.694 0.360 19586 829 1 2 . 1 1 30 30 LYS N N 30 121.230 121.230 121.126 0.104 19586 830 1 2 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.239 -0.336 19586 831 1 2 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.532 -2.067 19586 832 1 2 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.653 -2.953 19586 833 1 2 . 1 1 30 30 LYS H H 30 7.578 7.578 7.853 -0.275 19586 834 1 2 . 1 1 31 31 GLU N N 31 122.002 122.002 117.568 4.434 19586 835 1 2 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.260 -0.397 19586 836 1 2 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.502 -0.353 19586 837 1 2 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.323 -2.264 19586 838 1 2 . 1 1 31 31 GLU H H 31 7.712 7.712 8.600 -0.888 19586 839 1 2 . 1 1 32 32 LEU N N 32 119.130 119.130 117.723 1.407 19586 840 1 2 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.269 -0.344 19586 841 1 2 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.706 -1.177 19586 842 1 2 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.325 -0.344 19586 843 1 2 . 1 1 32 32 LEU H H 32 8.509 8.509 7.667 0.842 19586 844 1 2 . 1 1 33 33 GLY N N 33 103.747 103.747 103.752 -0.005 19586 845 1 2 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.636 0.028 19586 846 1 2 . 1 1 33 33 GLY H H 33 8.388 8.388 8.047 0.341 19586 847 1 2 . 1 1 34 34 THR N N 34 117.487 117.487 116.418 1.069 19586 848 1 2 . 1 1 34 34 THR HA H 34 3.795 3.795 4.230 -0.435 19586 849 1 2 . 1 1 34 34 THR CA C 34 64.285 64.285 63.298 0.987 19586 850 1 2 . 1 1 34 34 THR CB C 34 66.186 66.186 68.379 -2.193 19586 851 1 2 . 1 1 34 34 THR H H 34 7.935 7.935 7.782 0.153 19586 852 1 2 . 1 1 35 35 VAL N N 35 120.287 120.287 119.606 0.681 19586 853 1 2 . 1 1 35 35 VAL H H 35 7.089 7.089 7.331 -0.242 19586 854 1 2 . 1 1 36 36 MET N N 36 117.816 117.816 118.954 -1.138 19586 855 1 2 . 1 1 36 36 MET HA H 36 3.911 3.911 4.213 -0.302 19586 856 1 2 . 1 1 36 36 MET CA C 36 57.101 57.101 58.832 -1.731 19586 857 1 2 . 1 1 36 36 MET CB C 36 29.929 29.929 32.438 -2.509 19586 858 1 2 . 1 1 36 36 MET H H 36 8.318 8.318 8.114 0.204 19586 859 1 2 . 1 1 37 37 ARG N N 37 117.706 117.706 118.759 -1.053 19586 860 1 2 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.066 0.632 19586 861 1 2 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.699 -2.527 19586 862 1 2 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.918 -2.834 19586 863 1 2 . 1 1 37 37 ARG H H 37 8.233 8.233 7.918 0.315 19586 864 1 2 . 1 1 38 38 SER N N 38 118.974 118.974 114.195 4.779 19586 865 1 2 . 1 1 38 38 SER HA H 38 4.187 4.187 4.444 -0.257 19586 866 1 2 . 1 1 38 38 SER CA C 38 59.251 59.251 60.414 -1.163 19586 867 1 2 . 1 1 38 38 SER CB C 38 67.782 67.782 63.692 4.090 19586 868 1 2 . 1 1 38 38 SER H H 38 7.874 7.874 7.610 0.264 19586 869 1 2 . 1 1 39 39 LEU N N 39 118.835 118.835 121.485 -2.650 19586 870 1 2 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.614 -0.475 19586 871 1 2 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.993 -3.660 19586 872 1 2 . 1 1 39 39 LEU CB C 39 39.638 39.638 41.996 -2.358 19586 873 1 2 . 1 1 39 39 LEU H H 39 7.248 7.248 7.655 -0.407 19586 874 1 2 . 1 1 40 40 GLY N N 40 104.990 104.990 106.043 -1.053 19586 875 1 2 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.687 -2.809 19586 876 1 2 . 1 1 40 40 GLY H H 40 7.471 7.471 7.955 -0.484 19586 877 1 2 . 1 1 41 41 GLN N N 41 118.032 118.032 118.737 -0.705 19586 878 1 2 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.637 -0.267 19586 879 1 2 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.243 -3.056 19586 880 1 2 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.435 -0.817 19586 881 1 2 . 1 1 41 41 GLN H H 41 7.860 7.860 7.730 0.130 19586 882 1 2 . 1 1 42 42 ASN N N 42 115.671 115.671 117.686 -2.015 19586 883 1 2 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.121 -0.027 19586 884 1 2 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.943 -2.249 19586 885 1 2 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.347 -3.793 19586 886 1 2 . 1 1 42 42 ASN H H 42 8.561 8.561 8.481 0.080 19586 887 1 2 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.668 0.043 19586 888 1 2 . 1 1 44 44 THR N N 44 113.509 113.509 116.085 -2.576 19586 889 1 2 . 1 1 44 44 THR HA H 44 4.321 4.321 4.559 -0.238 19586 890 1 2 . 1 1 44 44 THR CA C 44 57.638 57.638 60.547 -2.909 19586 891 1 2 . 1 1 44 44 THR CB C 44 68.466 68.466 69.303 -0.837 19586 892 1 2 . 1 1 44 44 THR H H 44 8.882 8.882 8.221 0.661 19586 893 1 2 . 1 1 45 45 GLU N N 45 120.506 120.506 128.181 -7.675 19586 894 1 2 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.884 -0.004 19586 895 1 2 . 1 1 45 45 GLU CA C 45 57.101 57.101 60.035 -2.934 19586 896 1 2 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.590 -3.317 19586 897 1 2 . 1 1 45 45 GLU H H 45 8.662 8.662 8.906 -0.244 19586 898 1 2 . 1 1 46 46 ALA N N 46 120.586 120.586 119.171 1.415 19586 899 1 2 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.136 -0.211 19586 900 1 2 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.314 -2.003 19586 901 1 2 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.523 -3.443 19586 902 1 2 . 1 1 46 46 ALA H H 46 8.139 8.139 8.395 -0.256 19586 903 1 2 . 1 1 47 47 GLU N N 47 118.171 118.171 119.336 -1.165 19586 904 1 2 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.124 -0.248 19586 905 1 2 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.960 -2.690 19586 906 1 2 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.816 -3.530 19586 907 1 2 . 1 1 47 47 GLU H H 47 7.597 7.597 7.428 0.169 19586 908 1 2 . 1 1 48 48 LEU N N 48 120.228 120.228 116.019 4.209 19586 909 1 2 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.077 -0.150 19586 910 1 2 . 1 1 48 48 LEU CA C 48 55.048 55.048 58.389 -3.341 19586 911 1 2 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.225 -0.244 19586 912 1 2 . 1 1 48 48 LEU H H 48 7.848 7.848 7.663 0.185 19586 913 1 2 . 1 1 49 49 GLN N N 49 117.910 117.910 118.271 -0.361 19586 914 1 2 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.067 -0.166 19586 915 1 2 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.849 -3.117 19586 916 1 2 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.281 -0.399 19586 917 1 2 . 1 1 49 49 GLN H H 49 8.037 8.037 8.124 -0.087 19586 918 1 2 . 1 1 50 50 ASP N N 50 119.284 119.284 118.190 1.094 19586 919 1 2 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.542 -0.385 19586 920 1 2 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.301 -1.595 19586 921 1 2 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.825 -3.253 19586 922 1 2 . 1 1 50 50 ASP H H 50 8.010 8.010 7.794 0.216 19586 923 1 2 . 1 1 51 51 MET N N 51 119.245 119.245 117.724 1.521 19586 924 1 2 . 1 1 51 51 MET HA H 51 3.923 3.923 4.448 -0.525 19586 925 1 2 . 1 1 51 51 MET CA C 51 56.563 56.563 56.175 0.388 19586 926 1 2 . 1 1 51 51 MET CB C 51 29.478 29.478 34.283 -4.805 19586 927 1 2 . 1 1 51 51 MET H H 51 7.614 7.614 7.360 0.254 19586 928 1 2 . 1 1 52 52 ILE N N 52 117.584 117.584 119.518 -1.934 19586 929 1 2 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.694 -0.366 19586 930 1 2 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.149 -3.259 19586 931 1 2 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.832 -3.338 19586 932 1 2 . 1 1 52 52 ILE H H 52 7.514 7.514 8.820 -1.306 19586 933 1 2 . 1 1 53 53 ASN N N 53 117.126 117.126 118.150 -1.024 19586 934 1 2 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.665 -0.443 19586 935 1 2 . 1 1 53 53 ASN CA C 53 53.093 53.093 55.971 -2.878 19586 936 1 2 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.660 -3.368 19586 937 1 2 . 1 1 53 53 ASN H H 53 8.418 8.418 7.684 0.734 19586 938 1 2 . 1 1 54 54 GLU N N 54 116.380 116.380 117.502 -1.122 19586 939 1 2 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.285 -0.382 19586 940 1 2 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.121 -1.998 19586 941 1 2 . 1 1 54 54 GLU CB C 54 26.400 26.400 29.884 -3.484 19586 942 1 2 . 1 1 54 54 GLU H H 54 7.466 7.466 8.274 -0.808 19586 943 1 2 . 1 1 55 55 VAL N N 55 108.622 108.622 114.863 -6.241 19586 944 1 2 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.256 0.058 19586 945 1 2 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.947 -4.771 19586 946 1 2 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.831 -2.669 19586 947 1 2 . 1 1 55 55 VAL H H 55 7.044 7.044 7.574 -0.530 19586 948 1 2 . 1 1 56 56 ASP N N 56 121.430 121.430 121.451 -0.021 19586 949 1 2 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.515 -0.125 19586 950 1 2 . 1 1 56 56 ASP CA C 56 50.991 50.991 53.049 -2.058 19586 951 1 2 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.618 -1.722 19586 952 1 2 . 1 1 56 56 ASP H H 56 7.561 7.561 8.019 -0.458 19586 953 1 2 . 1 1 57 57 ALA N N 57 131.840 131.840 125.754 6.086 19586 954 1 2 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.162 -0.109 19586 955 1 2 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.326 -2.846 19586 956 1 2 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.235 -2.442 19586 957 1 2 . 1 1 57 57 ALA H H 57 8.357 8.357 8.161 0.196 19586 958 1 2 . 1 1 58 58 ASP N N 58 113.565 113.565 117.245 -3.680 19586 959 1 2 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.738 -0.248 19586 960 1 2 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.815 -2.898 19586 961 1 2 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.096 -4.322 19586 962 1 2 . 1 1 58 58 ASP H H 58 7.985 7.985 8.111 -0.126 19586 963 1 2 . 1 1 59 59 GLY N N 59 108.187 108.187 108.870 -0.683 19586 964 1 2 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.306 -1.815 19586 965 1 2 . 1 1 59 59 GLY H H 59 7.424 7.424 7.492 -0.068 19586 966 1 2 . 1 1 60 60 ASN N N 60 118.065 118.065 120.872 -2.807 19586 967 1 2 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.715 -0.269 19586 968 1 2 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.269 -3.500 19586 969 1 2 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.675 -2.121 19586 970 1 2 . 1 1 60 60 ASN H H 60 7.919 7.919 8.446 -0.527 19586 971 1 2 . 1 1 61 61 GLY N N 61 113.247 113.247 107.351 5.896 19586 972 1 2 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.570 -3.692 19586 973 1 2 . 1 1 61 61 GLY H H 61 10.485 10.485 8.718 1.767 19586 974 1 2 . 1 1 62 62 THR N N 62 108.699 108.699 113.086 -4.387 19586 975 1 2 . 1 1 62 62 THR HA H 62 4.580 4.580 4.554 0.026 19586 976 1 2 . 1 1 62 62 THR CA C 62 56.661 56.661 61.045 -4.384 19586 977 1 2 . 1 1 62 62 THR H H 62 7.511 7.511 7.788 -0.277 19586 978 1 2 . 1 1 63 63 ILE N N 63 122.834 122.834 119.962 2.872 19586 979 1 2 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.397 0.657 19586 980 1 2 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.395 -2.294 19586 981 1 2 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.469 -4.125 19586 982 1 2 . 1 1 63 63 ILE H H 63 8.741 8.741 8.258 0.483 19586 983 1 2 . 1 1 64 64 ASP N N 64 127.818 127.818 119.982 7.836 19586 984 1 2 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.235 0.003 19586 985 1 2 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.037 -2.659 19586 986 1 2 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.852 -7.071 19586 987 1 2 . 1 1 64 64 ASP H H 64 8.702 8.702 8.208 0.494 19586 988 1 2 . 1 1 65 65 PHE N N 65 118.653 118.653 119.602 -0.949 19586 989 1 2 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.738 -0.877 19586 990 1 2 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.245 -2.528 19586 991 1 2 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.400 -4.274 19586 992 1 2 . 1 1 65 65 PHE H H 65 8.847 8.847 8.951 -0.104 19586 993 1 2 . 1 1 67 67 GLU N N 67 117.631 117.631 117.102 0.529 19586 994 1 2 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.180 -0.277 19586 995 1 2 . 1 1 67 67 GLU CA C 67 56.337 56.337 58.573 -2.236 19586 996 1 2 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.820 -2.776 19586 997 1 2 . 1 1 67 67 GLU H H 67 7.940 7.940 8.879 -0.939 19586 998 1 2 . 1 1 68 68 PHE N N 68 123.289 123.289 120.193 3.096 19586 999 1 2 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.251 -0.411 19586 1000 1 2 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.632 -1.905 19586 1001 1 2 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.304 -1.732 19586 1002 1 2 . 1 1 68 68 PHE H H 68 8.757 8.757 7.609 1.148 19586 1003 1 2 . 1 1 69 69 LEU N N 69 118.867 118.867 118.796 0.071 19586 1004 1 2 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.001 -0.756 19586 1005 1 2 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.636 -1.478 19586 1006 1 2 . 1 1 69 69 LEU CB C 69 38.256 38.256 42.003 -3.747 19586 1007 1 2 . 1 1 69 69 LEU H H 69 8.403 8.403 7.886 0.517 19586 1008 1 2 . 1 1 70 70 THR N N 70 116.302 116.302 113.946 2.356 19586 1009 1 2 . 1 1 70 70 THR HA H 70 3.624 3.624 3.969 -0.345 19586 1010 1 2 . 1 1 70 70 THR CA C 70 63.843 63.843 65.344 -1.500 19586 1011 1 2 . 1 1 70 70 THR CB C 70 65.502 65.502 68.539 -3.037 19586 1012 1 2 . 1 1 70 70 THR H H 70 7.540 7.540 7.770 -0.230 19586 1013 1 2 . 1 1 71 71 MET N N 71 121.710 121.710 121.127 0.583 19586 1014 1 2 . 1 1 71 71 MET HA H 71 3.903 3.903 4.119 -0.216 19586 1015 1 2 . 1 1 71 71 MET CA C 71 56.303 56.303 57.393 -1.090 19586 1016 1 2 . 1 1 71 71 MET CB C 71 29.706 29.706 31.814 -2.108 19586 1017 1 2 . 1 1 71 71 MET H H 71 7.723 7.723 7.380 0.343 19586 1018 1 2 . 1 1 72 72 MET N N 72 116.535 116.535 117.689 -1.154 19586 1019 1 2 . 1 1 72 72 MET HA H 72 3.773 3.773 4.218 -0.445 19586 1020 1 2 . 1 1 72 72 MET CA C 72 53.307 53.307 57.717 -4.410 19586 1021 1 2 . 1 1 72 72 MET CB C 72 28.787 28.787 32.425 -3.639 19586 1022 1 2 . 1 1 72 72 MET H H 72 7.982 7.982 7.767 0.215 19586 1023 1 2 . 1 1 73 73 ALA N N 73 121.584 121.584 122.725 -1.141 19586 1024 1 2 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.013 -0.133 19586 1025 1 2 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.519 -2.424 19586 1026 1 2 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.207 -2.865 19586 1027 1 2 . 1 1 73 73 ALA H H 73 8.074 8.074 7.489 0.585 19586 1028 1 2 . 1 1 74 74 ARG N N 74 115.784 115.784 117.228 -1.444 19586 1029 1 2 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.081 -0.178 19586 1030 1 2 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.461 -2.730 19586 1031 1 2 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.371 -2.384 19586 1032 1 2 . 1 1 74 74 ARG H H 74 7.358 7.358 7.756 -0.398 19586 1033 1 2 . 1 1 75 75 LYS N N 75 117.245 117.245 117.795 -0.550 19586 1034 1 2 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.266 -0.317 19586 1035 1 2 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.406 -3.458 19586 1036 1 2 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.279 -5.879 19586 1037 1 2 . 1 1 75 75 LYS H H 75 7.640 7.640 7.825 -0.185 19586 1038 1 2 . 1 1 76 76 MET N N 76 117.971 117.971 120.264 -2.293 19586 1039 1 2 . 1 1 76 76 MET HA H 76 4.242 4.242 4.434 -0.192 19586 1040 1 2 . 1 1 76 76 MET CA C 76 53.947 53.947 53.156 0.791 19586 1041 1 2 . 1 1 76 76 MET CB C 76 29.478 29.478 31.005 -1.527 19586 1042 1 2 . 1 1 76 76 MET H H 76 7.794 7.794 7.652 0.142 19586 1043 1 2 . 1 1 77 77 LYS N N 77 119.902 119.902 122.932 -3.030 19586 1044 1 2 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.383 -0.231 19586 1045 1 2 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.656 -1.373 19586 1046 1 2 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.344 -0.866 19586 1047 1 2 . 1 1 77 77 LYS H H 77 7.622 7.622 7.636 -0.014 19586 1048 1 2 . 1 1 78 78 ASP N N 78 119.146 119.146 119.844 -0.698 19586 1049 1 2 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.368 -0.125 19586 1050 1 2 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.963 -2.902 19586 1051 1 2 . 1 1 78 78 ASP H H 78 7.991 7.991 7.949 0.042 19586 1052 1 2 . 1 1 79 79 THR N N 79 112.750 112.750 111.142 1.608 19586 1053 1 2 . 1 1 79 79 THR HA H 79 4.170 4.170 4.362 -0.192 19586 1054 1 2 . 1 1 79 79 THR CA C 79 59.030 59.030 61.668 -2.638 19586 1055 1 2 . 1 1 79 79 THR CB C 79 67.668 67.668 70.163 -2.495 19586 1056 1 2 . 1 1 79 79 THR H H 79 7.587 7.587 7.825 -0.238 19586 1057 1 2 . 1 1 80 80 ASP N N 80 122.888 122.888 120.416 2.472 19586 1058 1 2 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.662 -0.291 19586 1059 1 2 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.589 -3.739 19586 1060 1 2 . 1 1 80 80 ASP CB C 80 37.353 37.353 41.905 -4.552 19586 1061 1 2 . 1 1 80 80 ASP H H 80 8.354 8.354 8.636 -0.282 19586 1062 1 2 . 1 1 81 81 SER N N 81 117.571 117.571 115.851 1.720 19586 1063 1 2 . 1 1 81 81 SER HA H 81 4.115 4.115 4.222 -0.107 19586 1064 1 2 . 1 1 81 81 SER CA C 81 57.717 57.717 61.295 -3.578 19586 1065 1 2 . 1 1 81 81 SER CB C 81 60.884 60.884 63.485 -2.601 19586 1066 1 2 . 1 1 81 81 SER H H 81 8.232 8.232 8.611 -0.379 19586 1067 1 2 . 1 1 82 82 GLU N N 82 121.860 121.860 121.895 -0.035 19586 1068 1 2 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.043 -0.160 19586 1069 1 2 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.834 -3.127 19586 1070 1 2 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.217 0.375 19586 1071 1 2 . 1 1 82 82 GLU H H 82 8.364 8.364 8.763 -0.399 19586 1072 1 2 . 1 1 83 83 GLU N N 83 119.398 119.398 117.959 1.439 19586 1073 1 2 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.103 -0.220 19586 1074 1 2 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.185 -2.579 19586 1075 1 2 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.261 0.103 19586 1076 1 2 . 1 1 83 83 GLU H H 83 8.032 8.032 8.808 -0.776 19586 1077 1 2 . 1 1 84 84 GLU N N 84 118.279 118.279 118.714 -0.435 19586 1078 1 2 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.400 -0.529 19586 1079 1 2 . 1 1 84 84 GLU CA C 84 56.606 56.606 57.993 -1.387 19586 1080 1 2 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.495 -3.679 19586 1081 1 2 . 1 1 84 84 GLU H H 84 8.153 8.153 7.690 0.463 19586 1082 1 2 . 1 1 85 85 ILE N N 85 120.970 120.970 120.647 0.323 19586 1083 1 2 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.852 -0.240 19586 1084 1 2 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.174 -0.735 19586 1085 1 2 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.366 -3.758 19586 1086 1 2 . 1 1 85 85 ILE H H 85 7.927 7.927 8.123 -0.196 19586 1087 1 2 . 1 1 86 86 ARG N N 86 121.766 121.766 118.870 2.896 19586 1088 1 2 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.167 -0.159 19586 1089 1 2 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.280 -1.765 19586 1090 1 2 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.136 -3.280 19586 1091 1 2 . 1 1 86 86 ARG H H 86 8.233 8.233 8.440 -0.207 19586 1092 1 2 . 1 1 87 87 GLU N N 87 118.369 118.369 118.830 -0.461 19586 1093 1 2 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.220 -0.318 19586 1094 1 2 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.035 -1.429 19586 1095 1 2 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.276 -3.459 19586 1096 1 2 . 1 1 87 87 GLU H H 87 8.156 8.156 7.760 0.396 19586 1097 1 2 . 1 1 88 88 ALA N N 88 120.337 120.337 120.157 0.180 19586 1098 1 2 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.514 -0.565 19586 1099 1 2 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.349 -0.086 19586 1100 1 2 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.811 -4.731 19586 1101 1 2 . 1 1 88 88 ALA H H 88 7.877 7.877 7.621 0.256 19586 1102 1 2 . 1 1 89 89 PHE N N 89 118.191 118.191 121.309 -3.118 19586 1103 1 2 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.132 -1.017 19586 1104 1 2 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.588 -0.885 19586 1105 1 2 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.842 -3.068 19586 1106 1 2 . 1 1 89 89 PHE H H 89 8.459 8.459 7.682 0.777 19586 1107 1 2 . 1 1 90 90 ARG N N 90 115.953 115.953 117.825 -1.872 19586 1108 1 2 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.383 -0.478 19586 1109 1 2 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.691 -2.523 19586 1110 1 2 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.820 -2.166 19586 1111 1 2 . 1 1 90 90 ARG H H 90 7.764 7.764 7.912 -0.148 19586 1112 1 2 . 1 1 91 91 VAL N N 91 118.202 118.202 118.145 0.057 19586 1113 1 2 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.865 -0.580 19586 1114 1 2 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.103 -0.746 19586 1115 1 2 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.371 -2.927 19586 1116 1 2 . 1 1 91 91 VAL H H 91 7.229 7.229 7.653 -0.424 19586 1117 1 2 . 1 1 92 92 PHE N N 92 112.447 112.447 118.743 -6.296 19586 1118 1 2 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.368 -0.423 19586 1119 1 2 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.532 -0.503 19586 1120 1 2 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.393 -1.555 19586 1121 1 2 . 1 1 92 92 PHE H H 92 6.699 6.699 7.482 -0.783 19586 1122 1 2 . 1 1 93 93 ASP N N 93 116.461 116.461 117.950 -1.489 19586 1123 1 2 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.433 0.043 19586 1124 1 2 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.694 -4.169 19586 1125 1 2 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.716 -5.533 19586 1126 1 2 . 1 1 93 93 ASP H H 93 7.881 7.881 8.142 -0.261 19586 1127 1 2 . 1 1 94 94 LYS N N 94 125.494 125.494 122.441 3.053 19586 1128 1 2 . 1 1 94 94 LYS HA H 94 3.668 3.668 3.978 -0.310 19586 1129 1 2 . 1 1 94 94 LYS CA C 94 55.976 55.976 59.310 -3.334 19586 1130 1 2 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.644 -1.230 19586 1131 1 2 . 1 1 94 94 LYS H H 94 7.596 7.596 8.507 -0.911 19586 1132 1 2 . 1 1 95 95 ASP N N 95 114.015 114.015 118.127 -4.112 19586 1133 1 2 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.588 -0.173 19586 1134 1 2 . 1 1 95 95 ASP CA C 95 50.307 50.307 55.146 -4.839 19586 1135 1 2 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.233 -5.460 19586 1136 1 2 . 1 1 95 95 ASP H H 95 8.097 8.097 7.838 0.259 19586 1137 1 2 . 1 1 96 96 GLY N N 96 109.147 109.147 107.488 1.659 19586 1138 1 2 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.135 -0.791 19586 1139 1 2 . 1 1 96 96 GLY H H 96 7.677 7.677 8.346 -0.669 19586 1140 1 2 . 1 1 97 97 ASN N N 97 119.575 119.575 119.330 0.245 19586 1141 1 2 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.922 -0.422 19586 1142 1 2 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.577 -2.661 19586 1143 1 2 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.995 -3.812 19586 1144 1 2 . 1 1 97 97 ASN H H 97 8.252 8.252 8.234 0.018 19586 1145 1 2 . 1 1 98 98 GLY N N 98 112.465 112.465 105.942 6.523 19586 1146 1 2 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.887 -3.595 19586 1147 1 2 . 1 1 98 98 GLY H H 98 10.462 10.462 8.435 2.027 19586 1148 1 2 . 1 1 99 99 TYR N N 99 116.256 116.256 118.011 -1.755 19586 1149 1 2 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.900 -0.018 19586 1150 1 2 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.847 -3.265 19586 1151 1 2 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.923 -1.942 19586 1152 1 2 . 1 1 99 99 TYR H H 99 7.557 7.557 7.654 -0.097 19586 1153 1 2 . 1 1 100 100 ILE N N 100 126.957 126.957 121.907 5.050 19586 1154 1 2 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.237 0.220 19586 1155 1 2 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.962 -2.346 19586 1156 1 2 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.917 -3.485 19586 1157 1 2 . 1 1 100 100 ILE H H 100 9.972 9.972 9.052 0.920 19586 1158 1 2 . 1 1 101 101 SER N N 101 123.739 123.739 122.056 1.683 19586 1159 1 2 . 1 1 101 101 SER HA H 101 4.711 4.711 4.384 0.327 19586 1160 1 2 . 1 1 101 101 SER CA C 101 52.897 52.897 58.196 -5.299 19586 1161 1 2 . 1 1 101 101 SER CB C 101 64.134 64.134 64.152 -0.018 19586 1162 1 2 . 1 1 101 101 SER H H 101 8.844 8.844 8.657 0.187 19586 1163 1 2 . 1 1 102 102 ALA N N 102 123.028 123.028 126.715 -3.687 19586 1164 1 2 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.132 -0.421 19586 1165 1 2 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.052 -1.959 19586 1166 1 2 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.998 -3.884 19586 1167 1 2 . 1 1 102 102 ALA H H 102 9.178 9.178 8.652 0.526 19586 1168 1 2 . 1 1 103 103 ALA N N 103 118.443 118.443 118.182 0.261 19586 1169 1 2 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.376 -0.515 19586 1170 1 2 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.042 -0.633 19586 1171 1 2 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.806 -2.350 19586 1172 1 2 . 1 1 103 103 ALA H H 103 8.132 8.132 8.237 -0.105 19586 1173 1 2 . 1 1 104 104 GLU N N 104 120.139 120.139 119.983 0.156 19586 1174 1 2 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.062 -0.223 19586 1175 1 2 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.255 -2.692 19586 1176 1 2 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.474 -3.074 19586 1177 1 2 . 1 1 104 104 GLU H H 104 7.786 7.786 7.505 0.281 19586 1178 1 2 . 1 1 105 105 LEU N N 105 121.545 121.545 119.093 2.452 19586 1179 1 2 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.807 0.095 19586 1180 1 2 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.714 -1.982 19586 1181 1 2 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.329 -1.120 19586 1182 1 2 . 1 1 105 105 LEU H H 105 8.240 8.240 7.861 0.379 19586 1183 1 2 . 1 1 106 106 ARG N N 106 118.625 118.625 118.456 0.169 19586 1184 1 2 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.923 -0.084 19586 1185 1 2 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.051 -1.706 19586 1186 1 2 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.345 1.045 19586 1187 1 2 . 1 1 106 106 ARG H H 106 8.761 8.761 8.430 0.331 19586 1188 1 2 . 1 1 107 107 HIS N N 107 119.052 119.052 118.457 0.595 19586 1189 1 2 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.331 -0.429 19586 1190 1 2 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.589 -2.782 19586 1191 1 2 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.264 -3.066 19586 1192 1 2 . 1 1 107 107 HIS H H 107 7.946 7.946 7.347 0.599 19586 1193 1 2 . 1 1 108 108 VAL N N 108 119.160 119.160 120.876 -1.716 19586 1194 1 2 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.648 -0.206 19586 1195 1 2 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.631 -2.346 19586 1196 1 2 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.836 -2.928 19586 1197 1 2 . 1 1 108 108 VAL H H 108 7.736 7.736 8.522 -0.786 19586 1198 1 2 . 1 1 109 109 MET N N 109 115.333 115.333 116.535 -1.202 19586 1199 1 2 . 1 1 109 109 MET HA H 109 4.139 4.139 3.981 0.158 19586 1200 1 2 . 1 1 109 109 MET CA C 109 54.686 54.686 57.909 -3.223 19586 1201 1 2 . 1 1 109 109 MET CB C 109 29.706 29.706 31.054 -1.348 19586 1202 1 2 . 1 1 109 109 MET H H 109 8.074 8.074 8.814 -0.740 19586 1203 1 2 . 1 1 110 110 THR N N 110 116.714 116.714 114.599 2.115 19586 1204 1 2 . 1 1 110 110 THR HA H 110 3.935 3.935 4.100 -0.165 19586 1205 1 2 . 1 1 110 110 THR CA C 110 63.845 63.845 65.847 -2.002 19586 1206 1 2 . 1 1 110 110 THR CB C 110 66.072 66.072 68.440 -2.368 19586 1207 1 2 . 1 1 110 110 THR H H 110 8.515 8.515 7.526 0.989 19586 1208 1 2 . 1 1 111 111 ASN N N 111 123.784 123.784 119.759 4.025 19586 1209 1 2 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.528 -0.286 19586 1210 1 2 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.181 -2.088 19586 1211 1 2 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.153 -2.861 19586 1212 1 2 . 1 1 111 111 ASN H H 111 7.890 7.890 7.514 0.376 19586 1213 1 2 . 1 1 112 112 LEU N N 112 118.227 118.227 116.367 1.860 19586 1214 1 2 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.178 -0.063 19586 1215 1 2 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.572 -1.919 19586 1216 1 2 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.040 -2.302 19586 1217 1 2 . 1 1 112 112 LEU H H 112 7.621 7.621 7.635 -0.014 19586 1218 1 2 . 1 1 113 113 GLY N N 113 106.787 106.787 105.973 0.814 19586 1219 1 2 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.858 -2.322 19586 1220 1 2 . 1 1 113 113 GLY H H 113 7.701 7.701 7.484 0.217 19586 1221 1 2 . 1 1 114 114 GLU N N 114 120.288 120.288 120.166 0.122 19586 1222 1 2 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.536 -0.294 19586 1223 1 2 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.860 -1.793 19586 1224 1 2 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.735 -4.119 19586 1225 1 2 . 1 1 114 114 GLU H H 114 7.864 7.864 8.116 -0.252 19586 1226 1 2 . 1 1 115 115 LYS N N 115 124.987 124.987 126.693 -1.706 19586 1227 1 2 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.348 -0.125 19586 1228 1 2 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.533 -3.686 19586 1229 1 2 . 1 1 115 115 LYS CB C 115 30.957 30.957 32.099 -1.142 19586 1230 1 2 . 1 1 115 115 LYS H H 115 8.491 8.491 8.560 -0.069 19586 1231 1 2 . 1 1 116 116 LEU N N 116 124.912 124.912 126.196 -1.284 19586 1232 1 2 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.741 -0.029 19586 1233 1 2 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.376 -2.287 19586 1234 1 2 . 1 1 116 116 LEU CB C 116 42.588 42.588 45.253 -2.665 19586 1235 1 2 . 1 1 116 116 LEU H H 116 7.978 7.978 8.086 -0.108 19586 1236 1 2 . 1 1 117 117 THR N N 117 114.220 114.220 113.879 0.341 19586 1237 1 2 . 1 1 117 117 THR HA H 117 4.302 4.302 4.465 -0.163 19586 1238 1 2 . 1 1 117 117 THR CA C 117 57.834 57.834 60.469 -2.635 19586 1239 1 2 . 1 1 117 117 THR CB C 117 68.580 68.580 70.361 -1.781 19586 1240 1 2 . 1 1 117 117 THR H H 117 9.093 9.093 8.094 0.999 19586 1241 1 2 . 1 1 118 118 ASP N N 118 120.925 120.925 122.001 -1.076 19586 1242 1 2 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.257 -0.199 19586 1243 1 2 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.876 -2.633 19586 1244 1 2 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.815 -3.813 19586 1245 1 2 . 1 1 118 118 ASP H H 118 8.764 8.764 8.742 0.022 19586 1246 1 2 . 1 1 119 119 GLU N N 119 119.395 119.395 118.097 1.298 19586 1247 1 2 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.001 -0.074 19586 1248 1 2 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.133 -1.984 19586 1249 1 2 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.980 -3.049 19586 1250 1 2 . 1 1 119 119 GLU H H 119 8.509 8.509 8.657 -0.148 19586 1251 1 2 . 1 1 120 120 GLU N N 120 119.909 119.909 118.482 1.427 19586 1252 1 2 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.179 -0.283 19586 1253 1 2 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.569 -2.250 19586 1254 1 2 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.736 -3.906 19586 1255 1 2 . 1 1 120 120 GLU H H 120 7.585 7.585 7.730 -0.145 19586 1256 1 2 . 1 1 121 121 VAL N N 121 122.092 122.092 116.583 5.509 19586 1257 1 2 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.946 -0.504 19586 1258 1 2 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.952 -0.862 19586 1259 1 2 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.049 -2.369 19586 1260 1 2 . 1 1 121 121 VAL H H 121 7.849 7.849 7.199 0.650 19586 1261 1 2 . 1 1 122 122 ASP N N 122 120.167 120.167 121.447 -1.280 19586 1262 1 2 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.283 -0.126 19586 1263 1 2 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.505 -3.604 19586 1264 1 2 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.965 -3.393 19586 1265 1 2 . 1 1 122 122 ASP H H 122 7.912 7.912 8.676 -0.764 19586 1266 1 2 . 1 1 123 123 GLU N N 123 119.087 119.087 118.528 0.559 19586 1267 1 2 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.137 -0.241 19586 1268 1 2 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.892 -2.280 19586 1269 1 2 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.663 -3.491 19586 1270 1 2 . 1 1 123 123 GLU H H 123 7.839 7.839 7.724 0.115 19586 1271 1 2 . 1 1 124 124 MET N N 124 118.897 118.897 117.757 1.140 19586 1272 1 2 . 1 1 124 124 MET HA H 124 3.867 3.867 4.271 -0.404 19586 1273 1 2 . 1 1 124 124 MET CA C 124 56.905 56.905 59.062 -2.158 19586 1274 1 2 . 1 1 124 124 MET CB C 124 29.250 29.250 33.197 -3.946 19586 1275 1 2 . 1 1 124 124 MET H H 124 7.433 7.433 7.407 0.026 19586 1276 1 2 . 1 1 125 125 ILE N N 125 118.001 118.001 114.234 3.767 19586 1277 1 2 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.151 -0.771 19586 1278 1 2 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.227 -3.096 19586 1279 1 2 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.955 -4.715 19586 1280 1 2 . 1 1 125 125 ILE H H 125 7.658 7.658 8.403 -0.745 19586 1281 1 2 . 1 1 126 126 ARG N N 126 117.720 117.720 120.471 -2.751 19586 1282 1 2 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.004 -0.121 19586 1283 1 2 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.572 -2.899 19586 1284 1 2 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.269 -0.791 19586 1285 1 2 . 1 1 126 126 ARG H H 126 7.974 7.974 8.175 -0.201 19586 1286 1 2 . 1 1 127 127 GLU N N 127 117.050 117.050 116.622 0.428 19586 1287 1 2 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.251 -0.284 19586 1288 1 2 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.265 -1.946 19586 1289 1 2 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.691 -3.405 19586 1290 1 2 . 1 1 127 127 GLU H H 127 7.635 7.635 7.719 -0.084 19586 1291 1 2 . 1 1 128 128 ALA N N 128 116.966 116.966 120.600 -3.634 19586 1292 1 2 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.394 0.106 19586 1293 1 2 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.248 -4.043 19586 1294 1 2 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.373 -0.268 19586 1295 1 2 . 1 1 128 128 ALA H H 128 7.155 7.155 7.377 -0.222 19586 1296 1 2 . 1 1 129 129 ASP N N 129 118.033 118.033 119.276 -1.243 19586 1297 1 2 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.917 -0.566 19586 1298 1 2 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.148 -1.326 19586 1299 1 2 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.887 -4.201 19586 1300 1 2 . 1 1 129 129 ASP H H 129 7.806 7.806 7.660 0.146 19586 1301 1 2 . 1 1 130 130 ILE N N 130 127.927 127.927 121.900 6.027 19586 1302 1 2 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.142 -0.345 19586 1303 1 2 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.764 -2.242 19586 1304 1 2 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.075 -1.985 19586 1305 1 2 . 1 1 130 130 ILE H H 130 8.115 8.115 8.540 -0.425 19586 1306 1 2 . 1 1 131 131 ASP N N 131 116.634 116.634 119.531 -2.897 19586 1307 1 2 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.741 -0.398 19586 1308 1 2 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.473 -2.286 19586 1309 1 2 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.230 -3.762 19586 1310 1 2 . 1 1 131 131 ASP H H 131 8.202 8.202 7.940 0.262 19586 1311 1 2 . 1 1 132 132 GLY N N 132 108.586 108.586 109.035 -0.449 19586 1312 1 2 . 1 1 132 132 GLY CA C 132 44.638 44.638 46.022 -1.384 19586 1313 1 2 . 1 1 132 132 GLY H H 132 7.535 7.535 7.460 0.075 19586 1314 1 2 . 1 1 133 133 ASP N N 133 120.377 120.377 120.274 0.103 19586 1315 1 2 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.575 -0.224 19586 1316 1 2 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.655 -3.713 19586 1317 1 2 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.256 -3.798 19586 1318 1 2 . 1 1 133 133 ASP H H 133 8.215 8.215 8.824 -0.609 19586 1319 1 2 . 1 1 134 134 GLY N N 134 112.226 112.226 107.192 5.034 19586 1320 1 2 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.328 -2.206 19586 1321 1 2 . 1 1 134 134 GLY H H 134 9.971 9.971 8.536 1.435 19586 1322 1 2 . 1 1 135 135 GLN N N 135 115.229 115.229 117.218 -1.989 19586 1323 1 2 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.851 -0.720 19586 1324 1 2 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.650 -4.196 19586 1325 1 2 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.025 -3.411 19586 1326 1 2 . 1 1 135 135 GLN H H 135 7.835 7.835 7.530 0.305 19586 1327 1 2 . 1 1 136 136 VAL N N 136 125.238 125.238 122.360 2.878 19586 1328 1 2 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.515 0.581 19586 1329 1 2 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.094 -2.381 19586 1330 1 2 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.476 -2.060 19586 1331 1 2 . 1 1 136 136 VAL H H 136 8.958 8.958 9.071 -0.113 19586 1332 1 2 . 1 1 137 137 ASN N N 137 129.058 129.058 125.752 3.306 19586 1333 1 2 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.902 0.324 19586 1334 1 2 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.895 -3.543 19586 1335 1 2 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.058 -3.418 19586 1336 1 2 . 1 1 137 137 ASN H H 137 9.435 9.435 8.648 0.787 19586 1337 1 2 . 1 1 138 138 TYR N N 138 118.627 118.627 117.678 0.949 19586 1338 1 2 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.301 -1.109 19586 1339 1 2 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.890 -1.221 19586 1340 1 2 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.390 0.182 19586 1341 1 2 . 1 1 138 138 TYR H H 138 8.146 8.146 7.798 0.348 19586 1342 1 2 . 1 1 139 139 GLU N N 139 118.701 118.701 119.593 -0.892 19586 1343 1 2 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.878 -0.367 19586 1344 1 2 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.149 -1.609 19586 1345 1 2 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.925 -2.651 19586 1346 1 2 . 1 1 139 139 GLU H H 139 7.974 7.974 7.673 0.301 19586 1347 1 2 . 1 1 140 140 GLU N N 140 119.774 119.774 119.042 0.732 19586 1348 1 2 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.143 -0.232 19586 1349 1 2 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.891 -2.866 19586 1350 1 2 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.654 -3.380 19586 1351 1 2 . 1 1 140 140 GLU H H 140 8.676 8.676 7.670 1.006 19586 1352 1 2 . 1 1 141 141 PHE N N 141 124.074 124.074 120.464 3.610 19586 1353 1 2 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.132 -0.485 19586 1354 1 2 . 1 1 141 141 PHE CA C 141 59.447 59.447 61.161 -1.714 19586 1355 1 2 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.131 -1.445 19586 1356 1 2 . 1 1 141 141 PHE H H 141 8.507 8.507 7.659 0.848 19586 1357 1 2 . 1 1 142 142 VAL N N 142 119.203 119.203 114.695 4.508 19586 1358 1 2 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.139 -0.181 19586 1359 1 2 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.388 -0.955 19586 1360 1 2 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.330 -1.422 19586 1361 1 2 . 1 1 142 142 VAL H H 142 8.639 8.639 7.261 1.378 19586 1362 1 2 . 1 1 143 143 GLN N N 143 120.173 120.173 120.502 -0.329 19586 1363 1 2 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.935 -0.264 19586 1364 1 2 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.840 -2.326 19586 1365 1 2 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.574 -3.328 19586 1366 1 2 . 1 1 143 143 GLN H H 143 7.818 7.818 7.376 0.442 19586 1367 1 2 . 1 1 144 144 MET N N 144 118.573 118.573 115.559 3.014 19586 1368 1 2 . 1 1 144 144 MET HA H 144 3.882 3.882 4.268 -0.386 19586 1369 1 2 . 1 1 144 144 MET CA C 144 55.683 55.683 57.573 -1.890 19586 1370 1 2 . 1 1 144 144 MET CB C 144 28.110 28.110 32.986 -4.876 19586 1371 1 2 . 1 1 144 144 MET H H 144 7.403 7.403 8.156 -0.753 19586 1372 1 2 . 1 1 145 145 MET N N 145 114.053 114.053 117.154 -3.101 19586 1373 1 2 . 1 1 145 145 MET HA H 145 3.940 3.940 4.201 -0.261 19586 1374 1 2 . 1 1 145 145 MET CA C 145 53.630 53.630 58.444 -4.814 19586 1375 1 2 . 1 1 145 145 MET CB C 145 29.592 29.592 32.494 -2.902 19586 1376 1 2 . 1 1 145 145 MET H H 145 7.534 7.534 7.222 0.312 19586 1377 1 2 . 1 1 146 146 THR N N 146 109.275 109.275 115.976 -6.701 19586 1378 1 2 . 1 1 146 146 THR HA H 146 4.175 4.175 4.101 0.074 19586 1379 1 2 . 1 1 146 146 THR CA C 146 59.251 59.251 64.464 -5.213 19586 1380 1 2 . 1 1 146 146 THR CB C 146 67.896 67.896 69.239 -1.343 19586 1381 1 2 . 1 1 146 146 THR H H 146 7.554 7.554 7.998 -0.444 19586 1382 1 2 . 1 1 147 147 ALA N N 147 126.913 126.913 122.452 4.461 19586 1383 1 2 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.600 -0.483 19586 1384 1 2 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.517 -1.210 19586 1385 1 2 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.094 -3.758 19586 1386 1 2 . 1 1 147 147 ALA H H 147 7.406 7.406 7.380 0.026 19586 1387 1 3 . 1 1 2 2 ASP N N 2 120.378 120.378 121.924 -1.546 19586 1388 1 3 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.823 -0.238 19586 1389 1 3 . 1 1 2 2 ASP CA C 2 51.960 51.960 53.840 -1.880 19586 1390 1 3 . 1 1 2 2 ASP H H 2 8.506 8.506 8.401 0.105 19586 1391 1 3 . 1 1 3 3 GLN N N 3 119.707 119.707 120.414 -0.707 19586 1392 1 3 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.588 -0.376 19586 1393 1 3 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.526 -2.791 19586 1394 1 3 . 1 1 3 3 GLN CB C 3 31.074 31.074 30.451 0.623 19586 1395 1 3 . 1 1 3 3 GLN H H 3 8.208 8.208 8.495 -0.287 19586 1396 1 3 . 1 1 4 4 LEU N N 4 123.069 123.069 122.779 0.290 19586 1397 1 3 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.547 -0.407 19586 1398 1 3 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.201 -3.543 19586 1399 1 3 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.925 -3.301 19586 1400 1 3 . 1 1 4 4 LEU H H 4 8.181 8.181 8.617 -0.436 19586 1401 1 3 . 1 1 5 5 THR N N 5 112.909 112.909 111.668 1.241 19586 1402 1 3 . 1 1 5 5 THR HA H 5 4.322 4.322 4.584 -0.262 19586 1403 1 3 . 1 1 5 5 THR CA C 5 57.687 57.687 61.132 -3.445 19586 1404 1 3 . 1 1 5 5 THR CB C 5 68.580 68.580 70.839 -2.259 19586 1405 1 3 . 1 1 5 5 THR H H 5 8.607 8.607 7.795 0.812 19586 1406 1 3 . 1 1 6 6 GLU N N 6 120.224 120.224 126.285 -6.061 19586 1407 1 3 . 1 1 6 6 GLU HA H 6 3.825 3.825 3.902 -0.077 19586 1408 1 3 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.358 -2.111 19586 1409 1 3 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.163 -0.027 19586 1410 1 3 . 1 1 6 6 GLU H H 6 8.877 8.877 9.101 -0.224 19586 1411 1 3 . 1 1 7 7 GLU N N 7 119.350 119.350 115.893 3.457 19586 1412 1 3 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.104 -0.187 19586 1413 1 3 . 1 1 7 7 GLU CA C 7 57.198 57.198 57.986 -0.788 19586 1414 1 3 . 1 1 7 7 GLU CB C 7 26.274 26.274 28.901 -2.627 19586 1415 1 3 . 1 1 7 7 GLU H H 7 8.524 8.524 8.523 0.001 19586 1416 1 3 . 1 1 8 8 GLN N N 8 119.917 119.917 117.709 2.208 19586 1417 1 3 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.196 -0.293 19586 1418 1 3 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.959 -1.982 19586 1419 1 3 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.955 -3.555 19586 1420 1 3 . 1 1 8 8 GLN H H 8 7.603 7.603 7.758 -0.155 19586 1421 1 3 . 1 1 9 9 ILE N N 9 119.503 119.503 110.635 8.868 19586 1422 1 3 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.596 -0.957 19586 1423 1 3 . 1 1 9 9 ILE CA C 9 63.796 63.796 60.534 3.262 19586 1424 1 3 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.773 -3.595 19586 1425 1 3 . 1 1 9 9 ILE H H 9 8.260 8.260 7.550 0.710 19586 1426 1 3 . 1 1 10 10 ALA N N 10 121.044 121.044 124.459 -3.415 19586 1427 1 3 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.316 -0.355 19586 1428 1 3 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.304 -1.602 19586 1429 1 3 . 1 1 10 10 ALA CB C 10 15.114 15.114 19.216 -4.102 19586 1430 1 3 . 1 1 10 10 ALA H H 10 7.840 7.840 7.804 0.036 19586 1431 1 3 . 1 1 11 11 GLU N N 11 119.113 119.113 119.189 -0.076 19586 1432 1 3 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.371 -0.463 19586 1433 1 3 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.749 -1.186 19586 1434 1 3 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.537 -3.137 19586 1435 1 3 . 1 1 11 11 GLU H H 11 7.635 7.635 8.484 -0.849 19586 1436 1 3 . 1 1 12 12 PHE N N 12 119.574 119.574 119.408 0.166 19586 1437 1 3 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.280 0.506 19586 1438 1 3 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.530 -4.576 19586 1439 1 3 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.393 -4.329 19586 1440 1 3 . 1 1 12 12 PHE H H 12 8.441 8.441 8.289 0.152 19586 1441 1 3 . 1 1 13 13 LYS N N 13 123.454 123.454 119.174 4.280 19586 1442 1 3 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.423 -0.520 19586 1443 1 3 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.150 -0.854 19586 1444 1 3 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.236 -2.644 19586 1445 1 3 . 1 1 13 13 LYS H H 13 9.103 9.103 8.010 1.093 19586 1446 1 3 . 1 1 14 14 GLU N N 14 119.525 119.525 117.802 1.723 19586 1447 1 3 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.331 -0.420 19586 1448 1 3 . 1 1 14 14 GLU CA C 14 56.465 56.465 56.975 -0.510 19586 1449 1 3 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.527 -4.025 19586 1450 1 3 . 1 1 14 14 GLU H H 14 7.667 7.667 8.188 -0.521 19586 1451 1 3 . 1 1 15 15 ALA N N 15 121.983 121.983 122.504 -0.521 19586 1452 1 3 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.123 -0.162 19586 1453 1 3 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.315 -1.563 19586 1454 1 3 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.676 -3.448 19586 1455 1 3 . 1 1 15 15 ALA H H 15 7.816 7.816 8.021 -0.205 19586 1456 1 3 . 1 1 16 16 PHE N N 16 118.874 118.874 119.990 -1.116 19586 1457 1 3 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.112 -1.017 19586 1458 1 3 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.172 -0.628 19586 1459 1 3 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.080 -2.306 19586 1460 1 3 . 1 1 16 16 PHE H H 16 8.764 8.764 7.958 0.806 19586 1461 1 3 . 1 1 17 17 SER N N 17 111.578 111.578 113.231 -1.653 19586 1462 1 3 . 1 1 17 17 SER HA H 17 3.979 3.979 4.360 -0.381 19586 1463 1 3 . 1 1 17 17 SER CA C 17 58.567 58.567 60.127 -1.560 19586 1464 1 3 . 1 1 17 17 SER CB C 17 60.600 60.600 62.882 -2.281 19586 1465 1 3 . 1 1 17 17 SER H H 17 7.825 7.825 8.470 -0.645 19586 1466 1 3 . 1 1 18 18 LEU N N 18 121.167 121.167 120.627 0.540 19586 1467 1 3 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.926 0.020 19586 1468 1 3 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.457 -2.849 19586 1469 1 3 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.021 -2.383 19586 1470 1 3 . 1 1 18 18 LEU H H 18 7.240 7.240 7.332 -0.092 19586 1471 1 3 . 1 1 19 19 PHE N N 19 114.405 114.405 112.778 1.627 19586 1472 1 3 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.299 -0.388 19586 1473 1 3 . 1 1 19 19 PHE CA C 19 57.247 57.247 58.688 -1.441 19586 1474 1 3 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.758 -5.948 19586 1475 1 3 . 1 1 19 19 PHE H H 19 7.090 7.090 7.166 -0.076 19586 1476 1 3 . 1 1 20 20 ASP N N 20 115.823 115.823 119.995 -4.172 19586 1477 1 3 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.420 0.056 19586 1478 1 3 . 1 1 20 20 ASP CA C 20 49.476 49.476 53.776 -4.300 19586 1479 1 3 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.106 -2.324 19586 1480 1 3 . 1 1 20 20 ASP H H 20 7.662 7.662 7.950 -0.288 19586 1481 1 3 . 1 1 21 21 LYS N N 21 124.906 124.906 121.033 3.873 19586 1482 1 3 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.119 -0.333 19586 1483 1 3 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.408 -1.383 19586 1484 1 3 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.442 -2.742 19586 1485 1 3 . 1 1 21 21 LYS H H 21 7.539 7.539 7.931 -0.392 19586 1486 1 3 . 1 1 22 22 ASP N N 22 113.550 113.550 118.008 -4.458 19586 1487 1 3 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.613 -0.182 19586 1488 1 3 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.693 -4.728 19586 1489 1 3 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.907 -5.133 19586 1490 1 3 . 1 1 22 22 ASP H H 22 7.965 7.965 7.646 0.319 19586 1491 1 3 . 1 1 23 23 GLY N N 23 109.354 109.354 107.971 1.383 19586 1492 1 3 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.876 -1.434 19586 1493 1 3 . 1 1 23 23 GLY H H 23 7.606 7.606 8.306 -0.700 19586 1494 1 3 . 1 1 24 24 ASP N N 24 120.643 120.643 121.314 -0.671 19586 1495 1 3 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.775 -0.420 19586 1496 1 3 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.483 -2.443 19586 1497 1 3 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.088 -3.402 19586 1498 1 3 . 1 1 24 24 ASP H H 24 8.266 8.266 8.183 0.083 19586 1499 1 3 . 1 1 25 25 GLY N N 25 113.205 113.205 108.149 5.056 19586 1500 1 3 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.192 -2.509 19586 1501 1 3 . 1 1 25 25 GLY H H 25 10.545 10.545 8.030 2.515 19586 1502 1 3 . 1 1 26 26 THR N N 26 112.852 112.852 110.455 2.397 19586 1503 1 3 . 1 1 26 26 THR HA H 26 5.170 5.170 5.560 -0.390 19586 1504 1 3 . 1 1 26 26 THR CA C 26 56.954 56.954 59.568 -2.614 19586 1505 1 3 . 1 1 26 26 THR CB C 26 69.948 69.948 72.016 -2.067 19586 1506 1 3 . 1 1 26 26 THR H H 26 8.020 8.020 7.619 0.401 19586 1507 1 3 . 1 1 27 27 ILE N N 27 127.005 127.005 117.147 9.858 19586 1508 1 3 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.446 -0.619 19586 1509 1 3 . 1 1 27 27 ILE CA C 27 57.931 57.931 58.704 -0.773 19586 1510 1 3 . 1 1 27 27 ILE CB C 27 37.230 37.230 39.169 -1.939 19586 1511 1 3 . 1 1 27 27 ILE H H 27 9.689 9.689 7.909 1.780 19586 1512 1 3 . 1 1 28 28 THR N N 28 116.439 116.439 116.008 0.431 19586 1513 1 3 . 1 1 28 28 THR HA H 28 4.642 4.642 4.539 0.103 19586 1514 1 3 . 1 1 28 28 THR CA C 28 56.612 56.612 62.205 -5.593 19586 1515 1 3 . 1 1 28 28 THR CB C 28 69.606 69.606 69.300 0.306 19586 1516 1 3 . 1 1 28 28 THR H H 28 8.275 8.275 8.372 -0.097 19586 1517 1 3 . 1 1 29 29 THR N N 29 113.287 113.287 119.871 -6.584 19586 1518 1 3 . 1 1 29 29 THR HA H 29 3.635 3.635 4.194 -0.559 19586 1519 1 3 . 1 1 29 29 THR CA C 29 63.845 63.845 62.872 0.973 19586 1520 1 3 . 1 1 29 29 THR CB C 29 65.616 65.616 68.684 -3.068 19586 1521 1 3 . 1 1 29 29 THR H H 29 9.054 9.054 8.701 0.353 19586 1522 1 3 . 1 1 30 30 LYS N N 30 121.230 121.230 119.842 1.388 19586 1523 1 3 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.275 -0.372 19586 1524 1 3 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.419 -1.954 19586 1525 1 3 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.629 -2.929 19586 1526 1 3 . 1 1 30 30 LYS H H 30 7.578 7.578 7.875 -0.297 19586 1527 1 3 . 1 1 31 31 GLU N N 31 122.002 122.002 118.818 3.184 19586 1528 1 3 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.309 -0.446 19586 1529 1 3 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.303 -0.154 19586 1530 1 3 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.599 -2.542 19586 1531 1 3 . 1 1 31 31 GLU H H 31 7.712 7.712 8.509 -0.797 19586 1532 1 3 . 1 1 32 32 LEU N N 32 119.130 119.130 119.395 -0.265 19586 1533 1 3 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.070 -0.145 19586 1534 1 3 . 1 1 32 32 LEU CA C 32 55.529 55.529 57.372 -1.843 19586 1535 1 3 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.251 -1.270 19586 1536 1 3 . 1 1 32 32 LEU H H 32 8.509 8.509 7.939 0.570 19586 1537 1 3 . 1 1 33 33 GLY N N 33 103.747 103.747 103.713 0.034 19586 1538 1 3 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.772 -0.108 19586 1539 1 3 . 1 1 33 33 GLY H H 33 8.388 8.388 8.040 0.348 19586 1540 1 3 . 1 1 34 34 THR N N 34 117.487 117.487 116.945 0.542 19586 1541 1 3 . 1 1 34 34 THR HA H 34 3.795 3.795 4.710 -0.915 19586 1542 1 3 . 1 1 34 34 THR CA C 34 64.285 64.285 63.732 0.553 19586 1543 1 3 . 1 1 34 34 THR CB C 34 66.186 66.186 68.730 -2.544 19586 1544 1 3 . 1 1 34 34 THR H H 34 7.935 7.935 7.786 0.149 19586 1545 1 3 . 1 1 35 35 VAL N N 35 120.287 120.287 120.064 0.223 19586 1546 1 3 . 1 1 35 35 VAL H H 35 7.089 7.089 7.276 -0.187 19586 1547 1 3 . 1 1 36 36 MET N N 36 117.816 117.816 118.264 -0.448 19586 1548 1 3 . 1 1 36 36 MET HA H 36 3.911 3.911 4.196 -0.285 19586 1549 1 3 . 1 1 36 36 MET CA C 36 57.101 57.101 59.024 -1.923 19586 1550 1 3 . 1 1 36 36 MET CB C 36 29.929 29.929 32.437 -2.508 19586 1551 1 3 . 1 1 36 36 MET H H 36 8.318 8.318 7.845 0.473 19586 1552 1 3 . 1 1 37 37 ARG N N 37 117.706 117.706 119.320 -1.614 19586 1553 1 3 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.201 0.497 19586 1554 1 3 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.595 -2.423 19586 1555 1 3 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.585 -2.501 19586 1556 1 3 . 1 1 37 37 ARG H H 37 8.233 8.233 7.988 0.245 19586 1557 1 3 . 1 1 38 38 SER N N 38 118.974 118.974 114.315 4.659 19586 1558 1 3 . 1 1 38 38 SER HA H 38 4.187 4.187 4.383 -0.196 19586 1559 1 3 . 1 1 38 38 SER CA C 38 59.251 59.251 60.838 -1.587 19586 1560 1 3 . 1 1 38 38 SER CB C 38 67.782 67.782 63.114 4.668 19586 1561 1 3 . 1 1 38 38 SER H H 38 7.874 7.874 7.692 0.182 19586 1562 1 3 . 1 1 39 39 LEU N N 39 118.835 118.835 121.219 -2.384 19586 1563 1 3 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.452 -0.313 19586 1564 1 3 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.821 -3.488 19586 1565 1 3 . 1 1 39 39 LEU CB C 39 39.638 39.638 41.899 -2.261 19586 1566 1 3 . 1 1 39 39 LEU H H 39 7.248 7.248 7.740 -0.492 19586 1567 1 3 . 1 1 40 40 GLY N N 40 104.990 104.990 106.940 -1.950 19586 1568 1 3 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.543 -2.665 19586 1569 1 3 . 1 1 40 40 GLY H H 40 7.471 7.471 7.678 -0.207 19586 1570 1 3 . 1 1 41 41 GLN N N 41 118.032 118.032 118.705 -0.673 19586 1571 1 3 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.608 -0.238 19586 1572 1 3 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.230 -3.042 19586 1573 1 3 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.253 -0.635 19586 1574 1 3 . 1 1 41 41 GLN H H 41 7.860 7.860 7.885 -0.025 19586 1575 1 3 . 1 1 42 42 ASN N N 42 115.671 115.671 117.204 -1.533 19586 1576 1 3 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.119 -0.025 19586 1577 1 3 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.894 -2.200 19586 1578 1 3 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.769 -3.215 19586 1579 1 3 . 1 1 42 42 ASN H H 42 8.561 8.561 8.375 0.186 19586 1580 1 3 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.898 -0.187 19586 1581 1 3 . 1 1 44 44 THR N N 44 113.509 113.509 116.507 -2.998 19586 1582 1 3 . 1 1 44 44 THR HA H 44 4.321 4.321 4.485 -0.164 19586 1583 1 3 . 1 1 44 44 THR CA C 44 57.638 57.638 61.770 -4.131 19586 1584 1 3 . 1 1 44 44 THR CB C 44 68.466 68.466 68.547 -0.081 19586 1585 1 3 . 1 1 44 44 THR H H 44 8.882 8.882 8.216 0.666 19586 1586 1 3 . 1 1 45 45 GLU N N 45 120.506 120.506 127.841 -7.335 19586 1587 1 3 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.929 -0.049 19586 1588 1 3 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.788 -2.687 19586 1589 1 3 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.506 -3.232 19586 1590 1 3 . 1 1 45 45 GLU H H 45 8.662 8.662 8.400 0.262 19586 1591 1 3 . 1 1 46 46 ALA N N 46 120.586 120.586 121.532 -0.946 19586 1592 1 3 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.090 -0.165 19586 1593 1 3 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.416 -2.105 19586 1594 1 3 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.575 -3.494 19586 1595 1 3 . 1 1 46 46 ALA H H 46 8.139 8.139 8.590 -0.451 19586 1596 1 3 . 1 1 47 47 GLU N N 47 118.171 118.171 115.841 2.330 19586 1597 1 3 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.147 -0.271 19586 1598 1 3 . 1 1 47 47 GLU CA C 47 56.270 56.270 57.786 -1.516 19586 1599 1 3 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.289 -3.003 19586 1600 1 3 . 1 1 47 47 GLU H H 47 7.597 7.597 8.472 -0.875 19586 1601 1 3 . 1 1 48 48 LEU N N 48 120.228 120.228 116.928 3.300 19586 1602 1 3 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.323 -0.396 19586 1603 1 3 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.443 -2.395 19586 1604 1 3 . 1 1 48 48 LEU CB C 48 39.981 39.981 42.744 -2.763 19586 1605 1 3 . 1 1 48 48 LEU H H 48 7.848 7.848 7.400 0.448 19586 1606 1 3 . 1 1 49 49 GLN N N 49 117.910 117.910 117.608 0.302 19586 1607 1 3 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.006 -0.105 19586 1608 1 3 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.589 -2.857 19586 1609 1 3 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.456 -0.574 19586 1610 1 3 . 1 1 49 49 GLN H H 49 8.037 8.037 8.136 -0.099 19586 1611 1 3 . 1 1 50 50 ASP N N 50 119.284 119.284 118.837 0.447 19586 1612 1 3 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.523 -0.366 19586 1613 1 3 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.286 -1.580 19586 1614 1 3 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.971 -3.399 19586 1615 1 3 . 1 1 50 50 ASP H H 50 8.010 8.010 7.788 0.222 19586 1616 1 3 . 1 1 51 51 MET N N 51 119.245 119.245 117.987 1.258 19586 1617 1 3 . 1 1 51 51 MET HA H 51 3.923 3.923 4.306 -0.383 19586 1618 1 3 . 1 1 51 51 MET CA C 51 56.563 56.563 58.924 -2.361 19586 1619 1 3 . 1 1 51 51 MET CB C 51 29.478 29.478 33.713 -4.235 19586 1620 1 3 . 1 1 51 51 MET H H 51 7.614 7.614 7.671 -0.057 19586 1621 1 3 . 1 1 52 52 ILE N N 52 117.584 117.584 120.136 -2.552 19586 1622 1 3 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.645 -0.317 19586 1623 1 3 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.660 -3.770 19586 1624 1 3 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.874 -3.380 19586 1625 1 3 . 1 1 52 52 ILE H H 52 7.514 7.514 7.935 -0.421 19586 1626 1 3 . 1 1 53 53 ASN N N 53 117.126 117.126 117.467 -0.341 19586 1627 1 3 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.546 -0.324 19586 1628 1 3 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.476 -3.383 19586 1629 1 3 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.664 -3.372 19586 1630 1 3 . 1 1 53 53 ASN H H 53 8.418 8.418 7.953 0.465 19586 1631 1 3 . 1 1 54 54 GLU N N 54 116.380 116.380 115.891 0.489 19586 1632 1 3 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.245 -0.342 19586 1633 1 3 . 1 1 54 54 GLU CA C 54 56.123 56.123 57.817 -1.694 19586 1634 1 3 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.508 -4.108 19586 1635 1 3 . 1 1 54 54 GLU H H 54 7.466 7.466 8.084 -0.618 19586 1636 1 3 . 1 1 55 55 VAL N N 55 108.622 108.622 112.118 -3.496 19586 1637 1 3 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.304 0.010 19586 1638 1 3 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.459 -4.283 19586 1639 1 3 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.654 -2.491 19586 1640 1 3 . 1 1 55 55 VAL H H 55 7.044 7.044 7.531 -0.487 19586 1641 1 3 . 1 1 56 56 ASP N N 56 121.430 121.430 121.290 0.140 19586 1642 1 3 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.669 -0.279 19586 1643 1 3 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.608 -1.617 19586 1644 1 3 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.139 -1.244 19586 1645 1 3 . 1 1 56 56 ASP H H 56 7.561 7.561 8.673 -1.112 19586 1646 1 3 . 1 1 57 57 ALA N N 57 131.840 131.840 124.150 7.690 19586 1647 1 3 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.138 -0.085 19586 1648 1 3 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.718 -3.238 19586 1649 1 3 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.006 -2.213 19586 1650 1 3 . 1 1 57 57 ALA H H 57 8.357 8.357 8.097 0.260 19586 1651 1 3 . 1 1 58 58 ASP N N 58 113.565 113.565 116.778 -3.213 19586 1652 1 3 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.704 -0.214 19586 1653 1 3 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.789 -2.873 19586 1654 1 3 . 1 1 58 58 ASP CB C 58 36.774 36.774 40.964 -4.190 19586 1655 1 3 . 1 1 58 58 ASP H H 58 7.985 7.985 8.085 -0.100 19586 1656 1 3 . 1 1 59 59 GLY N N 59 108.187 108.187 108.903 -0.716 19586 1657 1 3 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.293 -1.802 19586 1658 1 3 . 1 1 59 59 GLY H H 59 7.424 7.424 7.733 -0.309 19586 1659 1 3 . 1 1 60 60 ASN N N 60 118.065 118.065 120.561 -2.496 19586 1660 1 3 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.735 -0.289 19586 1661 1 3 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.256 -3.487 19586 1662 1 3 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.524 -1.970 19586 1663 1 3 . 1 1 60 60 ASN H H 60 7.919 7.919 8.333 -0.414 19586 1664 1 3 . 1 1 61 61 GLY N N 61 113.247 113.247 108.515 4.732 19586 1665 1 3 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.728 -3.850 19586 1666 1 3 . 1 1 61 61 GLY H H 61 10.485 10.485 8.537 1.948 19586 1667 1 3 . 1 1 62 62 THR N N 62 108.699 108.699 114.404 -5.705 19586 1668 1 3 . 1 1 62 62 THR HA H 62 4.580 4.580 4.551 0.029 19586 1669 1 3 . 1 1 62 62 THR CA C 62 56.661 56.661 61.666 -5.005 19586 1670 1 3 . 1 1 62 62 THR H H 62 7.511 7.511 8.202 -0.691 19586 1671 1 3 . 1 1 63 63 ILE N N 63 122.834 122.834 120.825 2.009 19586 1672 1 3 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.422 0.632 19586 1673 1 3 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.440 -2.339 19586 1674 1 3 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.467 -4.123 19586 1675 1 3 . 1 1 63 63 ILE H H 63 8.741 8.741 8.152 0.589 19586 1676 1 3 . 1 1 64 64 ASP N N 64 127.818 127.818 119.616 8.202 19586 1677 1 3 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.457 -0.219 19586 1678 1 3 . 1 1 64 64 ASP CA C 64 49.378 49.378 51.652 -2.274 19586 1679 1 3 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.951 -7.169 19586 1680 1 3 . 1 1 64 64 ASP H H 64 8.702 8.702 8.444 0.258 19586 1681 1 3 . 1 1 65 65 PHE N N 65 118.653 118.653 119.031 -0.378 19586 1682 1 3 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.280 -0.419 19586 1683 1 3 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.272 -2.555 19586 1684 1 3 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.451 -4.325 19586 1685 1 3 . 1 1 65 65 PHE H H 65 8.847 8.847 8.787 0.060 19586 1686 1 3 . 1 1 67 67 GLU N N 67 117.631 117.631 116.882 0.749 19586 1687 1 3 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.190 -0.287 19586 1688 1 3 . 1 1 67 67 GLU CA C 67 56.337 56.337 58.527 -2.190 19586 1689 1 3 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.916 -2.871 19586 1690 1 3 . 1 1 67 67 GLU H H 67 7.940 7.940 8.841 -0.901 19586 1691 1 3 . 1 1 68 68 PHE N N 68 123.289 123.289 120.184 3.105 19586 1692 1 3 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.321 -0.481 19586 1693 1 3 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.924 -2.197 19586 1694 1 3 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.484 -1.912 19586 1695 1 3 . 1 1 68 68 PHE H H 68 8.757 8.757 7.626 1.131 19586 1696 1 3 . 1 1 69 69 LEU N N 69 118.867 118.867 118.297 0.570 19586 1697 1 3 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.038 -0.793 19586 1698 1 3 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.690 -1.532 19586 1699 1 3 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.819 -3.562 19586 1700 1 3 . 1 1 69 69 LEU H H 69 8.403 8.403 8.086 0.317 19586 1701 1 3 . 1 1 70 70 THR N N 70 116.302 116.302 113.410 2.892 19586 1702 1 3 . 1 1 70 70 THR HA H 70 3.624 3.624 4.004 -0.380 19586 1703 1 3 . 1 1 70 70 THR CA C 70 63.843 63.843 65.178 -1.335 19586 1704 1 3 . 1 1 70 70 THR CB C 70 65.502 65.502 68.582 -3.080 19586 1705 1 3 . 1 1 70 70 THR H H 70 7.540 7.540 7.749 -0.209 19586 1706 1 3 . 1 1 71 71 MET N N 71 121.710 121.710 120.929 0.781 19586 1707 1 3 . 1 1 71 71 MET HA H 71 3.903 3.903 4.206 -0.303 19586 1708 1 3 . 1 1 71 71 MET CA C 71 56.303 56.303 57.504 -1.201 19586 1709 1 3 . 1 1 71 71 MET CB C 71 29.706 29.706 31.971 -2.265 19586 1710 1 3 . 1 1 71 71 MET H H 71 7.723 7.723 7.467 0.256 19586 1711 1 3 . 1 1 72 72 MET N N 72 116.535 116.535 117.864 -1.329 19586 1712 1 3 . 1 1 72 72 MET HA H 72 3.773 3.773 4.233 -0.460 19586 1713 1 3 . 1 1 72 72 MET CA C 72 53.307 53.307 57.572 -4.265 19586 1714 1 3 . 1 1 72 72 MET CB C 72 28.787 28.787 32.434 -3.647 19586 1715 1 3 . 1 1 72 72 MET H H 72 7.982 7.982 7.737 0.245 19586 1716 1 3 . 1 1 73 73 ALA N N 73 121.584 121.584 122.848 -1.264 19586 1717 1 3 . 1 1 73 73 ALA HA H 73 3.880 3.880 3.992 -0.112 19586 1718 1 3 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.842 -2.747 19586 1719 1 3 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.154 -2.812 19586 1720 1 3 . 1 1 73 73 ALA H H 73 8.074 8.074 7.611 0.463 19586 1721 1 3 . 1 1 74 74 ARG N N 74 115.784 115.784 117.238 -1.454 19586 1722 1 3 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.109 -0.206 19586 1723 1 3 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.429 -2.698 19586 1724 1 3 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.269 -2.282 19586 1725 1 3 . 1 1 74 74 ARG H H 74 7.358 7.358 7.674 -0.316 19586 1726 1 3 . 1 1 75 75 LYS N N 75 117.245 117.245 117.673 -0.428 19586 1727 1 3 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.270 -0.321 19586 1728 1 3 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.885 -3.938 19586 1729 1 3 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.606 -6.206 19586 1730 1 3 . 1 1 75 75 LYS H H 75 7.640 7.640 7.870 -0.230 19586 1731 1 3 . 1 1 76 76 MET N N 76 117.971 117.971 120.117 -2.146 19586 1732 1 3 . 1 1 76 76 MET HA H 76 4.242 4.242 4.454 -0.212 19586 1733 1 3 . 1 1 76 76 MET CA C 76 53.947 53.947 53.105 0.842 19586 1734 1 3 . 1 1 76 76 MET CB C 76 29.478 29.478 31.026 -1.548 19586 1735 1 3 . 1 1 76 76 MET H H 76 7.794 7.794 7.981 -0.187 19586 1736 1 3 . 1 1 77 77 LYS N N 77 119.902 119.902 122.691 -2.789 19586 1737 1 3 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.365 -0.213 19586 1738 1 3 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.574 -1.291 19586 1739 1 3 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.225 -0.747 19586 1740 1 3 . 1 1 77 77 LYS H H 77 7.622 7.622 7.634 -0.012 19586 1741 1 3 . 1 1 78 78 ASP N N 78 119.146 119.146 119.803 -0.657 19586 1742 1 3 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.358 -0.115 19586 1743 1 3 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.692 -2.631 19586 1744 1 3 . 1 1 78 78 ASP H H 78 7.991 7.991 7.929 0.062 19586 1745 1 3 . 1 1 79 79 THR N N 79 112.750 112.750 113.068 -0.318 19586 1746 1 3 . 1 1 79 79 THR HA H 79 4.170 4.170 4.387 -0.217 19586 1747 1 3 . 1 1 79 79 THR CA C 79 59.030 59.030 61.912 -2.882 19586 1748 1 3 . 1 1 79 79 THR CB C 79 67.668 67.668 69.953 -2.285 19586 1749 1 3 . 1 1 79 79 THR H H 79 7.587 7.587 7.893 -0.306 19586 1750 1 3 . 1 1 80 80 ASP N N 80 122.888 122.888 121.703 1.185 19586 1751 1 3 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.706 -0.335 19586 1752 1 3 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.457 -3.607 19586 1753 1 3 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.278 -4.925 19586 1754 1 3 . 1 1 80 80 ASP H H 80 8.354 8.354 8.514 -0.160 19586 1755 1 3 . 1 1 81 81 SER N N 81 117.571 117.571 116.095 1.476 19586 1756 1 3 . 1 1 81 81 SER HA H 81 4.115 4.115 4.165 -0.050 19586 1757 1 3 . 1 1 81 81 SER CA C 81 57.717 57.717 61.975 -4.258 19586 1758 1 3 . 1 1 81 81 SER CB C 81 60.884 60.884 63.653 -2.769 19586 1759 1 3 . 1 1 81 81 SER H H 81 8.232 8.232 8.743 -0.511 19586 1760 1 3 . 1 1 82 82 GLU N N 82 121.860 121.860 121.226 0.634 19586 1761 1 3 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.146 -0.263 19586 1762 1 3 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.315 -2.608 19586 1763 1 3 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.271 0.321 19586 1764 1 3 . 1 1 82 82 GLU H H 82 8.364 8.364 8.780 -0.416 19586 1765 1 3 . 1 1 83 83 GLU N N 83 119.398 119.398 117.456 1.942 19586 1766 1 3 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.105 -0.222 19586 1767 1 3 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.472 -2.866 19586 1768 1 3 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.405 -0.041 19586 1769 1 3 . 1 1 83 83 GLU H H 83 8.032 8.032 8.858 -0.826 19586 1770 1 3 . 1 1 84 84 GLU N N 84 118.279 118.279 117.676 0.603 19586 1771 1 3 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.442 -0.571 19586 1772 1 3 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.023 -1.417 19586 1773 1 3 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.408 -3.591 19586 1774 1 3 . 1 1 84 84 GLU H H 84 8.153 8.153 7.735 0.418 19586 1775 1 3 . 1 1 85 85 ILE N N 85 120.970 120.970 120.289 0.681 19586 1776 1 3 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.950 -0.338 19586 1777 1 3 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.091 -0.652 19586 1778 1 3 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.616 -4.008 19586 1779 1 3 . 1 1 85 85 ILE H H 85 7.927 7.927 7.926 0.001 19586 1780 1 3 . 1 1 86 86 ARG N N 86 121.766 121.766 119.174 2.592 19586 1781 1 3 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.180 -0.172 19586 1782 1 3 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.442 -1.927 19586 1783 1 3 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.197 -3.341 19586 1784 1 3 . 1 1 86 86 ARG H H 86 8.233 8.233 8.359 -0.126 19586 1785 1 3 . 1 1 87 87 GLU N N 87 118.369 118.369 118.655 -0.286 19586 1786 1 3 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.249 -0.347 19586 1787 1 3 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.101 -1.495 19586 1788 1 3 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.321 -3.504 19586 1789 1 3 . 1 1 87 87 GLU H H 87 8.156 8.156 7.759 0.397 19586 1790 1 3 . 1 1 88 88 ALA N N 88 120.337 120.337 120.005 0.332 19586 1791 1 3 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.651 -0.702 19586 1792 1 3 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.576 -0.313 19586 1793 1 3 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.986 -4.906 19586 1794 1 3 . 1 1 88 88 ALA H H 88 7.877 7.877 7.680 0.197 19586 1795 1 3 . 1 1 89 89 PHE N N 89 118.191 118.191 120.926 -2.735 19586 1796 1 3 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.651 -1.536 19586 1797 1 3 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.025 -1.322 19586 1798 1 3 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.908 -3.134 19586 1799 1 3 . 1 1 89 89 PHE H H 89 8.459 8.459 7.949 0.510 19586 1800 1 3 . 1 1 90 90 ARG N N 90 115.953 115.953 118.224 -2.271 19586 1801 1 3 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.767 -0.862 19586 1802 1 3 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.444 -2.276 19586 1803 1 3 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.930 -2.276 19586 1804 1 3 . 1 1 90 90 ARG H H 90 7.764 7.764 8.036 -0.272 19586 1805 1 3 . 1 1 91 91 VAL N N 91 118.202 118.202 117.986 0.216 19586 1806 1 3 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.807 -0.522 19586 1807 1 3 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.990 -1.633 19586 1808 1 3 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.008 -3.564 19586 1809 1 3 . 1 1 91 91 VAL H H 91 7.229 7.229 7.605 -0.376 19586 1810 1 3 . 1 1 92 92 PHE N N 92 112.447 112.447 119.781 -7.334 19586 1811 1 3 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.328 -0.383 19586 1812 1 3 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.213 -0.184 19586 1813 1 3 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.655 -1.817 19586 1814 1 3 . 1 1 92 92 PHE H H 92 6.699 6.699 7.516 -0.817 19586 1815 1 3 . 1 1 93 93 ASP N N 93 116.461 116.461 118.529 -2.068 19586 1816 1 3 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.241 0.235 19586 1817 1 3 . 1 1 93 93 ASP CA C 93 49.525 49.525 54.193 -4.668 19586 1818 1 3 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.955 -5.772 19586 1819 1 3 . 1 1 93 93 ASP H H 93 7.881 7.881 8.333 -0.452 19586 1820 1 3 . 1 1 94 94 LYS N N 94 125.494 125.494 123.127 2.367 19586 1821 1 3 . 1 1 94 94 LYS HA H 94 3.668 3.668 3.954 -0.286 19586 1822 1 3 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.996 -3.020 19586 1823 1 3 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.296 -0.882 19586 1824 1 3 . 1 1 94 94 LYS H H 94 7.596 7.596 8.472 -0.876 19586 1825 1 3 . 1 1 95 95 ASP N N 95 114.015 114.015 117.042 -3.027 19586 1826 1 3 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.621 -0.206 19586 1827 1 3 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.283 -3.976 19586 1828 1 3 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.437 -5.663 19586 1829 1 3 . 1 1 95 95 ASP H H 95 8.097 8.097 8.013 0.084 19586 1830 1 3 . 1 1 96 96 GLY N N 96 109.147 109.147 109.018 0.129 19586 1831 1 3 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.286 -0.942 19586 1832 1 3 . 1 1 96 96 GLY H H 96 7.677 7.677 8.597 -0.920 19586 1833 1 3 . 1 1 97 97 ASN N N 97 119.575 119.575 120.002 -0.427 19586 1834 1 3 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.898 -0.398 19586 1835 1 3 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.593 -2.677 19586 1836 1 3 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.915 -3.732 19586 1837 1 3 . 1 1 97 97 ASN H H 97 8.252 8.252 8.085 0.167 19586 1838 1 3 . 1 1 98 98 GLY N N 98 112.465 112.465 106.613 5.852 19586 1839 1 3 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.772 -3.480 19586 1840 1 3 . 1 1 98 98 GLY H H 98 10.462 10.462 8.355 2.107 19586 1841 1 3 . 1 1 99 99 TYR N N 99 116.256 116.256 119.239 -2.983 19586 1842 1 3 . 1 1 99 99 TYR HA H 99 4.882 4.882 5.168 -0.286 19586 1843 1 3 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.955 -3.373 19586 1844 1 3 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.562 -1.581 19586 1845 1 3 . 1 1 99 99 TYR H H 99 7.557 7.557 7.763 -0.206 19586 1846 1 3 . 1 1 100 100 ILE N N 100 126.957 126.957 122.263 4.694 19586 1847 1 3 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.240 0.217 19586 1848 1 3 . 1 1 100 100 ILE CA C 100 58.616 58.616 59.992 -1.376 19586 1849 1 3 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.857 -3.425 19586 1850 1 3 . 1 1 100 100 ILE H H 100 9.972 9.972 9.200 0.772 19586 1851 1 3 . 1 1 101 101 SER N N 101 123.739 123.739 122.683 1.056 19586 1852 1 3 . 1 1 101 101 SER HA H 101 4.711 4.711 4.415 0.296 19586 1853 1 3 . 1 1 101 101 SER CA C 101 52.897 52.897 57.691 -4.794 19586 1854 1 3 . 1 1 101 101 SER CB C 101 64.134 64.134 64.689 -0.555 19586 1855 1 3 . 1 1 101 101 SER H H 101 8.844 8.844 8.389 0.456 19586 1856 1 3 . 1 1 102 102 ALA N N 102 123.028 123.028 126.636 -3.608 19586 1857 1 3 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.116 -0.405 19586 1858 1 3 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.806 -1.713 19586 1859 1 3 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.598 -3.484 19586 1860 1 3 . 1 1 102 102 ALA H H 102 9.178 9.178 8.802 0.376 19586 1861 1 3 . 1 1 103 103 ALA N N 103 118.443 118.443 118.929 -0.486 19586 1862 1 3 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.340 -0.479 19586 1863 1 3 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.666 -0.257 19586 1864 1 3 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.465 -2.009 19586 1865 1 3 . 1 1 103 103 ALA H H 103 8.132 8.132 8.280 -0.148 19586 1866 1 3 . 1 1 104 104 GLU N N 104 120.139 120.139 120.516 -0.377 19586 1867 1 3 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.087 -0.248 19586 1868 1 3 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.318 -2.755 19586 1869 1 3 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.419 -3.019 19586 1870 1 3 . 1 1 104 104 GLU H H 104 7.786 7.786 7.573 0.213 19586 1871 1 3 . 1 1 105 105 LEU N N 105 121.545 121.545 119.317 2.228 19586 1872 1 3 . 1 1 105 105 LEU HA H 105 3.902 3.902 4.033 -0.131 19586 1873 1 3 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.646 -1.914 19586 1874 1 3 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.645 -1.436 19586 1875 1 3 . 1 1 105 105 LEU H H 105 8.240 8.240 7.949 0.291 19586 1876 1 3 . 1 1 106 106 ARG N N 106 118.625 118.625 118.949 -0.324 19586 1877 1 3 . 1 1 106 106 ARG HA H 106 3.839 3.839 4.020 -0.181 19586 1878 1 3 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.710 -1.365 19586 1879 1 3 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.592 0.798 19586 1880 1 3 . 1 1 106 106 ARG H H 106 8.761 8.761 8.341 0.420 19586 1881 1 3 . 1 1 107 107 HIS N N 107 119.052 119.052 117.990 1.062 19586 1882 1 3 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.485 -0.583 19586 1883 1 3 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.407 -2.600 19586 1884 1 3 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.400 -3.202 19586 1885 1 3 . 1 1 107 107 HIS H H 107 7.946 7.946 7.304 0.642 19586 1886 1 3 . 1 1 108 108 VAL N N 108 119.160 119.160 119.975 -0.815 19586 1887 1 3 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.792 -0.350 19586 1888 1 3 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.484 -2.199 19586 1889 1 3 . 1 1 108 108 VAL CB C 108 28.908 28.908 32.303 -3.395 19586 1890 1 3 . 1 1 108 108 VAL H H 108 7.736 7.736 8.889 -1.153 19586 1891 1 3 . 1 1 109 109 MET N N 109 115.333 115.333 118.430 -3.097 19586 1892 1 3 . 1 1 109 109 MET HA H 109 4.139 4.139 4.048 0.091 19586 1893 1 3 . 1 1 109 109 MET CA C 109 54.686 54.686 59.144 -4.458 19586 1894 1 3 . 1 1 109 109 MET CB C 109 29.706 29.706 32.292 -2.586 19586 1895 1 3 . 1 1 109 109 MET H H 109 8.074 8.074 8.017 0.057 19586 1896 1 3 . 1 1 110 110 THR N N 110 116.714 116.714 114.483 2.231 19586 1897 1 3 . 1 1 110 110 THR HA H 110 3.935 3.935 4.077 -0.142 19586 1898 1 3 . 1 1 110 110 THR CA C 110 63.845 63.845 66.259 -2.414 19586 1899 1 3 . 1 1 110 110 THR CB C 110 66.072 66.072 68.558 -2.486 19586 1900 1 3 . 1 1 110 110 THR H H 110 8.515 8.515 7.880 0.635 19586 1901 1 3 . 1 1 111 111 ASN N N 111 123.784 123.784 118.931 4.853 19586 1902 1 3 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.589 -0.347 19586 1903 1 3 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.102 -2.009 19586 1904 1 3 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.523 -3.231 19586 1905 1 3 . 1 1 111 111 ASN H H 111 7.890 7.890 7.814 0.076 19586 1906 1 3 . 1 1 112 112 LEU N N 112 118.227 118.227 117.366 0.861 19586 1907 1 3 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.309 -0.194 19586 1908 1 3 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.883 -2.229 19586 1909 1 3 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.328 -1.590 19586 1910 1 3 . 1 1 112 112 LEU H H 112 7.621 7.621 7.396 0.225 19586 1911 1 3 . 1 1 113 113 GLY N N 113 106.787 106.787 105.240 1.547 19586 1912 1 3 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.937 -2.401 19586 1913 1 3 . 1 1 113 113 GLY H H 113 7.701 7.701 7.500 0.201 19586 1914 1 3 . 1 1 114 114 GLU N N 114 120.288 120.288 118.964 1.324 19586 1915 1 3 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.490 -0.248 19586 1916 1 3 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.811 -1.744 19586 1917 1 3 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.076 -3.460 19586 1918 1 3 . 1 1 114 114 GLU H H 114 7.864 7.864 7.767 0.097 19586 1919 1 3 . 1 1 115 115 LYS N N 115 124.987 124.987 125.705 -0.718 19586 1920 1 3 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.265 -0.042 19586 1921 1 3 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.289 -3.441 19586 1922 1 3 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.669 -0.712 19586 1923 1 3 . 1 1 115 115 LYS H H 115 8.491 8.491 8.383 0.108 19586 1924 1 3 . 1 1 116 116 LEU N N 116 124.912 124.912 123.518 1.394 19586 1925 1 3 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.789 -0.077 19586 1926 1 3 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.443 -2.353 19586 1927 1 3 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.223 -0.635 19586 1928 1 3 . 1 1 116 116 LEU H H 116 7.978 7.978 7.746 0.232 19586 1929 1 3 . 1 1 117 117 THR N N 117 114.220 114.220 112.519 1.701 19586 1930 1 3 . 1 1 117 117 THR HA H 117 4.302 4.302 4.463 -0.161 19586 1931 1 3 . 1 1 117 117 THR CA C 117 57.834 57.834 60.898 -3.064 19586 1932 1 3 . 1 1 117 117 THR CB C 117 68.580 68.580 70.064 -1.484 19586 1933 1 3 . 1 1 117 117 THR H H 117 9.093 9.093 7.991 1.102 19586 1934 1 3 . 1 1 118 118 ASP N N 118 120.925 120.925 121.407 -0.482 19586 1935 1 3 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.280 -0.222 19586 1936 1 3 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.085 -2.842 19586 1937 1 3 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.922 -3.920 19586 1938 1 3 . 1 1 118 118 ASP H H 118 8.764 8.764 8.674 0.090 19586 1939 1 3 . 1 1 119 119 GLU N N 119 119.395 119.395 118.254 1.141 19586 1940 1 3 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.024 -0.097 19586 1941 1 3 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.178 -2.029 19586 1942 1 3 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.971 -3.040 19586 1943 1 3 . 1 1 119 119 GLU H H 119 8.509 8.509 8.715 -0.206 19586 1944 1 3 . 1 1 120 120 GLU N N 120 119.909 119.909 118.679 1.230 19586 1945 1 3 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.167 -0.271 19586 1946 1 3 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.390 -2.071 19586 1947 1 3 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.577 -3.747 19586 1948 1 3 . 1 1 120 120 GLU H H 120 7.585 7.585 7.718 -0.133 19586 1949 1 3 . 1 1 121 121 VAL N N 121 122.092 122.092 116.580 5.512 19586 1950 1 3 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.856 -0.414 19586 1951 1 3 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.196 -1.106 19586 1952 1 3 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.148 -2.468 19586 1953 1 3 . 1 1 121 121 VAL H H 121 7.849 7.849 7.316 0.533 19586 1954 1 3 . 1 1 122 122 ASP N N 122 120.167 120.167 121.348 -1.181 19586 1955 1 3 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.287 -0.130 19586 1956 1 3 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.468 -3.567 19586 1957 1 3 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.910 -3.338 19586 1958 1 3 . 1 1 122 122 ASP H H 122 7.912 7.912 8.592 -0.680 19586 1959 1 3 . 1 1 123 123 GLU N N 123 119.087 119.087 118.106 0.981 19586 1960 1 3 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.093 -0.197 19586 1961 1 3 . 1 1 123 123 GLU CA C 123 56.612 56.612 59.026 -2.414 19586 1962 1 3 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.713 -3.541 19586 1963 1 3 . 1 1 123 123 GLU H H 123 7.839 7.839 7.702 0.137 19586 1964 1 3 . 1 1 124 124 MET N N 124 118.897 118.897 117.458 1.439 19586 1965 1 3 . 1 1 124 124 MET HA H 124 3.867 3.867 4.283 -0.416 19586 1966 1 3 . 1 1 124 124 MET CA C 124 56.905 56.905 58.877 -1.972 19586 1967 1 3 . 1 1 124 124 MET CB C 124 29.250 29.250 33.242 -3.992 19586 1968 1 3 . 1 1 124 124 MET H H 124 7.433 7.433 7.434 -0.001 19586 1969 1 3 . 1 1 125 125 ILE N N 125 118.001 118.001 114.040 3.961 19586 1970 1 3 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.268 -0.888 19586 1971 1 3 . 1 1 125 125 ILE CA C 125 60.131 60.131 62.825 -2.694 19586 1972 1 3 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.186 -4.946 19586 1973 1 3 . 1 1 125 125 ILE H H 125 7.658 7.658 8.332 -0.674 19586 1974 1 3 . 1 1 126 126 ARG N N 126 117.720 117.720 120.233 -2.513 19586 1975 1 3 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.000 -0.117 19586 1976 1 3 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.807 -3.134 19586 1977 1 3 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.119 -0.641 19586 1978 1 3 . 1 1 126 126 ARG H H 126 7.974 7.974 8.277 -0.303 19586 1979 1 3 . 1 1 127 127 GLU N N 127 117.050 117.050 116.716 0.334 19586 1980 1 3 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.188 -0.221 19586 1981 1 3 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.419 -2.100 19586 1982 1 3 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.566 -3.280 19586 1983 1 3 . 1 1 127 127 GLU H H 127 7.635 7.635 7.694 -0.058 19586 1984 1 3 . 1 1 128 128 ALA N N 128 116.966 116.966 120.628 -3.662 19586 1985 1 3 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.351 0.149 19586 1986 1 3 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.605 -4.400 19586 1987 1 3 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.070 0.035 19586 1988 1 3 . 1 1 128 128 ALA H H 128 7.155 7.155 7.389 -0.234 19586 1989 1 3 . 1 1 129 129 ASP N N 129 118.033 118.033 118.869 -0.836 19586 1990 1 3 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.889 -0.538 19586 1991 1 3 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.089 -1.267 19586 1992 1 3 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.918 -4.232 19586 1993 1 3 . 1 1 129 129 ASP H H 129 7.806 7.806 7.634 0.172 19586 1994 1 3 . 1 1 130 130 ILE N N 130 127.927 127.927 121.847 6.080 19586 1995 1 3 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.130 -0.333 19586 1996 1 3 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.767 -2.245 19586 1997 1 3 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.073 -1.983 19586 1998 1 3 . 1 1 130 130 ILE H H 130 8.115 8.115 8.559 -0.444 19586 1999 1 3 . 1 1 131 131 ASP N N 131 116.634 116.634 119.515 -2.881 19586 2000 1 3 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.746 -0.403 19586 2001 1 3 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.452 -2.265 19586 2002 1 3 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.256 -3.788 19586 2003 1 3 . 1 1 131 131 ASP H H 131 8.202 8.202 7.913 0.289 19586 2004 1 3 . 1 1 132 132 GLY N N 132 108.586 108.586 109.098 -0.512 19586 2005 1 3 . 1 1 132 132 GLY CA C 132 44.638 44.638 46.023 -1.385 19586 2006 1 3 . 1 1 132 132 GLY H H 132 7.535 7.535 7.464 0.071 19586 2007 1 3 . 1 1 133 133 ASP N N 133 120.377 120.377 120.283 0.094 19586 2008 1 3 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.592 -0.241 19586 2009 1 3 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.605 -3.663 19586 2010 1 3 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.300 -3.842 19586 2011 1 3 . 1 1 133 133 ASP H H 133 8.215 8.215 8.767 -0.552 19586 2012 1 3 . 1 1 134 134 GLY N N 134 112.226 112.226 107.183 5.043 19586 2013 1 3 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.285 -2.163 19586 2014 1 3 . 1 1 134 134 GLY H H 134 9.971 9.971 8.490 1.481 19586 2015 1 3 . 1 1 135 135 GLN N N 135 115.229 115.229 116.817 -1.588 19586 2016 1 3 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.897 -0.766 19586 2017 1 3 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.423 -3.970 19586 2018 1 3 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.097 -3.483 19586 2019 1 3 . 1 1 135 135 GLN H H 135 7.835 7.835 7.588 0.247 19586 2020 1 3 . 1 1 136 136 VAL N N 136 125.238 125.238 120.784 4.454 19586 2021 1 3 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.429 0.667 19586 2022 1 3 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.799 -2.086 19586 2023 1 3 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.102 -1.686 19586 2024 1 3 . 1 1 136 136 VAL H H 136 8.958 8.958 8.935 0.023 19586 2025 1 3 . 1 1 137 137 ASN N N 137 129.058 129.058 125.827 3.231 19586 2026 1 3 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.808 0.418 19586 2027 1 3 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.104 -3.752 19586 2028 1 3 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.865 -4.226 19586 2029 1 3 . 1 1 137 137 ASN H H 137 9.435 9.435 8.840 0.595 19586 2030 1 3 . 1 1 138 138 TYR N N 138 118.627 118.627 119.225 -0.598 19586 2031 1 3 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.354 -1.162 19586 2032 1 3 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.535 -0.866 19586 2033 1 3 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.024 -0.452 19586 2034 1 3 . 1 1 138 138 TYR H H 138 8.146 8.146 7.913 0.233 19586 2035 1 3 . 1 1 139 139 GLU N N 139 118.701 118.701 118.891 -0.190 19586 2036 1 3 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.981 -0.470 19586 2037 1 3 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.273 -1.734 19586 2038 1 3 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.646 -2.372 19586 2039 1 3 . 1 1 139 139 GLU H H 139 7.974 7.974 8.108 -0.134 19586 2040 1 3 . 1 1 140 140 GLU N N 140 119.774 119.774 119.193 0.581 19586 2041 1 3 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.112 -0.201 19586 2042 1 3 . 1 1 140 140 GLU CA C 140 56.025 56.025 59.112 -3.087 19586 2043 1 3 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.400 -3.126 19586 2044 1 3 . 1 1 140 140 GLU H H 140 8.676 8.676 8.072 0.604 19586 2045 1 3 . 1 1 141 141 PHE N N 141 124.074 124.074 119.558 4.516 19586 2046 1 3 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.118 -0.471 19586 2047 1 3 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.380 -0.933 19586 2048 1 3 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.303 -1.617 19586 2049 1 3 . 1 1 141 141 PHE H H 141 8.507 8.507 7.562 0.945 19586 2050 1 3 . 1 1 142 142 VAL N N 142 119.203 119.203 115.218 3.985 19586 2051 1 3 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.425 -0.467 19586 2052 1 3 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.491 -1.059 19586 2053 1 3 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.269 -2.361 19586 2054 1 3 . 1 1 142 142 VAL H H 142 8.639 8.639 7.328 1.311 19586 2055 1 3 . 1 1 143 143 GLN N N 143 120.173 120.173 120.065 0.108 19586 2056 1 3 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.961 -0.290 19586 2057 1 3 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.551 -2.038 19586 2058 1 3 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.321 -3.075 19586 2059 1 3 . 1 1 143 143 GLN H H 143 7.818 7.818 7.676 0.142 19586 2060 1 3 . 1 1 144 144 MET N N 144 118.573 118.573 115.695 2.878 19586 2061 1 3 . 1 1 144 144 MET HA H 144 3.882 3.882 4.334 -0.452 19586 2062 1 3 . 1 1 144 144 MET CA C 144 55.683 55.683 56.478 -0.795 19586 2063 1 3 . 1 1 144 144 MET CB C 144 28.110 28.110 32.408 -4.298 19586 2064 1 3 . 1 1 144 144 MET H H 144 7.403 7.403 7.326 0.077 19586 2065 1 3 . 1 1 145 145 MET N N 145 114.053 114.053 118.130 -4.077 19586 2066 1 3 . 1 1 145 145 MET HA H 145 3.940 3.940 4.298 -0.358 19586 2067 1 3 . 1 1 145 145 MET CA C 145 53.630 53.630 57.241 -3.611 19586 2068 1 3 . 1 1 145 145 MET CB C 145 29.592 29.592 31.978 -2.386 19586 2069 1 3 . 1 1 145 145 MET H H 145 7.534 7.534 7.493 0.041 19586 2070 1 3 . 1 1 146 146 THR N N 146 109.275 109.275 115.402 -6.127 19586 2071 1 3 . 1 1 146 146 THR HA H 146 4.175 4.175 4.140 0.035 19586 2072 1 3 . 1 1 146 146 THR CA C 146 59.251 59.251 63.857 -4.606 19586 2073 1 3 . 1 1 146 146 THR CB C 146 67.896 67.896 69.017 -1.121 19586 2074 1 3 . 1 1 146 146 THR H H 146 7.554 7.554 7.805 -0.251 19586 2075 1 3 . 1 1 147 147 ALA N N 147 126.913 126.913 122.141 4.772 19586 2076 1 3 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.525 -0.408 19586 2077 1 3 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.224 -0.917 19586 2078 1 3 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.906 -3.570 19586 2079 1 3 . 1 1 147 147 ALA H H 147 7.406 7.406 7.269 0.138 19586 2080 1 4 . 1 1 2 2 ASP N N 2 120.378 120.378 121.722 -1.344 19586 2081 1 4 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.747 -0.162 19586 2082 1 4 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.878 -2.918 19586 2083 1 4 . 1 1 2 2 ASP H H 2 8.506 8.506 8.922 -0.416 19586 2084 1 4 . 1 1 3 3 GLN N N 3 119.707 119.707 118.729 0.978 19586 2085 1 4 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.582 -0.370 19586 2086 1 4 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.528 -2.793 19586 2087 1 4 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.874 -0.800 19586 2088 1 4 . 1 1 3 3 GLN H H 3 8.208 8.208 7.960 0.248 19586 2089 1 4 . 1 1 4 4 LEU N N 4 123.069 123.069 125.349 -2.280 19586 2090 1 4 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.705 -0.565 19586 2091 1 4 . 1 1 4 4 LEU CA C 4 51.658 51.658 54.765 -3.107 19586 2092 1 4 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.805 -3.181 19586 2093 1 4 . 1 1 4 4 LEU H H 4 8.181 8.181 8.883 -0.702 19586 2094 1 4 . 1 1 5 5 THR N N 5 112.909 112.909 114.801 -1.892 19586 2095 1 4 . 1 1 5 5 THR HA H 5 4.322 4.322 4.166 0.156 19586 2096 1 4 . 1 1 5 5 THR CA C 5 57.687 57.687 65.242 -7.555 19586 2097 1 4 . 1 1 5 5 THR CB C 5 68.580 68.580 67.629 0.951 19586 2098 1 4 . 1 1 5 5 THR H H 5 8.607 8.607 8.786 -0.179 19586 2099 1 4 . 1 1 6 6 GLU N N 6 120.224 120.224 119.939 0.285 19586 2100 1 4 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.147 -0.322 19586 2101 1 4 . 1 1 6 6 GLU CA C 6 57.247 57.247 58.897 -1.650 19586 2102 1 4 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.811 -0.675 19586 2103 1 4 . 1 1 6 6 GLU H H 6 8.877 8.877 7.955 0.922 19586 2104 1 4 . 1 1 7 7 GLU N N 7 119.350 119.350 118.291 1.059 19586 2105 1 4 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.145 -0.228 19586 2106 1 4 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.389 -1.190 19586 2107 1 4 . 1 1 7 7 GLU CB C 7 26.274 26.274 28.943 -2.669 19586 2108 1 4 . 1 1 7 7 GLU H H 7 8.524 8.524 8.598 -0.074 19586 2109 1 4 . 1 1 8 8 GLN N N 8 119.917 119.917 116.750 3.167 19586 2110 1 4 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.214 -0.311 19586 2111 1 4 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.193 -2.217 19586 2112 1 4 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.109 -2.709 19586 2113 1 4 . 1 1 8 8 GLN H H 8 7.603 7.603 8.003 -0.400 19586 2114 1 4 . 1 1 9 9 ILE N N 9 119.503 119.503 117.134 2.369 19586 2115 1 4 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.355 -0.716 19586 2116 1 4 . 1 1 9 9 ILE CA C 9 63.796 63.796 62.292 1.504 19586 2117 1 4 . 1 1 9 9 ILE CB C 9 35.178 35.178 39.165 -3.987 19586 2118 1 4 . 1 1 9 9 ILE H H 9 8.260 8.260 7.521 0.739 19586 2119 1 4 . 1 1 10 10 ALA N N 10 121.044 121.044 123.422 -2.378 19586 2120 1 4 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.150 -0.189 19586 2121 1 4 . 1 1 10 10 ALA CA C 10 52.702 52.702 55.174 -2.472 19586 2122 1 4 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.021 -2.907 19586 2123 1 4 . 1 1 10 10 ALA H H 10 7.840 7.840 8.242 -0.402 19586 2124 1 4 . 1 1 11 11 GLU N N 11 119.113 119.113 118.692 0.421 19586 2125 1 4 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.177 -0.269 19586 2126 1 4 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.985 -1.422 19586 2127 1 4 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.267 -2.867 19586 2128 1 4 . 1 1 11 11 GLU H H 11 7.635 7.635 8.132 -0.497 19586 2129 1 4 . 1 1 12 12 PHE N N 12 119.574 119.574 120.374 -0.800 19586 2130 1 4 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.344 0.442 19586 2131 1 4 . 1 1 12 12 PHE CA C 12 56.954 56.954 62.113 -5.159 19586 2132 1 4 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.458 -4.394 19586 2133 1 4 . 1 1 12 12 PHE H H 12 8.441 8.441 8.010 0.431 19586 2134 1 4 . 1 1 13 13 LYS N N 13 123.454 123.454 119.853 3.601 19586 2135 1 4 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.490 -0.587 19586 2136 1 4 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.791 -1.495 19586 2137 1 4 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.157 -2.564 19586 2138 1 4 . 1 1 13 13 LYS H H 13 9.103 9.103 7.824 1.279 19586 2139 1 4 . 1 1 14 14 GLU N N 14 119.525 119.525 117.842 1.683 19586 2140 1 4 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.426 -0.515 19586 2141 1 4 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.944 -1.479 19586 2142 1 4 . 1 1 14 14 GLU CB C 14 26.502 26.502 29.849 -3.347 19586 2143 1 4 . 1 1 14 14 GLU H H 14 7.667 7.667 8.051 -0.384 19586 2144 1 4 . 1 1 15 15 ALA N N 15 121.983 121.983 123.218 -1.235 19586 2145 1 4 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.253 -0.292 19586 2146 1 4 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.973 -2.222 19586 2147 1 4 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.806 -3.578 19586 2148 1 4 . 1 1 15 15 ALA H H 15 7.816 7.816 8.103 -0.287 19586 2149 1 4 . 1 1 16 16 PHE N N 16 118.874 118.874 119.364 -0.490 19586 2150 1 4 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.148 -1.053 19586 2151 1 4 . 1 1 16 16 PHE CA C 16 59.544 59.544 61.011 -1.467 19586 2152 1 4 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.196 -2.422 19586 2153 1 4 . 1 1 16 16 PHE H H 16 8.764 8.764 8.752 0.012 19586 2154 1 4 . 1 1 17 17 SER N N 17 111.578 111.578 114.621 -3.043 19586 2155 1 4 . 1 1 17 17 SER HA H 17 3.979 3.979 4.278 -0.299 19586 2156 1 4 . 1 1 17 17 SER CA C 17 58.567 58.567 60.934 -2.367 19586 2157 1 4 . 1 1 17 17 SER CB C 17 60.600 60.600 62.767 -2.167 19586 2158 1 4 . 1 1 17 17 SER H H 17 7.825 7.825 8.590 -0.765 19586 2159 1 4 . 1 1 18 18 LEU N N 18 121.167 121.167 120.554 0.613 19586 2160 1 4 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.006 -0.059 19586 2161 1 4 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.360 -2.752 19586 2162 1 4 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.017 -2.379 19586 2163 1 4 . 1 1 18 18 LEU H H 18 7.240 7.240 7.367 -0.127 19586 2164 1 4 . 1 1 19 19 PHE N N 19 114.405 114.405 115.968 -1.563 19586 2165 1 4 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.397 -0.486 19586 2166 1 4 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.470 -2.223 19586 2167 1 4 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.761 -5.951 19586 2168 1 4 . 1 1 19 19 PHE H H 19 7.090 7.090 7.484 -0.394 19586 2169 1 4 . 1 1 20 20 ASP N N 20 115.823 115.823 119.942 -4.119 19586 2170 1 4 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.657 -0.181 19586 2171 1 4 . 1 1 20 20 ASP CA C 20 49.476 49.476 53.872 -4.396 19586 2172 1 4 . 1 1 20 20 ASP CB C 20 36.782 36.782 38.516 -1.734 19586 2173 1 4 . 1 1 20 20 ASP H H 20 7.662 7.662 8.152 -0.490 19586 2174 1 4 . 1 1 21 21 LYS N N 21 124.906 124.906 120.241 4.665 19586 2175 1 4 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.171 -0.386 19586 2176 1 4 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.593 -1.568 19586 2177 1 4 . 1 1 21 21 LYS CB C 21 29.700 29.700 31.421 -1.721 19586 2178 1 4 . 1 1 21 21 LYS H H 21 7.539 7.539 7.870 -0.331 19586 2179 1 4 . 1 1 22 22 ASP N N 22 113.550 113.550 118.917 -5.367 19586 2180 1 4 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.667 -0.236 19586 2181 1 4 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.800 -4.835 19586 2182 1 4 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.145 -4.371 19586 2183 1 4 . 1 1 22 22 ASP H H 22 7.965 7.965 7.976 -0.011 19586 2184 1 4 . 1 1 23 23 GLY N N 23 109.354 109.354 107.479 1.875 19586 2185 1 4 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.386 -1.944 19586 2186 1 4 . 1 1 23 23 GLY H H 23 7.606 7.606 7.973 -0.367 19586 2187 1 4 . 1 1 24 24 ASP N N 24 120.643 120.643 120.062 0.581 19586 2188 1 4 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.751 -0.396 19586 2189 1 4 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.221 -3.181 19586 2190 1 4 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.369 -3.683 19586 2191 1 4 . 1 1 24 24 ASP H H 24 8.266 8.266 8.407 -0.141 19586 2192 1 4 . 1 1 25 25 GLY N N 25 113.205 113.205 107.808 5.397 19586 2193 1 4 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.306 -2.623 19586 2194 1 4 . 1 1 25 25 GLY H H 25 10.545 10.545 8.566 1.979 19586 2195 1 4 . 1 1 26 26 THR N N 26 112.852 112.852 109.728 3.124 19586 2196 1 4 . 1 1 26 26 THR HA H 26 5.170 5.170 5.261 -0.091 19586 2197 1 4 . 1 1 26 26 THR CA C 26 56.954 56.954 59.938 -2.984 19586 2198 1 4 . 1 1 26 26 THR CB C 26 69.948 69.948 71.939 -1.990 19586 2199 1 4 . 1 1 26 26 THR H H 26 8.020 8.020 7.603 0.417 19586 2200 1 4 . 1 1 27 27 ILE N N 27 127.005 127.005 119.885 7.120 19586 2201 1 4 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.343 -0.516 19586 2202 1 4 . 1 1 27 27 ILE CA C 27 57.931 57.931 60.127 -2.196 19586 2203 1 4 . 1 1 27 27 ILE CB C 27 37.230 37.230 38.460 -1.230 19586 2204 1 4 . 1 1 27 27 ILE H H 27 9.689 9.689 8.089 1.600 19586 2205 1 4 . 1 1 28 28 THR N N 28 116.439 116.439 120.905 -4.466 19586 2206 1 4 . 1 1 28 28 THR HA H 28 4.642 4.642 4.328 0.314 19586 2207 1 4 . 1 1 28 28 THR CA C 28 56.612 56.612 62.396 -5.784 19586 2208 1 4 . 1 1 28 28 THR CB C 28 69.606 69.606 69.396 0.210 19586 2209 1 4 . 1 1 28 28 THR H H 28 8.275 8.275 8.645 -0.370 19586 2210 1 4 . 1 1 29 29 THR N N 29 113.287 113.287 116.958 -3.671 19586 2211 1 4 . 1 1 29 29 THR HA H 29 3.635 3.635 4.243 -0.608 19586 2212 1 4 . 1 1 29 29 THR CA C 29 63.845 63.845 62.946 0.899 19586 2213 1 4 . 1 1 29 29 THR CB C 29 65.616 65.616 68.804 -3.188 19586 2214 1 4 . 1 1 29 29 THR H H 29 9.054 9.054 8.564 0.490 19586 2215 1 4 . 1 1 30 30 LYS N N 30 121.230 121.230 120.413 0.817 19586 2216 1 4 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.272 -0.369 19586 2217 1 4 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.260 -1.795 19586 2218 1 4 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.652 -2.952 19586 2219 1 4 . 1 1 30 30 LYS H H 30 7.578 7.578 7.821 -0.243 19586 2220 1 4 . 1 1 31 31 GLU N N 31 122.002 122.002 118.309 3.693 19586 2221 1 4 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.287 -0.424 19586 2222 1 4 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.691 -0.543 19586 2223 1 4 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.447 -2.389 19586 2224 1 4 . 1 1 31 31 GLU H H 31 7.712 7.712 8.611 -0.899 19586 2225 1 4 . 1 1 32 32 LEU N N 32 119.130 119.130 117.249 1.881 19586 2226 1 4 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.095 -0.170 19586 2227 1 4 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.674 -1.145 19586 2228 1 4 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.147 -0.166 19586 2229 1 4 . 1 1 32 32 LEU H H 32 8.509 8.509 7.588 0.921 19586 2230 1 4 . 1 1 33 33 GLY N N 33 103.747 103.747 103.788 -0.041 19586 2231 1 4 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.715 -0.051 19586 2232 1 4 . 1 1 33 33 GLY H H 33 8.388 8.388 8.208 0.180 19586 2233 1 4 . 1 1 34 34 THR N N 34 117.487 117.487 116.627 0.860 19586 2234 1 4 . 1 1 34 34 THR HA H 34 3.795 3.795 4.250 -0.455 19586 2235 1 4 . 1 1 34 34 THR CA C 34 64.285 64.285 64.654 -0.369 19586 2236 1 4 . 1 1 34 34 THR CB C 34 66.186 66.186 68.751 -2.565 19586 2237 1 4 . 1 1 34 34 THR H H 34 7.935 7.935 7.661 0.274 19586 2238 1 4 . 1 1 35 35 VAL N N 35 120.287 120.287 119.690 0.597 19586 2239 1 4 . 1 1 35 35 VAL H H 35 7.089 7.089 7.307 -0.218 19586 2240 1 4 . 1 1 36 36 MET N N 36 117.816 117.816 118.414 -0.598 19586 2241 1 4 . 1 1 36 36 MET HA H 36 3.911 3.911 4.233 -0.322 19586 2242 1 4 . 1 1 36 36 MET CA C 36 57.101 57.101 58.692 -1.591 19586 2243 1 4 . 1 1 36 36 MET CB C 36 29.929 29.929 32.667 -2.738 19586 2244 1 4 . 1 1 36 36 MET H H 36 8.318 8.318 7.952 0.366 19586 2245 1 4 . 1 1 37 37 ARG N N 37 117.706 117.706 119.502 -1.796 19586 2246 1 4 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.101 0.597 19586 2247 1 4 . 1 1 37 37 ARG CA C 37 56.172 56.172 59.172 -3.000 19586 2248 1 4 . 1 1 37 37 ARG CB C 37 27.084 27.084 30.086 -3.002 19586 2249 1 4 . 1 1 37 37 ARG H H 37 8.233 8.233 7.915 0.318 19586 2250 1 4 . 1 1 38 38 SER N N 38 118.974 118.974 114.831 4.143 19586 2251 1 4 . 1 1 38 38 SER HA H 38 4.187 4.187 4.385 -0.198 19586 2252 1 4 . 1 1 38 38 SER CA C 38 59.251 59.251 60.975 -1.724 19586 2253 1 4 . 1 1 38 38 SER CB C 38 67.782 67.782 63.102 4.680 19586 2254 1 4 . 1 1 38 38 SER H H 38 7.874 7.874 7.787 0.087 19586 2255 1 4 . 1 1 39 39 LEU N N 39 118.835 118.835 121.655 -2.820 19586 2256 1 4 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.392 -0.253 19586 2257 1 4 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.069 -3.736 19586 2258 1 4 . 1 1 39 39 LEU CB C 39 39.638 39.638 41.730 -2.092 19586 2259 1 4 . 1 1 39 39 LEU H H 39 7.248 7.248 7.789 -0.541 19586 2260 1 4 . 1 1 40 40 GLY N N 40 104.990 104.990 107.068 -2.078 19586 2261 1 4 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.529 -2.651 19586 2262 1 4 . 1 1 40 40 GLY H H 40 7.471 7.471 7.546 -0.075 19586 2263 1 4 . 1 1 41 41 GLN N N 41 118.032 118.032 118.647 -0.615 19586 2264 1 4 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.591 -0.222 19586 2265 1 4 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.218 -3.031 19586 2266 1 4 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.270 -0.652 19586 2267 1 4 . 1 1 41 41 GLN H H 41 7.860 7.860 7.872 -0.012 19586 2268 1 4 . 1 1 42 42 ASN N N 42 115.671 115.671 116.151 -0.480 19586 2269 1 4 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.080 0.014 19586 2270 1 4 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.367 -1.673 19586 2271 1 4 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.095 -3.541 19586 2272 1 4 . 1 1 42 42 ASN H H 42 8.561 8.561 8.357 0.204 19586 2273 1 4 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.627 0.084 19586 2274 1 4 . 1 1 44 44 THR N N 44 113.509 113.509 117.968 -4.459 19586 2275 1 4 . 1 1 44 44 THR HA H 44 4.321 4.321 4.508 -0.187 19586 2276 1 4 . 1 1 44 44 THR CA C 44 57.638 57.638 60.560 -2.922 19586 2277 1 4 . 1 1 44 44 THR CB C 44 68.466 68.466 69.122 -0.656 19586 2278 1 4 . 1 1 44 44 THR H H 44 8.882 8.882 8.335 0.547 19586 2279 1 4 . 1 1 45 45 GLU N N 45 120.506 120.506 127.313 -6.807 19586 2280 1 4 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.890 -0.010 19586 2281 1 4 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.869 -2.768 19586 2282 1 4 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.388 -3.114 19586 2283 1 4 . 1 1 45 45 GLU H H 45 8.662 8.662 8.704 -0.042 19586 2284 1 4 . 1 1 46 46 ALA N N 46 120.586 120.586 119.302 1.284 19586 2285 1 4 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.134 -0.209 19586 2286 1 4 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.318 -2.007 19586 2287 1 4 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.312 -3.232 19586 2288 1 4 . 1 1 46 46 ALA H H 46 8.139 8.139 8.465 -0.326 19586 2289 1 4 . 1 1 47 47 GLU N N 47 118.171 118.171 118.899 -0.728 19586 2290 1 4 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.080 -0.204 19586 2291 1 4 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.850 -2.580 19586 2292 1 4 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.982 -3.696 19586 2293 1 4 . 1 1 47 47 GLU H H 47 7.597 7.597 7.424 0.173 19586 2294 1 4 . 1 1 48 48 LEU N N 48 120.228 120.228 115.991 4.237 19586 2295 1 4 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.095 -0.168 19586 2296 1 4 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.901 -2.853 19586 2297 1 4 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.254 -0.273 19586 2298 1 4 . 1 1 48 48 LEU H H 48 7.848 7.848 7.504 0.344 19586 2299 1 4 . 1 1 49 49 GLN N N 49 117.910 117.910 118.866 -0.956 19586 2300 1 4 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.076 -0.175 19586 2301 1 4 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.947 -3.215 19586 2302 1 4 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.383 -0.501 19586 2303 1 4 . 1 1 49 49 GLN H H 49 8.037 8.037 7.852 0.185 19586 2304 1 4 . 1 1 50 50 ASP N N 50 119.284 119.284 117.957 1.327 19586 2305 1 4 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.544 -0.387 19586 2306 1 4 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.065 -1.359 19586 2307 1 4 . 1 1 50 50 ASP CB C 50 37.572 37.572 41.114 -3.542 19586 2308 1 4 . 1 1 50 50 ASP H H 50 8.010 8.010 7.795 0.215 19586 2309 1 4 . 1 1 51 51 MET N N 51 119.245 119.245 117.403 1.842 19586 2310 1 4 . 1 1 51 51 MET HA H 51 3.923 3.923 4.383 -0.460 19586 2311 1 4 . 1 1 51 51 MET CA C 51 56.563 56.563 58.404 -1.841 19586 2312 1 4 . 1 1 51 51 MET CB C 51 29.478 29.478 34.382 -4.904 19586 2313 1 4 . 1 1 51 51 MET H H 51 7.614 7.614 7.365 0.249 19586 2314 1 4 . 1 1 52 52 ILE N N 52 117.584 117.584 119.493 -1.909 19586 2315 1 4 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.803 -0.475 19586 2316 1 4 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.826 -2.936 19586 2317 1 4 . 1 1 52 52 ILE CB C 52 34.494 34.494 38.023 -3.529 19586 2318 1 4 . 1 1 52 52 ILE H H 52 7.514 7.514 8.972 -1.458 19586 2319 1 4 . 1 1 53 53 ASN N N 53 117.126 117.126 116.889 0.237 19586 2320 1 4 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.665 -0.443 19586 2321 1 4 . 1 1 53 53 ASN CA C 53 53.093 53.093 55.491 -2.398 19586 2322 1 4 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.861 -3.569 19586 2323 1 4 . 1 1 53 53 ASN H H 53 8.418 8.418 7.627 0.791 19586 2324 1 4 . 1 1 54 54 GLU N N 54 116.380 116.380 116.532 -0.152 19586 2325 1 4 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.224 -0.321 19586 2326 1 4 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.119 -1.996 19586 2327 1 4 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.554 -4.154 19586 2328 1 4 . 1 1 54 54 GLU H H 54 7.466 7.466 8.244 -0.778 19586 2329 1 4 . 1 1 55 55 VAL N N 55 108.622 108.622 112.060 -3.438 19586 2330 1 4 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.280 0.034 19586 2331 1 4 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.104 -3.928 19586 2332 1 4 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.077 -1.915 19586 2333 1 4 . 1 1 55 55 VAL H H 55 7.044 7.044 7.569 -0.525 19586 2334 1 4 . 1 1 56 56 ASP N N 56 121.430 121.430 120.210 1.220 19586 2335 1 4 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.671 -0.281 19586 2336 1 4 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.303 -1.312 19586 2337 1 4 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.240 -1.344 19586 2338 1 4 . 1 1 56 56 ASP H H 56 7.561 7.561 8.003 -0.442 19586 2339 1 4 . 1 1 57 57 ALA N N 57 131.840 131.840 124.648 7.192 19586 2340 1 4 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.140 -0.087 19586 2341 1 4 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.679 -3.199 19586 2342 1 4 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.034 -2.241 19586 2343 1 4 . 1 1 57 57 ALA H H 57 8.357 8.357 7.907 0.450 19586 2344 1 4 . 1 1 58 58 ASP N N 58 113.565 113.565 116.768 -3.203 19586 2345 1 4 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.722 -0.232 19586 2346 1 4 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.779 -2.863 19586 2347 1 4 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.103 -4.329 19586 2348 1 4 . 1 1 58 58 ASP H H 58 7.985 7.985 8.187 -0.202 19586 2349 1 4 . 1 1 59 59 GLY N N 59 108.187 108.187 108.669 -0.482 19586 2350 1 4 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.327 -1.836 19586 2351 1 4 . 1 1 59 59 GLY H H 59 7.424 7.424 7.747 -0.323 19586 2352 1 4 . 1 1 60 60 ASN N N 60 118.065 118.065 120.827 -2.762 19586 2353 1 4 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.756 -0.310 19586 2354 1 4 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.278 -3.509 19586 2355 1 4 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.936 -2.382 19586 2356 1 4 . 1 1 60 60 ASN H H 60 7.919 7.919 8.454 -0.535 19586 2357 1 4 . 1 1 61 61 GLY N N 61 113.247 113.247 106.301 6.946 19586 2358 1 4 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.338 -3.460 19586 2359 1 4 . 1 1 61 61 GLY H H 61 10.485 10.485 8.616 1.869 19586 2360 1 4 . 1 1 62 62 THR N N 62 108.699 108.699 110.875 -2.176 19586 2361 1 4 . 1 1 62 62 THR HA H 62 4.580 4.580 4.447 0.133 19586 2362 1 4 . 1 1 62 62 THR CA C 62 56.661 56.661 60.130 -3.469 19586 2363 1 4 . 1 1 62 62 THR H H 62 7.511 7.511 7.067 0.444 19586 2364 1 4 . 1 1 63 63 ILE N N 63 122.834 122.834 119.801 3.033 19586 2365 1 4 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.480 0.574 19586 2366 1 4 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.445 -2.344 19586 2367 1 4 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.787 -4.443 19586 2368 1 4 . 1 1 63 63 ILE H H 63 8.741 8.741 8.159 0.582 19586 2369 1 4 . 1 1 64 64 ASP N N 64 127.818 127.818 121.134 6.684 19586 2370 1 4 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.199 0.039 19586 2371 1 4 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.363 -2.985 19586 2372 1 4 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.804 -7.022 19586 2373 1 4 . 1 1 64 64 ASP H H 64 8.702 8.702 8.268 0.434 19586 2374 1 4 . 1 1 65 65 PHE N N 65 118.653 118.653 119.550 -0.897 19586 2375 1 4 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.005 -0.144 19586 2376 1 4 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.335 -2.618 19586 2377 1 4 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.353 -4.227 19586 2378 1 4 . 1 1 65 65 PHE H H 65 8.847 8.847 8.871 -0.024 19586 2379 1 4 . 1 1 67 67 GLU N N 67 117.631 117.631 117.636 -0.005 19586 2380 1 4 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.083 -0.180 19586 2381 1 4 . 1 1 67 67 GLU CA C 67 56.337 56.337 59.200 -2.863 19586 2382 1 4 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.923 -2.878 19586 2383 1 4 . 1 1 67 67 GLU H H 67 7.940 7.940 8.838 -0.898 19586 2384 1 4 . 1 1 68 68 PHE N N 68 123.289 123.289 119.273 4.016 19586 2385 1 4 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.337 -0.497 19586 2386 1 4 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.740 -2.013 19586 2387 1 4 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.405 -1.833 19586 2388 1 4 . 1 1 68 68 PHE H H 68 8.757 8.757 7.622 1.135 19586 2389 1 4 . 1 1 69 69 LEU N N 69 118.867 118.867 117.827 1.040 19586 2390 1 4 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.089 -0.844 19586 2391 1 4 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.710 -2.552 19586 2392 1 4 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.463 -3.207 19586 2393 1 4 . 1 1 69 69 LEU H H 69 8.403 8.403 7.677 0.726 19586 2394 1 4 . 1 1 70 70 THR N N 70 116.302 116.302 110.468 5.834 19586 2395 1 4 . 1 1 70 70 THR HA H 70 3.624 3.624 3.971 -0.347 19586 2396 1 4 . 1 1 70 70 THR CA C 70 63.843 63.843 65.235 -1.392 19586 2397 1 4 . 1 1 70 70 THR CB C 70 65.502 65.502 68.724 -3.222 19586 2398 1 4 . 1 1 70 70 THR H H 70 7.540 7.540 7.330 0.210 19586 2399 1 4 . 1 1 71 71 MET N N 71 121.710 121.710 121.281 0.429 19586 2400 1 4 . 1 1 71 71 MET HA H 71 3.903 3.903 4.229 -0.326 19586 2401 1 4 . 1 1 71 71 MET CA C 71 56.303 56.303 57.694 -1.391 19586 2402 1 4 . 1 1 71 71 MET CB C 71 29.706 29.706 31.776 -2.070 19586 2403 1 4 . 1 1 71 71 MET H H 71 7.723 7.723 7.423 0.300 19586 2404 1 4 . 1 1 72 72 MET N N 72 116.535 116.535 118.126 -1.591 19586 2405 1 4 . 1 1 72 72 MET HA H 72 3.773 3.773 4.269 -0.496 19586 2406 1 4 . 1 1 72 72 MET CA C 72 53.307 53.307 56.719 -3.412 19586 2407 1 4 . 1 1 72 72 MET CB C 72 28.787 28.787 31.943 -3.156 19586 2408 1 4 . 1 1 72 72 MET H H 72 7.982 7.982 7.382 0.600 19586 2409 1 4 . 1 1 73 73 ALA N N 73 121.584 121.584 122.850 -1.266 19586 2410 1 4 . 1 1 73 73 ALA HA H 73 3.880 3.880 3.999 -0.119 19586 2411 1 4 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.635 -2.540 19586 2412 1 4 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.069 -2.727 19586 2413 1 4 . 1 1 73 73 ALA H H 73 8.074 8.074 7.606 0.468 19586 2414 1 4 . 1 1 74 74 ARG N N 74 115.784 115.784 116.611 -0.827 19586 2415 1 4 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.144 -0.241 19586 2416 1 4 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.131 -2.400 19586 2417 1 4 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.392 -2.405 19586 2418 1 4 . 1 1 74 74 ARG H H 74 7.358 7.358 7.642 -0.284 19586 2419 1 4 . 1 1 75 75 LYS N N 75 117.245 117.245 118.112 -0.867 19586 2420 1 4 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.262 -0.313 19586 2421 1 4 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.577 -3.630 19586 2422 1 4 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.204 -5.804 19586 2423 1 4 . 1 1 75 75 LYS H H 75 7.640 7.640 7.651 -0.011 19586 2424 1 4 . 1 1 76 76 MET N N 76 117.971 117.971 119.319 -1.348 19586 2425 1 4 . 1 1 76 76 MET HA H 76 4.242 4.242 4.410 -0.168 19586 2426 1 4 . 1 1 76 76 MET CA C 76 53.947 53.947 54.951 -1.004 19586 2427 1 4 . 1 1 76 76 MET CB C 76 29.478 29.478 31.668 -2.190 19586 2428 1 4 . 1 1 76 76 MET H H 76 7.794 7.794 7.806 -0.012 19586 2429 1 4 . 1 1 77 77 LYS N N 77 119.902 119.902 121.803 -1.901 19586 2430 1 4 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.370 -0.218 19586 2431 1 4 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.058 -1.775 19586 2432 1 4 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.940 -1.462 19586 2433 1 4 . 1 1 77 77 LYS H H 77 7.622 7.622 7.525 0.097 19586 2434 1 4 . 1 1 78 78 ASP N N 78 119.146 119.146 123.113 -3.967 19586 2435 1 4 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.375 -0.132 19586 2436 1 4 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.972 -2.911 19586 2437 1 4 . 1 1 78 78 ASP H H 78 7.991 7.991 8.433 -0.442 19586 2438 1 4 . 1 1 79 79 THR N N 79 112.750 112.750 113.782 -1.032 19586 2439 1 4 . 1 1 79 79 THR HA H 79 4.170 4.170 4.434 -0.264 19586 2440 1 4 . 1 1 79 79 THR CA C 79 59.030 59.030 62.022 -2.992 19586 2441 1 4 . 1 1 79 79 THR CB C 79 67.668 67.668 69.605 -1.937 19586 2442 1 4 . 1 1 79 79 THR H H 79 7.587 7.587 8.048 -0.461 19586 2443 1 4 . 1 1 80 80 ASP N N 80 122.888 122.888 126.284 -3.396 19586 2444 1 4 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.844 -0.473 19586 2445 1 4 . 1 1 80 80 ASP CA C 80 50.850 50.850 53.805 -2.955 19586 2446 1 4 . 1 1 80 80 ASP CB C 80 37.353 37.353 43.263 -5.910 19586 2447 1 4 . 1 1 80 80 ASP H H 80 8.354 8.354 8.615 -0.261 19586 2448 1 4 . 1 1 81 81 SER N N 81 117.571 117.571 115.806 1.765 19586 2449 1 4 . 1 1 81 81 SER HA H 81 4.115 4.115 4.486 -0.371 19586 2450 1 4 . 1 1 81 81 SER CA C 81 57.717 57.717 59.334 -1.617 19586 2451 1 4 . 1 1 81 81 SER CB C 81 60.884 60.884 64.213 -3.329 19586 2452 1 4 . 1 1 81 81 SER H H 81 8.232 8.232 8.733 -0.501 19586 2453 1 4 . 1 1 82 82 GLU N N 82 121.860 121.860 122.246 -0.386 19586 2454 1 4 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.085 -0.202 19586 2455 1 4 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.529 -2.822 19586 2456 1 4 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.358 0.234 19586 2457 1 4 . 1 1 82 82 GLU H H 82 8.364 8.364 8.790 -0.426 19586 2458 1 4 . 1 1 83 83 GLU N N 83 119.398 119.398 117.899 1.499 19586 2459 1 4 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.101 -0.218 19586 2460 1 4 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.354 -2.748 19586 2461 1 4 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.291 0.073 19586 2462 1 4 . 1 1 83 83 GLU H H 83 8.032 8.032 8.787 -0.755 19586 2463 1 4 . 1 1 84 84 GLU N N 84 118.279 118.279 118.296 -0.017 19586 2464 1 4 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.415 -0.544 19586 2465 1 4 . 1 1 84 84 GLU CA C 84 56.606 56.606 57.956 -1.350 19586 2466 1 4 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.489 -3.672 19586 2467 1 4 . 1 1 84 84 GLU H H 84 8.153 8.153 7.663 0.490 19586 2468 1 4 . 1 1 85 85 ILE N N 85 120.970 120.970 120.463 0.507 19586 2469 1 4 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.978 -0.366 19586 2470 1 4 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.187 -0.748 19586 2471 1 4 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.532 -3.924 19586 2472 1 4 . 1 1 85 85 ILE H H 85 7.927 7.927 7.850 0.077 19586 2473 1 4 . 1 1 86 86 ARG N N 86 121.766 121.766 119.406 2.360 19586 2474 1 4 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.266 -0.258 19586 2475 1 4 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.323 -1.808 19586 2476 1 4 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.509 -2.653 19586 2477 1 4 . 1 1 86 86 ARG H H 86 8.233 8.233 8.716 -0.483 19586 2478 1 4 . 1 1 87 87 GLU N N 87 118.369 118.369 120.161 -1.792 19586 2479 1 4 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.255 -0.353 19586 2480 1 4 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.078 -1.472 19586 2481 1 4 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.162 -3.345 19586 2482 1 4 . 1 1 87 87 GLU H H 87 8.156 8.156 7.922 0.234 19586 2483 1 4 . 1 1 88 88 ALA N N 88 120.337 120.337 120.509 -0.172 19586 2484 1 4 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.663 -0.714 19586 2485 1 4 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.934 -0.671 19586 2486 1 4 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.107 -5.027 19586 2487 1 4 . 1 1 88 88 ALA H H 88 7.877 7.877 7.719 0.158 19586 2488 1 4 . 1 1 89 89 PHE N N 89 118.191 118.191 121.465 -3.274 19586 2489 1 4 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.337 -1.222 19586 2490 1 4 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.551 -1.848 19586 2491 1 4 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.835 -3.061 19586 2492 1 4 . 1 1 89 89 PHE H H 89 8.459 8.459 8.883 -0.424 19586 2493 1 4 . 1 1 90 90 ARG N N 90 115.953 115.953 118.050 -2.097 19586 2494 1 4 . 1 1 90 90 ARG HA H 90 3.905 3.905 3.976 -0.071 19586 2495 1 4 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.142 -1.974 19586 2496 1 4 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.829 -2.175 19586 2497 1 4 . 1 1 90 90 ARG H H 90 7.764 7.764 7.787 -0.023 19586 2498 1 4 . 1 1 91 91 VAL N N 91 118.202 118.202 117.356 0.846 19586 2499 1 4 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.884 -0.599 19586 2500 1 4 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.887 -1.530 19586 2501 1 4 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.068 -3.624 19586 2502 1 4 . 1 1 91 91 VAL H H 91 7.229 7.229 7.306 -0.077 19586 2503 1 4 . 1 1 92 92 PHE N N 92 112.447 112.447 118.580 -6.133 19586 2504 1 4 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.297 -0.352 19586 2505 1 4 . 1 1 92 92 PHE CA C 92 58.029 58.029 56.813 1.216 19586 2506 1 4 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.201 -1.363 19586 2507 1 4 . 1 1 92 92 PHE H H 92 6.699 6.699 7.388 -0.689 19586 2508 1 4 . 1 1 93 93 ASP N N 93 116.461 116.461 120.353 -3.892 19586 2509 1 4 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.426 0.050 19586 2510 1 4 . 1 1 93 93 ASP CA C 93 49.525 49.525 52.745 -3.220 19586 2511 1 4 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.404 -5.221 19586 2512 1 4 . 1 1 93 93 ASP H H 93 7.881 7.881 7.954 -0.073 19586 2513 1 4 . 1 1 94 94 LYS N N 94 125.494 125.494 124.424 1.070 19586 2514 1 4 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.006 -0.338 19586 2515 1 4 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.802 -2.826 19586 2516 1 4 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.234 -0.820 19586 2517 1 4 . 1 1 94 94 LYS H H 94 7.596 7.596 8.399 -0.803 19586 2518 1 4 . 1 1 95 95 ASP N N 95 114.015 114.015 116.503 -2.488 19586 2519 1 4 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.637 -0.222 19586 2520 1 4 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.202 -3.895 19586 2521 1 4 . 1 1 95 95 ASP CB C 95 36.774 36.774 44.058 -7.284 19586 2522 1 4 . 1 1 95 95 ASP H H 95 8.097 8.097 7.550 0.547 19586 2523 1 4 . 1 1 96 96 GLY N N 96 109.147 109.147 109.376 -0.229 19586 2524 1 4 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.252 -0.908 19586 2525 1 4 . 1 1 96 96 GLY H H 96 7.677 7.677 8.455 -0.778 19586 2526 1 4 . 1 1 97 97 ASN N N 97 119.575 119.575 120.530 -0.955 19586 2527 1 4 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.874 -0.374 19586 2528 1 4 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.613 -2.697 19586 2529 1 4 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.196 -4.013 19586 2530 1 4 . 1 1 97 97 ASN H H 97 8.252 8.252 7.919 0.333 19586 2531 1 4 . 1 1 98 98 GLY N N 98 112.465 112.465 107.755 4.710 19586 2532 1 4 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.936 -3.644 19586 2533 1 4 . 1 1 98 98 GLY H H 98 10.462 10.462 8.378 2.084 19586 2534 1 4 . 1 1 99 99 TYR N N 99 116.256 116.256 120.191 -3.935 19586 2535 1 4 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.982 -0.100 19586 2536 1 4 . 1 1 99 99 TYR CA C 99 53.582 53.582 57.151 -3.569 19586 2537 1 4 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.431 -1.450 19586 2538 1 4 . 1 1 99 99 TYR H H 99 7.557 7.557 7.219 0.338 19586 2539 1 4 . 1 1 100 100 ILE N N 100 126.957 126.957 120.824 6.133 19586 2540 1 4 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.340 0.117 19586 2541 1 4 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.165 -1.549 19586 2542 1 4 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.103 -2.671 19586 2543 1 4 . 1 1 100 100 ILE H H 100 9.972 9.972 8.861 1.111 19586 2544 1 4 . 1 1 101 101 SER N N 101 123.739 123.739 121.393 2.346 19586 2545 1 4 . 1 1 101 101 SER HA H 101 4.711 4.711 4.356 0.355 19586 2546 1 4 . 1 1 101 101 SER CA C 101 52.897 52.897 58.273 -5.376 19586 2547 1 4 . 1 1 101 101 SER CB C 101 64.134 64.134 64.155 -0.021 19586 2548 1 4 . 1 1 101 101 SER H H 101 8.844 8.844 8.670 0.174 19586 2549 1 4 . 1 1 102 102 ALA N N 102 123.028 123.028 127.957 -4.929 19586 2550 1 4 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.241 -0.530 19586 2551 1 4 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.085 -1.992 19586 2552 1 4 . 1 1 102 102 ALA CB C 102 15.114 15.114 19.201 -4.087 19586 2553 1 4 . 1 1 102 102 ALA H H 102 9.178 9.178 8.656 0.522 19586 2554 1 4 . 1 1 103 103 ALA N N 103 118.443 118.443 118.203 0.240 19586 2555 1 4 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.356 -0.495 19586 2556 1 4 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.799 -0.390 19586 2557 1 4 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.759 -2.304 19586 2558 1 4 . 1 1 103 103 ALA H H 103 8.132 8.132 8.323 -0.191 19586 2559 1 4 . 1 1 104 104 GLU N N 104 120.139 120.139 120.075 0.064 19586 2560 1 4 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.150 -0.311 19586 2561 1 4 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.550 -2.987 19586 2562 1 4 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.643 -3.243 19586 2563 1 4 . 1 1 104 104 GLU H H 104 7.786 7.786 7.703 0.083 19586 2564 1 4 . 1 1 105 105 LEU N N 105 121.545 121.545 119.455 2.090 19586 2565 1 4 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.971 -0.069 19586 2566 1 4 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.045 -2.313 19586 2567 1 4 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.504 -1.295 19586 2568 1 4 . 1 1 105 105 LEU H H 105 8.240 8.240 8.194 0.046 19586 2569 1 4 . 1 1 106 106 ARG N N 106 118.625 118.625 118.703 -0.078 19586 2570 1 4 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.967 -0.128 19586 2571 1 4 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.151 -1.806 19586 2572 1 4 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.360 1.030 19586 2573 1 4 . 1 1 106 106 ARG H H 106 8.761 8.761 8.511 0.250 19586 2574 1 4 . 1 1 107 107 HIS N N 107 119.052 119.052 119.421 -0.369 19586 2575 1 4 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.396 -0.494 19586 2576 1 4 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.609 -2.802 19586 2577 1 4 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.150 -2.952 19586 2578 1 4 . 1 1 107 107 HIS H H 107 7.946 7.946 7.484 0.462 19586 2579 1 4 . 1 1 108 108 VAL N N 108 119.160 119.160 120.530 -1.370 19586 2580 1 4 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.817 -0.375 19586 2581 1 4 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.214 -0.929 19586 2582 1 4 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.223 -2.315 19586 2583 1 4 . 1 1 108 108 VAL H H 108 7.736 7.736 8.535 -0.799 19586 2584 1 4 . 1 1 109 109 MET N N 109 115.333 115.333 116.610 -1.277 19586 2585 1 4 . 1 1 109 109 MET HA H 109 4.139 4.139 4.005 0.134 19586 2586 1 4 . 1 1 109 109 MET CA C 109 54.686 54.686 57.693 -3.007 19586 2587 1 4 . 1 1 109 109 MET CB C 109 29.706 29.706 30.829 -1.123 19586 2588 1 4 . 1 1 109 109 MET H H 109 8.074 8.074 8.932 -0.858 19586 2589 1 4 . 1 1 110 110 THR N N 110 116.714 116.714 113.622 3.092 19586 2590 1 4 . 1 1 110 110 THR HA H 110 3.935 3.935 4.208 -0.273 19586 2591 1 4 . 1 1 110 110 THR CA C 110 63.845 63.845 66.607 -2.762 19586 2592 1 4 . 1 1 110 110 THR CB C 110 66.072 66.072 68.527 -2.455 19586 2593 1 4 . 1 1 110 110 THR H H 110 8.515 8.515 7.793 0.722 19586 2594 1 4 . 1 1 111 111 ASN N N 111 123.784 123.784 120.464 3.320 19586 2595 1 4 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.553 -0.311 19586 2596 1 4 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.087 -1.994 19586 2597 1 4 . 1 1 111 111 ASN CB C 111 35.292 35.292 37.715 -2.423 19586 2598 1 4 . 1 1 111 111 ASN H H 111 7.890 7.890 7.877 0.013 19586 2599 1 4 . 1 1 112 112 LEU N N 112 118.227 118.227 118.169 0.058 19586 2600 1 4 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.251 -0.136 19586 2601 1 4 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.279 -2.626 19586 2602 1 4 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.804 -2.066 19586 2603 1 4 . 1 1 112 112 LEU H H 112 7.621 7.621 7.534 0.087 19586 2604 1 4 . 1 1 113 113 GLY N N 113 106.787 106.787 105.120 1.667 19586 2605 1 4 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.086 -2.550 19586 2606 1 4 . 1 1 113 113 GLY H H 113 7.701 7.701 7.542 0.159 19586 2607 1 4 . 1 1 114 114 GLU N N 114 120.288 120.288 120.063 0.225 19586 2608 1 4 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.481 -0.239 19586 2609 1 4 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.687 -1.620 19586 2610 1 4 . 1 1 114 114 GLU CB C 114 26.616 26.616 29.607 -2.991 19586 2611 1 4 . 1 1 114 114 GLU H H 114 7.864 7.864 7.795 0.069 19586 2612 1 4 . 1 1 115 115 LYS N N 115 124.987 124.987 125.895 -0.908 19586 2613 1 4 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.102 0.121 19586 2614 1 4 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.673 -3.825 19586 2615 1 4 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.471 -0.514 19586 2616 1 4 . 1 1 115 115 LYS H H 115 8.491 8.491 8.416 0.075 19586 2617 1 4 . 1 1 116 116 LEU N N 116 124.912 124.912 121.675 3.237 19586 2618 1 4 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.727 -0.015 19586 2619 1 4 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.161 -2.072 19586 2620 1 4 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.920 -1.333 19586 2621 1 4 . 1 1 116 116 LEU H H 116 7.978 7.978 7.745 0.233 19586 2622 1 4 . 1 1 117 117 THR N N 117 114.220 114.220 112.853 1.367 19586 2623 1 4 . 1 1 117 117 THR HA H 117 4.302 4.302 4.391 -0.089 19586 2624 1 4 . 1 1 117 117 THR CA C 117 57.834 57.834 60.214 -2.380 19586 2625 1 4 . 1 1 117 117 THR CB C 117 68.580 68.580 70.679 -2.099 19586 2626 1 4 . 1 1 117 117 THR H H 117 9.093 9.093 8.054 1.039 19586 2627 1 4 . 1 1 118 118 ASP N N 118 120.925 120.925 121.265 -0.340 19586 2628 1 4 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.285 -0.227 19586 2629 1 4 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.980 -2.737 19586 2630 1 4 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.812 -3.810 19586 2631 1 4 . 1 1 118 118 ASP H H 118 8.764 8.764 8.630 0.134 19586 2632 1 4 . 1 1 119 119 GLU N N 119 119.395 119.395 118.183 1.212 19586 2633 1 4 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.999 -0.072 19586 2634 1 4 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.210 -2.061 19586 2635 1 4 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.874 -2.943 19586 2636 1 4 . 1 1 119 119 GLU H H 119 8.509 8.509 8.693 -0.184 19586 2637 1 4 . 1 1 120 120 GLU N N 120 119.909 119.909 118.933 0.976 19586 2638 1 4 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.148 -0.252 19586 2639 1 4 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.433 -2.114 19586 2640 1 4 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.996 -4.166 19586 2641 1 4 . 1 1 120 120 GLU H H 120 7.585 7.585 7.622 -0.037 19586 2642 1 4 . 1 1 121 121 VAL N N 121 122.092 122.092 118.052 4.040 19586 2643 1 4 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.809 -0.367 19586 2644 1 4 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.546 -1.456 19586 2645 1 4 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.474 -2.794 19586 2646 1 4 . 1 1 121 121 VAL H H 121 7.849 7.849 7.181 0.668 19586 2647 1 4 . 1 1 122 122 ASP N N 122 120.167 120.167 120.977 -0.810 19586 2648 1 4 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.303 -0.146 19586 2649 1 4 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.276 -3.375 19586 2650 1 4 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.827 -3.255 19586 2651 1 4 . 1 1 122 122 ASP H H 122 7.912 7.912 8.682 -0.770 19586 2652 1 4 . 1 1 123 123 GLU N N 123 119.087 119.087 118.017 1.070 19586 2653 1 4 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.138 -0.242 19586 2654 1 4 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.992 -2.380 19586 2655 1 4 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.543 -3.371 19586 2656 1 4 . 1 1 123 123 GLU H H 123 7.839 7.839 8.023 -0.184 19586 2657 1 4 . 1 1 124 124 MET N N 124 118.897 118.897 116.834 2.063 19586 2658 1 4 . 1 1 124 124 MET HA H 124 3.867 3.867 4.227 -0.360 19586 2659 1 4 . 1 1 124 124 MET CA C 124 56.905 56.905 58.683 -1.778 19586 2660 1 4 . 1 1 124 124 MET CB C 124 29.250 29.250 33.351 -4.101 19586 2661 1 4 . 1 1 124 124 MET H H 124 7.433 7.433 7.391 0.042 19586 2662 1 4 . 1 1 125 125 ILE N N 125 118.001 118.001 112.817 5.184 19586 2663 1 4 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.400 -1.020 19586 2664 1 4 . 1 1 125 125 ILE CA C 125 60.131 60.131 62.090 -1.959 19586 2665 1 4 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.868 -5.628 19586 2666 1 4 . 1 1 125 125 ILE H H 125 7.658 7.658 8.055 -0.397 19586 2667 1 4 . 1 1 126 126 ARG N N 126 117.720 117.720 119.878 -2.158 19586 2668 1 4 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.148 -0.265 19586 2669 1 4 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.293 -2.620 19586 2670 1 4 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.228 -0.750 19586 2671 1 4 . 1 1 126 126 ARG H H 126 7.974 7.974 8.291 -0.317 19586 2672 1 4 . 1 1 127 127 GLU N N 127 117.050 117.050 117.207 -0.157 19586 2673 1 4 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.272 -0.305 19586 2674 1 4 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.273 -1.954 19586 2675 1 4 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.880 -3.594 19586 2676 1 4 . 1 1 127 127 GLU H H 127 7.635 7.635 7.877 -0.242 19586 2677 1 4 . 1 1 128 128 ALA N N 128 116.966 116.966 120.845 -3.879 19586 2678 1 4 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.436 0.064 19586 2679 1 4 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.600 -4.396 19586 2680 1 4 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.943 0.162 19586 2681 1 4 . 1 1 128 128 ALA H H 128 7.155 7.155 7.359 -0.204 19586 2682 1 4 . 1 1 129 129 ASP N N 129 118.033 118.033 119.006 -0.973 19586 2683 1 4 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.906 -0.555 19586 2684 1 4 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.206 -1.384 19586 2685 1 4 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.766 -4.080 19586 2686 1 4 . 1 1 129 129 ASP H H 129 7.806 7.806 7.632 0.174 19586 2687 1 4 . 1 1 130 130 ILE N N 130 127.927 127.927 121.389 6.538 19586 2688 1 4 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.125 -0.328 19586 2689 1 4 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.026 -2.504 19586 2690 1 4 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.140 -2.050 19586 2691 1 4 . 1 1 130 130 ILE H H 130 8.115 8.115 8.571 -0.456 19586 2692 1 4 . 1 1 131 131 ASP N N 131 116.634 116.634 119.578 -2.944 19586 2693 1 4 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.736 -0.393 19586 2694 1 4 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.444 -2.257 19586 2695 1 4 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.242 -3.774 19586 2696 1 4 . 1 1 131 131 ASP H H 131 8.202 8.202 7.962 0.240 19586 2697 1 4 . 1 1 132 132 GLY N N 132 108.586 108.586 109.012 -0.426 19586 2698 1 4 . 1 1 132 132 GLY CA C 132 44.638 44.638 46.021 -1.383 19586 2699 1 4 . 1 1 132 132 GLY H H 132 7.535 7.535 7.466 0.069 19586 2700 1 4 . 1 1 133 133 ASP N N 133 120.377 120.377 120.235 0.142 19586 2701 1 4 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.589 -0.238 19586 2702 1 4 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.531 -3.589 19586 2703 1 4 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.312 -3.854 19586 2704 1 4 . 1 1 133 133 ASP H H 133 8.215 8.215 8.780 -0.565 19586 2705 1 4 . 1 1 134 134 GLY N N 134 112.226 112.226 107.484 4.742 19586 2706 1 4 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.348 -2.226 19586 2707 1 4 . 1 1 134 134 GLY H H 134 9.971 9.971 8.567 1.404 19586 2708 1 4 . 1 1 135 135 GLN N N 135 115.229 115.229 116.885 -1.656 19586 2709 1 4 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.941 -0.810 19586 2710 1 4 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.396 -3.942 19586 2711 1 4 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.105 -3.491 19586 2712 1 4 . 1 1 135 135 GLN H H 135 7.835 7.835 7.568 0.267 19586 2713 1 4 . 1 1 136 136 VAL N N 136 125.238 125.238 121.015 4.223 19586 2714 1 4 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.357 0.739 19586 2715 1 4 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.568 -1.855 19586 2716 1 4 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.874 -1.458 19586 2717 1 4 . 1 1 136 136 VAL H H 136 8.958 8.958 8.756 0.202 19586 2718 1 4 . 1 1 137 137 ASN N N 137 129.058 129.058 125.823 3.235 19586 2719 1 4 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.960 0.266 19586 2720 1 4 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.139 -3.788 19586 2721 1 4 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.957 -4.317 19586 2722 1 4 . 1 1 137 137 ASN H H 137 9.435 9.435 8.807 0.628 19586 2723 1 4 . 1 1 138 138 TYR N N 138 118.627 118.627 119.749 -1.122 19586 2724 1 4 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.087 -0.895 19586 2725 1 4 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.449 -0.780 19586 2726 1 4 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.714 -0.142 19586 2727 1 4 . 1 1 138 138 TYR H H 138 8.146 8.146 7.850 0.296 19586 2728 1 4 . 1 1 139 139 GLU N N 139 118.701 118.701 118.769 -0.068 19586 2729 1 4 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.945 -0.434 19586 2730 1 4 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.244 -1.704 19586 2731 1 4 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.622 -2.348 19586 2732 1 4 . 1 1 139 139 GLU H H 139 7.974 7.974 8.094 -0.120 19586 2733 1 4 . 1 1 140 140 GLU N N 140 119.774 119.774 119.634 0.140 19586 2734 1 4 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.168 -0.257 19586 2735 1 4 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.989 -2.964 19586 2736 1 4 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.427 -3.153 19586 2737 1 4 . 1 1 140 140 GLU H H 140 8.676 8.676 8.035 0.641 19586 2738 1 4 . 1 1 141 141 PHE N N 141 124.074 124.074 119.691 4.383 19586 2739 1 4 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.311 -0.664 19586 2740 1 4 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.692 -1.245 19586 2741 1 4 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.485 -1.799 19586 2742 1 4 . 1 1 141 141 PHE H H 141 8.507 8.507 7.629 0.878 19586 2743 1 4 . 1 1 142 142 VAL N N 142 119.203 119.203 115.548 3.655 19586 2744 1 4 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.649 -0.691 19586 2745 1 4 . 1 1 142 142 VAL CA C 142 64.432 64.432 64.811 -0.379 19586 2746 1 4 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.750 -1.842 19586 2747 1 4 . 1 1 142 142 VAL H H 142 8.639 8.639 7.444 1.195 19586 2748 1 4 . 1 1 143 143 GLN N N 143 120.173 120.173 119.478 0.695 19586 2749 1 4 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.950 -0.279 19586 2750 1 4 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.743 -2.229 19586 2751 1 4 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.510 -3.264 19586 2752 1 4 . 1 1 143 143 GLN H H 143 7.818 7.818 7.581 0.237 19586 2753 1 4 . 1 1 144 144 MET N N 144 118.573 118.573 115.046 3.527 19586 2754 1 4 . 1 1 144 144 MET HA H 144 3.882 3.882 4.416 -0.534 19586 2755 1 4 . 1 1 144 144 MET CA C 144 55.683 55.683 55.842 -0.159 19586 2756 1 4 . 1 1 144 144 MET CB C 144 28.110 28.110 32.292 -4.182 19586 2757 1 4 . 1 1 144 144 MET H H 144 7.403 7.403 7.389 0.014 19586 2758 1 4 . 1 1 145 145 MET N N 145 114.053 114.053 117.731 -3.678 19586 2759 1 4 . 1 1 145 145 MET HA H 145 3.940 3.940 4.262 -0.322 19586 2760 1 4 . 1 1 145 145 MET CA C 145 53.630 53.630 58.527 -4.897 19586 2761 1 4 . 1 1 145 145 MET CB C 145 29.592 29.592 32.879 -3.287 19586 2762 1 4 . 1 1 145 145 MET H H 145 7.534 7.534 7.662 -0.128 19586 2763 1 4 . 1 1 146 146 THR N N 146 109.275 109.275 115.193 -5.918 19586 2764 1 4 . 1 1 146 146 THR HA H 146 4.175 4.175 4.158 0.017 19586 2765 1 4 . 1 1 146 146 THR CA C 146 59.251 59.251 64.526 -5.275 19586 2766 1 4 . 1 1 146 146 THR CB C 146 67.896 67.896 69.153 -1.258 19586 2767 1 4 . 1 1 146 146 THR H H 146 7.554 7.554 7.730 -0.176 19586 2768 1 4 . 1 1 147 147 ALA N N 147 126.913 126.913 123.120 3.793 19586 2769 1 4 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.545 -0.428 19586 2770 1 4 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.236 -0.929 19586 2771 1 4 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.056 -3.720 19586 2772 1 4 . 1 1 147 147 ALA H H 147 7.406 7.406 7.280 0.126 19586 2773 1 5 . 1 1 2 2 ASP N N 2 120.378 120.378 121.400 -1.022 19586 2774 1 5 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.828 -0.243 19586 2775 1 5 . 1 1 2 2 ASP CA C 2 51.960 51.960 53.903 -1.943 19586 2776 1 5 . 1 1 2 2 ASP H H 2 8.506 8.506 8.455 0.051 19586 2777 1 5 . 1 1 3 3 GLN N N 3 119.707 119.707 119.931 -0.224 19586 2778 1 5 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.533 -0.321 19586 2779 1 5 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.279 -2.544 19586 2780 1 5 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.100 -0.026 19586 2781 1 5 . 1 1 3 3 GLN H H 3 8.208 8.208 8.442 -0.234 19586 2782 1 5 . 1 1 4 4 LEU N N 4 123.069 123.069 123.734 -0.665 19586 2783 1 5 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.640 -0.500 19586 2784 1 5 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.022 -3.364 19586 2785 1 5 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.858 -3.233 19586 2786 1 5 . 1 1 4 4 LEU H H 4 8.181 8.181 8.845 -0.664 19586 2787 1 5 . 1 1 5 5 THR N N 5 112.909 112.909 114.328 -1.419 19586 2788 1 5 . 1 1 5 5 THR HA H 5 4.322 4.322 3.863 0.459 19586 2789 1 5 . 1 1 5 5 THR CA C 5 57.687 57.687 65.406 -7.719 19586 2790 1 5 . 1 1 5 5 THR CB C 5 68.580 68.580 67.867 0.713 19586 2791 1 5 . 1 1 5 5 THR H H 5 8.607 8.607 8.897 -0.290 19586 2792 1 5 . 1 1 6 6 GLU N N 6 120.224 120.224 118.870 1.354 19586 2793 1 5 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.146 -0.321 19586 2794 1 5 . 1 1 6 6 GLU CA C 6 57.247 57.247 57.596 -0.349 19586 2795 1 5 . 1 1 6 6 GLU CB C 6 29.136 29.136 30.329 -1.193 19586 2796 1 5 . 1 1 6 6 GLU H H 6 8.877 8.877 7.537 1.340 19586 2797 1 5 . 1 1 7 7 GLU N N 7 119.350 119.350 117.788 1.562 19586 2798 1 5 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.254 -0.337 19586 2799 1 5 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.371 -1.173 19586 2800 1 5 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.544 -3.270 19586 2801 1 5 . 1 1 7 7 GLU H H 7 8.524 8.524 8.807 -0.283 19586 2802 1 5 . 1 1 8 8 GLN N N 8 119.917 119.917 116.054 3.863 19586 2803 1 5 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.196 -0.293 19586 2804 1 5 . 1 1 8 8 GLN CA C 8 55.976 55.976 56.589 -0.613 19586 2805 1 5 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.286 -2.886 19586 2806 1 5 . 1 1 8 8 GLN H H 8 7.603 7.603 8.248 -0.645 19586 2807 1 5 . 1 1 9 9 ILE N N 9 119.503 119.503 111.371 8.132 19586 2808 1 5 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.478 -0.839 19586 2809 1 5 . 1 1 9 9 ILE CA C 9 63.796 63.796 59.981 3.815 19586 2810 1 5 . 1 1 9 9 ILE CB C 9 35.178 35.178 41.159 -5.981 19586 2811 1 5 . 1 1 9 9 ILE H H 9 8.260 8.260 7.514 0.746 19586 2812 1 5 . 1 1 10 10 ALA N N 10 121.044 121.044 127.944 -6.900 19586 2813 1 5 . 1 1 10 10 ALA HA H 10 3.961 3.961 3.987 -0.026 19586 2814 1 5 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.645 -1.943 19586 2815 1 5 . 1 1 10 10 ALA CB C 10 15.114 15.114 16.843 -1.729 19586 2816 1 5 . 1 1 10 10 ALA H H 10 7.840 7.840 8.760 -0.920 19586 2817 1 5 . 1 1 11 11 GLU N N 11 119.113 119.113 119.481 -0.368 19586 2818 1 5 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.448 -0.540 19586 2819 1 5 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.732 -1.169 19586 2820 1 5 . 1 1 11 11 GLU CB C 11 26.400 26.400 30.076 -3.676 19586 2821 1 5 . 1 1 11 11 GLU H H 11 7.635 7.635 8.251 -0.616 19586 2822 1 5 . 1 1 12 12 PHE N N 12 119.574 119.574 119.771 -0.197 19586 2823 1 5 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.539 0.247 19586 2824 1 5 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.707 -4.753 19586 2825 1 5 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.280 -4.216 19586 2826 1 5 . 1 1 12 12 PHE H H 12 8.441 8.441 8.373 0.068 19586 2827 1 5 . 1 1 13 13 LYS N N 13 123.454 123.454 118.835 4.619 19586 2828 1 5 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.353 -0.450 19586 2829 1 5 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.368 -1.072 19586 2830 1 5 . 1 1 13 13 LYS CB C 13 29.592 29.592 31.849 -2.257 19586 2831 1 5 . 1 1 13 13 LYS H H 13 9.103 9.103 8.518 0.585 19586 2832 1 5 . 1 1 14 14 GLU N N 14 119.525 119.525 117.639 1.886 19586 2833 1 5 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.366 -0.455 19586 2834 1 5 . 1 1 14 14 GLU CA C 14 56.465 56.465 58.249 -1.784 19586 2835 1 5 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.235 -3.733 19586 2836 1 5 . 1 1 14 14 GLU H H 14 7.667 7.667 8.083 -0.416 19586 2837 1 5 . 1 1 15 15 ALA N N 15 121.983 121.983 122.347 -0.364 19586 2838 1 5 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.144 -0.183 19586 2839 1 5 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.747 -1.996 19586 2840 1 5 . 1 1 15 15 ALA CB C 15 15.228 15.228 19.041 -3.813 19586 2841 1 5 . 1 1 15 15 ALA H H 15 7.816 7.816 7.850 -0.034 19586 2842 1 5 . 1 1 16 16 PHE N N 16 118.874 118.874 118.764 0.110 19586 2843 1 5 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.074 -0.979 19586 2844 1 5 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.652 -1.108 19586 2845 1 5 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.273 -2.499 19586 2846 1 5 . 1 1 16 16 PHE H H 16 8.764 8.764 8.670 0.094 19586 2847 1 5 . 1 1 17 17 SER N N 17 111.578 111.578 113.128 -1.550 19586 2848 1 5 . 1 1 17 17 SER HA H 17 3.979 3.979 4.257 -0.278 19586 2849 1 5 . 1 1 17 17 SER CA C 17 58.567 58.567 60.045 -1.478 19586 2850 1 5 . 1 1 17 17 SER CB C 17 60.600 60.600 62.950 -2.350 19586 2851 1 5 . 1 1 17 17 SER H H 17 7.825 7.825 8.634 -0.809 19586 2852 1 5 . 1 1 18 18 LEU N N 18 121.167 121.167 119.748 1.419 19586 2853 1 5 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.027 -0.080 19586 2854 1 5 . 1 1 18 18 LEU CA C 18 54.608 54.608 56.943 -2.335 19586 2855 1 5 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.178 -2.539 19586 2856 1 5 . 1 1 18 18 LEU H H 18 7.240 7.240 7.101 0.139 19586 2857 1 5 . 1 1 19 19 PHE N N 19 114.405 114.405 114.449 -0.044 19586 2858 1 5 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.394 -0.483 19586 2859 1 5 . 1 1 19 19 PHE CA C 19 57.247 57.247 58.840 -1.593 19586 2860 1 5 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.773 -5.963 19586 2861 1 5 . 1 1 19 19 PHE H H 19 7.090 7.090 7.247 -0.157 19586 2862 1 5 . 1 1 20 20 ASP N N 20 115.823 115.823 120.128 -4.305 19586 2863 1 5 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.524 -0.048 19586 2864 1 5 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.821 -5.345 19586 2865 1 5 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.073 -2.291 19586 2866 1 5 . 1 1 20 20 ASP H H 20 7.662 7.662 7.792 -0.130 19586 2867 1 5 . 1 1 21 21 LYS N N 21 124.906 124.906 122.754 2.152 19586 2868 1 5 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.125 -0.339 19586 2869 1 5 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.855 -1.830 19586 2870 1 5 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.190 -2.490 19586 2871 1 5 . 1 1 21 21 LYS H H 21 7.539 7.539 8.025 -0.486 19586 2872 1 5 . 1 1 22 22 ASP N N 22 113.550 113.550 118.433 -4.883 19586 2873 1 5 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.650 -0.219 19586 2874 1 5 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.972 -5.007 19586 2875 1 5 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.304 -4.530 19586 2876 1 5 . 1 1 22 22 ASP H H 22 7.965 7.965 7.918 0.047 19586 2877 1 5 . 1 1 23 23 GLY N N 23 109.354 109.354 107.928 1.426 19586 2878 1 5 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.944 -1.502 19586 2879 1 5 . 1 1 23 23 GLY H H 23 7.606 7.606 8.753 -1.147 19586 2880 1 5 . 1 1 24 24 ASP N N 24 120.643 120.643 120.704 -0.061 19586 2881 1 5 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.767 -0.412 19586 2882 1 5 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.109 -3.069 19586 2883 1 5 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.069 -3.383 19586 2884 1 5 . 1 1 24 24 ASP H H 24 8.266 8.266 8.381 -0.115 19586 2885 1 5 . 1 1 25 25 GLY N N 25 113.205 113.205 106.798 6.407 19586 2886 1 5 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.274 -2.591 19586 2887 1 5 . 1 1 25 25 GLY H H 25 10.545 10.545 8.161 2.384 19586 2888 1 5 . 1 1 26 26 THR N N 26 112.852 112.852 109.483 3.369 19586 2889 1 5 . 1 1 26 26 THR HA H 26 5.170 5.170 5.849 -0.679 19586 2890 1 5 . 1 1 26 26 THR CA C 26 56.954 56.954 60.037 -3.083 19586 2891 1 5 . 1 1 26 26 THR CB C 26 69.948 69.948 71.969 -2.021 19586 2892 1 5 . 1 1 26 26 THR H H 26 8.020 8.020 7.527 0.493 19586 2893 1 5 . 1 1 27 27 ILE N N 27 127.005 127.005 119.672 7.333 19586 2894 1 5 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.454 -0.627 19586 2895 1 5 . 1 1 27 27 ILE CA C 27 57.931 57.931 58.928 -0.998 19586 2896 1 5 . 1 1 27 27 ILE CB C 27 37.230 37.230 41.389 -4.159 19586 2897 1 5 . 1 1 27 27 ILE H H 27 9.689 9.689 7.935 1.754 19586 2898 1 5 . 1 1 28 28 THR N N 28 116.439 116.439 116.026 0.413 19586 2899 1 5 . 1 1 28 28 THR HA H 28 4.642 4.642 4.273 0.369 19586 2900 1 5 . 1 1 28 28 THR CA C 28 56.612 56.612 62.869 -6.257 19586 2901 1 5 . 1 1 28 28 THR CB C 28 69.606 69.606 69.718 -0.111 19586 2902 1 5 . 1 1 28 28 THR H H 28 8.275 8.275 8.482 -0.207 19586 2903 1 5 . 1 1 29 29 THR N N 29 113.287 113.287 117.174 -3.887 19586 2904 1 5 . 1 1 29 29 THR HA H 29 3.635 3.635 4.118 -0.483 19586 2905 1 5 . 1 1 29 29 THR CA C 29 63.845 63.845 65.873 -2.028 19586 2906 1 5 . 1 1 29 29 THR CB C 29 65.616 65.616 68.932 -3.316 19586 2907 1 5 . 1 1 29 29 THR H H 29 9.054 9.054 8.529 0.525 19586 2908 1 5 . 1 1 30 30 LYS N N 30 121.230 121.230 117.892 3.338 19586 2909 1 5 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.115 -0.212 19586 2910 1 5 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.101 -1.636 19586 2911 1 5 . 1 1 30 30 LYS CB C 30 29.700 29.700 31.998 -2.298 19586 2912 1 5 . 1 1 30 30 LYS H H 30 7.578 7.578 8.297 -0.719 19586 2913 1 5 . 1 1 31 31 GLU N N 31 122.002 122.002 117.419 4.583 19586 2914 1 5 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.176 -0.313 19586 2915 1 5 . 1 1 31 31 GLU CA C 31 57.149 57.149 59.233 -2.084 19586 2916 1 5 . 1 1 31 31 GLU CB C 31 26.058 26.058 29.846 -3.788 19586 2917 1 5 . 1 1 31 31 GLU H H 31 7.712 7.712 7.442 0.270 19586 2918 1 5 . 1 1 32 32 LEU N N 32 119.130 119.130 119.072 0.058 19586 2919 1 5 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.230 -0.305 19586 2920 1 5 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.614 -1.085 19586 2921 1 5 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.654 -1.673 19586 2922 1 5 . 1 1 32 32 LEU H H 32 8.509 8.509 7.605 0.904 19586 2923 1 5 . 1 1 33 33 GLY N N 33 103.747 103.747 105.813 -2.066 19586 2924 1 5 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.078 -0.414 19586 2925 1 5 . 1 1 33 33 GLY H H 33 8.388 8.388 7.702 0.686 19586 2926 1 5 . 1 1 34 34 THR N N 34 117.487 117.487 116.154 1.333 19586 2927 1 5 . 1 1 34 34 THR HA H 34 3.795 3.795 4.548 -0.753 19586 2928 1 5 . 1 1 34 34 THR CA C 34 64.285 64.285 62.870 1.415 19586 2929 1 5 . 1 1 34 34 THR CB C 34 66.186 66.186 68.721 -2.535 19586 2930 1 5 . 1 1 34 34 THR H H 34 7.935 7.935 7.450 0.485 19586 2931 1 5 . 1 1 35 35 VAL N N 35 120.287 120.287 120.547 -0.260 19586 2932 1 5 . 1 1 35 35 VAL H H 35 7.089 7.089 7.254 -0.165 19586 2933 1 5 . 1 1 36 36 MET N N 36 117.816 117.816 118.459 -0.643 19586 2934 1 5 . 1 1 36 36 MET HA H 36 3.911 3.911 4.080 -0.169 19586 2935 1 5 . 1 1 36 36 MET CA C 36 57.101 57.101 59.265 -2.164 19586 2936 1 5 . 1 1 36 36 MET CB C 36 29.929 29.929 32.284 -2.355 19586 2937 1 5 . 1 1 36 36 MET H H 36 8.318 8.318 7.546 0.772 19586 2938 1 5 . 1 1 37 37 ARG N N 37 117.706 117.706 118.438 -0.732 19586 2939 1 5 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.118 0.580 19586 2940 1 5 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.067 -1.895 19586 2941 1 5 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.365 -2.281 19586 2942 1 5 . 1 1 37 37 ARG H H 37 8.233 8.233 8.578 -0.345 19586 2943 1 5 . 1 1 38 38 SER N N 38 118.974 118.974 113.709 5.265 19586 2944 1 5 . 1 1 38 38 SER HA H 38 4.187 4.187 4.399 -0.212 19586 2945 1 5 . 1 1 38 38 SER CA C 38 59.251 59.251 59.879 -0.628 19586 2946 1 5 . 1 1 38 38 SER CB C 38 67.782 67.782 63.136 4.646 19586 2947 1 5 . 1 1 38 38 SER H H 38 7.874 7.874 7.630 0.244 19586 2948 1 5 . 1 1 39 39 LEU N N 39 118.835 118.835 122.709 -3.874 19586 2949 1 5 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.650 -0.511 19586 2950 1 5 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.655 -3.322 19586 2951 1 5 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.074 -2.436 19586 2952 1 5 . 1 1 39 39 LEU H H 39 7.248 7.248 7.502 -0.254 19586 2953 1 5 . 1 1 40 40 GLY N N 40 104.990 104.990 105.501 -0.511 19586 2954 1 5 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.541 -2.663 19586 2955 1 5 . 1 1 40 40 GLY H H 40 7.471 7.471 8.300 -0.829 19586 2956 1 5 . 1 1 41 41 GLN N N 41 118.032 118.032 118.888 -0.856 19586 2957 1 5 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.552 -0.182 19586 2958 1 5 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.417 -3.230 19586 2959 1 5 . 1 1 41 41 GLN CB C 41 30.618 30.618 30.748 -0.130 19586 2960 1 5 . 1 1 41 41 GLN H H 41 7.860 7.860 7.679 0.181 19586 2961 1 5 . 1 1 42 42 ASN N N 42 115.671 115.671 117.046 -1.375 19586 2962 1 5 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.079 0.015 19586 2963 1 5 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.960 -2.266 19586 2964 1 5 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.450 -2.896 19586 2965 1 5 . 1 1 42 42 ASN H H 42 8.561 8.561 8.370 0.191 19586 2966 1 5 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.627 0.084 19586 2967 1 5 . 1 1 44 44 THR N N 44 113.509 113.509 121.121 -7.612 19586 2968 1 5 . 1 1 44 44 THR HA H 44 4.321 4.321 4.219 0.102 19586 2969 1 5 . 1 1 44 44 THR CA C 44 57.638 57.638 62.852 -5.214 19586 2970 1 5 . 1 1 44 44 THR CB C 44 68.466 68.466 67.929 0.537 19586 2971 1 5 . 1 1 44 44 THR H H 44 8.882 8.882 8.370 0.512 19586 2972 1 5 . 1 1 45 45 GLU N N 45 120.506 120.506 127.223 -6.717 19586 2973 1 5 . 1 1 45 45 GLU HA H 45 3.880 3.880 4.010 -0.130 19586 2974 1 5 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.428 -2.327 19586 2975 1 5 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.422 -3.148 19586 2976 1 5 . 1 1 45 45 GLU H H 45 8.662 8.662 8.074 0.588 19586 2977 1 5 . 1 1 46 46 ALA N N 46 120.586 120.586 119.541 1.045 19586 2978 1 5 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.206 -0.281 19586 2979 1 5 . 1 1 46 46 ALA CA C 46 52.311 52.311 53.839 -1.528 19586 2980 1 5 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.497 -3.417 19586 2981 1 5 . 1 1 46 46 ALA H H 46 8.139 8.139 8.389 -0.250 19586 2982 1 5 . 1 1 47 47 GLU N N 47 118.171 118.171 118.635 -0.464 19586 2983 1 5 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.098 -0.222 19586 2984 1 5 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.788 -2.518 19586 2985 1 5 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.707 -3.421 19586 2986 1 5 . 1 1 47 47 GLU H H 47 7.597 7.597 7.556 0.041 19586 2987 1 5 . 1 1 48 48 LEU N N 48 120.228 120.228 117.088 3.140 19586 2988 1 5 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.094 -0.167 19586 2989 1 5 . 1 1 48 48 LEU CA C 48 55.048 55.048 58.001 -2.953 19586 2990 1 5 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.078 -0.097 19586 2991 1 5 . 1 1 48 48 LEU H H 48 7.848 7.848 7.477 0.371 19586 2992 1 5 . 1 1 49 49 GLN N N 49 117.910 117.910 119.112 -1.202 19586 2993 1 5 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.100 -0.199 19586 2994 1 5 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.815 -3.083 19586 2995 1 5 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.604 -0.722 19586 2996 1 5 . 1 1 49 49 GLN H H 49 8.037 8.037 8.175 -0.138 19586 2997 1 5 . 1 1 50 50 ASP N N 50 119.284 119.284 119.703 -0.419 19586 2998 1 5 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.479 -0.322 19586 2999 1 5 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.751 -2.045 19586 3000 1 5 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.653 -3.081 19586 3001 1 5 . 1 1 50 50 ASP H H 50 8.010 8.010 7.772 0.238 19586 3002 1 5 . 1 1 51 51 MET N N 51 119.245 119.245 117.254 1.991 19586 3003 1 5 . 1 1 51 51 MET HA H 51 3.923 3.923 4.528 -0.605 19586 3004 1 5 . 1 1 51 51 MET CA C 51 56.563 56.563 56.553 0.010 19586 3005 1 5 . 1 1 51 51 MET CB C 51 29.478 29.478 33.684 -4.206 19586 3006 1 5 . 1 1 51 51 MET H H 51 7.614 7.614 7.609 0.005 19586 3007 1 5 . 1 1 52 52 ILE N N 52 117.584 117.584 121.606 -4.022 19586 3008 1 5 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.585 -0.257 19586 3009 1 5 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.871 -3.981 19586 3010 1 5 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.813 -3.319 19586 3011 1 5 . 1 1 52 52 ILE H H 52 7.514 7.514 8.860 -1.346 19586 3012 1 5 . 1 1 53 53 ASN N N 53 117.126 117.126 117.448 -0.322 19586 3013 1 5 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.593 -0.371 19586 3014 1 5 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.526 -3.433 19586 3015 1 5 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.495 -3.203 19586 3016 1 5 . 1 1 53 53 ASN H H 53 8.418 8.418 7.818 0.600 19586 3017 1 5 . 1 1 54 54 GLU N N 54 116.380 116.380 116.234 0.146 19586 3018 1 5 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.296 -0.393 19586 3019 1 5 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.237 -2.114 19586 3020 1 5 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.334 -3.934 19586 3021 1 5 . 1 1 54 54 GLU H H 54 7.466 7.466 8.279 -0.813 19586 3022 1 5 . 1 1 55 55 VAL N N 55 108.622 108.622 111.614 -2.992 19586 3023 1 5 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.329 -0.015 19586 3024 1 5 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.881 -3.705 19586 3025 1 5 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.689 -2.527 19586 3026 1 5 . 1 1 55 55 VAL H H 55 7.044 7.044 7.586 -0.542 19586 3027 1 5 . 1 1 56 56 ASP N N 56 121.430 121.430 122.527 -1.097 19586 3028 1 5 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.604 -0.214 19586 3029 1 5 . 1 1 56 56 ASP CA C 56 50.991 50.991 53.435 -2.444 19586 3030 1 5 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.433 -1.537 19586 3031 1 5 . 1 1 56 56 ASP H H 56 7.561 7.561 8.681 -1.120 19586 3032 1 5 . 1 1 57 57 ALA N N 57 131.840 131.840 124.371 7.469 19586 3033 1 5 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.137 -0.084 19586 3034 1 5 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.440 -2.960 19586 3035 1 5 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.109 -2.316 19586 3036 1 5 . 1 1 57 57 ALA H H 57 8.357 8.357 8.194 0.163 19586 3037 1 5 . 1 1 58 58 ASP N N 58 113.565 113.565 117.013 -3.448 19586 3038 1 5 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.703 -0.213 19586 3039 1 5 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.276 -3.360 19586 3040 1 5 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.250 -4.476 19586 3041 1 5 . 1 1 58 58 ASP H H 58 7.985 7.985 8.277 -0.292 19586 3042 1 5 . 1 1 59 59 GLY N N 59 108.187 108.187 109.490 -1.303 19586 3043 1 5 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.204 -1.713 19586 3044 1 5 . 1 1 59 59 GLY H H 59 7.424 7.424 7.538 -0.114 19586 3045 1 5 . 1 1 60 60 ASN N N 60 118.065 118.065 120.844 -2.779 19586 3046 1 5 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.660 -0.214 19586 3047 1 5 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.337 -3.568 19586 3048 1 5 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.098 -2.544 19586 3049 1 5 . 1 1 60 60 ASN H H 60 7.919 7.919 8.593 -0.674 19586 3050 1 5 . 1 1 61 61 GLY N N 61 113.247 113.247 106.792 6.455 19586 3051 1 5 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.490 -3.612 19586 3052 1 5 . 1 1 61 61 GLY H H 61 10.485 10.485 8.631 1.854 19586 3053 1 5 . 1 1 62 62 THR N N 62 108.699 108.699 112.033 -3.334 19586 3054 1 5 . 1 1 62 62 THR HA H 62 4.580 4.580 4.398 0.182 19586 3055 1 5 . 1 1 62 62 THR CA C 62 56.661 56.661 60.585 -3.924 19586 3056 1 5 . 1 1 62 62 THR H H 62 7.511 7.511 7.151 0.360 19586 3057 1 5 . 1 1 63 63 ILE N N 63 122.834 122.834 121.191 1.643 19586 3058 1 5 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.475 0.579 19586 3059 1 5 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.508 -2.407 19586 3060 1 5 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.683 -4.339 19586 3061 1 5 . 1 1 63 63 ILE H H 63 8.741 8.741 8.143 0.598 19586 3062 1 5 . 1 1 64 64 ASP N N 64 127.818 127.818 125.923 1.895 19586 3063 1 5 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.189 0.049 19586 3064 1 5 . 1 1 64 64 ASP CA C 64 49.378 49.378 53.117 -3.739 19586 3065 1 5 . 1 1 64 64 ASP CB C 64 36.782 36.782 42.911 -6.129 19586 3066 1 5 . 1 1 64 64 ASP H H 64 8.702 8.702 8.462 0.240 19586 3067 1 5 . 1 1 65 65 PHE N N 65 118.653 118.653 119.110 -0.457 19586 3068 1 5 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.447 -0.586 19586 3069 1 5 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.327 -2.610 19586 3070 1 5 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.453 -4.327 19586 3071 1 5 . 1 1 65 65 PHE H H 65 8.847 8.847 8.885 -0.038 19586 3072 1 5 . 1 1 67 67 GLU N N 67 117.631 117.631 116.568 1.063 19586 3073 1 5 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.281 -0.378 19586 3074 1 5 . 1 1 67 67 GLU CA C 67 56.337 56.337 57.120 -0.782 19586 3075 1 5 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.440 -2.395 19586 3076 1 5 . 1 1 67 67 GLU H H 67 7.940 7.940 8.579 -0.639 19586 3077 1 5 . 1 1 68 68 PHE N N 68 123.289 123.289 121.249 2.040 19586 3078 1 5 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.297 -0.457 19586 3079 1 5 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.470 -2.743 19586 3080 1 5 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.542 -1.970 19586 3081 1 5 . 1 1 68 68 PHE H H 68 8.757 8.757 7.647 1.110 19586 3082 1 5 . 1 1 69 69 LEU N N 69 118.867 118.867 117.450 1.417 19586 3083 1 5 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.105 -0.860 19586 3084 1 5 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.065 -1.907 19586 3085 1 5 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.681 -3.425 19586 3086 1 5 . 1 1 69 69 LEU H H 69 8.403 8.403 8.169 0.234 19586 3087 1 5 . 1 1 70 70 THR N N 70 116.302 116.302 113.544 2.758 19586 3088 1 5 . 1 1 70 70 THR HA H 70 3.624 3.624 3.980 -0.356 19586 3089 1 5 . 1 1 70 70 THR CA C 70 63.843 63.843 65.273 -1.430 19586 3090 1 5 . 1 1 70 70 THR CB C 70 65.502 65.502 68.538 -3.036 19586 3091 1 5 . 1 1 70 70 THR H H 70 7.540 7.540 7.976 -0.436 19586 3092 1 5 . 1 1 71 71 MET N N 71 121.710 121.710 120.841 0.869 19586 3093 1 5 . 1 1 71 71 MET HA H 71 3.903 3.903 4.196 -0.293 19586 3094 1 5 . 1 1 71 71 MET CA C 71 56.303 56.303 57.578 -1.275 19586 3095 1 5 . 1 1 71 71 MET CB C 71 29.706 29.706 32.008 -2.302 19586 3096 1 5 . 1 1 71 71 MET H H 71 7.723 7.723 7.493 0.230 19586 3097 1 5 . 1 1 72 72 MET N N 72 116.535 116.535 117.741 -1.206 19586 3098 1 5 . 1 1 72 72 MET HA H 72 3.773 3.773 4.154 -0.381 19586 3099 1 5 . 1 1 72 72 MET CA C 72 53.307 53.307 56.473 -3.166 19586 3100 1 5 . 1 1 72 72 MET CB C 72 28.787 28.787 32.094 -3.307 19586 3101 1 5 . 1 1 72 72 MET H H 72 7.982 7.982 7.770 0.212 19586 3102 1 5 . 1 1 73 73 ALA N N 73 121.584 121.584 122.996 -1.412 19586 3103 1 5 . 1 1 73 73 ALA HA H 73 3.880 3.880 3.977 -0.097 19586 3104 1 5 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.887 -2.792 19586 3105 1 5 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.144 -2.802 19586 3106 1 5 . 1 1 73 73 ALA H H 73 8.074 8.074 7.576 0.498 19586 3107 1 5 . 1 1 74 74 ARG N N 74 115.784 115.784 116.938 -1.154 19586 3108 1 5 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.085 -0.182 19586 3109 1 5 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.495 -2.764 19586 3110 1 5 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.346 -2.359 19586 3111 1 5 . 1 1 74 74 ARG H H 74 7.358 7.358 7.673 -0.315 19586 3112 1 5 . 1 1 75 75 LYS N N 75 117.245 117.245 118.062 -0.817 19586 3113 1 5 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.261 -0.312 19586 3114 1 5 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.522 -3.575 19586 3115 1 5 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.447 -6.047 19586 3116 1 5 . 1 1 75 75 LYS H H 75 7.640 7.640 7.947 -0.307 19586 3117 1 5 . 1 1 76 76 MET N N 76 117.971 117.971 119.803 -1.832 19586 3118 1 5 . 1 1 76 76 MET HA H 76 4.242 4.242 4.428 -0.186 19586 3119 1 5 . 1 1 76 76 MET CA C 76 53.947 53.947 55.155 -1.208 19586 3120 1 5 . 1 1 76 76 MET CB C 76 29.478 29.478 31.285 -1.807 19586 3121 1 5 . 1 1 76 76 MET H H 76 7.794 7.794 8.043 -0.248 19586 3122 1 5 . 1 1 77 77 LYS N N 77 119.902 119.902 122.681 -2.779 19586 3123 1 5 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.399 -0.247 19586 3124 1 5 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.796 -1.513 19586 3125 1 5 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.194 -0.716 19586 3126 1 5 . 1 1 77 77 LYS H H 77 7.622 7.622 7.603 0.019 19586 3127 1 5 . 1 1 78 78 ASP N N 78 119.146 119.146 118.714 0.432 19586 3128 1 5 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.398 -0.155 19586 3129 1 5 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.934 -2.873 19586 3130 1 5 . 1 1 78 78 ASP H H 78 7.991 7.991 7.881 0.110 19586 3131 1 5 . 1 1 79 79 THR N N 79 112.750 112.750 114.326 -1.576 19586 3132 1 5 . 1 1 79 79 THR HA H 79 4.170 4.170 4.330 -0.160 19586 3133 1 5 . 1 1 79 79 THR CA C 79 59.030 59.030 61.189 -2.159 19586 3134 1 5 . 1 1 79 79 THR CB C 79 67.668 67.668 69.753 -2.085 19586 3135 1 5 . 1 1 79 79 THR H H 79 7.587 7.587 7.962 -0.375 19586 3136 1 5 . 1 1 80 80 ASP N N 80 122.888 122.888 121.858 1.030 19586 3137 1 5 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.741 -0.370 19586 3138 1 5 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.430 -3.580 19586 3139 1 5 . 1 1 80 80 ASP CB C 80 37.353 37.353 41.751 -4.397 19586 3140 1 5 . 1 1 80 80 ASP H H 80 8.354 8.354 8.433 -0.079 19586 3141 1 5 . 1 1 81 81 SER N N 81 117.571 117.571 115.010 2.561 19586 3142 1 5 . 1 1 81 81 SER HA H 81 4.115 4.115 4.262 -0.147 19586 3143 1 5 . 1 1 81 81 SER CA C 81 57.717 57.717 61.023 -3.306 19586 3144 1 5 . 1 1 81 81 SER CB C 81 60.884 60.884 63.465 -2.581 19586 3145 1 5 . 1 1 81 81 SER H H 81 8.232 8.232 8.492 -0.260 19586 3146 1 5 . 1 1 82 82 GLU N N 82 121.860 121.860 120.209 1.651 19586 3147 1 5 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.128 -0.245 19586 3148 1 5 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.315 -2.608 19586 3149 1 5 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.349 0.243 19586 3150 1 5 . 1 1 82 82 GLU H H 82 8.364 8.364 8.767 -0.403 19586 3151 1 5 . 1 1 83 83 GLU N N 83 119.398 119.398 117.360 2.038 19586 3152 1 5 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.138 -0.255 19586 3153 1 5 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.546 -2.940 19586 3154 1 5 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.075 0.289 19586 3155 1 5 . 1 1 83 83 GLU H H 83 8.032 8.032 8.887 -0.855 19586 3156 1 5 . 1 1 84 84 GLU N N 84 118.279 118.279 118.063 0.216 19586 3157 1 5 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.434 -0.563 19586 3158 1 5 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.279 -1.673 19586 3159 1 5 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.109 -3.292 19586 3160 1 5 . 1 1 84 84 GLU H H 84 8.153 8.153 7.692 0.461 19586 3161 1 5 . 1 1 85 85 ILE N N 85 120.970 120.970 121.163 -0.193 19586 3162 1 5 . 1 1 85 85 ILE HA H 85 3.612 3.612 4.004 -0.392 19586 3163 1 5 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.485 -1.046 19586 3164 1 5 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.470 -3.862 19586 3165 1 5 . 1 1 85 85 ILE H H 85 7.927 7.927 8.006 -0.079 19586 3166 1 5 . 1 1 86 86 ARG N N 86 121.766 121.766 118.791 2.975 19586 3167 1 5 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.136 -0.128 19586 3168 1 5 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.455 -1.940 19586 3169 1 5 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.229 -3.373 19586 3170 1 5 . 1 1 86 86 ARG H H 86 8.233 8.233 8.316 -0.083 19586 3171 1 5 . 1 1 87 87 GLU N N 87 118.369 118.369 118.720 -0.351 19586 3172 1 5 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.195 -0.293 19586 3173 1 5 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.090 -1.484 19586 3174 1 5 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.272 -3.455 19586 3175 1 5 . 1 1 87 87 GLU H H 87 8.156 8.156 7.762 0.394 19586 3176 1 5 . 1 1 88 88 ALA N N 88 120.337 120.337 120.138 0.199 19586 3177 1 5 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.395 -0.446 19586 3178 1 5 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.416 -0.153 19586 3179 1 5 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.954 -4.874 19586 3180 1 5 . 1 1 88 88 ALA H H 88 7.877 7.877 7.648 0.229 19586 3181 1 5 . 1 1 89 89 PHE N N 89 118.191 118.191 121.563 -3.372 19586 3182 1 5 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.308 -1.193 19586 3183 1 5 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.097 -1.394 19586 3184 1 5 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.758 -2.983 19586 3185 1 5 . 1 1 89 89 PHE H H 89 8.459 8.459 7.968 0.491 19586 3186 1 5 . 1 1 90 90 ARG N N 90 115.953 115.953 117.593 -1.640 19586 3187 1 5 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.465 -0.560 19586 3188 1 5 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.064 -0.896 19586 3189 1 5 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.419 -1.765 19586 3190 1 5 . 1 1 90 90 ARG H H 90 7.764 7.764 7.850 -0.086 19586 3191 1 5 . 1 1 91 91 VAL N N 91 118.202 118.202 118.045 0.157 19586 3192 1 5 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.761 -0.476 19586 3193 1 5 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.934 -1.577 19586 3194 1 5 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.695 -3.251 19586 3195 1 5 . 1 1 91 91 VAL H H 91 7.229 7.229 7.387 -0.158 19586 3196 1 5 . 1 1 92 92 PHE N N 92 112.447 112.447 118.258 -5.811 19586 3197 1 5 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.373 -0.428 19586 3198 1 5 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.361 -0.332 19586 3199 1 5 . 1 1 92 92 PHE CB C 92 38.838 38.838 39.956 -1.118 19586 3200 1 5 . 1 1 92 92 PHE H H 92 6.699 6.699 7.261 -0.562 19586 3201 1 5 . 1 1 93 93 ASP N N 93 116.461 116.461 117.545 -1.084 19586 3202 1 5 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.498 -0.022 19586 3203 1 5 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.368 -3.843 19586 3204 1 5 . 1 1 93 93 ASP CB C 93 35.183 35.183 41.224 -6.041 19586 3205 1 5 . 1 1 93 93 ASP H H 93 7.881 7.881 8.125 -0.244 19586 3206 1 5 . 1 1 94 94 LYS N N 94 125.494 125.494 122.281 3.213 19586 3207 1 5 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.001 -0.333 19586 3208 1 5 . 1 1 94 94 LYS CA C 94 55.976 55.976 59.530 -3.554 19586 3209 1 5 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.581 -1.167 19586 3210 1 5 . 1 1 94 94 LYS H H 94 7.596 7.596 8.660 -1.064 19586 3211 1 5 . 1 1 95 95 ASP N N 95 114.015 114.015 117.744 -3.729 19586 3212 1 5 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.666 -0.251 19586 3213 1 5 . 1 1 95 95 ASP CA C 95 50.307 50.307 55.423 -5.116 19586 3214 1 5 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.283 -5.509 19586 3215 1 5 . 1 1 95 95 ASP H H 95 8.097 8.097 7.943 0.154 19586 3216 1 5 . 1 1 96 96 GLY N N 96 109.147 109.147 107.518 1.629 19586 3217 1 5 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.120 -0.776 19586 3218 1 5 . 1 1 96 96 GLY H H 96 7.677 7.677 8.484 -0.807 19586 3219 1 5 . 1 1 97 97 ASN N N 97 119.575 119.575 120.972 -1.397 19586 3220 1 5 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.936 -0.436 19586 3221 1 5 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.753 -2.837 19586 3222 1 5 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.126 -3.943 19586 3223 1 5 . 1 1 97 97 ASN H H 97 8.252 8.252 8.106 0.146 19586 3224 1 5 . 1 1 98 98 GLY N N 98 112.465 112.465 107.628 4.837 19586 3225 1 5 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.941 -3.649 19586 3226 1 5 . 1 1 98 98 GLY H H 98 10.462 10.462 8.282 2.180 19586 3227 1 5 . 1 1 99 99 TYR N N 99 116.256 116.256 120.009 -3.753 19586 3228 1 5 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.919 -0.037 19586 3229 1 5 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.076 -2.494 19586 3230 1 5 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.376 -1.395 19586 3231 1 5 . 1 1 99 99 TYR H H 99 7.557 7.557 7.616 -0.059 19586 3232 1 5 . 1 1 100 100 ILE N N 100 126.957 126.957 121.004 5.953 19586 3233 1 5 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.207 0.250 19586 3234 1 5 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.551 -1.935 19586 3235 1 5 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.723 -3.291 19586 3236 1 5 . 1 1 100 100 ILE H H 100 9.972 9.972 8.958 1.014 19586 3237 1 5 . 1 1 101 101 SER N N 101 123.739 123.739 123.325 0.414 19586 3238 1 5 . 1 1 101 101 SER HA H 101 4.711 4.711 4.378 0.333 19586 3239 1 5 . 1 1 101 101 SER CA C 101 52.897 52.897 57.572 -4.675 19586 3240 1 5 . 1 1 101 101 SER CB C 101 64.134 64.134 65.203 -1.069 19586 3241 1 5 . 1 1 101 101 SER H H 101 8.844 8.844 8.471 0.373 19586 3242 1 5 . 1 1 102 102 ALA N N 102 123.028 123.028 125.563 -2.535 19586 3243 1 5 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.194 -0.483 19586 3244 1 5 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.694 -1.601 19586 3245 1 5 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.718 -3.603 19586 3246 1 5 . 1 1 102 102 ALA H H 102 9.178 9.178 8.585 0.593 19586 3247 1 5 . 1 1 103 103 ALA N N 103 118.443 118.443 118.560 -0.117 19586 3248 1 5 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.361 -0.500 19586 3249 1 5 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.917 -0.508 19586 3250 1 5 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.921 -2.465 19586 3251 1 5 . 1 1 103 103 ALA H H 103 8.132 8.132 8.343 -0.211 19586 3252 1 5 . 1 1 104 104 GLU N N 104 120.139 120.139 120.202 -0.063 19586 3253 1 5 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.125 -0.286 19586 3254 1 5 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.560 -2.997 19586 3255 1 5 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.547 -3.147 19586 3256 1 5 . 1 1 104 104 GLU H H 104 7.786 7.786 7.563 0.223 19586 3257 1 5 . 1 1 105 105 LEU N N 105 121.545 121.545 119.247 2.298 19586 3258 1 5 . 1 1 105 105 LEU HA H 105 3.902 3.902 4.080 -0.178 19586 3259 1 5 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.940 -2.208 19586 3260 1 5 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.750 -1.541 19586 3261 1 5 . 1 1 105 105 LEU H H 105 8.240 8.240 8.099 0.141 19586 3262 1 5 . 1 1 106 106 ARG N N 106 118.625 118.625 118.490 0.135 19586 3263 1 5 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.973 -0.134 19586 3264 1 5 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.945 -1.600 19586 3265 1 5 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.404 0.986 19586 3266 1 5 . 1 1 106 106 ARG H H 106 8.761 8.761 8.411 0.350 19586 3267 1 5 . 1 1 107 107 HIS N N 107 119.052 119.052 118.179 0.873 19586 3268 1 5 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.323 -0.421 19586 3269 1 5 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.626 -2.819 19586 3270 1 5 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.466 -3.268 19586 3271 1 5 . 1 1 107 107 HIS H H 107 7.946 7.946 7.393 0.553 19586 3272 1 5 . 1 1 108 108 VAL N N 108 119.160 119.160 120.046 -0.886 19586 3273 1 5 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.792 -0.350 19586 3274 1 5 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.883 -1.598 19586 3275 1 5 . 1 1 108 108 VAL CB C 108 28.908 28.908 32.051 -3.143 19586 3276 1 5 . 1 1 108 108 VAL H H 108 7.736 7.736 8.924 -1.188 19586 3277 1 5 . 1 1 109 109 MET N N 109 115.333 115.333 118.246 -2.913 19586 3278 1 5 . 1 1 109 109 MET HA H 109 4.139 4.139 4.117 0.022 19586 3279 1 5 . 1 1 109 109 MET CA C 109 54.686 54.686 57.564 -2.878 19586 3280 1 5 . 1 1 109 109 MET CB C 109 29.706 29.706 31.189 -1.483 19586 3281 1 5 . 1 1 109 109 MET H H 109 8.074 8.074 8.539 -0.465 19586 3282 1 5 . 1 1 110 110 THR N N 110 116.714 116.714 114.287 2.427 19586 3283 1 5 . 1 1 110 110 THR HA H 110 3.935 3.935 4.133 -0.198 19586 3284 1 5 . 1 1 110 110 THR CA C 110 63.845 63.845 66.073 -2.228 19586 3285 1 5 . 1 1 110 110 THR CB C 110 66.072 66.072 68.296 -2.224 19586 3286 1 5 . 1 1 110 110 THR H H 110 8.515 8.515 7.838 0.677 19586 3287 1 5 . 1 1 111 111 ASN N N 111 123.784 123.784 119.061 4.723 19586 3288 1 5 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.575 -0.333 19586 3289 1 5 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.261 -2.167 19586 3290 1 5 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.570 -3.278 19586 3291 1 5 . 1 1 111 111 ASN H H 111 7.890 7.890 7.740 0.150 19586 3292 1 5 . 1 1 112 112 LEU N N 112 118.227 118.227 117.826 0.401 19586 3293 1 5 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.300 -0.185 19586 3294 1 5 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.945 -2.292 19586 3295 1 5 . 1 1 112 112 LEU CB C 112 39.738 39.738 40.927 -1.189 19586 3296 1 5 . 1 1 112 112 LEU H H 112 7.621 7.621 7.220 0.401 19586 3297 1 5 . 1 1 113 113 GLY N N 113 106.787 106.787 105.623 1.164 19586 3298 1 5 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.998 -2.462 19586 3299 1 5 . 1 1 113 113 GLY H H 113 7.701 7.701 7.560 0.141 19586 3300 1 5 . 1 1 114 114 GLU N N 114 120.288 120.288 119.221 1.067 19586 3301 1 5 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.521 -0.279 19586 3302 1 5 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.774 -1.707 19586 3303 1 5 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.158 -3.542 19586 3304 1 5 . 1 1 114 114 GLU H H 114 7.864 7.864 7.718 0.146 19586 3305 1 5 . 1 1 115 115 LYS N N 115 124.987 124.987 126.176 -1.189 19586 3306 1 5 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.200 0.023 19586 3307 1 5 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.604 -3.756 19586 3308 1 5 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.268 -0.311 19586 3309 1 5 . 1 1 115 115 LYS H H 115 8.491 8.491 8.454 0.037 19586 3310 1 5 . 1 1 116 116 LEU N N 116 124.912 124.912 123.614 1.298 19586 3311 1 5 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.841 -0.129 19586 3312 1 5 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.913 -1.823 19586 3313 1 5 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.009 -0.421 19586 3314 1 5 . 1 1 116 116 LEU H H 116 7.978 7.978 7.717 0.261 19586 3315 1 5 . 1 1 117 117 THR N N 117 114.220 114.220 112.707 1.513 19586 3316 1 5 . 1 1 117 117 THR HA H 117 4.302 4.302 4.489 -0.187 19586 3317 1 5 . 1 1 117 117 THR CA C 117 57.834 57.834 61.191 -3.357 19586 3318 1 5 . 1 1 117 117 THR CB C 117 68.580 68.580 70.258 -1.678 19586 3319 1 5 . 1 1 117 117 THR H H 117 9.093 9.093 8.232 0.861 19586 3320 1 5 . 1 1 118 118 ASP N N 118 120.925 120.925 121.886 -0.961 19586 3321 1 5 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.268 -0.210 19586 3322 1 5 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.917 -2.675 19586 3323 1 5 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.906 -3.904 19586 3324 1 5 . 1 1 118 118 ASP H H 118 8.764 8.764 8.699 0.065 19586 3325 1 5 . 1 1 119 119 GLU N N 119 119.395 119.395 118.084 1.311 19586 3326 1 5 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.003 -0.076 19586 3327 1 5 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.158 -2.009 19586 3328 1 5 . 1 1 119 119 GLU CB C 119 25.931 25.931 29.002 -3.071 19586 3329 1 5 . 1 1 119 119 GLU H H 119 8.509 8.509 8.685 -0.176 19586 3330 1 5 . 1 1 120 120 GLU N N 120 119.909 119.909 118.763 1.146 19586 3331 1 5 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.162 -0.266 19586 3332 1 5 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.405 -2.086 19586 3333 1 5 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.654 -3.824 19586 3334 1 5 . 1 1 120 120 GLU H H 120 7.585 7.585 7.682 -0.097 19586 3335 1 5 . 1 1 121 121 VAL N N 121 122.092 122.092 115.912 6.180 19586 3336 1 5 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.930 -0.488 19586 3337 1 5 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.995 -0.905 19586 3338 1 5 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.838 -3.158 19586 3339 1 5 . 1 1 121 121 VAL H H 121 7.849 7.849 7.239 0.610 19586 3340 1 5 . 1 1 122 122 ASP N N 122 120.167 120.167 121.341 -1.174 19586 3341 1 5 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.253 -0.096 19586 3342 1 5 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.267 -3.366 19586 3343 1 5 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.872 -3.300 19586 3344 1 5 . 1 1 122 122 ASP H H 122 7.912 7.912 8.682 -0.770 19586 3345 1 5 . 1 1 123 123 GLU N N 123 119.087 119.087 118.309 0.778 19586 3346 1 5 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.105 -0.209 19586 3347 1 5 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.902 -2.290 19586 3348 1 5 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.586 -3.414 19586 3349 1 5 . 1 1 123 123 GLU H H 123 7.839 7.839 7.688 0.151 19586 3350 1 5 . 1 1 124 124 MET N N 124 118.897 118.897 117.836 1.061 19586 3351 1 5 . 1 1 124 124 MET HA H 124 3.867 3.867 4.228 -0.361 19586 3352 1 5 . 1 1 124 124 MET CA C 124 56.905 56.905 59.077 -2.172 19586 3353 1 5 . 1 1 124 124 MET CB C 124 29.250 29.250 33.165 -3.915 19586 3354 1 5 . 1 1 124 124 MET H H 124 7.433 7.433 7.395 0.038 19586 3355 1 5 . 1 1 125 125 ILE N N 125 118.001 118.001 114.873 3.128 19586 3356 1 5 . 1 1 125 125 ILE HA H 125 3.380 3.380 3.976 -0.596 19586 3357 1 5 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.601 -3.470 19586 3358 1 5 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.739 -4.499 19586 3359 1 5 . 1 1 125 125 ILE H H 125 7.658 7.658 8.383 -0.725 19586 3360 1 5 . 1 1 126 126 ARG N N 126 117.720 117.720 119.722 -2.002 19586 3361 1 5 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.037 -0.154 19586 3362 1 5 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.493 -2.820 19586 3363 1 5 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.155 -0.677 19586 3364 1 5 . 1 1 126 126 ARG H H 126 7.974 7.974 8.084 -0.110 19586 3365 1 5 . 1 1 127 127 GLU N N 127 117.050 117.050 116.903 0.147 19586 3366 1 5 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.210 -0.243 19586 3367 1 5 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.256 -1.937 19586 3368 1 5 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.740 -3.454 19586 3369 1 5 . 1 1 127 127 GLU H H 127 7.635 7.635 7.598 0.037 19586 3370 1 5 . 1 1 128 128 ALA N N 128 116.966 116.966 120.253 -3.287 19586 3371 1 5 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.323 0.177 19586 3372 1 5 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.431 -4.226 19586 3373 1 5 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.004 0.101 19586 3374 1 5 . 1 1 128 128 ALA H H 128 7.155 7.155 7.206 -0.051 19586 3375 1 5 . 1 1 129 129 ASP N N 129 118.033 118.033 119.301 -1.268 19586 3376 1 5 . 1 1 129 129 ASP HA H 129 4.351 4.351 5.238 -0.887 19586 3377 1 5 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.034 -1.212 19586 3378 1 5 . 1 1 129 129 ASP CB C 129 37.686 37.686 42.034 -4.348 19586 3379 1 5 . 1 1 129 129 ASP H H 129 7.806 7.806 7.536 0.270 19586 3380 1 5 . 1 1 130 130 ILE N N 130 127.927 127.927 122.215 5.712 19586 3381 1 5 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.150 -0.353 19586 3382 1 5 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.766 -2.244 19586 3383 1 5 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.275 -2.185 19586 3384 1 5 . 1 1 130 130 ILE H H 130 8.115 8.115 8.909 -0.794 19586 3385 1 5 . 1 1 131 131 ASP N N 131 116.634 116.634 119.479 -2.845 19586 3386 1 5 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.671 -0.328 19586 3387 1 5 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.956 -2.769 19586 3388 1 5 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.357 -3.889 19586 3389 1 5 . 1 1 131 131 ASP H H 131 8.202 8.202 7.947 0.255 19586 3390 1 5 . 1 1 132 132 GLY N N 132 108.586 108.586 109.153 -0.567 19586 3391 1 5 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.935 -1.297 19586 3392 1 5 . 1 1 132 132 GLY H H 132 7.535 7.535 7.470 0.065 19586 3393 1 5 . 1 1 133 133 ASP N N 133 120.377 120.377 120.096 0.281 19586 3394 1 5 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.588 -0.237 19586 3395 1 5 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.303 -3.361 19586 3396 1 5 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.278 -3.820 19586 3397 1 5 . 1 1 133 133 ASP H H 133 8.215 8.215 8.670 -0.455 19586 3398 1 5 . 1 1 134 134 GLY N N 134 112.226 112.226 106.080 6.146 19586 3399 1 5 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.449 -2.327 19586 3400 1 5 . 1 1 134 134 GLY H H 134 9.971 9.971 8.502 1.469 19586 3401 1 5 . 1 1 135 135 GLN N N 135 115.229 115.229 117.107 -1.878 19586 3402 1 5 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.828 -0.697 19586 3403 1 5 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.625 -4.171 19586 3404 1 5 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.038 -3.424 19586 3405 1 5 . 1 1 135 135 GLN H H 135 7.835 7.835 7.486 0.349 19586 3406 1 5 . 1 1 136 136 VAL N N 136 125.238 125.238 121.254 3.984 19586 3407 1 5 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.343 0.753 19586 3408 1 5 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.942 -2.229 19586 3409 1 5 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.871 -1.455 19586 3410 1 5 . 1 1 136 136 VAL H H 136 8.958 8.958 9.005 -0.047 19586 3411 1 5 . 1 1 137 137 ASN N N 137 129.058 129.058 125.904 3.154 19586 3412 1 5 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.196 0.030 19586 3413 1 5 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.589 -4.237 19586 3414 1 5 . 1 1 137 137 ASN CB C 137 35.640 35.640 40.779 -5.139 19586 3415 1 5 . 1 1 137 137 ASN H H 137 9.435 9.435 8.485 0.950 19586 3416 1 5 . 1 1 138 138 TYR N N 138 118.627 118.627 118.688 -0.061 19586 3417 1 5 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.574 -1.382 19586 3418 1 5 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.161 -0.492 19586 3419 1 5 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.423 0.149 19586 3420 1 5 . 1 1 138 138 TYR H H 138 8.146 8.146 7.923 0.223 19586 3421 1 5 . 1 1 139 139 GLU N N 139 118.701 118.701 119.936 -1.235 19586 3422 1 5 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.047 -0.536 19586 3423 1 5 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.251 -1.711 19586 3424 1 5 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.041 -2.767 19586 3425 1 5 . 1 1 139 139 GLU H H 139 7.974 7.974 7.283 0.691 19586 3426 1 5 . 1 1 140 140 GLU N N 140 119.774 119.774 119.165 0.609 19586 3427 1 5 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.072 -0.161 19586 3428 1 5 . 1 1 140 140 GLU CA C 140 56.025 56.025 59.011 -2.986 19586 3429 1 5 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.856 -3.582 19586 3430 1 5 . 1 1 140 140 GLU H H 140 8.676 8.676 8.159 0.517 19586 3431 1 5 . 1 1 141 141 PHE N N 141 124.074 124.074 120.006 4.068 19586 3432 1 5 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.189 -0.542 19586 3433 1 5 . 1 1 141 141 PHE CA C 141 59.447 59.447 61.050 -1.603 19586 3434 1 5 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.997 -1.311 19586 3435 1 5 . 1 1 141 141 PHE H H 141 8.507 8.507 7.652 0.855 19586 3436 1 5 . 1 1 142 142 VAL N N 142 119.203 119.203 116.764 2.439 19586 3437 1 5 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.133 -0.175 19586 3438 1 5 . 1 1 142 142 VAL CA C 142 64.432 64.432 64.874 -0.442 19586 3439 1 5 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.791 -1.883 19586 3440 1 5 . 1 1 142 142 VAL H H 142 8.639 8.639 7.385 1.254 19586 3441 1 5 . 1 1 143 143 GLN N N 143 120.173 120.173 120.169 0.004 19586 3442 1 5 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.997 -0.326 19586 3443 1 5 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.503 -1.989 19586 3444 1 5 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.642 -3.396 19586 3445 1 5 . 1 1 143 143 GLN H H 143 7.818 7.818 7.556 0.262 19586 3446 1 5 . 1 1 144 144 MET N N 144 118.573 118.573 117.651 0.922 19586 3447 1 5 . 1 1 144 144 MET HA H 144 3.882 3.882 4.317 -0.435 19586 3448 1 5 . 1 1 144 144 MET CA C 144 55.683 55.683 57.511 -1.829 19586 3449 1 5 . 1 1 144 144 MET CB C 144 28.110 28.110 32.782 -4.672 19586 3450 1 5 . 1 1 144 144 MET H H 144 7.403 7.403 7.841 -0.438 19586 3451 1 5 . 1 1 145 145 MET N N 145 114.053 114.053 117.059 -3.006 19586 3452 1 5 . 1 1 145 145 MET HA H 145 3.940 3.940 4.339 -0.399 19586 3453 1 5 . 1 1 145 145 MET CA C 145 53.630 53.630 57.931 -4.301 19586 3454 1 5 . 1 1 145 145 MET CB C 145 29.592 29.592 32.547 -2.955 19586 3455 1 5 . 1 1 145 145 MET H H 145 7.534 7.534 7.304 0.230 19586 3456 1 5 . 1 1 146 146 THR N N 146 109.275 109.275 114.138 -4.863 19586 3457 1 5 . 1 1 146 146 THR HA H 146 4.175 4.175 4.196 -0.021 19586 3458 1 5 . 1 1 146 146 THR CA C 146 59.251 59.251 63.868 -4.617 19586 3459 1 5 . 1 1 146 146 THR CB C 146 67.896 67.896 69.129 -1.233 19586 3460 1 5 . 1 1 146 146 THR H H 146 7.554 7.554 7.822 -0.268 19586 3461 1 5 . 1 1 147 147 ALA N N 147 126.913 126.913 123.500 3.413 19586 3462 1 5 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.897 -0.780 19586 3463 1 5 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.112 -0.805 19586 3464 1 5 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.580 -4.244 19586 3465 1 5 . 1 1 147 147 ALA H H 147 7.406 7.406 7.355 0.051 19586 3466 1 6 . 1 1 2 2 ASP N N 2 120.378 120.378 120.439 -0.061 19586 3467 1 6 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.485 0.100 19586 3468 1 6 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.575 -2.615 19586 3469 1 6 . 1 1 2 2 ASP H H 2 8.506 8.506 8.486 0.020 19586 3470 1 6 . 1 1 3 3 GLN N N 3 119.707 119.707 120.411 -0.704 19586 3471 1 6 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.650 -0.438 19586 3472 1 6 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.289 -2.554 19586 3473 1 6 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.034 0.040 19586 3474 1 6 . 1 1 3 3 GLN H H 3 8.208 8.208 8.434 -0.226 19586 3475 1 6 . 1 1 4 4 LEU N N 4 123.069 123.069 122.536 0.533 19586 3476 1 6 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.508 -0.368 19586 3477 1 6 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.445 -3.787 19586 3478 1 6 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.506 -2.882 19586 3479 1 6 . 1 1 4 4 LEU H H 4 8.181 8.181 8.620 -0.439 19586 3480 1 6 . 1 1 5 5 THR N N 5 112.909 112.909 110.920 1.989 19586 3481 1 6 . 1 1 5 5 THR HA H 5 4.322 4.322 4.803 -0.481 19586 3482 1 6 . 1 1 5 5 THR CA C 5 57.687 57.687 63.208 -5.521 19586 3483 1 6 . 1 1 5 5 THR CB C 5 68.580 68.580 69.148 -0.568 19586 3484 1 6 . 1 1 5 5 THR H H 5 8.607 8.607 7.822 0.785 19586 3485 1 6 . 1 1 6 6 GLU N N 6 120.224 120.224 121.072 -0.848 19586 3486 1 6 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.164 -0.339 19586 3487 1 6 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.635 -2.388 19586 3488 1 6 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.267 -0.131 19586 3489 1 6 . 1 1 6 6 GLU H H 6 8.877 8.877 8.805 0.072 19586 3490 1 6 . 1 1 7 7 GLU N N 7 119.350 119.350 117.606 1.744 19586 3491 1 6 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.110 -0.193 19586 3492 1 6 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.583 -1.385 19586 3493 1 6 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.367 -3.093 19586 3494 1 6 . 1 1 7 7 GLU H H 7 8.524 8.524 8.310 0.213 19586 3495 1 6 . 1 1 8 8 GLN N N 8 119.917 119.917 116.740 3.177 19586 3496 1 6 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.199 -0.296 19586 3497 1 6 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.659 -2.683 19586 3498 1 6 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.771 -3.371 19586 3499 1 6 . 1 1 8 8 GLN H H 8 7.603 7.603 7.497 0.106 19586 3500 1 6 . 1 1 9 9 ILE N N 9 119.503 119.503 110.935 8.568 19586 3501 1 6 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.582 -0.943 19586 3502 1 6 . 1 1 9 9 ILE CA C 9 63.796 63.796 60.552 3.244 19586 3503 1 6 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.518 -3.340 19586 3504 1 6 . 1 1 9 9 ILE H H 9 8.260 8.260 7.454 0.806 19586 3505 1 6 . 1 1 10 10 ALA N N 10 121.044 121.044 124.687 -3.643 19586 3506 1 6 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.238 -0.277 19586 3507 1 6 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.510 -1.808 19586 3508 1 6 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.863 -3.749 19586 3509 1 6 . 1 1 10 10 ALA H H 10 7.840 7.840 7.774 0.066 19586 3510 1 6 . 1 1 11 11 GLU N N 11 119.113 119.113 118.454 0.659 19586 3511 1 6 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.318 -0.410 19586 3512 1 6 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.329 -0.766 19586 3513 1 6 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.468 -3.068 19586 3514 1 6 . 1 1 11 11 GLU H H 11 7.635 7.635 8.295 -0.660 19586 3515 1 6 . 1 1 12 12 PHE N N 12 119.574 119.574 119.833 -0.259 19586 3516 1 6 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.299 0.487 19586 3517 1 6 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.108 -4.154 19586 3518 1 6 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.514 -4.449 19586 3519 1 6 . 1 1 12 12 PHE H H 12 8.441 8.441 7.575 0.866 19586 3520 1 6 . 1 1 13 13 LYS N N 13 123.454 123.454 118.812 4.642 19586 3521 1 6 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.193 -0.290 19586 3522 1 6 . 1 1 13 13 LYS CA C 13 57.296 57.296 57.463 -0.167 19586 3523 1 6 . 1 1 13 13 LYS CB C 13 29.592 29.592 31.901 -2.309 19586 3524 1 6 . 1 1 13 13 LYS H H 13 9.103 9.103 7.885 1.218 19586 3525 1 6 . 1 1 14 14 GLU N N 14 119.525 119.525 116.501 3.024 19586 3526 1 6 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.395 -0.484 19586 3527 1 6 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.718 -1.253 19586 3528 1 6 . 1 1 14 14 GLU CB C 14 26.502 26.502 29.924 -3.422 19586 3529 1 6 . 1 1 14 14 GLU H H 14 7.667 7.667 8.271 -0.604 19586 3530 1 6 . 1 1 15 15 ALA N N 15 121.983 121.983 122.525 -0.542 19586 3531 1 6 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.300 -0.339 19586 3532 1 6 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.268 -1.517 19586 3533 1 6 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.308 -3.080 19586 3534 1 6 . 1 1 15 15 ALA H H 15 7.816 7.816 7.322 0.494 19586 3535 1 6 . 1 1 16 16 PHE N N 16 118.874 118.874 119.332 -0.458 19586 3536 1 6 . 1 1 16 16 PHE HA H 16 3.095 3.095 3.965 -0.870 19586 3537 1 6 . 1 1 16 16 PHE CA C 16 59.544 59.544 61.369 -1.825 19586 3538 1 6 . 1 1 16 16 PHE CB C 16 36.774 36.774 38.955 -2.180 19586 3539 1 6 . 1 1 16 16 PHE H H 16 8.764 8.764 7.877 0.887 19586 3540 1 6 . 1 1 17 17 SER N N 17 111.578 111.578 113.569 -1.991 19586 3541 1 6 . 1 1 17 17 SER HA H 17 3.979 3.979 4.226 -0.247 19586 3542 1 6 . 1 1 17 17 SER CA C 17 58.567 58.567 60.544 -1.977 19586 3543 1 6 . 1 1 17 17 SER CB C 17 60.600 60.600 63.050 -2.450 19586 3544 1 6 . 1 1 17 17 SER H H 17 7.825 7.825 7.864 -0.039 19586 3545 1 6 . 1 1 18 18 LEU N N 18 121.167 121.167 120.955 0.212 19586 3546 1 6 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.986 -0.039 19586 3547 1 6 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.090 -2.482 19586 3548 1 6 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.260 -2.622 19586 3549 1 6 . 1 1 18 18 LEU H H 18 7.240 7.240 7.360 -0.120 19586 3550 1 6 . 1 1 19 19 PHE N N 19 114.405 114.405 115.753 -1.348 19586 3551 1 6 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.543 -0.632 19586 3552 1 6 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.399 -2.152 19586 3553 1 6 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.917 -6.107 19586 3554 1 6 . 1 1 19 19 PHE H H 19 7.090 7.090 7.840 -0.750 19586 3555 1 6 . 1 1 20 20 ASP N N 20 115.823 115.823 119.793 -3.970 19586 3556 1 6 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.546 -0.070 19586 3557 1 6 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.865 -5.389 19586 3558 1 6 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.188 -2.406 19586 3559 1 6 . 1 1 20 20 ASP H H 20 7.662 7.662 7.710 -0.048 19586 3560 1 6 . 1 1 21 21 LYS N N 21 124.906 124.906 123.433 1.473 19586 3561 1 6 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.114 -0.328 19586 3562 1 6 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.992 -1.966 19586 3563 1 6 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.322 -2.622 19586 3564 1 6 . 1 1 21 21 LYS H H 21 7.539 7.539 8.068 -0.529 19586 3565 1 6 . 1 1 22 22 ASP N N 22 113.550 113.550 117.968 -4.418 19586 3566 1 6 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.648 -0.217 19586 3567 1 6 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.319 -5.354 19586 3568 1 6 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.612 -4.838 19586 3569 1 6 . 1 1 22 22 ASP H H 22 7.965 7.965 7.659 0.306 19586 3570 1 6 . 1 1 23 23 GLY N N 23 109.354 109.354 107.876 1.478 19586 3571 1 6 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.890 -1.448 19586 3572 1 6 . 1 1 23 23 GLY H H 23 7.606 7.606 8.600 -0.994 19586 3573 1 6 . 1 1 24 24 ASP N N 24 120.643 120.643 120.146 0.497 19586 3574 1 6 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.662 -0.307 19586 3575 1 6 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.062 -3.022 19586 3576 1 6 . 1 1 24 24 ASP CB C 24 37.686 37.686 40.975 -3.289 19586 3577 1 6 . 1 1 24 24 ASP H H 24 8.266 8.266 8.345 -0.079 19586 3578 1 6 . 1 1 25 25 GLY N N 25 113.205 113.205 106.775 6.430 19586 3579 1 6 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.263 -2.580 19586 3580 1 6 . 1 1 25 25 GLY H H 25 10.545 10.545 8.393 2.152 19586 3581 1 6 . 1 1 26 26 THR N N 26 112.852 112.852 109.088 3.764 19586 3582 1 6 . 1 1 26 26 THR HA H 26 5.170 5.170 5.856 -0.686 19586 3583 1 6 . 1 1 26 26 THR CA C 26 56.954 56.954 59.944 -2.990 19586 3584 1 6 . 1 1 26 26 THR CB C 26 69.948 69.948 72.052 -2.104 19586 3585 1 6 . 1 1 26 26 THR H H 26 8.020 8.020 7.539 0.481 19586 3586 1 6 . 1 1 27 27 ILE N N 27 127.005 127.005 118.790 8.215 19586 3587 1 6 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.534 -0.707 19586 3588 1 6 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.109 -1.178 19586 3589 1 6 . 1 1 27 27 ILE CB C 27 37.230 37.230 41.080 -3.850 19586 3590 1 6 . 1 1 27 27 ILE H H 27 9.689 9.689 7.921 1.768 19586 3591 1 6 . 1 1 28 28 THR N N 28 116.439 116.439 116.015 0.424 19586 3592 1 6 . 1 1 28 28 THR HA H 28 4.642 4.642 4.411 0.231 19586 3593 1 6 . 1 1 28 28 THR CA C 28 56.612 56.612 62.723 -6.111 19586 3594 1 6 . 1 1 28 28 THR CB C 28 69.606 69.606 69.632 -0.026 19586 3595 1 6 . 1 1 28 28 THR H H 28 8.275 8.275 8.738 -0.463 19586 3596 1 6 . 1 1 29 29 THR N N 29 113.287 113.287 117.263 -3.976 19586 3597 1 6 . 1 1 29 29 THR HA H 29 3.635 3.635 4.133 -0.498 19586 3598 1 6 . 1 1 29 29 THR CA C 29 63.845 63.845 64.760 -0.915 19586 3599 1 6 . 1 1 29 29 THR CB C 29 65.616 65.616 68.672 -3.056 19586 3600 1 6 . 1 1 29 29 THR H H 29 9.054 9.054 8.616 0.438 19586 3601 1 6 . 1 1 30 30 LYS N N 30 121.230 121.230 118.712 2.518 19586 3602 1 6 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.122 -0.219 19586 3603 1 6 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.283 -1.818 19586 3604 1 6 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.012 -2.312 19586 3605 1 6 . 1 1 30 30 LYS H H 30 7.578 7.578 8.242 -0.664 19586 3606 1 6 . 1 1 31 31 GLU N N 31 122.002 122.002 118.187 3.815 19586 3607 1 6 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.206 -0.343 19586 3608 1 6 . 1 1 31 31 GLU CA C 31 57.149 57.149 58.587 -1.438 19586 3609 1 6 . 1 1 31 31 GLU CB C 31 26.058 26.058 30.059 -4.001 19586 3610 1 6 . 1 1 31 31 GLU H H 31 7.712 7.712 7.375 0.337 19586 3611 1 6 . 1 1 32 32 LEU N N 32 119.130 119.130 118.487 0.643 19586 3612 1 6 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.249 -0.324 19586 3613 1 6 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.756 -1.227 19586 3614 1 6 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.495 -1.514 19586 3615 1 6 . 1 1 32 32 LEU H H 32 8.509 8.509 7.688 0.821 19586 3616 1 6 . 1 1 33 33 GLY N N 33 103.747 103.747 105.698 -1.951 19586 3617 1 6 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.043 -0.379 19586 3618 1 6 . 1 1 33 33 GLY H H 33 8.388 8.388 7.656 0.732 19586 3619 1 6 . 1 1 34 34 THR N N 34 117.487 117.487 115.798 1.689 19586 3620 1 6 . 1 1 34 34 THR HA H 34 3.795 3.795 4.254 -0.459 19586 3621 1 6 . 1 1 34 34 THR CA C 34 64.285 64.285 62.314 1.971 19586 3622 1 6 . 1 1 34 34 THR CB C 34 66.186 66.186 67.981 -1.795 19586 3623 1 6 . 1 1 34 34 THR H H 34 7.935 7.935 7.418 0.517 19586 3624 1 6 . 1 1 35 35 VAL N N 35 120.287 120.287 119.456 0.831 19586 3625 1 6 . 1 1 35 35 VAL H H 35 7.089 7.089 7.562 -0.473 19586 3626 1 6 . 1 1 36 36 MET N N 36 117.816 117.816 115.999 1.817 19586 3627 1 6 . 1 1 36 36 MET HA H 36 3.911 3.911 4.210 -0.299 19586 3628 1 6 . 1 1 36 36 MET CA C 36 57.101 57.101 58.302 -1.201 19586 3629 1 6 . 1 1 36 36 MET CB C 36 29.929 29.929 32.896 -2.967 19586 3630 1 6 . 1 1 36 36 MET H H 36 8.318 8.318 7.419 0.899 19586 3631 1 6 . 1 1 37 37 ARG N N 37 117.706 117.706 118.251 -0.545 19586 3632 1 6 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.170 0.528 19586 3633 1 6 . 1 1 37 37 ARG CA C 37 56.172 56.172 57.492 -1.320 19586 3634 1 6 . 1 1 37 37 ARG CB C 37 27.084 27.084 30.751 -3.667 19586 3635 1 6 . 1 1 37 37 ARG H H 37 8.233 8.233 8.291 -0.058 19586 3636 1 6 . 1 1 38 38 SER N N 38 118.974 118.974 111.659 7.315 19586 3637 1 6 . 1 1 38 38 SER HA H 38 4.187 4.187 4.078 0.109 19586 3638 1 6 . 1 1 38 38 SER CA C 38 59.251 59.251 60.062 -0.811 19586 3639 1 6 . 1 1 38 38 SER CB C 38 67.782 67.782 62.061 5.721 19586 3640 1 6 . 1 1 38 38 SER H H 38 7.874 7.874 8.926 -1.052 19586 3641 1 6 . 1 1 39 39 LEU N N 39 118.835 118.835 123.347 -4.512 19586 3642 1 6 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.457 -0.318 19586 3643 1 6 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.122 -3.789 19586 3644 1 6 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.214 -2.576 19586 3645 1 6 . 1 1 39 39 LEU H H 39 7.248 7.248 7.297 -0.049 19586 3646 1 6 . 1 1 40 40 GLY N N 40 104.990 104.990 106.980 -1.990 19586 3647 1 6 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.739 -2.861 19586 3648 1 6 . 1 1 40 40 GLY H H 40 7.471 7.471 8.408 -0.937 19586 3649 1 6 . 1 1 41 41 GLN N N 41 118.032 118.032 118.337 -0.305 19586 3650 1 6 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.596 -0.226 19586 3651 1 6 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.627 -3.440 19586 3652 1 6 . 1 1 41 41 GLN CB C 41 30.618 30.618 30.936 -0.318 19586 3653 1 6 . 1 1 41 41 GLN H H 41 7.860 7.860 8.103 -0.243 19586 3654 1 6 . 1 1 42 42 ASN N N 42 115.671 115.671 116.844 -1.173 19586 3655 1 6 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.129 -0.035 19586 3656 1 6 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.777 -2.083 19586 3657 1 6 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.600 -3.046 19586 3658 1 6 . 1 1 42 42 ASN H H 42 8.561 8.561 8.347 0.214 19586 3659 1 6 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.610 0.101 19586 3660 1 6 . 1 1 44 44 THR N N 44 113.509 113.509 118.019 -4.510 19586 3661 1 6 . 1 1 44 44 THR HA H 44 4.321 4.321 4.593 -0.272 19586 3662 1 6 . 1 1 44 44 THR CA C 44 57.638 57.638 61.060 -3.422 19586 3663 1 6 . 1 1 44 44 THR CB C 44 68.466 68.466 68.841 -0.375 19586 3664 1 6 . 1 1 44 44 THR H H 44 8.882 8.882 8.125 0.757 19586 3665 1 6 . 1 1 45 45 GLU N N 45 120.506 120.506 127.400 -6.894 19586 3666 1 6 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.998 -0.118 19586 3667 1 6 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.393 -2.292 19586 3668 1 6 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.465 -3.191 19586 3669 1 6 . 1 1 45 45 GLU H H 45 8.662 8.662 8.619 0.043 19586 3670 1 6 . 1 1 46 46 ALA N N 46 120.586 120.586 119.399 1.187 19586 3671 1 6 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.129 -0.204 19586 3672 1 6 . 1 1 46 46 ALA CA C 46 52.311 52.311 53.950 -1.639 19586 3673 1 6 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.300 -3.220 19586 3674 1 6 . 1 1 46 46 ALA H H 46 8.139 8.139 8.414 -0.275 19586 3675 1 6 . 1 1 47 47 GLU N N 47 118.171 118.171 118.392 -0.221 19586 3676 1 6 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.107 -0.231 19586 3677 1 6 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.781 -2.511 19586 3678 1 6 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.769 -3.483 19586 3679 1 6 . 1 1 47 47 GLU H H 47 7.597 7.597 7.419 0.178 19586 3680 1 6 . 1 1 48 48 LEU N N 48 120.228 120.228 116.018 4.210 19586 3681 1 6 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.131 -0.204 19586 3682 1 6 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.667 -2.619 19586 3683 1 6 . 1 1 48 48 LEU CB C 48 39.981 39.981 39.693 0.288 19586 3684 1 6 . 1 1 48 48 LEU H H 48 7.848 7.848 7.509 0.339 19586 3685 1 6 . 1 1 49 49 GLN N N 49 117.910 117.910 119.704 -1.794 19586 3686 1 6 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.049 -0.148 19586 3687 1 6 . 1 1 49 49 GLN CA C 49 55.732 55.732 59.038 -3.307 19586 3688 1 6 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.696 -0.814 19586 3689 1 6 . 1 1 49 49 GLN H H 49 8.037 8.037 8.314 -0.277 19586 3690 1 6 . 1 1 50 50 ASP N N 50 119.284 119.284 119.697 -0.413 19586 3691 1 6 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.465 -0.308 19586 3692 1 6 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.760 -2.054 19586 3693 1 6 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.736 -3.164 19586 3694 1 6 . 1 1 50 50 ASP H H 50 8.010 8.010 7.802 0.208 19586 3695 1 6 . 1 1 51 51 MET N N 51 119.245 119.245 117.543 1.702 19586 3696 1 6 . 1 1 51 51 MET HA H 51 3.923 3.923 4.500 -0.577 19586 3697 1 6 . 1 1 51 51 MET CA C 51 56.563 56.563 56.350 0.213 19586 3698 1 6 . 1 1 51 51 MET CB C 51 29.478 29.478 33.608 -4.130 19586 3699 1 6 . 1 1 51 51 MET H H 51 7.614 7.614 7.608 0.006 19586 3700 1 6 . 1 1 52 52 ILE N N 52 117.584 117.584 121.838 -4.254 19586 3701 1 6 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.547 -0.219 19586 3702 1 6 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.865 -3.975 19586 3703 1 6 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.721 -3.227 19586 3704 1 6 . 1 1 52 52 ILE H H 52 7.514 7.514 8.865 -1.351 19586 3705 1 6 . 1 1 53 53 ASN N N 53 117.126 117.126 117.319 -0.193 19586 3706 1 6 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.562 -0.340 19586 3707 1 6 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.366 -3.273 19586 3708 1 6 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.556 -3.264 19586 3709 1 6 . 1 1 53 53 ASN H H 53 8.418 8.418 7.789 0.629 19586 3710 1 6 . 1 1 54 54 GLU N N 54 116.380 116.380 115.974 0.406 19586 3711 1 6 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.276 -0.373 19586 3712 1 6 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.205 -2.082 19586 3713 1 6 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.468 -4.068 19586 3714 1 6 . 1 1 54 54 GLU H H 54 7.466 7.466 8.208 -0.742 19586 3715 1 6 . 1 1 55 55 VAL N N 55 108.622 108.622 111.896 -3.274 19586 3716 1 6 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.172 0.142 19586 3717 1 6 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.414 -4.238 19586 3718 1 6 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.037 -1.875 19586 3719 1 6 . 1 1 55 55 VAL H H 55 7.044 7.044 7.745 -0.701 19586 3720 1 6 . 1 1 56 56 ASP N N 56 121.430 121.430 120.928 0.502 19586 3721 1 6 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.633 -0.243 19586 3722 1 6 . 1 1 56 56 ASP CA C 56 50.991 50.991 51.965 -0.974 19586 3723 1 6 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.419 -1.524 19586 3724 1 6 . 1 1 56 56 ASP H H 56 7.561 7.561 8.531 -0.970 19586 3725 1 6 . 1 1 57 57 ALA N N 57 131.840 131.840 123.868 7.972 19586 3726 1 6 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.115 -0.062 19586 3727 1 6 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.606 -3.126 19586 3728 1 6 . 1 1 57 57 ALA CB C 57 16.793 16.793 18.920 -2.127 19586 3729 1 6 . 1 1 57 57 ALA H H 57 8.357 8.357 7.801 0.556 19586 3730 1 6 . 1 1 58 58 ASP N N 58 113.565 113.565 116.709 -3.144 19586 3731 1 6 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.715 -0.225 19586 3732 1 6 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.235 -3.319 19586 3733 1 6 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.509 -4.735 19586 3734 1 6 . 1 1 58 58 ASP H H 58 7.985 7.985 8.320 -0.335 19586 3735 1 6 . 1 1 59 59 GLY N N 59 108.187 108.187 109.543 -1.356 19586 3736 1 6 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.211 -1.720 19586 3737 1 6 . 1 1 59 59 GLY H H 59 7.424 7.424 7.823 -0.399 19586 3738 1 6 . 1 1 60 60 ASN N N 60 118.065 118.065 121.519 -3.454 19586 3739 1 6 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.698 -0.252 19586 3740 1 6 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.062 -3.293 19586 3741 1 6 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.292 -2.738 19586 3742 1 6 . 1 1 60 60 ASN H H 60 7.919 7.919 8.618 -0.699 19586 3743 1 6 . 1 1 61 61 GLY N N 61 113.247 113.247 107.252 5.995 19586 3744 1 6 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.158 -3.280 19586 3745 1 6 . 1 1 61 61 GLY H H 61 10.485 10.485 8.586 1.899 19586 3746 1 6 . 1 1 62 62 THR N N 62 108.699 108.699 113.243 -4.544 19586 3747 1 6 . 1 1 62 62 THR HA H 62 4.580 4.580 4.460 0.120 19586 3748 1 6 . 1 1 62 62 THR CA C 62 56.661 56.661 60.613 -3.952 19586 3749 1 6 . 1 1 62 62 THR H H 62 7.511 7.511 7.300 0.211 19586 3750 1 6 . 1 1 63 63 ILE N N 63 122.834 122.834 120.866 1.968 19586 3751 1 6 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.452 0.602 19586 3752 1 6 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.315 -2.214 19586 3753 1 6 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.692 -4.348 19586 3754 1 6 . 1 1 63 63 ILE H H 63 8.741 8.741 8.062 0.679 19586 3755 1 6 . 1 1 64 64 ASP N N 64 127.818 127.818 126.024 1.794 19586 3756 1 6 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.291 -0.053 19586 3757 1 6 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.495 -3.117 19586 3758 1 6 . 1 1 64 64 ASP CB C 64 36.782 36.782 42.700 -5.918 19586 3759 1 6 . 1 1 64 64 ASP H H 64 8.702 8.702 8.708 -0.006 19586 3760 1 6 . 1 1 65 65 PHE N N 65 118.653 118.653 127.207 -8.554 19586 3761 1 6 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.299 -0.438 19586 3762 1 6 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.529 -2.812 19586 3763 1 6 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.320 -4.194 19586 3764 1 6 . 1 1 65 65 PHE H H 65 8.847 8.847 8.936 -0.089 19586 3765 1 6 . 1 1 67 67 GLU N N 67 117.631 117.631 116.099 1.532 19586 3766 1 6 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.365 -0.462 19586 3767 1 6 . 1 1 67 67 GLU CA C 67 56.337 56.337 56.852 -0.515 19586 3768 1 6 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.912 -2.867 19586 3769 1 6 . 1 1 67 67 GLU H H 67 7.940 7.940 8.012 -0.072 19586 3770 1 6 . 1 1 68 68 PHE N N 68 123.289 123.289 121.577 1.712 19586 3771 1 6 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.187 -0.347 19586 3772 1 6 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.636 -2.909 19586 3773 1 6 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.107 -1.535 19586 3774 1 6 . 1 1 68 68 PHE H H 68 8.757 8.757 7.939 0.818 19586 3775 1 6 . 1 1 69 69 LEU N N 69 118.867 118.867 116.964 1.903 19586 3776 1 6 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.165 -0.920 19586 3777 1 6 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.982 -1.824 19586 3778 1 6 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.441 -3.185 19586 3779 1 6 . 1 1 69 69 LEU H H 69 8.403 8.403 8.124 0.279 19586 3780 1 6 . 1 1 70 70 THR N N 70 116.302 116.302 112.897 3.405 19586 3781 1 6 . 1 1 70 70 THR HA H 70 3.624 3.624 4.052 -0.428 19586 3782 1 6 . 1 1 70 70 THR CA C 70 63.843 63.843 65.596 -1.753 19586 3783 1 6 . 1 1 70 70 THR CB C 70 65.502 65.502 68.617 -3.115 19586 3784 1 6 . 1 1 70 70 THR H H 70 7.540 7.540 7.530 0.010 19586 3785 1 6 . 1 1 71 71 MET N N 71 121.710 121.710 118.924 2.786 19586 3786 1 6 . 1 1 71 71 MET HA H 71 3.903 3.903 4.365 -0.462 19586 3787 1 6 . 1 1 71 71 MET CA C 71 56.303 56.303 58.269 -1.966 19586 3788 1 6 . 1 1 71 71 MET CB C 71 29.706 29.706 32.086 -2.380 19586 3789 1 6 . 1 1 71 71 MET H H 71 7.723 7.723 7.298 0.425 19586 3790 1 6 . 1 1 72 72 MET N N 72 116.535 116.535 118.944 -2.409 19586 3791 1 6 . 1 1 72 72 MET HA H 72 3.773 3.773 4.299 -0.526 19586 3792 1 6 . 1 1 72 72 MET CA C 72 53.307 53.307 57.204 -3.897 19586 3793 1 6 . 1 1 72 72 MET CB C 72 28.787 28.787 32.661 -3.874 19586 3794 1 6 . 1 1 72 72 MET H H 72 7.982 7.982 7.627 0.355 19586 3795 1 6 . 1 1 73 73 ALA N N 73 121.584 121.584 122.304 -0.720 19586 3796 1 6 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.076 -0.196 19586 3797 1 6 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.544 -2.449 19586 3798 1 6 . 1 1 73 73 ALA CB C 73 15.342 15.342 17.998 -2.656 19586 3799 1 6 . 1 1 73 73 ALA H H 73 8.074 8.074 7.586 0.488 19586 3800 1 6 . 1 1 74 74 ARG N N 74 115.784 115.784 117.722 -1.938 19586 3801 1 6 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.151 -0.248 19586 3802 1 6 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.204 -2.473 19586 3803 1 6 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.247 -2.260 19586 3804 1 6 . 1 1 74 74 ARG H H 74 7.358 7.358 7.929 -0.571 19586 3805 1 6 . 1 1 75 75 LYS N N 75 117.245 117.245 116.967 0.278 19586 3806 1 6 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.329 -0.380 19586 3807 1 6 . 1 1 75 75 LYS CA C 75 53.947 53.947 56.911 -2.964 19586 3808 1 6 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.522 -6.122 19586 3809 1 6 . 1 1 75 75 LYS H H 75 7.640 7.640 8.021 -0.381 19586 3810 1 6 . 1 1 76 76 MET N N 76 117.971 117.971 119.630 -1.659 19586 3811 1 6 . 1 1 76 76 MET HA H 76 4.242 4.242 4.383 -0.141 19586 3812 1 6 . 1 1 76 76 MET CA C 76 53.947 53.947 55.065 -1.117 19586 3813 1 6 . 1 1 76 76 MET CB C 76 29.478 29.478 31.424 -1.946 19586 3814 1 6 . 1 1 76 76 MET H H 76 7.794 7.794 7.682 0.112 19586 3815 1 6 . 1 1 77 77 LYS N N 77 119.902 119.902 121.821 -1.919 19586 3816 1 6 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.402 -0.250 19586 3817 1 6 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.140 -1.857 19586 3818 1 6 . 1 1 77 77 LYS CB C 77 29.478 29.478 31.109 -1.631 19586 3819 1 6 . 1 1 77 77 LYS H H 77 7.622 7.622 7.475 0.147 19586 3820 1 6 . 1 1 78 78 ASP N N 78 119.146 119.146 122.745 -3.599 19586 3821 1 6 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.397 -0.154 19586 3822 1 6 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.975 -2.914 19586 3823 1 6 . 1 1 78 78 ASP H H 78 7.991 7.991 8.400 -0.409 19586 3824 1 6 . 1 1 79 79 THR N N 79 112.750 112.750 114.002 -1.252 19586 3825 1 6 . 1 1 79 79 THR HA H 79 4.170 4.170 4.413 -0.243 19586 3826 1 6 . 1 1 79 79 THR CA C 79 59.030 59.030 62.384 -3.354 19586 3827 1 6 . 1 1 79 79 THR CB C 79 67.668 67.668 69.115 -1.448 19586 3828 1 6 . 1 1 79 79 THR H H 79 7.587 7.587 8.154 -0.567 19586 3829 1 6 . 1 1 80 80 ASP N N 80 122.888 122.888 126.885 -3.997 19586 3830 1 6 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.859 -0.487 19586 3831 1 6 . 1 1 80 80 ASP CA C 80 50.850 50.850 53.192 -2.342 19586 3832 1 6 . 1 1 80 80 ASP CB C 80 37.353 37.353 43.300 -5.947 19586 3833 1 6 . 1 1 80 80 ASP H H 80 8.354 8.354 8.285 0.069 19586 3834 1 6 . 1 1 81 81 SER N N 81 117.571 117.571 115.882 1.689 19586 3835 1 6 . 1 1 81 81 SER HA H 81 4.115 4.115 4.280 -0.165 19586 3836 1 6 . 1 1 81 81 SER CA C 81 57.717 57.717 61.110 -3.393 19586 3837 1 6 . 1 1 81 81 SER CB C 81 60.884 60.884 63.676 -2.792 19586 3838 1 6 . 1 1 81 81 SER H H 81 8.232 8.232 8.510 -0.278 19586 3839 1 6 . 1 1 82 82 GLU N N 82 121.860 121.860 122.098 -0.238 19586 3840 1 6 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.099 -0.216 19586 3841 1 6 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.480 -2.773 19586 3842 1 6 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.056 0.535 19586 3843 1 6 . 1 1 82 82 GLU H H 82 8.364 8.364 8.919 -0.555 19586 3844 1 6 . 1 1 83 83 GLU N N 83 119.398 119.398 117.492 1.906 19586 3845 1 6 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.141 -0.258 19586 3846 1 6 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.562 -2.956 19586 3847 1 6 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.424 -0.059 19586 3848 1 6 . 1 1 83 83 GLU H H 83 8.032 8.032 8.943 -0.911 19586 3849 1 6 . 1 1 84 84 GLU N N 84 118.279 118.279 118.626 -0.347 19586 3850 1 6 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.270 -0.399 19586 3851 1 6 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.637 -2.031 19586 3852 1 6 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.266 -3.449 19586 3853 1 6 . 1 1 84 84 GLU H H 84 8.153 8.153 7.843 0.310 19586 3854 1 6 . 1 1 85 85 ILE N N 85 120.970 120.970 121.416 -0.446 19586 3855 1 6 . 1 1 85 85 ILE HA H 85 3.612 3.612 4.069 -0.457 19586 3856 1 6 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.382 -0.943 19586 3857 1 6 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.707 -4.099 19586 3858 1 6 . 1 1 85 85 ILE H H 85 7.927 7.927 8.007 -0.080 19586 3859 1 6 . 1 1 86 86 ARG N N 86 121.766 121.766 118.944 2.822 19586 3860 1 6 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.207 -0.199 19586 3861 1 6 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.536 -2.022 19586 3862 1 6 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.366 -3.510 19586 3863 1 6 . 1 1 86 86 ARG H H 86 8.233 8.233 8.400 -0.167 19586 3864 1 6 . 1 1 87 87 GLU N N 87 118.369 118.369 117.483 0.886 19586 3865 1 6 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.225 -0.323 19586 3866 1 6 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.579 -0.973 19586 3867 1 6 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.407 -3.590 19586 3868 1 6 . 1 1 87 87 GLU H H 87 8.156 8.156 7.984 0.172 19586 3869 1 6 . 1 1 88 88 ALA N N 88 120.337 120.337 118.944 1.393 19586 3870 1 6 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.682 -0.733 19586 3871 1 6 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.624 -0.361 19586 3872 1 6 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.286 -5.206 19586 3873 1 6 . 1 1 88 88 ALA H H 88 7.877 7.877 7.485 0.392 19586 3874 1 6 . 1 1 89 89 PHE N N 89 118.191 118.191 120.418 -2.227 19586 3875 1 6 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.427 -1.312 19586 3876 1 6 . 1 1 89 89 PHE CA C 89 59.703 59.703 62.279 -2.576 19586 3877 1 6 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.784 -3.010 19586 3878 1 6 . 1 1 89 89 PHE H H 89 8.459 8.459 8.291 0.168 19586 3879 1 6 . 1 1 90 90 ARG N N 90 115.953 115.953 117.782 -1.829 19586 3880 1 6 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.744 -0.839 19586 3881 1 6 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.206 -2.038 19586 3882 1 6 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.867 -2.213 19586 3883 1 6 . 1 1 90 90 ARG H H 90 7.764 7.764 7.853 -0.089 19586 3884 1 6 . 1 1 91 91 VAL N N 91 118.202 118.202 117.656 0.546 19586 3885 1 6 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.948 -0.663 19586 3886 1 6 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.581 -1.224 19586 3887 1 6 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.058 -3.614 19586 3888 1 6 . 1 1 91 91 VAL H H 91 7.229 7.229 7.316 -0.087 19586 3889 1 6 . 1 1 92 92 PHE N N 92 112.447 112.447 118.861 -6.414 19586 3890 1 6 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.278 -0.333 19586 3891 1 6 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.091 -1.062 19586 3892 1 6 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.296 -1.458 19586 3893 1 6 . 1 1 92 92 PHE H H 92 6.699 6.699 7.327 -0.628 19586 3894 1 6 . 1 1 93 93 ASP N N 93 116.461 116.461 118.424 -1.963 19586 3895 1 6 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.635 -0.159 19586 3896 1 6 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.976 -4.451 19586 3897 1 6 . 1 1 93 93 ASP CB C 93 35.183 35.183 41.142 -5.959 19586 3898 1 6 . 1 1 93 93 ASP H H 93 7.881 7.881 8.383 -0.502 19586 3899 1 6 . 1 1 94 94 LYS N N 94 125.494 125.494 123.883 1.611 19586 3900 1 6 . 1 1 94 94 LYS HA H 94 3.668 3.668 3.998 -0.330 19586 3901 1 6 . 1 1 94 94 LYS CA C 94 55.976 55.976 59.251 -3.275 19586 3902 1 6 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.677 -1.263 19586 3903 1 6 . 1 1 94 94 LYS H H 94 7.596 7.596 8.720 -1.124 19586 3904 1 6 . 1 1 95 95 ASP N N 95 114.015 114.015 117.171 -3.156 19586 3905 1 6 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.575 -0.160 19586 3906 1 6 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.760 -4.453 19586 3907 1 6 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.710 -4.936 19586 3908 1 6 . 1 1 95 95 ASP H H 95 8.097 8.097 7.749 0.348 19586 3909 1 6 . 1 1 96 96 GLY N N 96 109.147 109.147 108.975 0.172 19586 3910 1 6 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.012 -0.668 19586 3911 1 6 . 1 1 96 96 GLY H H 96 7.677 7.677 8.358 -0.681 19586 3912 1 6 . 1 1 97 97 ASN N N 97 119.575 119.575 119.275 0.300 19586 3913 1 6 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.929 -0.429 19586 3914 1 6 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.470 -2.554 19586 3915 1 6 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.852 -3.669 19586 3916 1 6 . 1 1 97 97 ASN H H 97 8.252 8.252 8.262 -0.010 19586 3917 1 6 . 1 1 98 98 GLY N N 98 112.465 112.465 107.273 5.192 19586 3918 1 6 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.631 -3.339 19586 3919 1 6 . 1 1 98 98 GLY H H 98 10.462 10.462 8.276 2.186 19586 3920 1 6 . 1 1 99 99 TYR N N 99 116.256 116.256 118.480 -2.224 19586 3921 1 6 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.900 -0.018 19586 3922 1 6 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.398 -2.816 19586 3923 1 6 . 1 1 99 99 TYR CB C 99 39.981 39.981 42.121 -2.140 19586 3924 1 6 . 1 1 99 99 TYR H H 99 7.557 7.557 7.595 -0.038 19586 3925 1 6 . 1 1 100 100 ILE N N 100 126.957 126.957 121.539 5.418 19586 3926 1 6 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.315 0.142 19586 3927 1 6 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.608 -1.992 19586 3928 1 6 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.956 -3.524 19586 3929 1 6 . 1 1 100 100 ILE H H 100 9.972 9.972 8.831 1.141 19586 3930 1 6 . 1 1 101 101 SER N N 101 123.739 123.739 122.072 1.667 19586 3931 1 6 . 1 1 101 101 SER HA H 101 4.711 4.711 4.438 0.273 19586 3932 1 6 . 1 1 101 101 SER CA C 101 52.897 52.897 58.816 -5.919 19586 3933 1 6 . 1 1 101 101 SER CB C 101 64.134 64.134 64.400 -0.266 19586 3934 1 6 . 1 1 101 101 SER H H 101 8.844 8.844 8.862 -0.018 19586 3935 1 6 . 1 1 102 102 ALA N N 102 123.028 123.028 127.442 -4.414 19586 3936 1 6 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.165 -0.454 19586 3937 1 6 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.082 -1.989 19586 3938 1 6 . 1 1 102 102 ALA CB C 102 15.114 15.114 19.078 -3.964 19586 3939 1 6 . 1 1 102 102 ALA H H 102 9.178 9.178 8.807 0.371 19586 3940 1 6 . 1 1 103 103 ALA N N 103 118.443 118.443 118.106 0.337 19586 3941 1 6 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.412 -0.551 19586 3942 1 6 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.081 -0.672 19586 3943 1 6 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.677 -2.221 19586 3944 1 6 . 1 1 103 103 ALA H H 103 8.132 8.132 8.280 -0.148 19586 3945 1 6 . 1 1 104 104 GLU N N 104 120.139 120.139 120.478 -0.339 19586 3946 1 6 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.172 -0.333 19586 3947 1 6 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.336 -2.773 19586 3948 1 6 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.653 -3.253 19586 3949 1 6 . 1 1 104 104 GLU H H 104 7.786 7.786 7.609 0.177 19586 3950 1 6 . 1 1 105 105 LEU N N 105 121.545 121.545 118.954 2.591 19586 3951 1 6 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.940 -0.038 19586 3952 1 6 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.946 -2.214 19586 3953 1 6 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.677 -1.468 19586 3954 1 6 . 1 1 105 105 LEU H H 105 8.240 8.240 7.992 0.248 19586 3955 1 6 . 1 1 106 106 ARG N N 106 118.625 118.625 118.720 -0.095 19586 3956 1 6 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.938 -0.099 19586 3957 1 6 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.958 -1.613 19586 3958 1 6 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.610 0.780 19586 3959 1 6 . 1 1 106 106 ARG H H 106 8.761 8.761 8.375 0.386 19586 3960 1 6 . 1 1 107 107 HIS N N 107 119.052 119.052 117.909 1.143 19586 3961 1 6 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.374 -0.472 19586 3962 1 6 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.416 -2.610 19586 3963 1 6 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.140 -2.942 19586 3964 1 6 . 1 1 107 107 HIS H H 107 7.946 7.946 7.326 0.620 19586 3965 1 6 . 1 1 108 108 VAL N N 108 119.160 119.160 119.178 -0.018 19586 3966 1 6 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.803 -0.361 19586 3967 1 6 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.319 -1.034 19586 3968 1 6 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.565 -2.657 19586 3969 1 6 . 1 1 108 108 VAL H H 108 7.736 7.736 8.819 -1.083 19586 3970 1 6 . 1 1 109 109 MET N N 109 115.333 115.333 119.210 -3.877 19586 3971 1 6 . 1 1 109 109 MET HA H 109 4.139 4.139 3.980 0.159 19586 3972 1 6 . 1 1 109 109 MET CA C 109 54.686 54.686 57.816 -3.130 19586 3973 1 6 . 1 1 109 109 MET CB C 109 29.706 29.706 31.514 -1.808 19586 3974 1 6 . 1 1 109 109 MET H H 109 8.074 8.074 8.232 -0.158 19586 3975 1 6 . 1 1 110 110 THR N N 110 116.714 116.714 114.179 2.535 19586 3976 1 6 . 1 1 110 110 THR HA H 110 3.935 3.935 4.048 -0.113 19586 3977 1 6 . 1 1 110 110 THR CA C 110 63.845 63.845 66.145 -2.300 19586 3978 1 6 . 1 1 110 110 THR CB C 110 66.072 66.072 68.288 -2.216 19586 3979 1 6 . 1 1 110 110 THR H H 110 8.515 8.515 7.788 0.727 19586 3980 1 6 . 1 1 111 111 ASN N N 111 123.784 123.784 119.919 3.865 19586 3981 1 6 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.497 -0.255 19586 3982 1 6 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.986 -2.893 19586 3983 1 6 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.187 -2.895 19586 3984 1 6 . 1 1 111 111 ASN H H 111 7.890 7.890 7.964 -0.074 19586 3985 1 6 . 1 1 112 112 LEU N N 112 118.227 118.227 117.662 0.565 19586 3986 1 6 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.291 -0.176 19586 3987 1 6 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.193 -2.540 19586 3988 1 6 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.724 -1.986 19586 3989 1 6 . 1 1 112 112 LEU H H 112 7.621 7.621 7.180 0.441 19586 3990 1 6 . 1 1 113 113 GLY N N 113 106.787 106.787 104.632 2.155 19586 3991 1 6 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.895 -2.359 19586 3992 1 6 . 1 1 113 113 GLY H H 113 7.701 7.701 7.469 0.232 19586 3993 1 6 . 1 1 114 114 GLU N N 114 120.288 120.288 118.975 1.313 19586 3994 1 6 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.507 -0.265 19586 3995 1 6 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.775 -1.708 19586 3996 1 6 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.055 -3.439 19586 3997 1 6 . 1 1 114 114 GLU H H 114 7.864 7.864 7.688 0.176 19586 3998 1 6 . 1 1 115 115 LYS N N 115 124.987 124.987 126.001 -1.014 19586 3999 1 6 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.223 0.000 19586 4000 1 6 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.384 -3.536 19586 4001 1 6 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.130 -0.173 19586 4002 1 6 . 1 1 115 115 LYS H H 115 8.491 8.491 8.448 0.043 19586 4003 1 6 . 1 1 116 116 LEU N N 116 124.912 124.912 121.648 3.264 19586 4004 1 6 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.779 -0.067 19586 4005 1 6 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.788 -1.699 19586 4006 1 6 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.873 -1.285 19586 4007 1 6 . 1 1 116 116 LEU H H 116 7.978 7.978 7.658 0.320 19586 4008 1 6 . 1 1 117 117 THR N N 117 114.220 114.220 112.593 1.627 19586 4009 1 6 . 1 1 117 117 THR HA H 117 4.302 4.302 4.461 -0.159 19586 4010 1 6 . 1 1 117 117 THR CA C 117 57.834 57.834 60.296 -2.462 19586 4011 1 6 . 1 1 117 117 THR CB C 117 68.580 68.580 70.600 -2.020 19586 4012 1 6 . 1 1 117 117 THR H H 117 9.093 9.093 7.900 1.193 19586 4013 1 6 . 1 1 118 118 ASP N N 118 120.925 120.925 121.516 -0.591 19586 4014 1 6 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.297 -0.239 19586 4015 1 6 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.000 -2.757 19586 4016 1 6 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.787 -3.785 19586 4017 1 6 . 1 1 118 118 ASP H H 118 8.764 8.764 8.725 0.039 19586 4018 1 6 . 1 1 119 119 GLU N N 119 119.395 119.395 118.014 1.381 19586 4019 1 6 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.017 -0.090 19586 4020 1 6 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.176 -2.027 19586 4021 1 6 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.931 -3.000 19586 4022 1 6 . 1 1 119 119 GLU H H 119 8.509 8.509 8.769 -0.260 19586 4023 1 6 . 1 1 120 120 GLU N N 120 119.909 119.909 119.151 0.758 19586 4024 1 6 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.142 -0.246 19586 4025 1 6 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.475 -2.156 19586 4026 1 6 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.839 -4.009 19586 4027 1 6 . 1 1 120 120 GLU H H 120 7.585 7.585 7.646 -0.061 19586 4028 1 6 . 1 1 121 121 VAL N N 121 122.092 122.092 115.663 6.429 19586 4029 1 6 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.880 -0.438 19586 4030 1 6 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.230 -1.139 19586 4031 1 6 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.799 -3.119 19586 4032 1 6 . 1 1 121 121 VAL H H 121 7.849 7.849 7.304 0.545 19586 4033 1 6 . 1 1 122 122 ASP N N 122 120.167 120.167 121.267 -1.100 19586 4034 1 6 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.269 -0.112 19586 4035 1 6 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.260 -3.359 19586 4036 1 6 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.850 -3.278 19586 4037 1 6 . 1 1 122 122 ASP H H 122 7.912 7.912 8.559 -0.647 19586 4038 1 6 . 1 1 123 123 GLU N N 123 119.087 119.087 118.276 0.811 19586 4039 1 6 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.118 -0.222 19586 4040 1 6 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.882 -2.270 19586 4041 1 6 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.598 -3.426 19586 4042 1 6 . 1 1 123 123 GLU H H 123 7.839 7.839 7.708 0.131 19586 4043 1 6 . 1 1 124 124 MET N N 124 118.897 118.897 117.764 1.133 19586 4044 1 6 . 1 1 124 124 MET HA H 124 3.867 3.867 4.253 -0.386 19586 4045 1 6 . 1 1 124 124 MET CA C 124 56.905 56.905 59.047 -2.142 19586 4046 1 6 . 1 1 124 124 MET CB C 124 29.250 29.250 33.211 -3.961 19586 4047 1 6 . 1 1 124 124 MET H H 124 7.433 7.433 7.408 0.025 19586 4048 1 6 . 1 1 125 125 ILE N N 125 118.001 118.001 114.407 3.594 19586 4049 1 6 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.084 -0.704 19586 4050 1 6 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.280 -3.149 19586 4051 1 6 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.877 -4.637 19586 4052 1 6 . 1 1 125 125 ILE H H 125 7.658 7.658 8.402 -0.744 19586 4053 1 6 . 1 1 126 126 ARG N N 126 117.720 117.720 120.685 -2.965 19586 4054 1 6 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.991 -0.108 19586 4055 1 6 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.515 -2.842 19586 4056 1 6 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.204 -0.726 19586 4057 1 6 . 1 1 126 126 ARG H H 126 7.974 7.974 8.203 -0.229 19586 4058 1 6 . 1 1 127 127 GLU N N 127 117.050 117.050 115.908 1.142 19586 4059 1 6 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.205 -0.238 19586 4060 1 6 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.971 -1.652 19586 4061 1 6 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.685 -3.399 19586 4062 1 6 . 1 1 127 127 GLU H H 127 7.635 7.635 7.731 -0.096 19586 4063 1 6 . 1 1 128 128 ALA N N 128 116.966 116.966 118.497 -1.531 19586 4064 1 6 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.374 0.126 19586 4065 1 6 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.442 -4.237 19586 4066 1 6 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.263 -0.158 19586 4067 1 6 . 1 1 128 128 ALA H H 128 7.155 7.155 7.272 -0.117 19586 4068 1 6 . 1 1 129 129 ASP N N 129 118.033 118.033 119.497 -1.464 19586 4069 1 6 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.874 -0.523 19586 4070 1 6 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.089 -1.267 19586 4071 1 6 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.957 -4.271 19586 4072 1 6 . 1 1 129 129 ASP H H 129 7.806 7.806 7.639 0.167 19586 4073 1 6 . 1 1 130 130 ILE N N 130 127.927 127.927 121.872 6.055 19586 4074 1 6 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.144 -0.347 19586 4075 1 6 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.725 -2.203 19586 4076 1 6 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.108 -2.018 19586 4077 1 6 . 1 1 130 130 ILE H H 130 8.115 8.115 8.490 -0.375 19586 4078 1 6 . 1 1 131 131 ASP N N 131 116.634 116.634 119.550 -2.916 19586 4079 1 6 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.743 -0.400 19586 4080 1 6 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.479 -2.292 19586 4081 1 6 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.220 -3.752 19586 4082 1 6 . 1 1 131 131 ASP H H 131 8.202 8.202 7.949 0.253 19586 4083 1 6 . 1 1 132 132 GLY N N 132 108.586 108.586 109.010 -0.424 19586 4084 1 6 . 1 1 132 132 GLY CA C 132 44.638 44.638 46.013 -1.375 19586 4085 1 6 . 1 1 132 132 GLY H H 132 7.535 7.535 7.460 0.075 19586 4086 1 6 . 1 1 133 133 ASP N N 133 120.377 120.377 120.300 0.077 19586 4087 1 6 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.571 -0.220 19586 4088 1 6 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.731 -3.789 19586 4089 1 6 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.233 -3.775 19586 4090 1 6 . 1 1 133 133 ASP H H 133 8.215 8.215 8.863 -0.648 19586 4091 1 6 . 1 1 134 134 GLY N N 134 112.226 112.226 107.018 5.208 19586 4092 1 6 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.327 -2.205 19586 4093 1 6 . 1 1 134 134 GLY H H 134 9.971 9.971 8.508 1.463 19586 4094 1 6 . 1 1 135 135 GLN N N 135 115.229 115.229 117.222 -1.993 19586 4095 1 6 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.863 -0.732 19586 4096 1 6 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.739 -4.285 19586 4097 1 6 . 1 1 135 135 GLN CB C 135 30.614 30.614 33.989 -3.375 19586 4098 1 6 . 1 1 135 135 GLN H H 135 7.835 7.835 7.547 0.288 19586 4099 1 6 . 1 1 136 136 VAL N N 136 125.238 125.238 122.157 3.081 19586 4100 1 6 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.445 0.651 19586 4101 1 6 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.512 -1.799 19586 4102 1 6 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.710 -1.294 19586 4103 1 6 . 1 1 136 136 VAL H H 136 8.958 8.958 9.019 -0.061 19586 4104 1 6 . 1 1 137 137 ASN N N 137 129.058 129.058 126.759 2.299 19586 4105 1 6 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.765 0.461 19586 4106 1 6 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.394 -4.042 19586 4107 1 6 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.077 -3.437 19586 4108 1 6 . 1 1 137 137 ASN H H 137 9.435 9.435 8.590 0.845 19586 4109 1 6 . 1 1 138 138 TYR N N 138 118.627 118.627 119.433 -0.806 19586 4110 1 6 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.607 -1.415 19586 4111 1 6 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.407 -2.738 19586 4112 1 6 . 1 1 138 138 TYR CB C 138 37.572 37.572 39.070 -1.498 19586 4113 1 6 . 1 1 138 138 TYR H H 138 8.146 8.146 8.402 -0.256 19586 4114 1 6 . 1 1 139 139 GLU N N 139 118.701 118.701 118.013 0.688 19586 4115 1 6 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.102 -0.591 19586 4116 1 6 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.221 -1.681 19586 4117 1 6 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.360 -3.086 19586 4118 1 6 . 1 1 139 139 GLU H H 139 7.974 7.974 8.357 -0.383 19586 4119 1 6 . 1 1 140 140 GLU N N 140 119.774 119.774 119.598 0.176 19586 4120 1 6 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.183 -0.272 19586 4121 1 6 . 1 1 140 140 GLU CA C 140 56.025 56.025 59.066 -3.041 19586 4122 1 6 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.679 -3.405 19586 4123 1 6 . 1 1 140 140 GLU H H 140 8.676 8.676 8.033 0.643 19586 4124 1 6 . 1 1 141 141 PHE N N 141 124.074 124.074 120.391 3.683 19586 4125 1 6 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.178 -0.531 19586 4126 1 6 . 1 1 141 141 PHE CA C 141 59.447 59.447 59.879 -0.432 19586 4127 1 6 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.873 -1.188 19586 4128 1 6 . 1 1 141 141 PHE H H 141 8.507 8.507 7.467 1.040 19586 4129 1 6 . 1 1 142 142 VAL N N 142 119.203 119.203 120.323 -1.120 19586 4130 1 6 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.263 -0.305 19586 4131 1 6 . 1 1 142 142 VAL CA C 142 64.432 64.432 66.290 -1.859 19586 4132 1 6 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.703 -2.795 19586 4133 1 6 . 1 1 142 142 VAL H H 142 8.639 8.639 7.587 1.052 19586 4134 1 6 . 1 1 143 143 GLN N N 143 120.173 120.173 118.246 1.927 19586 4135 1 6 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.017 -0.346 19586 4136 1 6 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.590 -2.076 19586 4137 1 6 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.533 -3.287 19586 4138 1 6 . 1 1 143 143 GLN H H 143 7.818 7.818 7.600 0.218 19586 4139 1 6 . 1 1 144 144 MET N N 144 118.573 118.573 115.558 3.015 19586 4140 1 6 . 1 1 144 144 MET HA H 144 3.882 3.882 4.285 -0.403 19586 4141 1 6 . 1 1 144 144 MET CA C 144 55.683 55.683 57.000 -1.317 19586 4142 1 6 . 1 1 144 144 MET CB C 144 28.110 28.110 32.493 -4.383 19586 4143 1 6 . 1 1 144 144 MET H H 144 7.403 7.403 7.227 0.176 19586 4144 1 6 . 1 1 145 145 MET N N 145 114.053 114.053 117.933 -3.880 19586 4145 1 6 . 1 1 145 145 MET HA H 145 3.940 3.940 4.230 -0.290 19586 4146 1 6 . 1 1 145 145 MET CA C 145 53.630 53.630 58.260 -4.630 19586 4147 1 6 . 1 1 145 145 MET CB C 145 29.592 29.592 32.622 -3.030 19586 4148 1 6 . 1 1 145 145 MET H H 145 7.534 7.534 7.304 0.230 19586 4149 1 6 . 1 1 146 146 THR N N 146 109.275 109.275 115.205 -5.930 19586 4150 1 6 . 1 1 146 146 THR HA H 146 4.175 4.175 4.134 0.041 19586 4151 1 6 . 1 1 146 146 THR CA C 146 59.251 59.251 64.247 -4.996 19586 4152 1 6 . 1 1 146 146 THR CB C 146 67.896 67.896 69.124 -1.228 19586 4153 1 6 . 1 1 146 146 THR H H 146 7.554 7.554 7.510 0.044 19586 4154 1 6 . 1 1 147 147 ALA N N 147 126.913 126.913 122.927 3.986 19586 4155 1 6 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.577 -0.460 19586 4156 1 6 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.950 -0.643 19586 4157 1 6 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.202 -3.866 19586 4158 1 6 . 1 1 147 147 ALA H H 147 7.406 7.406 7.540 -0.134 19586 4159 1 7 . 1 1 2 2 ASP N N 2 120.378 120.378 120.410 -0.032 19586 4160 1 7 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.446 0.139 19586 4161 1 7 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.743 -2.784 19586 4162 1 7 . 1 1 2 2 ASP H H 2 8.506 8.506 8.376 0.130 19586 4163 1 7 . 1 1 3 3 GLN N N 3 119.707 119.707 120.176 -0.469 19586 4164 1 7 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.607 -0.395 19586 4165 1 7 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.402 -2.667 19586 4166 1 7 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.205 -0.131 19586 4167 1 7 . 1 1 3 3 GLN H H 3 8.208 8.208 8.368 -0.160 19586 4168 1 7 . 1 1 4 4 LEU N N 4 123.069 123.069 122.586 0.483 19586 4169 1 7 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.579 -0.439 19586 4170 1 7 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.132 -3.474 19586 4171 1 7 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.484 -2.860 19586 4172 1 7 . 1 1 4 4 LEU H H 4 8.181 8.181 8.559 -0.378 19586 4173 1 7 . 1 1 5 5 THR N N 5 112.909 112.909 111.739 1.170 19586 4174 1 7 . 1 1 5 5 THR HA H 5 4.322 4.322 4.718 -0.396 19586 4175 1 7 . 1 1 5 5 THR CA C 5 57.687 57.687 63.451 -5.764 19586 4176 1 7 . 1 1 5 5 THR CB C 5 68.580 68.580 69.049 -0.469 19586 4177 1 7 . 1 1 5 5 THR H H 5 8.607 8.607 7.915 0.692 19586 4178 1 7 . 1 1 6 6 GLU N N 6 120.224 120.224 122.135 -1.911 19586 4179 1 7 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.234 -0.409 19586 4180 1 7 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.418 -2.171 19586 4181 1 7 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.103 0.033 19586 4182 1 7 . 1 1 6 6 GLU H H 6 8.877 8.877 8.713 0.164 19586 4183 1 7 . 1 1 7 7 GLU N N 7 119.350 119.350 117.690 1.660 19586 4184 1 7 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.210 -0.293 19586 4185 1 7 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.188 -0.990 19586 4186 1 7 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.231 -2.957 19586 4187 1 7 . 1 1 7 7 GLU H H 7 8.524 8.524 8.602 -0.078 19586 4188 1 7 . 1 1 8 8 GLN N N 8 119.917 119.917 116.929 2.988 19586 4189 1 7 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.195 -0.292 19586 4190 1 7 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.928 -1.952 19586 4191 1 7 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.269 -2.869 19586 4192 1 7 . 1 1 8 8 GLN H H 8 7.603 7.603 7.486 0.117 19586 4193 1 7 . 1 1 9 9 ILE N N 9 119.503 119.503 116.970 2.533 19586 4194 1 7 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.217 -0.578 19586 4195 1 7 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.656 2.140 19586 4196 1 7 . 1 1 9 9 ILE CB C 9 35.178 35.178 39.167 -3.989 19586 4197 1 7 . 1 1 9 9 ILE H H 9 8.260 8.260 7.435 0.825 19586 4198 1 7 . 1 1 10 10 ALA N N 10 121.044 121.044 123.352 -2.308 19586 4199 1 7 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.278 -0.317 19586 4200 1 7 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.708 -2.006 19586 4201 1 7 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.362 -3.248 19586 4202 1 7 . 1 1 10 10 ALA H H 10 7.840 7.840 8.271 -0.431 19586 4203 1 7 . 1 1 11 11 GLU N N 11 119.113 119.113 118.723 0.390 19586 4204 1 7 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.343 -0.435 19586 4205 1 7 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.958 -1.395 19586 4206 1 7 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.661 -3.261 19586 4207 1 7 . 1 1 11 11 GLU H H 11 7.635 7.635 8.018 -0.383 19586 4208 1 7 . 1 1 12 12 PHE N N 12 119.574 119.574 120.361 -0.787 19586 4209 1 7 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.370 0.416 19586 4210 1 7 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.766 -4.812 19586 4211 1 7 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.679 -4.615 19586 4212 1 7 . 1 1 12 12 PHE H H 12 8.441 8.441 7.707 0.734 19586 4213 1 7 . 1 1 13 13 LYS N N 13 123.454 123.454 119.598 3.856 19586 4214 1 7 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.379 -0.476 19586 4215 1 7 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.510 -1.214 19586 4216 1 7 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.109 -2.517 19586 4217 1 7 . 1 1 13 13 LYS H H 13 9.103 9.103 7.988 1.115 19586 4218 1 7 . 1 1 14 14 GLU N N 14 119.525 119.525 117.859 1.666 19586 4219 1 7 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.366 -0.455 19586 4220 1 7 . 1 1 14 14 GLU CA C 14 56.465 56.465 58.141 -1.676 19586 4221 1 7 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.021 -3.519 19586 4222 1 7 . 1 1 14 14 GLU H H 14 7.667 7.667 8.038 -0.371 19586 4223 1 7 . 1 1 15 15 ALA N N 15 121.983 121.983 122.581 -0.598 19586 4224 1 7 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.170 -0.209 19586 4225 1 7 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.752 -2.001 19586 4226 1 7 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.957 -3.729 19586 4227 1 7 . 1 1 15 15 ALA H H 15 7.816 7.816 7.908 -0.092 19586 4228 1 7 . 1 1 16 16 PHE N N 16 118.874 118.874 118.867 0.007 19586 4229 1 7 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.096 -1.002 19586 4230 1 7 . 1 1 16 16 PHE CA C 16 59.544 59.544 61.169 -1.625 19586 4231 1 7 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.280 -2.506 19586 4232 1 7 . 1 1 16 16 PHE H H 16 8.764 8.764 8.659 0.105 19586 4233 1 7 . 1 1 17 17 SER N N 17 111.578 111.578 113.380 -1.802 19586 4234 1 7 . 1 1 17 17 SER HA H 17 3.979 3.979 4.264 -0.285 19586 4235 1 7 . 1 1 17 17 SER CA C 17 58.567 58.567 60.204 -1.637 19586 4236 1 7 . 1 1 17 17 SER CB C 17 60.600 60.600 62.811 -2.211 19586 4237 1 7 . 1 1 17 17 SER H H 17 7.825 7.825 8.680 -0.855 19586 4238 1 7 . 1 1 18 18 LEU N N 18 121.167 121.167 120.482 0.685 19586 4239 1 7 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.961 -0.014 19586 4240 1 7 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.151 -2.542 19586 4241 1 7 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.006 -2.368 19586 4242 1 7 . 1 1 18 18 LEU H H 18 7.240 7.240 7.227 0.013 19586 4243 1 7 . 1 1 19 19 PHE N N 19 114.405 114.405 114.372 0.033 19586 4244 1 7 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.239 -0.328 19586 4245 1 7 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.514 -2.267 19586 4246 1 7 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.749 -5.939 19586 4247 1 7 . 1 1 19 19 PHE H H 19 7.090 7.090 7.244 -0.154 19586 4248 1 7 . 1 1 20 20 ASP N N 20 115.823 115.823 119.699 -3.876 19586 4249 1 7 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.414 0.062 19586 4250 1 7 . 1 1 20 20 ASP CA C 20 49.476 49.476 53.948 -4.472 19586 4251 1 7 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.228 -2.446 19586 4252 1 7 . 1 1 20 20 ASP H H 20 7.662 7.662 7.855 -0.193 19586 4253 1 7 . 1 1 21 21 LYS N N 21 124.906 124.906 121.997 2.909 19586 4254 1 7 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.144 -0.358 19586 4255 1 7 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.815 -1.790 19586 4256 1 7 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.426 -2.726 19586 4257 1 7 . 1 1 21 21 LYS H H 21 7.539 7.539 7.986 -0.447 19586 4258 1 7 . 1 1 22 22 ASP N N 22 113.550 113.550 118.221 -4.671 19586 4259 1 7 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.654 -0.223 19586 4260 1 7 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.451 -5.486 19586 4261 1 7 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.613 -4.839 19586 4262 1 7 . 1 1 22 22 ASP H H 22 7.965 7.965 7.652 0.313 19586 4263 1 7 . 1 1 23 23 GLY N N 23 109.354 109.354 107.508 1.846 19586 4264 1 7 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.318 -1.876 19586 4265 1 7 . 1 1 23 23 GLY H H 23 7.606 7.606 8.386 -0.780 19586 4266 1 7 . 1 1 24 24 ASP N N 24 120.643 120.643 121.431 -0.788 19586 4267 1 7 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.733 -0.378 19586 4268 1 7 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.000 -2.960 19586 4269 1 7 . 1 1 24 24 ASP CB C 24 37.686 37.686 40.961 -3.275 19586 4270 1 7 . 1 1 24 24 ASP H H 24 8.266 8.266 8.234 0.032 19586 4271 1 7 . 1 1 25 25 GLY N N 25 113.205 113.205 107.995 5.210 19586 4272 1 7 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.244 -2.561 19586 4273 1 7 . 1 1 25 25 GLY H H 25 10.545 10.545 8.116 2.429 19586 4274 1 7 . 1 1 26 26 THR N N 26 112.852 112.852 110.532 2.320 19586 4275 1 7 . 1 1 26 26 THR HA H 26 5.170 5.170 5.656 -0.486 19586 4276 1 7 . 1 1 26 26 THR CA C 26 56.954 56.954 59.690 -2.736 19586 4277 1 7 . 1 1 26 26 THR CB C 26 69.948 69.948 72.038 -2.090 19586 4278 1 7 . 1 1 26 26 THR H H 26 8.020 8.020 7.595 0.425 19586 4279 1 7 . 1 1 27 27 ILE N N 27 127.005 127.005 117.350 9.655 19586 4280 1 7 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.516 -0.689 19586 4281 1 7 . 1 1 27 27 ILE CA C 27 57.931 57.931 58.287 -0.356 19586 4282 1 7 . 1 1 27 27 ILE CB C 27 37.230 37.230 39.428 -2.198 19586 4283 1 7 . 1 1 27 27 ILE H H 27 9.689 9.689 7.787 1.902 19586 4284 1 7 . 1 1 28 28 THR N N 28 116.439 116.439 115.988 0.451 19586 4285 1 7 . 1 1 28 28 THR HA H 28 4.642 4.642 4.681 -0.039 19586 4286 1 7 . 1 1 28 28 THR CA C 28 56.612 56.612 61.359 -4.747 19586 4287 1 7 . 1 1 28 28 THR CB C 28 69.606 69.606 70.192 -0.586 19586 4288 1 7 . 1 1 28 28 THR H H 28 8.275 8.275 8.411 -0.136 19586 4289 1 7 . 1 1 29 29 THR N N 29 113.287 113.287 119.998 -6.711 19586 4290 1 7 . 1 1 29 29 THR HA H 29 3.635 3.635 4.095 -0.460 19586 4291 1 7 . 1 1 29 29 THR CA C 29 63.845 63.845 63.364 0.481 19586 4292 1 7 . 1 1 29 29 THR CB C 29 65.616 65.616 68.748 -3.132 19586 4293 1 7 . 1 1 29 29 THR H H 29 9.054 9.054 8.830 0.224 19586 4294 1 7 . 1 1 30 30 LYS N N 30 121.230 121.230 118.713 2.517 19586 4295 1 7 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.208 -0.305 19586 4296 1 7 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.987 -2.522 19586 4297 1 7 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.350 -2.650 19586 4298 1 7 . 1 1 30 30 LYS H H 30 7.578 7.578 8.121 -0.543 19586 4299 1 7 . 1 1 31 31 GLU N N 31 122.002 122.002 118.371 3.631 19586 4300 1 7 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.254 -0.391 19586 4301 1 7 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.939 -0.790 19586 4302 1 7 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.661 -2.603 19586 4303 1 7 . 1 1 31 31 GLU H H 31 7.712 7.712 8.329 -0.617 19586 4304 1 7 . 1 1 32 32 LEU N N 32 119.130 119.130 119.847 -0.717 19586 4305 1 7 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.230 -0.305 19586 4306 1 7 . 1 1 32 32 LEU CA C 32 55.529 55.529 57.334 -1.805 19586 4307 1 7 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.279 -1.298 19586 4308 1 7 . 1 1 32 32 LEU H H 32 8.509 8.509 7.698 0.811 19586 4309 1 7 . 1 1 33 33 GLY N N 33 103.747 103.747 104.668 -0.921 19586 4310 1 7 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.010 -0.346 19586 4311 1 7 . 1 1 33 33 GLY H H 33 8.388 8.388 7.758 0.630 19586 4312 1 7 . 1 1 34 34 THR N N 34 117.487 117.487 117.251 0.236 19586 4313 1 7 . 1 1 34 34 THR HA H 34 3.795 3.795 4.836 -1.041 19586 4314 1 7 . 1 1 34 34 THR CA C 34 64.285 64.285 64.715 -0.429 19586 4315 1 7 . 1 1 34 34 THR CB C 34 66.186 66.186 69.004 -2.818 19586 4316 1 7 . 1 1 34 34 THR H H 34 7.935 7.935 7.822 0.113 19586 4317 1 7 . 1 1 35 35 VAL N N 35 120.287 120.287 118.510 1.777 19586 4318 1 7 . 1 1 35 35 VAL H H 35 7.089 7.089 7.288 -0.199 19586 4319 1 7 . 1 1 36 36 MET N N 36 117.816 117.816 118.483 -0.667 19586 4320 1 7 . 1 1 36 36 MET HA H 36 3.911 3.911 4.260 -0.349 19586 4321 1 7 . 1 1 36 36 MET CA C 36 57.101 57.101 58.154 -1.054 19586 4322 1 7 . 1 1 36 36 MET CB C 36 29.929 29.929 32.402 -2.473 19586 4323 1 7 . 1 1 36 36 MET H H 36 8.318 8.318 7.716 0.602 19586 4324 1 7 . 1 1 37 37 ARG N N 37 117.706 117.706 118.701 -0.995 19586 4325 1 7 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.254 0.444 19586 4326 1 7 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.101 -1.929 19586 4327 1 7 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.815 -2.731 19586 4328 1 7 . 1 1 37 37 ARG H H 37 8.233 8.233 7.831 0.402 19586 4329 1 7 . 1 1 38 38 SER N N 38 118.974 118.974 114.536 4.438 19586 4330 1 7 . 1 1 38 38 SER HA H 38 4.187 4.187 4.424 -0.237 19586 4331 1 7 . 1 1 38 38 SER CA C 38 59.251 59.251 60.362 -1.111 19586 4332 1 7 . 1 1 38 38 SER CB C 38 67.782 67.782 63.642 4.140 19586 4333 1 7 . 1 1 38 38 SER H H 38 7.874 7.874 7.950 -0.076 19586 4334 1 7 . 1 1 39 39 LEU N N 39 118.835 118.835 121.674 -2.839 19586 4335 1 7 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.424 -0.285 19586 4336 1 7 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.523 -4.189 19586 4337 1 7 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.553 -2.916 19586 4338 1 7 . 1 1 39 39 LEU H H 39 7.248 7.248 7.535 -0.287 19586 4339 1 7 . 1 1 40 40 GLY N N 40 104.990 104.990 106.167 -1.177 19586 4340 1 7 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.591 -2.713 19586 4341 1 7 . 1 1 40 40 GLY H H 40 7.471 7.471 7.966 -0.495 19586 4342 1 7 . 1 1 41 41 GLN N N 41 118.032 118.032 118.660 -0.628 19586 4343 1 7 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.565 -0.195 19586 4344 1 7 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.129 -2.942 19586 4345 1 7 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.102 -0.484 19586 4346 1 7 . 1 1 41 41 GLN H H 41 7.860 7.860 7.900 -0.040 19586 4347 1 7 . 1 1 42 42 ASN N N 42 115.671 115.671 116.852 -1.181 19586 4348 1 7 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.014 0.080 19586 4349 1 7 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.639 -1.946 19586 4350 1 7 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.614 -3.060 19586 4351 1 7 . 1 1 42 42 ASN H H 42 8.561 8.561 8.390 0.171 19586 4352 1 7 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.583 0.128 19586 4353 1 7 . 1 1 44 44 THR N N 44 113.509 113.509 116.275 -2.766 19586 4354 1 7 . 1 1 44 44 THR HA H 44 4.321 4.321 4.391 -0.070 19586 4355 1 7 . 1 1 44 44 THR CA C 44 57.638 57.638 60.688 -3.050 19586 4356 1 7 . 1 1 44 44 THR CB C 44 68.466 68.466 68.847 -0.381 19586 4357 1 7 . 1 1 44 44 THR H H 44 8.882 8.882 8.521 0.361 19586 4358 1 7 . 1 1 45 45 GLU N N 45 120.506 120.506 123.288 -2.782 19586 4359 1 7 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.882 -0.002 19586 4360 1 7 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.910 -2.809 19586 4361 1 7 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.575 -3.300 19586 4362 1 7 . 1 1 45 45 GLU H H 45 8.662 8.662 8.559 0.103 19586 4363 1 7 . 1 1 46 46 ALA N N 46 120.586 120.586 120.812 -0.226 19586 4364 1 7 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.146 -0.221 19586 4365 1 7 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.666 -2.355 19586 4366 1 7 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.397 -3.317 19586 4367 1 7 . 1 1 46 46 ALA H H 46 8.139 8.139 8.400 -0.261 19586 4368 1 7 . 1 1 47 47 GLU N N 47 118.171 118.171 118.305 -0.134 19586 4369 1 7 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.361 -0.485 19586 4370 1 7 . 1 1 47 47 GLU CA C 47 56.270 56.270 57.843 -1.573 19586 4371 1 7 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.253 -2.967 19586 4372 1 7 . 1 1 47 47 GLU H H 47 7.597 7.597 8.451 -0.854 19586 4373 1 7 . 1 1 48 48 LEU N N 48 120.228 120.228 119.715 0.513 19586 4374 1 7 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.133 -0.206 19586 4375 1 7 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.043 -1.995 19586 4376 1 7 . 1 1 48 48 LEU CB C 48 39.981 39.981 42.160 -2.179 19586 4377 1 7 . 1 1 48 48 LEU H H 48 7.848 7.848 8.234 -0.386 19586 4378 1 7 . 1 1 49 49 GLN N N 49 117.910 117.910 118.420 -0.510 19586 4379 1 7 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.010 -0.109 19586 4380 1 7 . 1 1 49 49 GLN CA C 49 55.732 55.732 59.035 -3.303 19586 4381 1 7 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.384 -0.501 19586 4382 1 7 . 1 1 49 49 GLN H H 49 8.037 8.037 7.642 0.395 19586 4383 1 7 . 1 1 50 50 ASP N N 50 119.284 119.284 118.426 0.858 19586 4384 1 7 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.474 -0.317 19586 4385 1 7 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.508 -1.802 19586 4386 1 7 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.808 -3.236 19586 4387 1 7 . 1 1 50 50 ASP H H 50 8.010 8.010 8.192 -0.182 19586 4388 1 7 . 1 1 51 51 MET N N 51 119.245 119.245 118.580 0.665 19586 4389 1 7 . 1 1 51 51 MET HA H 51 3.923 3.923 4.475 -0.552 19586 4390 1 7 . 1 1 51 51 MET CA C 51 56.563 56.563 56.534 0.029 19586 4391 1 7 . 1 1 51 51 MET CB C 51 29.478 29.478 34.172 -4.694 19586 4392 1 7 . 1 1 51 51 MET H H 51 7.614 7.614 7.761 -0.147 19586 4393 1 7 . 1 1 52 52 ILE N N 52 117.584 117.584 120.601 -3.017 19586 4394 1 7 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.794 -0.466 19586 4395 1 7 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.681 -2.791 19586 4396 1 7 . 1 1 52 52 ILE CB C 52 34.494 34.494 36.913 -2.419 19586 4397 1 7 . 1 1 52 52 ILE H H 52 7.514 7.514 8.732 -1.218 19586 4398 1 7 . 1 1 53 53 ASN N N 53 117.126 117.126 118.010 -0.884 19586 4399 1 7 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.612 -0.390 19586 4400 1 7 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.441 -3.348 19586 4401 1 7 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.537 -3.245 19586 4402 1 7 . 1 1 53 53 ASN H H 53 8.418 8.418 7.899 0.519 19586 4403 1 7 . 1 1 54 54 GLU N N 54 116.380 116.380 116.768 -0.388 19586 4404 1 7 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.240 -0.337 19586 4405 1 7 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.242 -2.119 19586 4406 1 7 . 1 1 54 54 GLU CB C 54 26.400 26.400 29.748 -3.348 19586 4407 1 7 . 1 1 54 54 GLU H H 54 7.466 7.466 8.390 -0.924 19586 4408 1 7 . 1 1 55 55 VAL N N 55 108.622 108.622 114.790 -6.168 19586 4409 1 7 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.193 0.121 19586 4410 1 7 . 1 1 55 55 VAL CA C 55 58.176 58.176 63.269 -5.093 19586 4411 1 7 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.243 -2.081 19586 4412 1 7 . 1 1 55 55 VAL H H 55 7.044 7.044 7.475 -0.431 19586 4413 1 7 . 1 1 56 56 ASP N N 56 121.430 121.430 121.331 0.099 19586 4414 1 7 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.650 -0.260 19586 4415 1 7 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.449 -1.458 19586 4416 1 7 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.150 -1.254 19586 4417 1 7 . 1 1 56 56 ASP H H 56 7.561 7.561 8.493 -0.932 19586 4418 1 7 . 1 1 57 57 ALA N N 57 131.840 131.840 123.930 7.910 19586 4419 1 7 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.117 -0.064 19586 4420 1 7 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.676 -3.196 19586 4421 1 7 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.067 -2.274 19586 4422 1 7 . 1 1 57 57 ALA H H 57 8.357 8.357 8.257 0.100 19586 4423 1 7 . 1 1 58 58 ASP N N 58 113.565 113.565 116.829 -3.264 19586 4424 1 7 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.734 -0.244 19586 4425 1 7 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.832 -2.916 19586 4426 1 7 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.242 -4.468 19586 4427 1 7 . 1 1 58 58 ASP H H 58 7.985 7.985 8.276 -0.291 19586 4428 1 7 . 1 1 59 59 GLY N N 59 108.187 108.187 109.024 -0.837 19586 4429 1 7 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.249 -1.758 19586 4430 1 7 . 1 1 59 59 GLY H H 59 7.424 7.424 7.869 -0.445 19586 4431 1 7 . 1 1 60 60 ASN N N 60 118.065 118.065 119.978 -1.913 19586 4432 1 7 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.700 -0.254 19586 4433 1 7 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.285 -3.516 19586 4434 1 7 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.459 -1.905 19586 4435 1 7 . 1 1 60 60 ASN H H 60 7.919 7.919 8.310 -0.391 19586 4436 1 7 . 1 1 61 61 GLY N N 61 113.247 113.247 108.298 4.949 19586 4437 1 7 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.819 -3.942 19586 4438 1 7 . 1 1 61 61 GLY H H 61 10.485 10.485 8.594 1.891 19586 4439 1 7 . 1 1 62 62 THR N N 62 108.699 108.699 114.597 -5.898 19586 4440 1 7 . 1 1 62 62 THR HA H 62 4.580 4.580 4.491 0.089 19586 4441 1 7 . 1 1 62 62 THR CA C 62 56.661 56.661 61.273 -4.612 19586 4442 1 7 . 1 1 62 62 THR H H 62 7.511 7.511 8.134 -0.623 19586 4443 1 7 . 1 1 63 63 ILE N N 63 122.834 122.834 120.298 2.536 19586 4444 1 7 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.315 0.739 19586 4445 1 7 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.688 -2.587 19586 4446 1 7 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.597 -4.253 19586 4447 1 7 . 1 1 63 63 ILE H H 63 8.741 8.741 8.138 0.603 19586 4448 1 7 . 1 1 64 64 ASP N N 64 127.818 127.818 119.918 7.900 19586 4449 1 7 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.344 -0.106 19586 4450 1 7 . 1 1 64 64 ASP CA C 64 49.378 49.378 51.912 -2.534 19586 4451 1 7 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.604 -6.822 19586 4452 1 7 . 1 1 64 64 ASP H H 64 8.702 8.702 8.380 0.322 19586 4453 1 7 . 1 1 65 65 PHE N N 65 118.653 118.653 118.817 -0.164 19586 4454 1 7 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.423 -0.562 19586 4455 1 7 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.254 -2.537 19586 4456 1 7 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.377 -4.251 19586 4457 1 7 . 1 1 65 65 PHE H H 65 8.847 8.847 8.812 0.035 19586 4458 1 7 . 1 1 67 67 GLU N N 67 117.631 117.631 117.239 0.392 19586 4459 1 7 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.166 -0.263 19586 4460 1 7 . 1 1 67 67 GLU CA C 67 56.337 56.337 58.678 -2.341 19586 4461 1 7 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.896 -2.851 19586 4462 1 7 . 1 1 67 67 GLU H H 67 7.940 7.940 8.904 -0.964 19586 4463 1 7 . 1 1 68 68 PHE N N 68 123.289 123.289 120.579 2.710 19586 4464 1 7 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.280 -0.440 19586 4465 1 7 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.813 -2.086 19586 4466 1 7 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.301 -1.729 19586 4467 1 7 . 1 1 68 68 PHE H H 68 8.757 8.757 7.584 1.173 19586 4468 1 7 . 1 1 69 69 LEU N N 69 118.867 118.867 117.213 1.654 19586 4469 1 7 . 1 1 69 69 LEU HA H 69 3.245 3.245 3.942 -0.697 19586 4470 1 7 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.564 -1.406 19586 4471 1 7 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.539 -3.284 19586 4472 1 7 . 1 1 69 69 LEU H H 69 8.403 8.403 8.246 0.157 19586 4473 1 7 . 1 1 70 70 THR N N 70 116.302 116.302 112.438 3.864 19586 4474 1 7 . 1 1 70 70 THR HA H 70 3.624 3.624 4.049 -0.425 19586 4475 1 7 . 1 1 70 70 THR CA C 70 63.843 63.843 64.918 -1.075 19586 4476 1 7 . 1 1 70 70 THR CB C 70 65.502 65.502 68.761 -3.259 19586 4477 1 7 . 1 1 70 70 THR H H 70 7.540 7.540 7.672 -0.132 19586 4478 1 7 . 1 1 71 71 MET N N 71 121.710 121.710 120.726 0.984 19586 4479 1 7 . 1 1 71 71 MET HA H 71 3.903 3.903 4.279 -0.376 19586 4480 1 7 . 1 1 71 71 MET CA C 71 56.303 56.303 57.447 -1.144 19586 4481 1 7 . 1 1 71 71 MET CB C 71 29.706 29.706 32.037 -2.331 19586 4482 1 7 . 1 1 71 71 MET H H 71 7.723 7.723 7.564 0.159 19586 4483 1 7 . 1 1 72 72 MET N N 72 116.535 116.535 117.702 -1.167 19586 4484 1 7 . 1 1 72 72 MET HA H 72 3.773 3.773 4.251 -0.478 19586 4485 1 7 . 1 1 72 72 MET CA C 72 53.307 53.307 56.590 -3.283 19586 4486 1 7 . 1 1 72 72 MET CB C 72 28.787 28.787 31.875 -3.088 19586 4487 1 7 . 1 1 72 72 MET H H 72 7.982 7.982 7.701 0.281 19586 4488 1 7 . 1 1 73 73 ALA N N 73 121.584 121.584 123.263 -1.679 19586 4489 1 7 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.005 -0.125 19586 4490 1 7 . 1 1 73 73 ALA CA C 73 52.095 52.095 55.203 -3.108 19586 4491 1 7 . 1 1 73 73 ALA CB C 73 15.342 15.342 17.941 -2.599 19586 4492 1 7 . 1 1 73 73 ALA H H 73 8.074 8.074 7.501 0.573 19586 4493 1 7 . 1 1 74 74 ARG N N 74 115.784 115.784 117.486 -1.702 19586 4494 1 7 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.093 -0.190 19586 4495 1 7 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.304 -2.573 19586 4496 1 7 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.108 -2.121 19586 4497 1 7 . 1 1 74 74 ARG H H 74 7.358 7.358 7.673 -0.315 19586 4498 1 7 . 1 1 75 75 LYS N N 75 117.245 117.245 117.733 -0.488 19586 4499 1 7 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.235 -0.286 19586 4500 1 7 . 1 1 75 75 LYS CA C 75 53.947 53.947 58.017 -4.070 19586 4501 1 7 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.589 -6.189 19586 4502 1 7 . 1 1 75 75 LYS H H 75 7.640 7.640 7.806 -0.166 19586 4503 1 7 . 1 1 76 76 MET N N 76 117.971 117.971 120.052 -2.081 19586 4504 1 7 . 1 1 76 76 MET HA H 76 4.242 4.242 4.388 -0.146 19586 4505 1 7 . 1 1 76 76 MET CA C 76 53.947 53.947 55.268 -1.321 19586 4506 1 7 . 1 1 76 76 MET CB C 76 29.478 29.478 31.556 -2.078 19586 4507 1 7 . 1 1 76 76 MET H H 76 7.794 7.794 7.803 -0.009 19586 4508 1 7 . 1 1 77 77 LYS N N 77 119.902 119.902 122.440 -2.538 19586 4509 1 7 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.353 -0.201 19586 4510 1 7 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.851 -1.568 19586 4511 1 7 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.579 -1.101 19586 4512 1 7 . 1 1 77 77 LYS H H 77 7.622 7.622 7.648 -0.026 19586 4513 1 7 . 1 1 78 78 ASP N N 78 119.146 119.146 121.912 -2.766 19586 4514 1 7 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.356 -0.113 19586 4515 1 7 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.730 -2.670 19586 4516 1 7 . 1 1 78 78 ASP H H 78 7.991 7.991 8.293 -0.302 19586 4517 1 7 . 1 1 79 79 THR N N 79 112.750 112.750 112.396 0.354 19586 4518 1 7 . 1 1 79 79 THR HA H 79 4.170 4.170 4.390 -0.220 19586 4519 1 7 . 1 1 79 79 THR CA C 79 59.030 59.030 62.002 -2.972 19586 4520 1 7 . 1 1 79 79 THR CB C 79 67.668 67.668 69.867 -2.199 19586 4521 1 7 . 1 1 79 79 THR H H 79 7.587 7.587 8.036 -0.449 19586 4522 1 7 . 1 1 80 80 ASP N N 80 122.888 122.888 123.061 -0.173 19586 4523 1 7 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.790 -0.419 19586 4524 1 7 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.138 -3.288 19586 4525 1 7 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.450 -5.097 19586 4526 1 7 . 1 1 80 80 ASP H H 80 8.354 8.354 8.548 -0.194 19586 4527 1 7 . 1 1 81 81 SER N N 81 117.571 117.571 116.178 1.393 19586 4528 1 7 . 1 1 81 81 SER HA H 81 4.115 4.115 4.252 -0.137 19586 4529 1 7 . 1 1 81 81 SER CA C 81 57.717 57.717 61.855 -4.138 19586 4530 1 7 . 1 1 81 81 SER CB C 81 60.884 60.884 63.592 -2.708 19586 4531 1 7 . 1 1 81 81 SER H H 81 8.232 8.232 8.673 -0.441 19586 4532 1 7 . 1 1 82 82 GLU N N 82 121.860 121.860 121.302 0.558 19586 4533 1 7 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.116 -0.233 19586 4534 1 7 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.429 -2.722 19586 4535 1 7 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.302 0.290 19586 4536 1 7 . 1 1 82 82 GLU H H 82 8.364 8.364 8.815 -0.451 19586 4537 1 7 . 1 1 83 83 GLU N N 83 119.398 119.398 117.440 1.958 19586 4538 1 7 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.110 -0.227 19586 4539 1 7 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.440 -2.834 19586 4540 1 7 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.422 -0.058 19586 4541 1 7 . 1 1 83 83 GLU H H 83 8.032 8.032 8.875 -0.843 19586 4542 1 7 . 1 1 84 84 GLU N N 84 118.279 118.279 119.081 -0.802 19586 4543 1 7 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.191 -0.320 19586 4544 1 7 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.571 -1.965 19586 4545 1 7 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.260 -3.443 19586 4546 1 7 . 1 1 84 84 GLU H H 84 8.153 8.153 7.819 0.334 19586 4547 1 7 . 1 1 85 85 ILE N N 85 120.970 120.970 120.722 0.248 19586 4548 1 7 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.966 -0.354 19586 4549 1 7 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.023 -0.584 19586 4550 1 7 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.449 -3.841 19586 4551 1 7 . 1 1 85 85 ILE H H 85 7.927 7.927 8.087 -0.160 19586 4552 1 7 . 1 1 86 86 ARG N N 86 121.766 121.766 118.180 3.586 19586 4553 1 7 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.229 -0.221 19586 4554 1 7 . 1 1 86 86 ARG CA C 86 57.515 57.515 58.205 -0.690 19586 4555 1 7 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.889 -3.033 19586 4556 1 7 . 1 1 86 86 ARG H H 86 8.233 8.233 8.248 -0.015 19586 4557 1 7 . 1 1 87 87 GLU N N 87 118.369 118.369 117.218 1.151 19586 4558 1 7 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.273 -0.371 19586 4559 1 7 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.522 -0.916 19586 4560 1 7 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.259 -3.442 19586 4561 1 7 . 1 1 87 87 GLU H H 87 8.156 8.156 7.698 0.458 19586 4562 1 7 . 1 1 88 88 ALA N N 88 120.337 120.337 119.376 0.961 19586 4563 1 7 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.594 -0.645 19586 4564 1 7 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.605 -0.342 19586 4565 1 7 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.099 -5.019 19586 4566 1 7 . 1 1 88 88 ALA H H 88 7.877 7.877 7.431 0.446 19586 4567 1 7 . 1 1 89 89 PHE N N 89 118.191 118.191 120.696 -2.505 19586 4568 1 7 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.277 -1.162 19586 4569 1 7 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.748 -2.045 19586 4570 1 7 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.742 -2.968 19586 4571 1 7 . 1 1 89 89 PHE H H 89 8.459 8.459 7.761 0.698 19586 4572 1 7 . 1 1 90 90 ARG N N 90 115.953 115.953 117.178 -1.225 19586 4573 1 7 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.742 -0.837 19586 4574 1 7 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.643 -2.475 19586 4575 1 7 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.029 -2.375 19586 4576 1 7 . 1 1 90 90 ARG H H 90 7.764 7.764 7.923 -0.159 19586 4577 1 7 . 1 1 91 91 VAL N N 91 118.202 118.202 116.761 1.441 19586 4578 1 7 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.896 -0.611 19586 4579 1 7 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.662 -1.305 19586 4580 1 7 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.797 -3.353 19586 4581 1 7 . 1 1 91 91 VAL H H 91 7.229 7.229 7.685 -0.456 19586 4582 1 7 . 1 1 92 92 PHE N N 92 112.447 112.447 119.143 -6.696 19586 4583 1 7 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.378 -0.433 19586 4584 1 7 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.791 -0.762 19586 4585 1 7 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.356 -1.518 19586 4586 1 7 . 1 1 92 92 PHE H H 92 6.699 6.699 7.556 -0.857 19586 4587 1 7 . 1 1 93 93 ASP N N 93 116.461 116.461 118.473 -2.012 19586 4588 1 7 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.422 0.054 19586 4589 1 7 . 1 1 93 93 ASP CA C 93 49.525 49.525 54.360 -4.835 19586 4590 1 7 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.751 -5.568 19586 4591 1 7 . 1 1 93 93 ASP H H 93 7.881 7.881 8.421 -0.540 19586 4592 1 7 . 1 1 94 94 LYS N N 94 125.494 125.494 123.645 1.849 19586 4593 1 7 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.031 -0.363 19586 4594 1 7 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.654 -2.678 19586 4595 1 7 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.337 -0.923 19586 4596 1 7 . 1 1 94 94 LYS H H 94 7.596 7.596 8.511 -0.915 19586 4597 1 7 . 1 1 95 95 ASP N N 95 114.015 114.015 116.401 -2.386 19586 4598 1 7 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.741 -0.326 19586 4599 1 7 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.736 -4.429 19586 4600 1 7 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.748 -5.974 19586 4601 1 7 . 1 1 95 95 ASP H H 95 8.097 8.097 8.046 0.051 19586 4602 1 7 . 1 1 96 96 GLY N N 96 109.147 109.147 109.006 0.141 19586 4603 1 7 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.298 -0.954 19586 4604 1 7 . 1 1 96 96 GLY H H 96 7.677 7.677 8.503 -0.826 19586 4605 1 7 . 1 1 97 97 ASN N N 97 119.575 119.575 118.771 0.804 19586 4606 1 7 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.854 -0.354 19586 4607 1 7 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.541 -2.625 19586 4608 1 7 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.045 -3.862 19586 4609 1 7 . 1 1 97 97 ASN H H 97 8.252 8.252 8.201 0.051 19586 4610 1 7 . 1 1 98 98 GLY N N 98 112.465 112.465 107.013 5.452 19586 4611 1 7 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.790 -3.498 19586 4612 1 7 . 1 1 98 98 GLY H H 98 10.462 10.462 8.490 1.972 19586 4613 1 7 . 1 1 99 99 TYR N N 99 116.256 116.256 118.468 -2.212 19586 4614 1 7 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.928 -0.046 19586 4615 1 7 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.723 -3.141 19586 4616 1 7 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.704 -1.723 19586 4617 1 7 . 1 1 99 99 TYR H H 99 7.557 7.557 7.711 -0.154 19586 4618 1 7 . 1 1 100 100 ILE N N 100 126.957 126.957 122.024 4.933 19586 4619 1 7 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.341 0.116 19586 4620 1 7 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.362 -1.746 19586 4621 1 7 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.490 -4.058 19586 4622 1 7 . 1 1 100 100 ILE H H 100 9.972 9.972 7.898 2.074 19586 4623 1 7 . 1 1 101 101 SER N N 101 123.739 123.739 122.142 1.597 19586 4624 1 7 . 1 1 101 101 SER HA H 101 4.711 4.711 4.417 0.294 19586 4625 1 7 . 1 1 101 101 SER CA C 101 52.897 52.897 58.589 -5.692 19586 4626 1 7 . 1 1 101 101 SER CB C 101 64.134 64.134 64.325 -0.191 19586 4627 1 7 . 1 1 101 101 SER H H 101 8.844 8.844 8.565 0.279 19586 4628 1 7 . 1 1 102 102 ALA N N 102 123.028 123.028 127.365 -4.337 19586 4629 1 7 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.223 -0.512 19586 4630 1 7 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.896 -1.803 19586 4631 1 7 . 1 1 102 102 ALA CB C 102 15.114 15.114 19.061 -3.947 19586 4632 1 7 . 1 1 102 102 ALA H H 102 9.178 9.178 8.641 0.537 19586 4633 1 7 . 1 1 103 103 ALA N N 103 118.443 118.443 119.306 -0.863 19586 4634 1 7 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.285 -0.424 19586 4635 1 7 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.816 -0.406 19586 4636 1 7 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.551 -2.095 19586 4637 1 7 . 1 1 103 103 ALA H H 103 8.132 8.132 8.332 -0.200 19586 4638 1 7 . 1 1 104 104 GLU N N 104 120.139 120.139 120.509 -0.370 19586 4639 1 7 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.090 -0.251 19586 4640 1 7 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.419 -2.856 19586 4641 1 7 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.407 -3.007 19586 4642 1 7 . 1 1 104 104 GLU H H 104 7.786 7.786 7.551 0.235 19586 4643 1 7 . 1 1 105 105 LEU N N 105 121.545 121.545 119.684 1.861 19586 4644 1 7 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.875 0.027 19586 4645 1 7 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.273 -1.541 19586 4646 1 7 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.559 -1.350 19586 4647 1 7 . 1 1 105 105 LEU H H 105 8.240 8.240 7.960 0.280 19586 4648 1 7 . 1 1 106 106 ARG N N 106 118.625 118.625 119.026 -0.401 19586 4649 1 7 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.936 -0.097 19586 4650 1 7 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.898 -1.553 19586 4651 1 7 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.644 0.746 19586 4652 1 7 . 1 1 106 106 ARG H H 106 8.761 8.761 8.289 0.472 19586 4653 1 7 . 1 1 107 107 HIS N N 107 119.052 119.052 118.008 1.044 19586 4654 1 7 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.440 -0.538 19586 4655 1 7 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.468 -2.661 19586 4656 1 7 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.394 -3.196 19586 4657 1 7 . 1 1 107 107 HIS H H 107 7.946 7.946 7.307 0.639 19586 4658 1 7 . 1 1 108 108 VAL N N 108 119.160 119.160 119.252 -0.092 19586 4659 1 7 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.819 -0.377 19586 4660 1 7 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.344 -1.059 19586 4661 1 7 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.290 -2.382 19586 4662 1 7 . 1 1 108 108 VAL H H 108 7.736 7.736 8.699 -0.963 19586 4663 1 7 . 1 1 109 109 MET N N 109 115.333 115.333 119.605 -4.272 19586 4664 1 7 . 1 1 109 109 MET HA H 109 4.139 4.139 3.988 0.151 19586 4665 1 7 . 1 1 109 109 MET CA C 109 54.686 54.686 59.154 -4.468 19586 4666 1 7 . 1 1 109 109 MET CB C 109 29.706 29.706 31.779 -2.073 19586 4667 1 7 . 1 1 109 109 MET H H 109 8.074 8.074 8.245 -0.171 19586 4668 1 7 . 1 1 110 110 THR N N 110 116.714 116.714 114.684 2.030 19586 4669 1 7 . 1 1 110 110 THR HA H 110 3.935 3.935 4.135 -0.200 19586 4670 1 7 . 1 1 110 110 THR CA C 110 63.845 63.845 65.911 -2.066 19586 4671 1 7 . 1 1 110 110 THR CB C 110 66.072 66.072 68.427 -2.355 19586 4672 1 7 . 1 1 110 110 THR H H 110 8.515 8.515 7.744 0.771 19586 4673 1 7 . 1 1 111 111 ASN N N 111 123.784 123.784 119.232 4.552 19586 4674 1 7 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.543 -0.301 19586 4675 1 7 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.189 -2.096 19586 4676 1 7 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.493 -3.201 19586 4677 1 7 . 1 1 111 111 ASN H H 111 7.890 7.890 7.811 0.079 19586 4678 1 7 . 1 1 112 112 LEU N N 112 118.227 118.227 117.317 0.910 19586 4679 1 7 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.236 -0.121 19586 4680 1 7 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.556 -1.903 19586 4681 1 7 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.096 -1.359 19586 4682 1 7 . 1 1 112 112 LEU H H 112 7.621 7.621 7.328 0.293 19586 4683 1 7 . 1 1 113 113 GLY N N 113 106.787 106.787 105.009 1.778 19586 4684 1 7 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.834 -2.298 19586 4685 1 7 . 1 1 113 113 GLY H H 113 7.701 7.701 7.446 0.255 19586 4686 1 7 . 1 1 114 114 GLU N N 114 120.288 120.288 119.560 0.728 19586 4687 1 7 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.547 -0.305 19586 4688 1 7 . 1 1 114 114 GLU CA C 114 52.067 52.067 54.290 -2.223 19586 4689 1 7 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.860 -4.244 19586 4690 1 7 . 1 1 114 114 GLU H H 114 7.864 7.864 7.696 0.168 19586 4691 1 7 . 1 1 115 115 LYS N N 115 124.987 124.987 126.748 -1.761 19586 4692 1 7 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.510 -0.287 19586 4693 1 7 . 1 1 115 115 LYS CA C 115 52.848 52.848 55.576 -2.728 19586 4694 1 7 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.643 -0.686 19586 4695 1 7 . 1 1 115 115 LYS H H 115 8.491 8.491 8.467 0.024 19586 4696 1 7 . 1 1 116 116 LEU N N 116 124.912 124.912 124.497 0.415 19586 4697 1 7 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.606 0.106 19586 4698 1 7 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.553 -2.464 19586 4699 1 7 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.513 -1.925 19586 4700 1 7 . 1 1 116 116 LEU H H 116 7.978 7.978 7.880 0.098 19586 4701 1 7 . 1 1 117 117 THR N N 117 114.220 114.220 115.019 -0.799 19586 4702 1 7 . 1 1 117 117 THR HA H 117 4.302 4.302 4.383 -0.081 19586 4703 1 7 . 1 1 117 117 THR CA C 117 57.834 57.834 60.305 -2.471 19586 4704 1 7 . 1 1 117 117 THR CB C 117 68.580 68.580 70.625 -2.045 19586 4705 1 7 . 1 1 117 117 THR H H 117 9.093 9.093 8.322 0.771 19586 4706 1 7 . 1 1 118 118 ASP N N 118 120.925 120.925 121.016 -0.091 19586 4707 1 7 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.281 -0.223 19586 4708 1 7 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.172 -2.929 19586 4709 1 7 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.947 -3.945 19586 4710 1 7 . 1 1 118 118 ASP H H 118 8.764 8.764 8.644 0.120 19586 4711 1 7 . 1 1 119 119 GLU N N 119 119.395 119.395 118.402 0.993 19586 4712 1 7 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.045 -0.118 19586 4713 1 7 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.100 -1.951 19586 4714 1 7 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.936 -3.005 19586 4715 1 7 . 1 1 119 119 GLU H H 119 8.509 8.509 8.654 -0.145 19586 4716 1 7 . 1 1 120 120 GLU N N 120 119.909 119.909 119.510 0.399 19586 4717 1 7 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.353 -0.457 19586 4718 1 7 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.149 -1.830 19586 4719 1 7 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.941 -4.111 19586 4720 1 7 . 1 1 120 120 GLU H H 120 7.585 7.585 7.835 -0.250 19586 4721 1 7 . 1 1 121 121 VAL N N 121 122.092 122.092 119.651 2.441 19586 4722 1 7 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.828 -0.386 19586 4723 1 7 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.619 -1.529 19586 4724 1 7 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.729 -3.049 19586 4725 1 7 . 1 1 121 121 VAL H H 121 7.849 7.849 7.456 0.393 19586 4726 1 7 . 1 1 122 122 ASP N N 122 120.167 120.167 120.700 -0.533 19586 4727 1 7 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.336 -0.179 19586 4728 1 7 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.010 -3.109 19586 4729 1 7 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.811 -3.239 19586 4730 1 7 . 1 1 122 122 ASP H H 122 7.912 7.912 8.451 -0.539 19586 4731 1 7 . 1 1 123 123 GLU N N 123 119.087 119.087 118.630 0.457 19586 4732 1 7 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.041 -0.145 19586 4733 1 7 . 1 1 123 123 GLU CA C 123 56.612 56.612 59.291 -2.679 19586 4734 1 7 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.424 -3.252 19586 4735 1 7 . 1 1 123 123 GLU H H 123 7.839 7.839 7.721 0.118 19586 4736 1 7 . 1 1 124 124 MET N N 124 118.897 118.897 117.042 1.855 19586 4737 1 7 . 1 1 124 124 MET HA H 124 3.867 3.867 4.288 -0.421 19586 4738 1 7 . 1 1 124 124 MET CA C 124 56.905 56.905 57.850 -0.945 19586 4739 1 7 . 1 1 124 124 MET CB C 124 29.250 29.250 32.379 -3.129 19586 4740 1 7 . 1 1 124 124 MET H H 124 7.433 7.433 7.389 0.043 19586 4741 1 7 . 1 1 125 125 ILE N N 125 118.001 118.001 116.574 1.427 19586 4742 1 7 . 1 1 125 125 ILE HA H 125 3.380 3.380 3.961 -0.581 19586 4743 1 7 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.866 -3.735 19586 4744 1 7 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.598 -4.358 19586 4745 1 7 . 1 1 125 125 ILE H H 125 7.658 7.658 7.462 0.196 19586 4746 1 7 . 1 1 126 126 ARG N N 126 117.720 117.720 120.107 -2.387 19586 4747 1 7 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.055 -0.172 19586 4748 1 7 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.288 -2.615 19586 4749 1 7 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.185 -0.707 19586 4750 1 7 . 1 1 126 126 ARG H H 126 7.974 7.974 8.469 -0.495 19586 4751 1 7 . 1 1 127 127 GLU N N 127 117.050 117.050 117.859 -0.809 19586 4752 1 7 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.190 -0.223 19586 4753 1 7 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.661 -2.342 19586 4754 1 7 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.706 -3.420 19586 4755 1 7 . 1 1 127 127 GLU H H 127 7.635 7.635 7.733 -0.098 19586 4756 1 7 . 1 1 128 128 ALA N N 128 116.966 116.966 119.846 -2.880 19586 4757 1 7 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.247 0.253 19586 4758 1 7 . 1 1 128 128 ALA CA C 128 48.205 48.205 53.029 -4.824 19586 4759 1 7 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.190 0.915 19586 4760 1 7 . 1 1 128 128 ALA H H 128 7.155 7.155 7.666 -0.511 19586 4761 1 7 . 1 1 129 129 ASP N N 129 118.033 118.033 118.715 -0.682 19586 4762 1 7 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.872 -0.521 19586 4763 1 7 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.176 -1.354 19586 4764 1 7 . 1 1 129 129 ASP CB C 129 37.686 37.686 42.112 -4.426 19586 4765 1 7 . 1 1 129 129 ASP H H 129 7.806 7.806 7.492 0.314 19586 4766 1 7 . 1 1 130 130 ILE N N 130 127.927 127.927 121.868 6.059 19586 4767 1 7 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.128 -0.331 19586 4768 1 7 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.792 -2.270 19586 4769 1 7 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.041 -1.951 19586 4770 1 7 . 1 1 130 130 ILE H H 130 8.115 8.115 8.542 -0.427 19586 4771 1 7 . 1 1 131 131 ASP N N 131 116.634 116.634 119.422 -2.788 19586 4772 1 7 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.742 -0.399 19586 4773 1 7 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.495 -2.308 19586 4774 1 7 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.245 -3.777 19586 4775 1 7 . 1 1 131 131 ASP H H 131 8.202 8.202 7.952 0.250 19586 4776 1 7 . 1 1 132 132 GLY N N 132 108.586 108.586 108.935 -0.349 19586 4777 1 7 . 1 1 132 132 GLY CA C 132 44.638 44.638 46.024 -1.386 19586 4778 1 7 . 1 1 132 132 GLY H H 132 7.535 7.535 7.465 0.070 19586 4779 1 7 . 1 1 133 133 ASP N N 133 120.377 120.377 120.228 0.149 19586 4780 1 7 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.597 -0.246 19586 4781 1 7 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.692 -3.750 19586 4782 1 7 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.291 -3.833 19586 4783 1 7 . 1 1 133 133 ASP H H 133 8.215 8.215 8.805 -0.590 19586 4784 1 7 . 1 1 134 134 GLY N N 134 112.226 112.226 107.242 4.984 19586 4785 1 7 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.321 -2.199 19586 4786 1 7 . 1 1 134 134 GLY H H 134 9.971 9.971 8.582 1.389 19586 4787 1 7 . 1 1 135 135 GLN N N 135 115.229 115.229 117.190 -1.961 19586 4788 1 7 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.893 -0.762 19586 4789 1 7 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.751 -4.297 19586 4790 1 7 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.032 -3.418 19586 4791 1 7 . 1 1 135 135 GLN H H 135 7.835 7.835 7.424 0.411 19586 4792 1 7 . 1 1 136 136 VAL N N 136 125.238 125.238 121.372 3.866 19586 4793 1 7 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.309 0.787 19586 4794 1 7 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.666 -1.952 19586 4795 1 7 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.023 -1.607 19586 4796 1 7 . 1 1 136 136 VAL H H 136 8.958 8.958 8.915 0.043 19586 4797 1 7 . 1 1 137 137 ASN N N 137 129.058 129.058 125.542 3.516 19586 4798 1 7 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.036 0.190 19586 4799 1 7 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.993 -4.641 19586 4800 1 7 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.819 -4.179 19586 4801 1 7 . 1 1 137 137 ASN H H 137 9.435 9.435 8.525 0.910 19586 4802 1 7 . 1 1 138 138 TYR N N 138 118.627 118.627 119.900 -1.273 19586 4803 1 7 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.620 -1.428 19586 4804 1 7 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.067 -1.398 19586 4805 1 7 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.902 -0.330 19586 4806 1 7 . 1 1 138 138 TYR H H 138 8.146 8.146 8.173 -0.027 19586 4807 1 7 . 1 1 139 139 GLU N N 139 118.701 118.701 119.115 -0.414 19586 4808 1 7 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.991 -0.480 19586 4809 1 7 . 1 1 139 139 GLU CA C 139 57.540 57.540 58.913 -1.373 19586 4810 1 7 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.851 -2.577 19586 4811 1 7 . 1 1 139 139 GLU H H 139 7.974 7.974 8.037 -0.063 19586 4812 1 7 . 1 1 140 140 GLU N N 140 119.774 119.774 119.760 0.014 19586 4813 1 7 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.117 -0.206 19586 4814 1 7 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.958 -2.933 19586 4815 1 7 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.369 -3.095 19586 4816 1 7 . 1 1 140 140 GLU H H 140 8.676 8.676 7.630 1.046 19586 4817 1 7 . 1 1 141 141 PHE N N 141 124.074 124.074 120.362 3.712 19586 4818 1 7 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.045 -0.398 19586 4819 1 7 . 1 1 141 141 PHE CA C 141 59.447 59.447 61.159 -1.712 19586 4820 1 7 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.974 -1.288 19586 4821 1 7 . 1 1 141 141 PHE H H 141 8.507 8.507 7.548 0.959 19586 4822 1 7 . 1 1 142 142 VAL N N 142 119.203 119.203 115.059 4.144 19586 4823 1 7 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.216 -0.258 19586 4824 1 7 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.366 -0.934 19586 4825 1 7 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.282 -2.374 19586 4826 1 7 . 1 1 142 142 VAL H H 142 8.639 8.639 7.295 1.344 19586 4827 1 7 . 1 1 143 143 GLN N N 143 120.173 120.173 120.254 -0.081 19586 4828 1 7 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.986 -0.315 19586 4829 1 7 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.730 -2.216 19586 4830 1 7 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.642 -3.396 19586 4831 1 7 . 1 1 143 143 GLN H H 143 7.818 7.818 7.528 0.290 19586 4832 1 7 . 1 1 144 144 MET N N 144 118.573 118.573 114.928 3.645 19586 4833 1 7 . 1 1 144 144 MET HA H 144 3.882 3.882 4.316 -0.434 19586 4834 1 7 . 1 1 144 144 MET CA C 144 55.683 55.683 56.556 -0.873 19586 4835 1 7 . 1 1 144 144 MET CB C 144 28.110 28.110 32.389 -4.279 19586 4836 1 7 . 1 1 144 144 MET H H 144 7.403 7.403 8.049 -0.646 19586 4837 1 7 . 1 1 145 145 MET N N 145 114.053 114.053 118.329 -4.276 19586 4838 1 7 . 1 1 145 145 MET HA H 145 3.940 3.940 4.270 -0.330 19586 4839 1 7 . 1 1 145 145 MET CA C 145 53.630 53.630 56.815 -3.185 19586 4840 1 7 . 1 1 145 145 MET CB C 145 29.592 29.592 32.056 -2.464 19586 4841 1 7 . 1 1 145 145 MET H H 145 7.534 7.534 7.396 0.138 19586 4842 1 7 . 1 1 146 146 THR N N 146 109.275 109.275 114.661 -5.386 19586 4843 1 7 . 1 1 146 146 THR HA H 146 4.175 4.175 4.118 0.057 19586 4844 1 7 . 1 1 146 146 THR CA C 146 59.251 59.251 64.422 -5.171 19586 4845 1 7 . 1 1 146 146 THR CB C 146 67.896 67.896 69.130 -1.234 19586 4846 1 7 . 1 1 146 146 THR H H 146 7.554 7.554 7.892 -0.338 19586 4847 1 7 . 1 1 147 147 ALA N N 147 126.913 126.913 122.800 4.113 19586 4848 1 7 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.560 -0.443 19586 4849 1 7 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.130 -0.823 19586 4850 1 7 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.279 -3.943 19586 4851 1 7 . 1 1 147 147 ALA H H 147 7.406 7.406 7.479 -0.073 19586 4852 1 8 . 1 1 2 2 ASP N N 2 120.378 120.378 122.508 -2.130 19586 4853 1 8 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.821 -0.236 19586 4854 1 8 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.121 -2.161 19586 4855 1 8 . 1 1 2 2 ASP H H 2 8.506 8.506 8.465 0.041 19586 4856 1 8 . 1 1 3 3 GLN N N 3 119.707 119.707 121.017 -1.310 19586 4857 1 8 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.605 -0.393 19586 4858 1 8 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.375 -2.640 19586 4859 1 8 . 1 1 3 3 GLN CB C 3 31.074 31.074 30.362 0.712 19586 4860 1 8 . 1 1 3 3 GLN H H 3 8.208 8.208 8.528 -0.320 19586 4861 1 8 . 1 1 4 4 LEU N N 4 123.069 123.069 118.834 4.235 19586 4862 1 8 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.857 -0.717 19586 4863 1 8 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.623 -3.965 19586 4864 1 8 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.631 -3.007 19586 4865 1 8 . 1 1 4 4 LEU H H 4 8.181 8.181 8.345 -0.164 19586 4866 1 8 . 1 1 5 5 THR N N 5 112.909 112.909 111.153 1.756 19586 4867 1 8 . 1 1 5 5 THR HA H 5 4.322 4.322 4.362 -0.040 19586 4868 1 8 . 1 1 5 5 THR CA C 5 57.687 57.687 62.376 -4.689 19586 4869 1 8 . 1 1 5 5 THR CB C 5 68.580 68.580 69.641 -1.062 19586 4870 1 8 . 1 1 5 5 THR H H 5 8.607 8.607 7.710 0.897 19586 4871 1 8 . 1 1 6 6 GLU N N 6 120.224 120.224 121.558 -1.334 19586 4872 1 8 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.178 -0.353 19586 4873 1 8 . 1 1 6 6 GLU CA C 6 57.247 57.247 58.455 -1.208 19586 4874 1 8 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.579 -0.443 19586 4875 1 8 . 1 1 6 6 GLU H H 6 8.877 8.877 8.571 0.306 19586 4876 1 8 . 1 1 7 7 GLU N N 7 119.350 119.350 119.125 0.225 19586 4877 1 8 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.151 -0.234 19586 4878 1 8 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.967 -1.769 19586 4879 1 8 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.349 -3.075 19586 4880 1 8 . 1 1 7 7 GLU H H 7 8.524 8.524 8.547 -0.023 19586 4881 1 8 . 1 1 8 8 GLN N N 8 119.917 119.917 115.898 4.019 19586 4882 1 8 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.585 -0.682 19586 4883 1 8 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.005 -2.029 19586 4884 1 8 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.379 -2.979 19586 4885 1 8 . 1 1 8 8 GLN H H 8 7.603 7.603 8.181 -0.578 19586 4886 1 8 . 1 1 9 9 ILE N N 9 119.503 119.503 117.065 2.438 19586 4887 1 8 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.182 -0.543 19586 4888 1 8 . 1 1 9 9 ILE CA C 9 63.796 63.796 62.279 1.517 19586 4889 1 8 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.706 -3.528 19586 4890 1 8 . 1 1 9 9 ILE H H 9 8.260 8.260 7.525 0.735 19586 4891 1 8 . 1 1 10 10 ALA N N 10 121.044 121.044 123.221 -2.177 19586 4892 1 8 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.085 -0.124 19586 4893 1 8 . 1 1 10 10 ALA CA C 10 52.702 52.702 55.151 -2.449 19586 4894 1 8 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.218 -3.104 19586 4895 1 8 . 1 1 10 10 ALA H H 10 7.840 7.840 8.227 -0.387 19586 4896 1 8 . 1 1 11 11 GLU N N 11 119.113 119.113 118.187 0.926 19586 4897 1 8 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.208 -0.300 19586 4898 1 8 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.482 -0.919 19586 4899 1 8 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.748 -3.348 19586 4900 1 8 . 1 1 11 11 GLU H H 11 7.635 7.635 7.997 -0.362 19586 4901 1 8 . 1 1 12 12 PHE N N 12 119.574 119.574 120.898 -1.324 19586 4902 1 8 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.326 0.460 19586 4903 1 8 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.990 -5.036 19586 4904 1 8 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.675 -4.611 19586 4905 1 8 . 1 1 12 12 PHE H H 12 8.441 8.441 8.228 0.213 19586 4906 1 8 . 1 1 13 13 LYS N N 13 123.454 123.454 118.423 5.031 19586 4907 1 8 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.378 -0.475 19586 4908 1 8 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.012 -0.716 19586 4909 1 8 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.105 -2.513 19586 4910 1 8 . 1 1 13 13 LYS H H 13 9.103 9.103 7.857 1.246 19586 4911 1 8 . 1 1 14 14 GLU N N 14 119.525 119.525 116.085 3.440 19586 4912 1 8 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.448 -0.537 19586 4913 1 8 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.669 -1.204 19586 4914 1 8 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.201 -3.700 19586 4915 1 8 . 1 1 14 14 GLU H H 14 7.667 7.667 8.062 -0.395 19586 4916 1 8 . 1 1 15 15 ALA N N 15 121.983 121.983 122.121 -0.138 19586 4917 1 8 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.179 -0.218 19586 4918 1 8 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.613 -1.862 19586 4919 1 8 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.886 -3.658 19586 4920 1 8 . 1 1 15 15 ALA H H 15 7.816 7.816 7.897 -0.081 19586 4921 1 8 . 1 1 16 16 PHE N N 16 118.874 118.874 119.359 -0.485 19586 4922 1 8 . 1 1 16 16 PHE HA H 16 3.095 3.095 3.995 -0.900 19586 4923 1 8 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.742 -1.198 19586 4924 1 8 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.036 -2.262 19586 4925 1 8 . 1 1 16 16 PHE H H 16 8.764 8.764 8.222 0.542 19586 4926 1 8 . 1 1 17 17 SER N N 17 111.578 111.578 112.428 -0.850 19586 4927 1 8 . 1 1 17 17 SER HA H 17 3.979 3.979 4.234 -0.255 19586 4928 1 8 . 1 1 17 17 SER CA C 17 58.567 58.567 60.162 -1.595 19586 4929 1 8 . 1 1 17 17 SER CB C 17 60.600 60.600 62.903 -2.303 19586 4930 1 8 . 1 1 17 17 SER H H 17 7.825 7.825 8.612 -0.787 19586 4931 1 8 . 1 1 18 18 LEU N N 18 121.167 121.167 120.506 0.661 19586 4932 1 8 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.003 -0.056 19586 4933 1 8 . 1 1 18 18 LEU CA C 18 54.608 54.608 56.786 -2.178 19586 4934 1 8 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.108 -2.470 19586 4935 1 8 . 1 1 18 18 LEU H H 18 7.240 7.240 7.296 -0.056 19586 4936 1 8 . 1 1 19 19 PHE N N 19 114.405 114.405 114.911 -0.506 19586 4937 1 8 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.443 -0.532 19586 4938 1 8 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.209 -1.962 19586 4939 1 8 . 1 1 19 19 PHE CB C 19 33.810 33.810 40.010 -6.200 19586 4940 1 8 . 1 1 19 19 PHE H H 19 7.090 7.090 7.232 -0.142 19586 4941 1 8 . 1 1 20 20 ASP N N 20 115.823 115.823 120.418 -4.595 19586 4942 1 8 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.468 0.008 19586 4943 1 8 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.899 -5.423 19586 4944 1 8 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.062 -2.280 19586 4945 1 8 . 1 1 20 20 ASP H H 20 7.662 7.662 8.010 -0.348 19586 4946 1 8 . 1 1 21 21 LYS N N 21 124.906 124.906 122.488 2.418 19586 4947 1 8 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.105 -0.319 19586 4948 1 8 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.851 -1.826 19586 4949 1 8 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.224 -2.524 19586 4950 1 8 . 1 1 21 21 LYS H H 21 7.539 7.539 8.005 -0.466 19586 4951 1 8 . 1 1 22 22 ASP N N 22 113.550 113.550 118.401 -4.851 19586 4952 1 8 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.633 -0.202 19586 4953 1 8 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.290 -5.325 19586 4954 1 8 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.294 -4.521 19586 4955 1 8 . 1 1 22 22 ASP H H 22 7.965 7.965 7.697 0.268 19586 4956 1 8 . 1 1 23 23 GLY N N 23 109.354 109.354 107.850 1.504 19586 4957 1 8 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.952 -1.510 19586 4958 1 8 . 1 1 23 23 GLY H H 23 7.606 7.606 8.762 -1.156 19586 4959 1 8 . 1 1 24 24 ASP N N 24 120.643 120.643 120.745 -0.102 19586 4960 1 8 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.801 -0.446 19586 4961 1 8 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.336 -3.296 19586 4962 1 8 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.299 -3.613 19586 4963 1 8 . 1 1 24 24 ASP H H 24 8.266 8.266 8.421 -0.155 19586 4964 1 8 . 1 1 25 25 GLY N N 25 113.205 113.205 107.233 5.972 19586 4965 1 8 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.328 -2.645 19586 4966 1 8 . 1 1 25 25 GLY H H 25 10.545 10.545 8.346 2.199 19586 4967 1 8 . 1 1 26 26 THR N N 26 112.852 112.852 109.429 3.423 19586 4968 1 8 . 1 1 26 26 THR HA H 26 5.170 5.170 5.879 -0.709 19586 4969 1 8 . 1 1 26 26 THR CA C 26 56.954 56.954 59.922 -2.968 19586 4970 1 8 . 1 1 26 26 THR CB C 26 69.948 69.948 72.022 -2.074 19586 4971 1 8 . 1 1 26 26 THR H H 26 8.020 8.020 7.506 0.514 19586 4972 1 8 . 1 1 27 27 ILE N N 27 127.005 127.005 119.693 7.312 19586 4973 1 8 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.465 -0.638 19586 4974 1 8 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.338 -1.407 19586 4975 1 8 . 1 1 27 27 ILE CB C 27 37.230 37.230 40.543 -3.313 19586 4976 1 8 . 1 1 27 27 ILE H H 27 9.689 9.689 7.895 1.794 19586 4977 1 8 . 1 1 28 28 THR N N 28 116.439 116.439 117.837 -1.398 19586 4978 1 8 . 1 1 28 28 THR HA H 28 4.642 4.642 4.321 0.321 19586 4979 1 8 . 1 1 28 28 THR CA C 28 56.612 56.612 62.927 -6.315 19586 4980 1 8 . 1 1 28 28 THR CB C 28 69.606 69.606 69.142 0.464 19586 4981 1 8 . 1 1 28 28 THR H H 28 8.275 8.275 8.741 -0.466 19586 4982 1 8 . 1 1 29 29 THR N N 29 113.287 113.287 120.564 -7.277 19586 4983 1 8 . 1 1 29 29 THR HA H 29 3.635 3.635 4.184 -0.549 19586 4984 1 8 . 1 1 29 29 THR CA C 29 63.845 63.845 62.844 1.000 19586 4985 1 8 . 1 1 29 29 THR CB C 29 65.616 65.616 68.659 -3.043 19586 4986 1 8 . 1 1 29 29 THR H H 29 9.054 9.054 8.746 0.308 19586 4987 1 8 . 1 1 30 30 LYS N N 30 121.230 121.230 119.083 2.147 19586 4988 1 8 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.262 -0.359 19586 4989 1 8 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.323 -1.858 19586 4990 1 8 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.422 -2.722 19586 4991 1 8 . 1 1 30 30 LYS H H 30 7.578 7.578 7.971 -0.393 19586 4992 1 8 . 1 1 31 31 GLU N N 31 122.002 122.002 119.011 2.991 19586 4993 1 8 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.273 -0.410 19586 4994 1 8 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.432 -0.283 19586 4995 1 8 . 1 1 31 31 GLU CB C 31 26.058 26.058 29.223 -3.165 19586 4996 1 8 . 1 1 31 31 GLU H H 31 7.712 7.712 7.975 -0.263 19586 4997 1 8 . 1 1 32 32 LEU N N 32 119.130 119.130 119.876 -0.746 19586 4998 1 8 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.097 -0.172 19586 4999 1 8 . 1 1 32 32 LEU CA C 32 55.529 55.529 57.676 -2.147 19586 5000 1 8 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.926 -0.945 19586 5001 1 8 . 1 1 32 32 LEU H H 32 8.509 8.509 7.881 0.628 19586 5002 1 8 . 1 1 33 33 GLY N N 33 103.747 103.747 105.246 -1.499 19586 5003 1 8 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.127 -0.463 19586 5004 1 8 . 1 1 33 33 GLY H H 33 8.388 8.388 8.021 0.367 19586 5005 1 8 . 1 1 34 34 THR N N 34 117.487 117.487 117.072 0.415 19586 5006 1 8 . 1 1 34 34 THR HA H 34 3.795 3.795 4.235 -0.440 19586 5007 1 8 . 1 1 34 34 THR CA C 34 64.285 64.285 63.328 0.957 19586 5008 1 8 . 1 1 34 34 THR CB C 34 66.186 66.186 68.871 -2.685 19586 5009 1 8 . 1 1 34 34 THR H H 34 7.935 7.935 8.153 -0.218 19586 5010 1 8 . 1 1 35 35 VAL N N 35 120.287 120.287 121.525 -1.238 19586 5011 1 8 . 1 1 35 35 VAL H H 35 7.089 7.089 7.399 -0.310 19586 5012 1 8 . 1 1 36 36 MET N N 36 117.816 117.816 116.807 1.009 19586 5013 1 8 . 1 1 36 36 MET HA H 36 3.911 3.911 4.121 -0.210 19586 5014 1 8 . 1 1 36 36 MET CA C 36 57.101 57.101 59.184 -2.083 19586 5015 1 8 . 1 1 36 36 MET CB C 36 29.929 29.929 32.182 -2.253 19586 5016 1 8 . 1 1 36 36 MET H H 36 8.318 8.318 8.006 0.312 19586 5017 1 8 . 1 1 37 37 ARG N N 37 117.706 117.706 117.638 0.068 19586 5018 1 8 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.163 0.535 19586 5019 1 8 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.376 -2.204 19586 5020 1 8 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.674 -2.590 19586 5021 1 8 . 1 1 37 37 ARG H H 37 8.233 8.233 8.435 -0.202 19586 5022 1 8 . 1 1 38 38 SER N N 38 118.974 118.974 113.977 4.997 19586 5023 1 8 . 1 1 38 38 SER HA H 38 4.187 4.187 4.449 -0.262 19586 5024 1 8 . 1 1 38 38 SER CA C 38 59.251 59.251 60.468 -1.217 19586 5025 1 8 . 1 1 38 38 SER CB C 38 67.782 67.782 63.814 3.968 19586 5026 1 8 . 1 1 38 38 SER H H 38 7.874 7.874 7.584 0.290 19586 5027 1 8 . 1 1 39 39 LEU N N 39 118.835 118.835 120.906 -2.071 19586 5028 1 8 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.416 -0.277 19586 5029 1 8 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.056 -3.723 19586 5030 1 8 . 1 1 39 39 LEU CB C 39 39.638 39.638 41.813 -2.175 19586 5031 1 8 . 1 1 39 39 LEU H H 39 7.248 7.248 7.828 -0.580 19586 5032 1 8 . 1 1 40 40 GLY N N 40 104.990 104.990 106.658 -1.668 19586 5033 1 8 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.584 -2.706 19586 5034 1 8 . 1 1 40 40 GLY H H 40 7.471 7.471 7.832 -0.361 19586 5035 1 8 . 1 1 41 41 GLN N N 41 118.032 118.032 118.364 -0.332 19586 5036 1 8 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.636 -0.266 19586 5037 1 8 . 1 1 41 41 GLN CA C 41 51.187 51.187 53.914 -2.727 19586 5038 1 8 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.373 -0.755 19586 5039 1 8 . 1 1 41 41 GLN H H 41 7.860 7.860 7.745 0.115 19586 5040 1 8 . 1 1 42 42 ASN N N 42 115.671 115.671 117.696 -2.025 19586 5041 1 8 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.095 -0.001 19586 5042 1 8 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.933 -2.239 19586 5043 1 8 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.931 -3.377 19586 5044 1 8 . 1 1 42 42 ASN H H 42 8.561 8.561 8.521 0.040 19586 5045 1 8 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.845 -0.134 19586 5046 1 8 . 1 1 44 44 THR N N 44 113.509 113.509 117.435 -3.926 19586 5047 1 8 . 1 1 44 44 THR HA H 44 4.321 4.321 4.488 -0.167 19586 5048 1 8 . 1 1 44 44 THR CA C 44 57.638 57.638 61.071 -3.433 19586 5049 1 8 . 1 1 44 44 THR CB C 44 68.466 68.466 67.871 0.595 19586 5050 1 8 . 1 1 44 44 THR H H 44 8.882 8.882 8.425 0.457 19586 5051 1 8 . 1 1 45 45 GLU N N 45 120.506 120.506 127.821 -7.315 19586 5052 1 8 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.909 -0.029 19586 5053 1 8 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.968 -2.867 19586 5054 1 8 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.749 -3.475 19586 5055 1 8 . 1 1 45 45 GLU H H 45 8.662 8.662 8.207 0.455 19586 5056 1 8 . 1 1 46 46 ALA N N 46 120.586 120.586 121.317 -0.731 19586 5057 1 8 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.120 -0.195 19586 5058 1 8 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.731 -2.420 19586 5059 1 8 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.116 -3.037 19586 5060 1 8 . 1 1 46 46 ALA H H 46 8.139 8.139 8.473 -0.334 19586 5061 1 8 . 1 1 47 47 GLU N N 47 118.171 118.171 116.890 1.281 19586 5062 1 8 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.178 -0.302 19586 5063 1 8 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.299 -2.029 19586 5064 1 8 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.564 -3.278 19586 5065 1 8 . 1 1 47 47 GLU H H 47 7.597 7.597 8.546 -0.949 19586 5066 1 8 . 1 1 48 48 LEU N N 48 120.228 120.228 116.705 3.523 19586 5067 1 8 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.355 -0.428 19586 5068 1 8 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.230 -2.182 19586 5069 1 8 . 1 1 48 48 LEU CB C 48 39.981 39.981 42.724 -2.743 19586 5070 1 8 . 1 1 48 48 LEU H H 48 7.848 7.848 7.385 0.463 19586 5071 1 8 . 1 1 49 49 GLN N N 49 117.910 117.910 117.341 0.569 19586 5072 1 8 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.038 -0.137 19586 5073 1 8 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.400 -2.668 19586 5074 1 8 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.439 -0.556 19586 5075 1 8 . 1 1 49 49 GLN H H 49 8.037 8.037 7.991 0.046 19586 5076 1 8 . 1 1 50 50 ASP N N 50 119.284 119.284 119.222 0.062 19586 5077 1 8 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.487 -0.330 19586 5078 1 8 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.291 -1.585 19586 5079 1 8 . 1 1 50 50 ASP CB C 50 37.572 37.572 41.102 -3.530 19586 5080 1 8 . 1 1 50 50 ASP H H 50 8.010 8.010 7.731 0.279 19586 5081 1 8 . 1 1 51 51 MET N N 51 119.245 119.245 116.235 3.010 19586 5082 1 8 . 1 1 51 51 MET HA H 51 3.923 3.923 4.443 -0.520 19586 5083 1 8 . 1 1 51 51 MET CA C 51 56.563 56.563 58.366 -1.803 19586 5084 1 8 . 1 1 51 51 MET CB C 51 29.478 29.478 33.920 -4.442 19586 5085 1 8 . 1 1 51 51 MET H H 51 7.614 7.614 7.650 -0.036 19586 5086 1 8 . 1 1 52 52 ILE N N 52 117.584 117.584 121.074 -3.490 19586 5087 1 8 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.691 -0.363 19586 5088 1 8 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.275 -3.385 19586 5089 1 8 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.774 -3.280 19586 5090 1 8 . 1 1 52 52 ILE H H 52 7.514 7.514 8.008 -0.493 19586 5091 1 8 . 1 1 53 53 ASN N N 53 117.126 117.126 117.581 -0.455 19586 5092 1 8 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.579 -0.357 19586 5093 1 8 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.405 -3.312 19586 5094 1 8 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.548 -3.256 19586 5095 1 8 . 1 1 53 53 ASN H H 53 8.418 8.418 7.806 0.612 19586 5096 1 8 . 1 1 54 54 GLU N N 54 116.380 116.380 116.062 0.318 19586 5097 1 8 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.239 -0.336 19586 5098 1 8 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.064 -1.941 19586 5099 1 8 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.364 -3.964 19586 5100 1 8 . 1 1 54 54 GLU H H 54 7.466 7.466 8.250 -0.784 19586 5101 1 8 . 1 1 55 55 VAL N N 55 108.622 108.622 111.884 -3.262 19586 5102 1 8 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.265 0.049 19586 5103 1 8 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.771 -3.595 19586 5104 1 8 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.975 -1.813 19586 5105 1 8 . 1 1 55 55 VAL H H 55 7.044 7.044 7.691 -0.647 19586 5106 1 8 . 1 1 56 56 ASP N N 56 121.430 121.430 121.360 0.070 19586 5107 1 8 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.623 -0.233 19586 5108 1 8 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.809 -1.818 19586 5109 1 8 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.220 -1.324 19586 5110 1 8 . 1 1 56 56 ASP H H 56 7.561 7.561 8.571 -1.010 19586 5111 1 8 . 1 1 57 57 ALA N N 57 131.840 131.840 124.411 7.429 19586 5112 1 8 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.130 -0.077 19586 5113 1 8 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.733 -3.253 19586 5114 1 8 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.018 -2.225 19586 5115 1 8 . 1 1 57 57 ALA H H 57 8.357 8.357 8.259 0.098 19586 5116 1 8 . 1 1 58 58 ASP N N 58 113.565 113.565 116.810 -3.245 19586 5117 1 8 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.721 -0.231 19586 5118 1 8 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.912 -2.996 19586 5119 1 8 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.101 -4.327 19586 5120 1 8 . 1 1 58 58 ASP H H 58 7.985 7.985 8.239 -0.254 19586 5121 1 8 . 1 1 59 59 GLY N N 59 108.187 108.187 108.565 -0.378 19586 5122 1 8 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.339 -1.847 19586 5123 1 8 . 1 1 59 59 GLY H H 59 7.424 7.424 7.816 -0.392 19586 5124 1 8 . 1 1 60 60 ASN N N 60 118.065 118.065 120.541 -2.476 19586 5125 1 8 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.748 -0.302 19586 5126 1 8 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.316 -3.547 19586 5127 1 8 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.930 -2.376 19586 5128 1 8 . 1 1 60 60 ASN H H 60 7.919 7.919 8.448 -0.529 19586 5129 1 8 . 1 1 61 61 GLY N N 61 113.247 113.247 106.622 6.625 19586 5130 1 8 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.295 -3.417 19586 5131 1 8 . 1 1 61 61 GLY H H 61 10.485 10.485 8.614 1.871 19586 5132 1 8 . 1 1 62 62 THR N N 62 108.699 108.699 113.326 -4.627 19586 5133 1 8 . 1 1 62 62 THR HA H 62 4.580 4.580 4.483 0.097 19586 5134 1 8 . 1 1 62 62 THR CA C 62 56.661 56.661 60.516 -3.855 19586 5135 1 8 . 1 1 62 62 THR H H 62 7.511 7.511 7.745 -0.234 19586 5136 1 8 . 1 1 63 63 ILE N N 63 122.834 122.834 121.032 1.802 19586 5137 1 8 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.511 0.543 19586 5138 1 8 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.299 -2.198 19586 5139 1 8 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.366 -4.022 19586 5140 1 8 . 1 1 63 63 ILE H H 63 8.741 8.741 8.244 0.497 19586 5141 1 8 . 1 1 64 64 ASP N N 64 127.818 127.818 126.361 1.457 19586 5142 1 8 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.226 0.012 19586 5143 1 8 . 1 1 64 64 ASP CA C 64 49.378 49.378 53.329 -3.951 19586 5144 1 8 . 1 1 64 64 ASP CB C 64 36.782 36.782 42.979 -6.197 19586 5145 1 8 . 1 1 64 64 ASP H H 64 8.702 8.702 8.573 0.129 19586 5146 1 8 . 1 1 65 65 PHE N N 65 118.653 118.653 118.859 -0.206 19586 5147 1 8 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.317 -0.456 19586 5148 1 8 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.329 -2.612 19586 5149 1 8 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.450 -4.324 19586 5150 1 8 . 1 1 65 65 PHE H H 65 8.847 8.847 8.874 -0.027 19586 5151 1 8 . 1 1 67 67 GLU N N 67 117.631 117.631 116.083 1.548 19586 5152 1 8 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.260 -0.357 19586 5153 1 8 . 1 1 67 67 GLU CA C 67 56.337 56.337 57.795 -1.458 19586 5154 1 8 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.543 -2.498 19586 5155 1 8 . 1 1 67 67 GLU H H 67 7.940 7.940 8.892 -0.952 19586 5156 1 8 . 1 1 68 68 PHE N N 68 123.289 123.289 120.903 2.386 19586 5157 1 8 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.331 -0.491 19586 5158 1 8 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.462 -2.735 19586 5159 1 8 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.626 -2.054 19586 5160 1 8 . 1 1 68 68 PHE H H 68 8.757 8.757 7.611 1.146 19586 5161 1 8 . 1 1 69 69 LEU N N 69 118.867 118.867 116.406 2.461 19586 5162 1 8 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.194 -0.949 19586 5163 1 8 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.742 -1.584 19586 5164 1 8 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.513 -3.257 19586 5165 1 8 . 1 1 69 69 LEU H H 69 8.403 8.403 8.134 0.269 19586 5166 1 8 . 1 1 70 70 THR N N 70 116.302 116.302 111.498 4.804 19586 5167 1 8 . 1 1 70 70 THR HA H 70 3.624 3.624 4.108 -0.484 19586 5168 1 8 . 1 1 70 70 THR CA C 70 63.843 63.843 64.915 -1.072 19586 5169 1 8 . 1 1 70 70 THR CB C 70 65.502 65.502 68.779 -3.277 19586 5170 1 8 . 1 1 70 70 THR H H 70 7.540 7.540 8.021 -0.481 19586 5171 1 8 . 1 1 71 71 MET N N 71 121.710 121.710 119.214 2.496 19586 5172 1 8 . 1 1 71 71 MET HA H 71 3.903 3.903 4.384 -0.481 19586 5173 1 8 . 1 1 71 71 MET CA C 71 56.303 56.303 57.446 -1.143 19586 5174 1 8 . 1 1 71 71 MET CB C 71 29.706 29.706 31.518 -1.812 19586 5175 1 8 . 1 1 71 71 MET H H 71 7.723 7.723 7.336 0.387 19586 5176 1 8 . 1 1 72 72 MET N N 72 116.535 116.535 118.747 -2.212 19586 5177 1 8 . 1 1 72 72 MET HA H 72 3.773 3.773 4.289 -0.516 19586 5178 1 8 . 1 1 72 72 MET CA C 72 53.307 53.307 55.537 -2.230 19586 5179 1 8 . 1 1 72 72 MET CB C 72 28.787 28.787 31.749 -2.962 19586 5180 1 8 . 1 1 72 72 MET H H 72 7.982 7.982 7.616 0.366 19586 5181 1 8 . 1 1 73 73 ALA N N 73 121.584 121.584 123.138 -1.554 19586 5182 1 8 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.064 -0.184 19586 5183 1 8 . 1 1 73 73 ALA CA C 73 52.095 52.095 55.063 -2.968 19586 5184 1 8 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.148 -2.806 19586 5185 1 8 . 1 1 73 73 ALA H H 73 8.074 8.074 7.425 0.649 19586 5186 1 8 . 1 1 74 74 ARG N N 74 115.784 115.784 116.605 -0.821 19586 5187 1 8 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.097 -0.194 19586 5188 1 8 . 1 1 74 74 ARG CA C 74 55.731 55.731 57.899 -2.168 19586 5189 1 8 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.104 -2.117 19586 5190 1 8 . 1 1 74 74 ARG H H 74 7.358 7.358 7.817 -0.459 19586 5191 1 8 . 1 1 75 75 LYS N N 75 117.245 117.245 117.289 -0.044 19586 5192 1 8 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.223 -0.274 19586 5193 1 8 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.819 -3.872 19586 5194 1 8 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.993 -6.593 19586 5195 1 8 . 1 1 75 75 LYS H H 75 7.640 7.640 7.968 -0.328 19586 5196 1 8 . 1 1 76 76 MET N N 76 117.971 117.971 120.309 -2.338 19586 5197 1 8 . 1 1 76 76 MET HA H 76 4.242 4.242 4.429 -0.187 19586 5198 1 8 . 1 1 76 76 MET CA C 76 53.947 53.947 55.629 -1.682 19586 5199 1 8 . 1 1 76 76 MET CB C 76 29.478 29.478 31.706 -2.228 19586 5200 1 8 . 1 1 76 76 MET H H 76 7.794 7.794 8.111 -0.317 19586 5201 1 8 . 1 1 77 77 LYS N N 77 119.902 119.902 121.697 -1.795 19586 5202 1 8 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.369 -0.217 19586 5203 1 8 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.079 -1.796 19586 5204 1 8 . 1 1 77 77 LYS CB C 77 29.478 29.478 31.586 -2.108 19586 5205 1 8 . 1 1 77 77 LYS H H 77 7.622 7.622 8.083 -0.461 19586 5206 1 8 . 1 1 78 78 ASP N N 78 119.146 119.146 116.836 2.310 19586 5207 1 8 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.265 -0.022 19586 5208 1 8 . 1 1 78 78 ASP CA C 78 52.061 52.061 57.115 -5.054 19586 5209 1 8 . 1 1 78 78 ASP H H 78 7.991 7.991 8.786 -0.795 19586 5210 1 8 . 1 1 79 79 THR N N 79 112.750 112.750 113.428 -0.678 19586 5211 1 8 . 1 1 79 79 THR HA H 79 4.170 4.170 4.359 -0.189 19586 5212 1 8 . 1 1 79 79 THR CA C 79 59.030 59.030 61.950 -2.920 19586 5213 1 8 . 1 1 79 79 THR CB C 79 67.668 67.668 68.027 -0.359 19586 5214 1 8 . 1 1 79 79 THR H H 79 7.587 7.587 8.102 -0.515 19586 5215 1 8 . 1 1 80 80 ASP N N 80 122.888 122.888 122.781 0.107 19586 5216 1 8 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.820 -0.449 19586 5217 1 8 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.217 -3.367 19586 5218 1 8 . 1 1 80 80 ASP CB C 80 37.353 37.353 41.911 -4.558 19586 5219 1 8 . 1 1 80 80 ASP H H 80 8.354 8.354 7.872 0.482 19586 5220 1 8 . 1 1 81 81 SER N N 81 117.571 117.571 119.842 -2.271 19586 5221 1 8 . 1 1 81 81 SER HA H 81 4.115 4.115 4.403 -0.288 19586 5222 1 8 . 1 1 81 81 SER CA C 81 57.717 57.717 59.538 -1.821 19586 5223 1 8 . 1 1 81 81 SER CB C 81 60.884 60.884 63.769 -2.885 19586 5224 1 8 . 1 1 81 81 SER H H 81 8.232 8.232 8.509 -0.277 19586 5225 1 8 . 1 1 82 82 GLU N N 82 121.860 121.860 121.034 0.826 19586 5226 1 8 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.261 -0.378 19586 5227 1 8 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.225 -1.518 19586 5228 1 8 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.433 0.159 19586 5229 1 8 . 1 1 82 82 GLU H H 82 8.364 8.364 8.581 -0.217 19586 5230 1 8 . 1 1 83 83 GLU N N 83 119.398 119.398 118.345 1.053 19586 5231 1 8 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.063 -0.180 19586 5232 1 8 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.617 -3.010 19586 5233 1 8 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.325 0.039 19586 5234 1 8 . 1 1 83 83 GLU H H 83 8.032 8.032 8.862 -0.830 19586 5235 1 8 . 1 1 84 84 GLU N N 84 118.279 118.279 116.752 1.527 19586 5236 1 8 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.204 -0.333 19586 5237 1 8 . 1 1 84 84 GLU CA C 84 56.606 56.606 57.921 -1.315 19586 5238 1 8 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.703 -3.886 19586 5239 1 8 . 1 1 84 84 GLU H H 84 8.153 8.153 7.802 0.351 19586 5240 1 8 . 1 1 85 85 ILE N N 85 120.970 120.970 118.312 2.658 19586 5241 1 8 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.938 -0.326 19586 5242 1 8 . 1 1 85 85 ILE CA C 85 63.439 63.439 63.925 -0.486 19586 5243 1 8 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.716 -4.108 19586 5244 1 8 . 1 1 85 85 ILE H H 85 7.927 7.927 7.272 0.655 19586 5245 1 8 . 1 1 86 86 ARG N N 86 121.766 121.766 118.542 3.224 19586 5246 1 8 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.192 -0.184 19586 5247 1 8 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.227 -1.712 19586 5248 1 8 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.812 -2.956 19586 5249 1 8 . 1 1 86 86 ARG H H 86 8.233 8.233 8.710 -0.477 19586 5250 1 8 . 1 1 87 87 GLU N N 87 118.369 118.369 120.092 -1.723 19586 5251 1 8 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.266 -0.364 19586 5252 1 8 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.037 -1.431 19586 5253 1 8 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.348 -3.531 19586 5254 1 8 . 1 1 87 87 GLU H H 87 8.156 8.156 7.960 0.196 19586 5255 1 8 . 1 1 88 88 ALA N N 88 120.337 120.337 119.979 0.358 19586 5256 1 8 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.673 -0.724 19586 5257 1 8 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.604 -0.341 19586 5258 1 8 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.961 -4.881 19586 5259 1 8 . 1 1 88 88 ALA H H 88 7.877 7.877 7.603 0.274 19586 5260 1 8 . 1 1 89 89 PHE N N 89 118.191 118.191 121.567 -3.376 19586 5261 1 8 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.447 -1.332 19586 5262 1 8 . 1 1 89 89 PHE CA C 89 59.703 59.703 62.080 -2.377 19586 5263 1 8 . 1 1 89 89 PHE CB C 89 36.774 36.774 40.253 -3.479 19586 5264 1 8 . 1 1 89 89 PHE H H 89 8.459 8.459 8.067 0.392 19586 5265 1 8 . 1 1 90 90 ARG N N 90 115.953 115.953 117.293 -1.340 19586 5266 1 8 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.620 -0.715 19586 5267 1 8 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.490 -2.322 19586 5268 1 8 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.919 -2.265 19586 5269 1 8 . 1 1 90 90 ARG H H 90 7.764 7.764 7.971 -0.207 19586 5270 1 8 . 1 1 91 91 VAL N N 91 118.202 118.202 116.923 1.279 19586 5271 1 8 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.981 -0.696 19586 5272 1 8 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.019 -1.661 19586 5273 1 8 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.894 -3.450 19586 5274 1 8 . 1 1 91 91 VAL H H 91 7.229 7.229 7.522 -0.293 19586 5275 1 8 . 1 1 92 92 PHE N N 92 112.447 112.447 119.182 -6.735 19586 5276 1 8 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.273 -0.328 19586 5277 1 8 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.996 -0.967 19586 5278 1 8 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.706 -1.868 19586 5279 1 8 . 1 1 92 92 PHE H H 92 6.699 6.699 7.336 -0.637 19586 5280 1 8 . 1 1 93 93 ASP N N 93 116.461 116.461 118.461 -2.000 19586 5281 1 8 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.451 0.025 19586 5282 1 8 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.875 -4.350 19586 5283 1 8 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.488 -5.305 19586 5284 1 8 . 1 1 93 93 ASP H H 93 7.881 7.881 8.301 -0.420 19586 5285 1 8 . 1 1 94 94 LYS N N 94 125.494 125.494 123.686 1.808 19586 5286 1 8 . 1 1 94 94 LYS HA H 94 3.668 3.668 3.934 -0.266 19586 5287 1 8 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.775 -2.799 19586 5288 1 8 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.312 -0.898 19586 5289 1 8 . 1 1 94 94 LYS H H 94 7.596 7.596 8.350 -0.753 19586 5290 1 8 . 1 1 95 95 ASP N N 95 114.015 114.015 116.281 -2.266 19586 5291 1 8 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.559 -0.144 19586 5292 1 8 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.144 -3.837 19586 5293 1 8 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.892 -5.118 19586 5294 1 8 . 1 1 95 95 ASP H H 95 8.097 8.097 7.934 0.163 19586 5295 1 8 . 1 1 96 96 GLY N N 96 109.147 109.147 110.129 -0.982 19586 5296 1 8 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.099 -0.755 19586 5297 1 8 . 1 1 96 96 GLY H H 96 7.677 7.677 8.552 -0.875 19586 5298 1 8 . 1 1 97 97 ASN N N 97 119.575 119.575 118.403 1.172 19586 5299 1 8 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.927 -0.427 19586 5300 1 8 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.605 -2.689 19586 5301 1 8 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.954 -3.771 19586 5302 1 8 . 1 1 97 97 ASN H H 97 8.252 8.252 8.218 0.034 19586 5303 1 8 . 1 1 98 98 GLY N N 98 112.465 112.465 107.461 5.004 19586 5304 1 8 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.853 -3.561 19586 5305 1 8 . 1 1 98 98 GLY H H 98 10.462 10.462 8.310 2.152 19586 5306 1 8 . 1 1 99 99 TYR N N 99 116.256 116.256 118.825 -2.569 19586 5307 1 8 . 1 1 99 99 TYR HA H 99 4.882 4.882 5.000 -0.118 19586 5308 1 8 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.548 -2.966 19586 5309 1 8 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.952 -1.971 19586 5310 1 8 . 1 1 99 99 TYR H H 99 7.557 7.557 7.683 -0.126 19586 5311 1 8 . 1 1 100 100 ILE N N 100 126.957 126.957 121.911 5.046 19586 5312 1 8 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.229 0.228 19586 5313 1 8 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.695 -2.079 19586 5314 1 8 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.269 -3.837 19586 5315 1 8 . 1 1 100 100 ILE H H 100 9.972 9.972 9.151 0.821 19586 5316 1 8 . 1 1 101 101 SER N N 101 123.739 123.739 124.024 -0.285 19586 5317 1 8 . 1 1 101 101 SER HA H 101 4.711 4.711 4.436 0.275 19586 5318 1 8 . 1 1 101 101 SER CA C 101 52.897 52.897 58.170 -5.273 19586 5319 1 8 . 1 1 101 101 SER CB C 101 64.134 64.134 64.361 -0.226 19586 5320 1 8 . 1 1 101 101 SER H H 101 8.844 8.844 8.526 0.318 19586 5321 1 8 . 1 1 102 102 ALA N N 102 123.028 123.028 126.383 -3.355 19586 5322 1 8 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.193 -0.482 19586 5323 1 8 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.782 -1.689 19586 5324 1 8 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.705 -3.591 19586 5325 1 8 . 1 1 102 102 ALA H H 102 9.178 9.178 8.614 0.564 19586 5326 1 8 . 1 1 103 103 ALA N N 103 118.443 118.443 119.724 -1.281 19586 5327 1 8 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.403 -0.542 19586 5328 1 8 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.692 -0.283 19586 5329 1 8 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.715 -2.259 19586 5330 1 8 . 1 1 103 103 ALA H H 103 8.132 8.132 8.325 -0.193 19586 5331 1 8 . 1 1 104 104 GLU N N 104 120.139 120.139 119.844 0.295 19586 5332 1 8 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.031 -0.192 19586 5333 1 8 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.867 -2.304 19586 5334 1 8 . 1 1 104 104 GLU CB C 104 26.400 26.400 28.679 -2.279 19586 5335 1 8 . 1 1 104 104 GLU H H 104 7.786 7.786 7.587 0.199 19586 5336 1 8 . 1 1 105 105 LEU N N 105 121.545 121.545 120.781 0.764 19586 5337 1 8 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.847 0.055 19586 5338 1 8 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.459 -1.727 19586 5339 1 8 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.415 -1.206 19586 5340 1 8 . 1 1 105 105 LEU H H 105 8.240 8.240 7.723 0.517 19586 5341 1 8 . 1 1 106 106 ARG N N 106 118.625 118.625 118.134 0.491 19586 5342 1 8 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.990 -0.151 19586 5343 1 8 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.980 -1.635 19586 5344 1 8 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.359 1.031 19586 5345 1 8 . 1 1 106 106 ARG H H 106 8.761 8.761 8.179 0.582 19586 5346 1 8 . 1 1 107 107 HIS N N 107 119.052 119.052 118.405 0.647 19586 5347 1 8 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.460 -0.558 19586 5348 1 8 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.463 -2.656 19586 5349 1 8 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.711 -3.513 19586 5350 1 8 . 1 1 107 107 HIS H H 107 7.946 7.946 7.287 0.659 19586 5351 1 8 . 1 1 108 108 VAL N N 108 119.160 119.160 120.096 -0.936 19586 5352 1 8 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.723 -0.281 19586 5353 1 8 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.129 -1.843 19586 5354 1 8 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.623 -2.716 19586 5355 1 8 . 1 1 108 108 VAL H H 108 7.736 7.736 8.875 -1.139 19586 5356 1 8 . 1 1 109 109 MET N N 109 115.333 115.333 117.737 -2.404 19586 5357 1 8 . 1 1 109 109 MET HA H 109 4.139 4.139 4.108 0.031 19586 5358 1 8 . 1 1 109 109 MET CA C 109 54.686 54.686 57.671 -2.985 19586 5359 1 8 . 1 1 109 109 MET CB C 109 29.706 29.706 31.170 -1.464 19586 5360 1 8 . 1 1 109 109 MET H H 109 8.074 8.074 8.302 -0.228 19586 5361 1 8 . 1 1 110 110 THR N N 110 116.714 116.714 113.265 3.449 19586 5362 1 8 . 1 1 110 110 THR HA H 110 3.935 3.935 4.156 -0.221 19586 5363 1 8 . 1 1 110 110 THR CA C 110 63.845 63.845 65.319 -1.474 19586 5364 1 8 . 1 1 110 110 THR CB C 110 66.072 66.072 67.956 -1.884 19586 5365 1 8 . 1 1 110 110 THR H H 110 8.515 8.515 7.440 1.075 19586 5366 1 8 . 1 1 111 111 ASN N N 111 123.784 123.784 118.204 5.580 19586 5367 1 8 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.514 -0.272 19586 5368 1 8 . 1 1 111 111 ASN CA C 111 53.093 53.093 54.684 -1.591 19586 5369 1 8 . 1 1 111 111 ASN CB C 111 35.292 35.292 37.745 -2.453 19586 5370 1 8 . 1 1 111 111 ASN H H 111 7.890 7.890 8.201 -0.311 19586 5371 1 8 . 1 1 112 112 LEU N N 112 118.227 118.227 118.876 -0.649 19586 5372 1 8 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.232 -0.117 19586 5373 1 8 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.681 -2.028 19586 5374 1 8 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.248 -2.510 19586 5375 1 8 . 1 1 112 112 LEU H H 112 7.621 7.621 7.530 0.091 19586 5376 1 8 . 1 1 113 113 GLY N N 113 106.787 106.787 105.114 1.673 19586 5377 1 8 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.931 -2.395 19586 5378 1 8 . 1 1 113 113 GLY H H 113 7.701 7.701 7.503 0.198 19586 5379 1 8 . 1 1 114 114 GLU N N 114 120.288 120.288 119.371 0.917 19586 5380 1 8 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.524 -0.282 19586 5381 1 8 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.806 -1.739 19586 5382 1 8 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.268 -3.652 19586 5383 1 8 . 1 1 114 114 GLU H H 114 7.864 7.864 7.585 0.279 19586 5384 1 8 . 1 1 115 115 LYS N N 115 124.987 124.987 126.502 -1.515 19586 5385 1 8 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.351 -0.128 19586 5386 1 8 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.839 -3.991 19586 5387 1 8 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.526 -0.569 19586 5388 1 8 . 1 1 115 115 LYS H H 115 8.491 8.491 8.588 -0.097 19586 5389 1 8 . 1 1 116 116 LEU N N 116 124.912 124.912 123.634 1.278 19586 5390 1 8 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.830 -0.118 19586 5391 1 8 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.504 -2.415 19586 5392 1 8 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.005 -1.417 19586 5393 1 8 . 1 1 116 116 LEU H H 116 7.978 7.978 7.778 0.200 19586 5394 1 8 . 1 1 117 117 THR N N 117 114.220 114.220 113.438 0.782 19586 5395 1 8 . 1 1 117 117 THR HA H 117 4.302 4.302 4.409 -0.107 19586 5396 1 8 . 1 1 117 117 THR CA C 117 57.834 57.834 60.693 -2.859 19586 5397 1 8 . 1 1 117 117 THR CB C 117 68.580 68.580 70.425 -1.845 19586 5398 1 8 . 1 1 117 117 THR H H 117 9.093 9.093 8.243 0.850 19586 5399 1 8 . 1 1 118 118 ASP N N 118 120.925 120.925 120.255 0.670 19586 5400 1 8 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.233 -0.175 19586 5401 1 8 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.033 -2.790 19586 5402 1 8 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.840 -3.838 19586 5403 1 8 . 1 1 118 118 ASP H H 118 8.764 8.764 8.598 0.166 19586 5404 1 8 . 1 1 119 119 GLU N N 119 119.395 119.395 117.983 1.412 19586 5405 1 8 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.956 -0.029 19586 5406 1 8 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.202 -2.053 19586 5407 1 8 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.896 -2.965 19586 5408 1 8 . 1 1 119 119 GLU H H 119 8.509 8.509 8.630 -0.121 19586 5409 1 8 . 1 1 120 120 GLU N N 120 119.909 119.909 118.721 1.188 19586 5410 1 8 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.188 -0.292 19586 5411 1 8 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.629 -2.310 19586 5412 1 8 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.752 -3.922 19586 5413 1 8 . 1 1 120 120 GLU H H 120 7.585 7.585 7.667 -0.082 19586 5414 1 8 . 1 1 121 121 VAL N N 121 122.092 122.092 117.093 4.999 19586 5415 1 8 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.917 -0.475 19586 5416 1 8 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.315 -1.225 19586 5417 1 8 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.118 -2.438 19586 5418 1 8 . 1 1 121 121 VAL H H 121 7.849 7.849 7.138 0.711 19586 5419 1 8 . 1 1 122 122 ASP N N 122 120.167 120.167 121.064 -0.897 19586 5420 1 8 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.314 -0.157 19586 5421 1 8 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.228 -3.327 19586 5422 1 8 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.888 -3.316 19586 5423 1 8 . 1 1 122 122 ASP H H 122 7.912 7.912 8.681 -0.769 19586 5424 1 8 . 1 1 123 123 GLU N N 123 119.087 119.087 118.738 0.349 19586 5425 1 8 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.143 -0.247 19586 5426 1 8 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.942 -2.330 19586 5427 1 8 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.651 -3.479 19586 5428 1 8 . 1 1 123 123 GLU H H 123 7.839 7.839 7.639 0.200 19586 5429 1 8 . 1 1 124 124 MET N N 124 118.897 118.897 116.871 2.026 19586 5430 1 8 . 1 1 124 124 MET HA H 124 3.867 3.867 4.277 -0.410 19586 5431 1 8 . 1 1 124 124 MET CA C 124 56.905 56.905 58.781 -1.876 19586 5432 1 8 . 1 1 124 124 MET CB C 124 29.250 29.250 33.403 -4.153 19586 5433 1 8 . 1 1 124 124 MET H H 124 7.433 7.433 7.414 0.019 19586 5434 1 8 . 1 1 125 125 ILE N N 125 118.001 118.001 112.624 5.377 19586 5435 1 8 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.271 -0.891 19586 5436 1 8 . 1 1 125 125 ILE CA C 125 60.131 60.131 62.288 -2.157 19586 5437 1 8 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.820 -5.580 19586 5438 1 8 . 1 1 125 125 ILE H H 125 7.658 7.658 7.974 -0.316 19586 5439 1 8 . 1 1 126 126 ARG N N 126 117.720 117.720 119.883 -2.163 19586 5440 1 8 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.089 -0.206 19586 5441 1 8 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.600 -2.928 19586 5442 1 8 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.295 -0.817 19586 5443 1 8 . 1 1 126 126 ARG H H 126 7.974 7.974 8.287 -0.313 19586 5444 1 8 . 1 1 127 127 GLU N N 127 117.050 117.050 117.596 -0.546 19586 5445 1 8 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.232 -0.265 19586 5446 1 8 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.236 -1.917 19586 5447 1 8 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.731 -3.445 19586 5448 1 8 . 1 1 127 127 GLU H H 127 7.635 7.635 7.583 0.052 19586 5449 1 8 . 1 1 128 128 ALA N N 128 116.966 116.966 120.699 -3.733 19586 5450 1 8 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.436 0.064 19586 5451 1 8 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.294 -4.089 19586 5452 1 8 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.778 0.327 19586 5453 1 8 . 1 1 128 128 ALA H H 128 7.155 7.155 7.879 -0.724 19586 5454 1 8 . 1 1 129 129 ASP N N 129 118.033 118.033 119.147 -1.114 19586 5455 1 8 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.891 -0.540 19586 5456 1 8 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.014 -1.192 19586 5457 1 8 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.742 -4.056 19586 5458 1 8 . 1 1 129 129 ASP H H 129 7.806 7.806 7.878 -0.072 19586 5459 1 8 . 1 1 130 130 ILE N N 130 127.927 127.927 121.942 5.985 19586 5460 1 8 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.135 -0.338 19586 5461 1 8 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.751 -2.229 19586 5462 1 8 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.080 -1.990 19586 5463 1 8 . 1 1 130 130 ILE H H 130 8.115 8.115 8.551 -0.436 19586 5464 1 8 . 1 1 131 131 ASP N N 131 116.634 116.634 119.595 -2.961 19586 5465 1 8 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.711 -0.368 19586 5466 1 8 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.557 -2.370 19586 5467 1 8 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.373 -3.905 19586 5468 1 8 . 1 1 131 131 ASP H H 131 8.202 8.202 7.862 0.340 19586 5469 1 8 . 1 1 132 132 GLY N N 132 108.586 108.586 108.524 0.062 19586 5470 1 8 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.896 -1.258 19586 5471 1 8 . 1 1 132 132 GLY H H 132 7.535 7.535 7.666 -0.131 19586 5472 1 8 . 1 1 133 133 ASP N N 133 120.377 120.377 120.121 0.256 19586 5473 1 8 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.605 -0.254 19586 5474 1 8 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.202 -3.260 19586 5475 1 8 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.346 -3.888 19586 5476 1 8 . 1 1 133 133 ASP H H 133 8.215 8.215 8.679 -0.464 19586 5477 1 8 . 1 1 134 134 GLY N N 134 112.226 112.226 107.791 4.435 19586 5478 1 8 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.338 -2.216 19586 5479 1 8 . 1 1 134 134 GLY H H 134 9.971 9.971 8.558 1.413 19586 5480 1 8 . 1 1 135 135 GLN N N 135 115.229 115.229 117.006 -1.777 19586 5481 1 8 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.881 -0.750 19586 5482 1 8 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.551 -4.097 19586 5483 1 8 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.157 -3.543 19586 5484 1 8 . 1 1 135 135 GLN H H 135 7.835 7.835 7.782 0.053 19586 5485 1 8 . 1 1 136 136 VAL N N 136 125.238 125.238 121.100 4.138 19586 5486 1 8 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.466 0.630 19586 5487 1 8 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.472 -1.759 19586 5488 1 8 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.009 -1.593 19586 5489 1 8 . 1 1 136 136 VAL H H 136 8.958 8.958 9.033 -0.075 19586 5490 1 8 . 1 1 137 137 ASN N N 137 129.058 129.058 126.017 3.041 19586 5491 1 8 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.905 0.321 19586 5492 1 8 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.144 -3.792 19586 5493 1 8 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.172 -3.532 19586 5494 1 8 . 1 1 137 137 ASN H H 137 9.435 9.435 8.587 0.848 19586 5495 1 8 . 1 1 138 138 TYR N N 138 118.627 118.627 117.564 1.063 19586 5496 1 8 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.394 -1.202 19586 5497 1 8 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.809 -1.141 19586 5498 1 8 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.862 -0.290 19586 5499 1 8 . 1 1 138 138 TYR H H 138 8.146 8.146 7.836 0.310 19586 5500 1 8 . 1 1 139 139 GLU N N 139 118.701 118.701 119.221 -0.520 19586 5501 1 8 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.975 -0.464 19586 5502 1 8 . 1 1 139 139 GLU CA C 139 57.540 57.540 58.793 -1.253 19586 5503 1 8 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.029 -2.755 19586 5504 1 8 . 1 1 139 139 GLU H H 139 7.974 7.974 7.559 0.415 19586 5505 1 8 . 1 1 140 140 GLU N N 140 119.774 119.774 119.289 0.485 19586 5506 1 8 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.152 -0.241 19586 5507 1 8 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.835 -2.810 19586 5508 1 8 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.657 -3.383 19586 5509 1 8 . 1 1 140 140 GLU H H 140 8.676 8.676 7.688 0.988 19586 5510 1 8 . 1 1 141 141 PHE N N 141 124.074 124.074 119.894 4.180 19586 5511 1 8 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.062 -0.415 19586 5512 1 8 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.382 -0.935 19586 5513 1 8 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.009 -1.323 19586 5514 1 8 . 1 1 141 141 PHE H H 141 8.507 8.507 7.437 1.070 19586 5515 1 8 . 1 1 142 142 VAL N N 142 119.203 119.203 116.280 2.923 19586 5516 1 8 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.622 -0.664 19586 5517 1 8 . 1 1 142 142 VAL CA C 142 64.432 64.432 64.858 -0.426 19586 5518 1 8 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.439 -2.531 19586 5519 1 8 . 1 1 142 142 VAL H H 142 8.639 8.639 7.234 1.405 19586 5520 1 8 . 1 1 143 143 GLN N N 143 120.173 120.173 119.814 0.359 19586 5521 1 8 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.975 -0.304 19586 5522 1 8 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.743 -2.229 19586 5523 1 8 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.304 -3.058 19586 5524 1 8 . 1 1 143 143 GLN H H 143 7.818 7.818 7.818 -0.000 19586 5525 1 8 . 1 1 144 144 MET N N 144 118.573 118.573 114.722 3.851 19586 5526 1 8 . 1 1 144 144 MET HA H 144 3.882 3.882 4.307 -0.425 19586 5527 1 8 . 1 1 144 144 MET CA C 144 55.683 55.683 55.693 -0.010 19586 5528 1 8 . 1 1 144 144 MET CB C 144 28.110 28.110 32.225 -4.115 19586 5529 1 8 . 1 1 144 144 MET H H 144 7.403 7.403 7.417 -0.014 19586 5530 1 8 . 1 1 145 145 MET N N 145 114.053 114.053 117.421 -3.368 19586 5531 1 8 . 1 1 145 145 MET HA H 145 3.940 3.940 4.198 -0.258 19586 5532 1 8 . 1 1 145 145 MET CA C 145 53.630 53.630 58.298 -4.668 19586 5533 1 8 . 1 1 145 145 MET CB C 145 29.592 29.592 32.605 -3.013 19586 5534 1 8 . 1 1 145 145 MET H H 145 7.534 7.534 7.485 0.049 19586 5535 1 8 . 1 1 146 146 THR N N 146 109.275 109.275 115.152 -5.877 19586 5536 1 8 . 1 1 146 146 THR HA H 146 4.175 4.175 4.101 0.074 19586 5537 1 8 . 1 1 146 146 THR CA C 146 59.251 59.251 64.131 -4.880 19586 5538 1 8 . 1 1 146 146 THR CB C 146 67.896 67.896 69.065 -1.169 19586 5539 1 8 . 1 1 146 146 THR H H 146 7.554 7.554 7.694 -0.140 19586 5540 1 8 . 1 1 147 147 ALA N N 147 126.913 126.913 122.604 4.309 19586 5541 1 8 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.622 -0.505 19586 5542 1 8 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.100 -0.793 19586 5543 1 8 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.179 -3.843 19586 5544 1 8 . 1 1 147 147 ALA H H 147 7.406 7.406 7.464 -0.058 19586 5545 1 9 . 1 1 2 2 ASP N N 2 120.378 120.378 120.009 0.369 19586 5546 1 9 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.472 0.113 19586 5547 1 9 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.556 -2.596 19586 5548 1 9 . 1 1 2 2 ASP H H 2 8.506 8.506 8.542 -0.036 19586 5549 1 9 . 1 1 3 3 GLN N N 3 119.707 119.707 119.882 -0.175 19586 5550 1 9 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.635 -0.423 19586 5551 1 9 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.340 -2.605 19586 5552 1 9 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.562 -0.488 19586 5553 1 9 . 1 1 3 3 GLN H H 3 8.208 8.208 8.466 -0.258 19586 5554 1 9 . 1 1 4 4 LEU N N 4 123.069 123.069 123.310 -0.241 19586 5555 1 9 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.789 -0.649 19586 5556 1 9 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.360 -3.702 19586 5557 1 9 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.326 -2.702 19586 5558 1 9 . 1 1 4 4 LEU H H 4 8.181 8.181 8.604 -0.423 19586 5559 1 9 . 1 1 5 5 THR N N 5 112.909 112.909 112.705 0.204 19586 5560 1 9 . 1 1 5 5 THR HA H 5 4.322 4.322 4.261 0.061 19586 5561 1 9 . 1 1 5 5 THR CA C 5 57.687 57.687 64.525 -6.838 19586 5562 1 9 . 1 1 5 5 THR CB C 5 68.580 68.580 68.793 -0.213 19586 5563 1 9 . 1 1 5 5 THR H H 5 8.607 8.607 7.881 0.726 19586 5564 1 9 . 1 1 6 6 GLU N N 6 120.224 120.224 120.532 -0.308 19586 5565 1 9 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.168 -0.343 19586 5566 1 9 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.269 -2.022 19586 5567 1 9 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.511 -0.375 19586 5568 1 9 . 1 1 6 6 GLU H H 6 8.877 8.877 8.418 0.459 19586 5569 1 9 . 1 1 7 7 GLU N N 7 119.350 119.350 118.034 1.316 19586 5570 1 9 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.169 -0.252 19586 5571 1 9 . 1 1 7 7 GLU CA C 7 57.198 57.198 59.261 -2.063 19586 5572 1 9 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.214 -2.940 19586 5573 1 9 . 1 1 7 7 GLU H H 7 8.524 8.524 8.656 -0.132 19586 5574 1 9 . 1 1 8 8 GLN N N 8 119.917 119.917 116.849 3.068 19586 5575 1 9 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.188 -0.285 19586 5576 1 9 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.031 -2.055 19586 5577 1 9 . 1 1 8 8 GLN CB C 8 26.400 26.400 28.940 -2.540 19586 5578 1 9 . 1 1 8 8 GLN H H 8 7.603 7.603 8.026 -0.423 19586 5579 1 9 . 1 1 9 9 ILE N N 9 119.503 119.503 117.832 1.671 19586 5580 1 9 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.409 -0.770 19586 5581 1 9 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.139 2.657 19586 5582 1 9 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.609 -3.431 19586 5583 1 9 . 1 1 9 9 ILE H H 9 8.260 8.260 7.472 0.788 19586 5584 1 9 . 1 1 10 10 ALA N N 10 121.044 121.044 123.361 -2.317 19586 5585 1 9 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.160 -0.199 19586 5586 1 9 . 1 1 10 10 ALA CA C 10 52.702 52.702 55.154 -2.452 19586 5587 1 9 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.334 -3.220 19586 5588 1 9 . 1 1 10 10 ALA H H 10 7.840 7.840 8.532 -0.692 19586 5589 1 9 . 1 1 11 11 GLU N N 11 119.113 119.113 118.483 0.630 19586 5590 1 9 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.331 -0.423 19586 5591 1 9 . 1 1 11 11 GLU CA C 11 56.563 56.563 58.127 -1.564 19586 5592 1 9 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.611 -3.211 19586 5593 1 9 . 1 1 11 11 GLU H H 11 7.635 7.635 8.124 -0.489 19586 5594 1 9 . 1 1 12 12 PHE N N 12 119.574 119.574 119.765 -0.191 19586 5595 1 9 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.371 0.415 19586 5596 1 9 . 1 1 12 12 PHE CA C 12 56.954 56.954 62.283 -5.329 19586 5597 1 9 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.514 -4.450 19586 5598 1 9 . 1 1 12 12 PHE H H 12 8.441 8.441 7.883 0.558 19586 5599 1 9 . 1 1 13 13 LYS N N 13 123.454 123.454 118.191 5.263 19586 5600 1 9 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.372 -0.469 19586 5601 1 9 . 1 1 13 13 LYS CA C 13 57.296 57.296 57.976 -0.680 19586 5602 1 9 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.098 -2.506 19586 5603 1 9 . 1 1 13 13 LYS H H 13 9.103 9.103 7.960 1.143 19586 5604 1 9 . 1 1 14 14 GLU N N 14 119.525 119.525 116.394 3.131 19586 5605 1 9 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.437 -0.526 19586 5606 1 9 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.938 -1.473 19586 5607 1 9 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.454 -3.953 19586 5608 1 9 . 1 1 14 14 GLU H H 14 7.667 7.667 8.031 -0.364 19586 5609 1 9 . 1 1 15 15 ALA N N 15 121.983 121.983 122.958 -0.975 19586 5610 1 9 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.216 -0.255 19586 5611 1 9 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.879 -2.128 19586 5612 1 9 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.936 -3.708 19586 5613 1 9 . 1 1 15 15 ALA H H 15 7.816 7.816 8.111 -0.295 19586 5614 1 9 . 1 1 16 16 PHE N N 16 118.874 118.874 119.399 -0.525 19586 5615 1 9 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.330 -1.235 19586 5616 1 9 . 1 1 16 16 PHE CA C 16 59.544 59.544 61.372 -1.828 19586 5617 1 9 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.443 -2.669 19586 5618 1 9 . 1 1 16 16 PHE H H 16 8.764 8.764 8.815 -0.051 19586 5619 1 9 . 1 1 17 17 SER N N 17 111.578 111.578 114.103 -2.525 19586 5620 1 9 . 1 1 17 17 SER HA H 17 3.979 3.979 4.306 -0.327 19586 5621 1 9 . 1 1 17 17 SER CA C 17 58.567 58.567 60.299 -1.732 19586 5622 1 9 . 1 1 17 17 SER CB C 17 60.600 60.600 62.950 -2.350 19586 5623 1 9 . 1 1 17 17 SER H H 17 7.825 7.825 8.653 -0.828 19586 5624 1 9 . 1 1 18 18 LEU N N 18 121.167 121.167 119.279 1.888 19586 5625 1 9 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.041 -0.094 19586 5626 1 9 . 1 1 18 18 LEU CA C 18 54.608 54.608 56.910 -2.302 19586 5627 1 9 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.235 -2.597 19586 5628 1 9 . 1 1 18 18 LEU H H 18 7.240 7.240 7.160 0.080 19586 5629 1 9 . 1 1 19 19 PHE N N 19 114.405 114.405 114.296 0.109 19586 5630 1 9 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.381 -0.470 19586 5631 1 9 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.131 -1.884 19586 5632 1 9 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.811 -6.001 19586 5633 1 9 . 1 1 19 19 PHE H H 19 7.090 7.090 7.353 -0.263 19586 5634 1 9 . 1 1 20 20 ASP N N 20 115.823 115.823 120.368 -4.545 19586 5635 1 9 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.588 -0.112 19586 5636 1 9 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.548 -5.072 19586 5637 1 9 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.541 -2.759 19586 5638 1 9 . 1 1 20 20 ASP H H 20 7.662 7.662 8.140 -0.478 19586 5639 1 9 . 1 1 21 21 LYS N N 21 124.906 124.906 124.028 0.878 19586 5640 1 9 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.105 -0.319 19586 5641 1 9 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.280 -2.255 19586 5642 1 9 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.363 -2.663 19586 5643 1 9 . 1 1 21 21 LYS H H 21 7.539 7.539 8.272 -0.733 19586 5644 1 9 . 1 1 22 22 ASP N N 22 113.550 113.550 118.177 -4.627 19586 5645 1 9 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.609 -0.178 19586 5646 1 9 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.377 -5.412 19586 5647 1 9 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.384 -4.610 19586 5648 1 9 . 1 1 22 22 ASP H H 22 7.965 7.965 7.783 0.182 19586 5649 1 9 . 1 1 23 23 GLY N N 23 109.354 109.354 108.167 1.187 19586 5650 1 9 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.798 -1.357 19586 5651 1 9 . 1 1 23 23 GLY H H 23 7.606 7.606 8.727 -1.121 19586 5652 1 9 . 1 1 24 24 ASP N N 24 120.643 120.643 121.035 -0.392 19586 5653 1 9 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.768 -0.413 19586 5654 1 9 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.165 -3.125 19586 5655 1 9 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.081 -3.395 19586 5656 1 9 . 1 1 24 24 ASP H H 24 8.266 8.266 8.456 -0.190 19586 5657 1 9 . 1 1 25 25 GLY N N 25 113.205 113.205 107.410 5.795 19586 5658 1 9 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.293 -2.610 19586 5659 1 9 . 1 1 25 25 GLY H H 25 10.545 10.545 8.121 2.424 19586 5660 1 9 . 1 1 26 26 THR N N 26 112.852 112.852 109.868 2.984 19586 5661 1 9 . 1 1 26 26 THR HA H 26 5.170 5.170 4.761 0.409 19586 5662 1 9 . 1 1 26 26 THR CA C 26 56.954 56.954 60.198 -3.244 19586 5663 1 9 . 1 1 26 26 THR CB C 26 69.948 69.948 71.609 -1.661 19586 5664 1 9 . 1 1 26 26 THR H H 26 8.020 8.020 7.676 0.344 19586 5665 1 9 . 1 1 27 27 ILE N N 27 127.005 127.005 118.390 8.615 19586 5666 1 9 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.420 -0.593 19586 5667 1 9 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.392 -1.461 19586 5668 1 9 . 1 1 27 27 ILE CB C 27 37.230 37.230 38.880 -1.650 19586 5669 1 9 . 1 1 27 27 ILE H H 27 9.689 9.689 7.922 1.767 19586 5670 1 9 . 1 1 28 28 THR N N 28 116.439 116.439 120.022 -3.583 19586 5671 1 9 . 1 1 28 28 THR HA H 28 4.642 4.642 4.211 0.431 19586 5672 1 9 . 1 1 28 28 THR CA C 28 56.612 56.612 62.764 -6.152 19586 5673 1 9 . 1 1 28 28 THR CB C 28 69.606 69.606 69.417 0.189 19586 5674 1 9 . 1 1 28 28 THR H H 28 8.275 8.275 8.409 -0.134 19586 5675 1 9 . 1 1 29 29 THR N N 29 113.287 113.287 116.811 -3.524 19586 5676 1 9 . 1 1 29 29 THR HA H 29 3.635 3.635 4.160 -0.525 19586 5677 1 9 . 1 1 29 29 THR CA C 29 63.845 63.845 62.427 1.418 19586 5678 1 9 . 1 1 29 29 THR CB C 29 65.616 65.616 68.934 -3.318 19586 5679 1 9 . 1 1 29 29 THR H H 29 9.054 9.054 8.620 0.434 19586 5680 1 9 . 1 1 30 30 LYS N N 30 121.230 121.230 120.405 0.825 19586 5681 1 9 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.244 -0.341 19586 5682 1 9 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.605 -2.139 19586 5683 1 9 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.374 -2.674 19586 5684 1 9 . 1 1 30 30 LYS H H 30 7.578 7.578 8.057 -0.479 19586 5685 1 9 . 1 1 31 31 GLU N N 31 122.002 122.002 118.467 3.535 19586 5686 1 9 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.281 -0.418 19586 5687 1 9 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.236 -0.087 19586 5688 1 9 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.531 -2.473 19586 5689 1 9 . 1 1 31 31 GLU H H 31 7.712 7.712 8.578 -0.866 19586 5690 1 9 . 1 1 32 32 LEU N N 32 119.130 119.130 117.302 1.828 19586 5691 1 9 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.061 -0.136 19586 5692 1 9 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.585 -1.056 19586 5693 1 9 . 1 1 32 32 LEU CB C 32 39.981 39.981 39.863 0.118 19586 5694 1 9 . 1 1 32 32 LEU H H 32 8.509 8.509 7.532 0.977 19586 5695 1 9 . 1 1 33 33 GLY N N 33 103.747 103.747 104.389 -0.642 19586 5696 1 9 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.755 -0.091 19586 5697 1 9 . 1 1 33 33 GLY H H 33 8.388 8.388 8.256 0.132 19586 5698 1 9 . 1 1 34 34 THR N N 34 117.487 117.487 115.920 1.567 19586 5699 1 9 . 1 1 34 34 THR HA H 34 3.795 3.795 4.515 -0.720 19586 5700 1 9 . 1 1 34 34 THR CA C 34 64.285 64.285 63.461 0.824 19586 5701 1 9 . 1 1 34 34 THR CB C 34 66.186 66.186 68.868 -2.682 19586 5702 1 9 . 1 1 34 34 THR H H 34 7.935 7.935 7.616 0.319 19586 5703 1 9 . 1 1 35 35 VAL N N 35 120.287 120.287 120.449 -0.162 19586 5704 1 9 . 1 1 35 35 VAL H H 35 7.089 7.089 7.433 -0.344 19586 5705 1 9 . 1 1 36 36 MET N N 36 117.816 117.816 118.041 -0.225 19586 5706 1 9 . 1 1 36 36 MET HA H 36 3.911 3.911 4.296 -0.385 19586 5707 1 9 . 1 1 36 36 MET CA C 36 57.101 57.101 57.212 -0.111 19586 5708 1 9 . 1 1 36 36 MET CB C 36 29.929 29.929 32.648 -2.719 19586 5709 1 9 . 1 1 36 36 MET H H 36 8.318 8.318 8.125 0.193 19586 5710 1 9 . 1 1 37 37 ARG N N 37 117.706 117.706 118.771 -1.065 19586 5711 1 9 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.148 0.550 19586 5712 1 9 . 1 1 37 37 ARG CA C 37 56.172 56.172 57.677 -1.505 19586 5713 1 9 . 1 1 37 37 ARG CB C 37 27.084 27.084 30.698 -3.614 19586 5714 1 9 . 1 1 37 37 ARG H H 37 8.233 8.233 7.548 0.685 19586 5715 1 9 . 1 1 38 38 SER N N 38 118.974 118.974 110.677 8.297 19586 5716 1 9 . 1 1 38 38 SER HA H 38 4.187 4.187 4.175 0.012 19586 5717 1 9 . 1 1 38 38 SER CA C 38 59.251 59.251 60.035 -0.784 19586 5718 1 9 . 1 1 38 38 SER CB C 38 67.782 67.782 61.887 5.895 19586 5719 1 9 . 1 1 38 38 SER H H 38 7.874 7.874 8.781 -0.907 19586 5720 1 9 . 1 1 39 39 LEU N N 39 118.835 118.835 121.873 -3.038 19586 5721 1 9 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.450 -0.311 19586 5722 1 9 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.712 -3.380 19586 5723 1 9 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.492 -2.854 19586 5724 1 9 . 1 1 39 39 LEU H H 39 7.248 7.248 7.068 0.180 19586 5725 1 9 . 1 1 40 40 GLY N N 40 104.990 104.990 105.890 -0.900 19586 5726 1 9 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.651 -2.773 19586 5727 1 9 . 1 1 40 40 GLY H H 40 7.471 7.471 8.363 -0.892 19586 5728 1 9 . 1 1 41 41 GLN N N 41 118.032 118.032 118.737 -0.705 19586 5729 1 9 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.601 -0.231 19586 5730 1 9 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.806 -3.619 19586 5731 1 9 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.099 -0.481 19586 5732 1 9 . 1 1 41 41 GLN H H 41 7.860 7.860 8.124 -0.264 19586 5733 1 9 . 1 1 42 42 ASN N N 42 115.671 115.671 116.325 -0.654 19586 5734 1 9 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.055 0.039 19586 5735 1 9 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.905 -2.211 19586 5736 1 9 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.615 -4.061 19586 5737 1 9 . 1 1 42 42 ASN H H 42 8.561 8.561 8.329 0.232 19586 5738 1 9 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.637 0.074 19586 5739 1 9 . 1 1 44 44 THR N N 44 113.509 113.509 116.013 -2.504 19586 5740 1 9 . 1 1 44 44 THR HA H 44 4.321 4.321 4.561 -0.240 19586 5741 1 9 . 1 1 44 44 THR CA C 44 57.638 57.638 60.049 -2.411 19586 5742 1 9 . 1 1 44 44 THR CB C 44 68.466 68.466 69.576 -1.110 19586 5743 1 9 . 1 1 44 44 THR H H 44 8.882 8.882 8.256 0.626 19586 5744 1 9 . 1 1 45 45 GLU N N 45 120.506 120.506 127.756 -7.250 19586 5745 1 9 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.832 0.048 19586 5746 1 9 . 1 1 45 45 GLU CA C 45 57.101 57.101 60.050 -2.949 19586 5747 1 9 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.784 -3.510 19586 5748 1 9 . 1 1 45 45 GLU H H 45 8.662 8.662 8.880 -0.218 19586 5749 1 9 . 1 1 46 46 ALA N N 46 120.586 120.586 118.426 2.160 19586 5750 1 9 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.132 -0.207 19586 5751 1 9 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.270 -1.959 19586 5752 1 9 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.538 -3.458 19586 5753 1 9 . 1 1 46 46 ALA H H 46 8.139 8.139 8.383 -0.244 19586 5754 1 9 . 1 1 47 47 GLU N N 47 118.171 118.171 118.570 -0.399 19586 5755 1 9 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.100 -0.224 19586 5756 1 9 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.830 -2.560 19586 5757 1 9 . 1 1 47 47 GLU CB C 47 26.286 26.286 30.135 -3.849 19586 5758 1 9 . 1 1 47 47 GLU H H 47 7.597 7.597 7.567 0.030 19586 5759 1 9 . 1 1 48 48 LEU N N 48 120.228 120.228 116.190 4.038 19586 5760 1 9 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.074 -0.147 19586 5761 1 9 . 1 1 48 48 LEU CA C 48 55.048 55.048 58.057 -3.009 19586 5762 1 9 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.220 -0.239 19586 5763 1 9 . 1 1 48 48 LEU H H 48 7.848 7.848 7.544 0.304 19586 5764 1 9 . 1 1 49 49 GLN N N 49 117.910 117.910 118.880 -0.970 19586 5765 1 9 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.083 -0.182 19586 5766 1 9 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.731 -2.999 19586 5767 1 9 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.433 -0.551 19586 5768 1 9 . 1 1 49 49 GLN H H 49 8.037 8.037 7.843 0.194 19586 5769 1 9 . 1 1 50 50 ASP N N 50 119.284 119.284 118.884 0.400 19586 5770 1 9 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.546 -0.389 19586 5771 1 9 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.580 -1.874 19586 5772 1 9 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.809 -3.237 19586 5773 1 9 . 1 1 50 50 ASP H H 50 8.010 8.010 7.894 0.116 19586 5774 1 9 . 1 1 51 51 MET N N 51 119.245 119.245 117.243 2.002 19586 5775 1 9 . 1 1 51 51 MET HA H 51 3.923 3.923 4.585 -0.662 19586 5776 1 9 . 1 1 51 51 MET CA C 51 56.563 56.563 56.684 -0.121 19586 5777 1 9 . 1 1 51 51 MET CB C 51 29.478 29.478 34.398 -4.920 19586 5778 1 9 . 1 1 51 51 MET H H 51 7.614 7.614 7.393 0.221 19586 5779 1 9 . 1 1 52 52 ILE N N 52 117.584 117.584 120.468 -2.884 19586 5780 1 9 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.756 -0.428 19586 5781 1 9 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.931 -3.041 19586 5782 1 9 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.842 -3.348 19586 5783 1 9 . 1 1 52 52 ILE H H 52 7.514 7.514 8.993 -1.479 19586 5784 1 9 . 1 1 53 53 ASN N N 53 117.126 117.126 117.027 0.099 19586 5785 1 9 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.480 -0.258 19586 5786 1 9 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.371 -3.278 19586 5787 1 9 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.853 -3.561 19586 5788 1 9 . 1 1 53 53 ASN H H 53 8.418 8.418 7.682 0.736 19586 5789 1 9 . 1 1 54 54 GLU N N 54 116.380 116.380 117.659 -1.279 19586 5790 1 9 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.208 -0.305 19586 5791 1 9 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.455 -2.332 19586 5792 1 9 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.150 -3.750 19586 5793 1 9 . 1 1 54 54 GLU H H 54 7.466 7.466 8.045 -0.579 19586 5794 1 9 . 1 1 55 55 VAL N N 55 108.622 108.622 113.626 -5.004 19586 5795 1 9 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.203 0.111 19586 5796 1 9 . 1 1 55 55 VAL CA C 55 58.176 58.176 63.467 -5.291 19586 5797 1 9 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.968 -1.806 19586 5798 1 9 . 1 1 55 55 VAL H H 55 7.044 7.044 7.627 -0.583 19586 5799 1 9 . 1 1 56 56 ASP N N 56 121.430 121.430 122.419 -0.989 19586 5800 1 9 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.973 -0.583 19586 5801 1 9 . 1 1 56 56 ASP CA C 56 50.991 50.991 53.181 -2.190 19586 5802 1 9 . 1 1 56 56 ASP CB C 56 36.896 36.896 39.350 -2.454 19586 5803 1 9 . 1 1 56 56 ASP H H 56 7.561 7.561 7.865 -0.304 19586 5804 1 9 . 1 1 57 57 ALA N N 57 131.840 131.840 125.442 6.398 19586 5805 1 9 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.194 -0.141 19586 5806 1 9 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.181 -2.701 19586 5807 1 9 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.108 -2.314 19586 5808 1 9 . 1 1 57 57 ALA H H 57 8.357 8.357 8.458 -0.101 19586 5809 1 9 . 1 1 58 58 ASP N N 58 113.565 113.565 118.187 -4.622 19586 5810 1 9 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.648 -0.158 19586 5811 1 9 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.764 -3.848 19586 5812 1 9 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.455 -4.681 19586 5813 1 9 . 1 1 58 58 ASP H H 58 7.985 7.985 7.834 0.151 19586 5814 1 9 . 1 1 59 59 GLY N N 59 108.187 108.187 108.743 -0.556 19586 5815 1 9 . 1 1 59 59 GLY CA C 59 44.491 44.491 45.846 -1.355 19586 5816 1 9 . 1 1 59 59 GLY H H 59 7.424 7.424 8.240 -0.816 19586 5817 1 9 . 1 1 60 60 ASN N N 60 118.065 118.065 124.495 -6.430 19586 5818 1 9 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.690 -0.244 19586 5819 1 9 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.166 -3.397 19586 5820 1 9 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.316 -2.762 19586 5821 1 9 . 1 1 60 60 ASN H H 60 7.919 7.919 9.544 -1.625 19586 5822 1 9 . 1 1 61 61 GLY N N 61 113.247 113.247 108.324 4.923 19586 5823 1 9 . 1 1 61 61 GLY CA C 61 42.878 42.878 47.041 -4.163 19586 5824 1 9 . 1 1 61 61 GLY H H 61 10.485 10.485 8.108 2.377 19586 5825 1 9 . 1 1 62 62 THR N N 62 108.699 108.699 111.319 -2.620 19586 5826 1 9 . 1 1 62 62 THR HA H 62 4.580 4.580 4.358 0.222 19586 5827 1 9 . 1 1 62 62 THR CA C 62 56.661 56.661 60.505 -3.844 19586 5828 1 9 . 1 1 62 62 THR H H 62 7.511 7.511 7.384 0.127 19586 5829 1 9 . 1 1 63 63 ILE N N 63 122.834 122.834 119.827 3.007 19586 5830 1 9 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.506 0.548 19586 5831 1 9 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.515 -2.414 19586 5832 1 9 . 1 1 63 63 ILE CB C 63 37.344 37.344 40.911 -3.567 19586 5833 1 9 . 1 1 63 63 ILE H H 63 8.741 8.741 8.023 0.718 19586 5834 1 9 . 1 1 64 64 ASP N N 64 127.818 127.818 118.758 9.060 19586 5835 1 9 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.176 0.062 19586 5836 1 9 . 1 1 64 64 ASP CA C 64 49.378 49.378 51.860 -2.482 19586 5837 1 9 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.967 -7.185 19586 5838 1 9 . 1 1 64 64 ASP H H 64 8.702 8.702 8.265 0.437 19586 5839 1 9 . 1 1 65 65 PHE N N 65 118.653 118.653 120.147 -1.494 19586 5840 1 9 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.402 -0.541 19586 5841 1 9 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.511 -2.795 19586 5842 1 9 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.254 -4.128 19586 5843 1 9 . 1 1 65 65 PHE H H 65 8.847 8.847 8.944 -0.097 19586 5844 1 9 . 1 1 67 67 GLU N N 67 117.631 117.631 117.767 -0.136 19586 5845 1 9 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.074 -0.171 19586 5846 1 9 . 1 1 67 67 GLU CA C 67 56.337 56.337 59.100 -2.763 19586 5847 1 9 . 1 1 67 67 GLU CB C 67 26.045 26.045 29.306 -3.261 19586 5848 1 9 . 1 1 67 67 GLU H H 67 7.940 7.940 8.626 -0.686 19586 5849 1 9 . 1 1 68 68 PHE N N 68 123.289 123.289 119.493 3.796 19586 5850 1 9 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.333 -0.493 19586 5851 1 9 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.029 -1.302 19586 5852 1 9 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.272 -1.700 19586 5853 1 9 . 1 1 68 68 PHE H H 68 8.757 8.757 7.676 1.081 19586 5854 1 9 . 1 1 69 69 LEU N N 69 118.867 118.867 117.414 1.453 19586 5855 1 9 . 1 1 69 69 LEU HA H 69 3.245 3.245 3.967 -0.722 19586 5856 1 9 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.450 -2.292 19586 5857 1 9 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.546 -3.290 19586 5858 1 9 . 1 1 69 69 LEU H H 69 8.403 8.403 8.080 0.323 19586 5859 1 9 . 1 1 70 70 THR N N 70 116.302 116.302 110.490 5.812 19586 5860 1 9 . 1 1 70 70 THR HA H 70 3.624 3.624 3.985 -0.361 19586 5861 1 9 . 1 1 70 70 THR CA C 70 63.843 63.843 65.249 -1.405 19586 5862 1 9 . 1 1 70 70 THR CB C 70 65.502 65.502 68.784 -3.282 19586 5863 1 9 . 1 1 70 70 THR H H 70 7.540 7.540 7.330 0.210 19586 5864 1 9 . 1 1 71 71 MET N N 71 121.710 121.710 121.314 0.396 19586 5865 1 9 . 1 1 71 71 MET HA H 71 3.903 3.903 4.234 -0.331 19586 5866 1 9 . 1 1 71 71 MET CA C 71 56.303 56.303 57.861 -1.558 19586 5867 1 9 . 1 1 71 71 MET CB C 71 29.706 29.706 31.784 -2.078 19586 5868 1 9 . 1 1 71 71 MET H H 71 7.723 7.723 7.498 0.225 19586 5869 1 9 . 1 1 72 72 MET N N 72 116.535 116.535 117.824 -1.289 19586 5870 1 9 . 1 1 72 72 MET HA H 72 3.773 3.773 4.254 -0.481 19586 5871 1 9 . 1 1 72 72 MET CA C 72 53.307 53.307 56.839 -3.532 19586 5872 1 9 . 1 1 72 72 MET CB C 72 28.787 28.787 31.810 -3.023 19586 5873 1 9 . 1 1 72 72 MET H H 72 7.982 7.982 7.388 0.594 19586 5874 1 9 . 1 1 73 73 ALA N N 73 121.584 121.584 123.644 -2.060 19586 5875 1 9 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.011 -0.131 19586 5876 1 9 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.786 -2.691 19586 5877 1 9 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.038 -2.696 19586 5878 1 9 . 1 1 73 73 ALA H H 73 8.074 8.074 7.531 0.543 19586 5879 1 9 . 1 1 74 74 ARG N N 74 115.784 115.784 116.357 -0.573 19586 5880 1 9 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.148 -0.245 19586 5881 1 9 . 1 1 74 74 ARG CA C 74 55.731 55.731 57.960 -2.229 19586 5882 1 9 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.204 -2.217 19586 5883 1 9 . 1 1 74 74 ARG H H 74 7.358 7.358 7.646 -0.288 19586 5884 1 9 . 1 1 75 75 LYS N N 75 117.245 117.245 117.832 -0.587 19586 5885 1 9 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.261 -0.312 19586 5886 1 9 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.283 -3.336 19586 5887 1 9 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.380 -5.980 19586 5888 1 9 . 1 1 75 75 LYS H H 75 7.640 7.640 7.548 0.092 19586 5889 1 9 . 1 1 76 76 MET N N 76 117.971 117.971 120.103 -2.132 19586 5890 1 9 . 1 1 76 76 MET HA H 76 4.242 4.242 4.395 -0.153 19586 5891 1 9 . 1 1 76 76 MET CA C 76 53.947 53.947 54.871 -0.924 19586 5892 1 9 . 1 1 76 76 MET CB C 76 29.478 29.478 31.629 -2.151 19586 5893 1 9 . 1 1 76 76 MET H H 76 7.794 7.794 7.761 0.033 19586 5894 1 9 . 1 1 77 77 LYS N N 77 119.902 119.902 121.935 -2.033 19586 5895 1 9 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.378 -0.226 19586 5896 1 9 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.095 -1.812 19586 5897 1 9 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.723 -1.245 19586 5898 1 9 . 1 1 77 77 LYS H H 77 7.622 7.622 7.453 0.169 19586 5899 1 9 . 1 1 78 78 ASP N N 78 119.146 119.146 121.368 -2.222 19586 5900 1 9 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.374 -0.131 19586 5901 1 9 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.993 -2.932 19586 5902 1 9 . 1 1 78 78 ASP H H 78 7.991 7.991 8.359 -0.368 19586 5903 1 9 . 1 1 79 79 THR N N 79 112.750 112.750 111.449 1.301 19586 5904 1 9 . 1 1 79 79 THR HA H 79 4.170 4.170 4.317 -0.147 19586 5905 1 9 . 1 1 79 79 THR CA C 79 59.030 59.030 62.093 -3.063 19586 5906 1 9 . 1 1 79 79 THR CB C 79 67.668 67.668 69.824 -2.156 19586 5907 1 9 . 1 1 79 79 THR H H 79 7.587 7.587 7.836 -0.249 19586 5908 1 9 . 1 1 80 80 ASP N N 80 122.888 122.888 123.291 -0.403 19586 5909 1 9 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.764 -0.393 19586 5910 1 9 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.313 -3.463 19586 5911 1 9 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.488 -5.135 19586 5912 1 9 . 1 1 80 80 ASP H H 80 8.354 8.354 8.618 -0.264 19586 5913 1 9 . 1 1 81 81 SER N N 81 117.571 117.571 115.451 2.120 19586 5914 1 9 . 1 1 81 81 SER HA H 81 4.115 4.115 4.339 -0.224 19586 5915 1 9 . 1 1 81 81 SER CA C 81 57.717 57.717 61.090 -3.373 19586 5916 1 9 . 1 1 81 81 SER CB C 81 60.884 60.884 63.723 -2.839 19586 5917 1 9 . 1 1 81 81 SER H H 81 8.232 8.232 8.587 -0.355 19586 5918 1 9 . 1 1 82 82 GLU N N 82 121.860 121.860 121.635 0.225 19586 5919 1 9 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.127 -0.244 19586 5920 1 9 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.774 -3.067 19586 5921 1 9 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.009 0.583 19586 5922 1 9 . 1 1 82 82 GLU H H 82 8.364 8.364 8.796 -0.432 19586 5923 1 9 . 1 1 83 83 GLU N N 83 119.398 119.398 117.369 2.029 19586 5924 1 9 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.136 -0.253 19586 5925 1 9 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.350 -2.744 19586 5926 1 9 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.316 0.048 19586 5927 1 9 . 1 1 83 83 GLU H H 83 8.032 8.032 8.953 -0.921 19586 5928 1 9 . 1 1 84 84 GLU N N 84 118.279 118.279 119.218 -0.939 19586 5929 1 9 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.204 -0.333 19586 5930 1 9 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.434 -1.828 19586 5931 1 9 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.662 -3.845 19586 5932 1 9 . 1 1 84 84 GLU H H 84 8.153 8.153 7.733 0.420 19586 5933 1 9 . 1 1 85 85 ILE N N 85 120.970 120.970 120.316 0.654 19586 5934 1 9 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.970 -0.358 19586 5935 1 9 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.147 -0.708 19586 5936 1 9 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.456 -3.848 19586 5937 1 9 . 1 1 85 85 ILE H H 85 7.927 7.927 8.047 -0.120 19586 5938 1 9 . 1 1 86 86 ARG N N 86 121.766 121.766 118.548 3.218 19586 5939 1 9 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.189 -0.181 19586 5940 1 9 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.375 -1.860 19586 5941 1 9 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.297 -3.441 19586 5942 1 9 . 1 1 86 86 ARG H H 86 8.233 8.233 8.497 -0.264 19586 5943 1 9 . 1 1 87 87 GLU N N 87 118.369 118.369 118.892 -0.523 19586 5944 1 9 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.233 -0.331 19586 5945 1 9 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.025 -1.419 19586 5946 1 9 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.414 -3.597 19586 5947 1 9 . 1 1 87 87 GLU H H 87 8.156 8.156 7.811 0.345 19586 5948 1 9 . 1 1 88 88 ALA N N 88 120.337 120.337 119.971 0.366 19586 5949 1 9 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.585 -0.636 19586 5950 1 9 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.555 -0.292 19586 5951 1 9 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.005 -4.925 19586 5952 1 9 . 1 1 88 88 ALA H H 88 7.877 7.877 7.554 0.323 19586 5953 1 9 . 1 1 89 89 PHE N N 89 118.191 118.191 120.358 -2.167 19586 5954 1 9 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.306 -1.191 19586 5955 1 9 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.901 -1.198 19586 5956 1 9 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.826 -3.052 19586 5957 1 9 . 1 1 89 89 PHE H H 89 8.459 8.459 7.739 0.720 19586 5958 1 9 . 1 1 90 90 ARG N N 90 115.953 115.953 116.940 -0.987 19586 5959 1 9 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.702 -0.797 19586 5960 1 9 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.096 -0.928 19586 5961 1 9 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.328 -1.674 19586 5962 1 9 . 1 1 90 90 ARG H H 90 7.764 7.764 7.979 -0.215 19586 5963 1 9 . 1 1 91 91 VAL N N 91 118.202 118.202 116.906 1.296 19586 5964 1 9 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.810 -0.525 19586 5965 1 9 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.708 -1.351 19586 5966 1 9 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.819 -3.375 19586 5967 1 9 . 1 1 91 91 VAL H H 91 7.229 7.229 7.594 -0.365 19586 5968 1 9 . 1 1 92 92 PHE N N 92 112.447 112.447 120.083 -7.636 19586 5969 1 9 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.312 -0.367 19586 5970 1 9 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.249 -1.220 19586 5971 1 9 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.739 -1.901 19586 5972 1 9 . 1 1 92 92 PHE H H 92 6.699 6.699 7.609 -0.910 19586 5973 1 9 . 1 1 93 93 ASP N N 93 116.461 116.461 118.170 -1.709 19586 5974 1 9 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.494 -0.018 19586 5975 1 9 . 1 1 93 93 ASP CA C 93 49.525 49.525 54.443 -4.918 19586 5976 1 9 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.572 -5.389 19586 5977 1 9 . 1 1 93 93 ASP H H 93 7.881 7.881 8.311 -0.430 19586 5978 1 9 . 1 1 94 94 LYS N N 94 125.494 125.494 123.607 1.887 19586 5979 1 9 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.009 -0.341 19586 5980 1 9 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.738 -2.762 19586 5981 1 9 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.232 -0.818 19586 5982 1 9 . 1 1 94 94 LYS H H 94 7.596 7.596 8.470 -0.874 19586 5983 1 9 . 1 1 95 95 ASP N N 95 114.015 114.015 116.711 -2.696 19586 5984 1 9 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.716 -0.301 19586 5985 1 9 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.574 -4.267 19586 5986 1 9 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.272 -5.498 19586 5987 1 9 . 1 1 95 95 ASP H H 95 8.097 8.097 8.184 -0.087 19586 5988 1 9 . 1 1 96 96 GLY N N 96 109.147 109.147 108.437 0.710 19586 5989 1 9 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.447 -1.103 19586 5990 1 9 . 1 1 96 96 GLY H H 96 7.677 7.677 8.734 -1.057 19586 5991 1 9 . 1 1 97 97 ASN N N 97 119.575 119.575 119.273 0.302 19586 5992 1 9 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.987 -0.487 19586 5993 1 9 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.886 -2.970 19586 5994 1 9 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.689 -3.506 19586 5995 1 9 . 1 1 97 97 ASN H H 97 8.252 8.252 8.152 0.100 19586 5996 1 9 . 1 1 98 98 GLY N N 98 112.465 112.465 106.272 6.193 19586 5997 1 9 . 1 1 98 98 GLY CA C 98 42.292 42.292 46.072 -3.780 19586 5998 1 9 . 1 1 98 98 GLY H H 98 10.462 10.462 8.593 1.869 19586 5999 1 9 . 1 1 99 99 TYR N N 99 116.256 116.256 118.528 -2.272 19586 6000 1 9 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.928 -0.046 19586 6001 1 9 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.530 -2.948 19586 6002 1 9 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.639 -1.658 19586 6003 1 9 . 1 1 99 99 TYR H H 99 7.557 7.557 7.783 -0.226 19586 6004 1 9 . 1 1 100 100 ILE N N 100 126.957 126.957 122.045 4.912 19586 6005 1 9 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.319 0.138 19586 6006 1 9 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.417 -1.801 19586 6007 1 9 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.238 -3.806 19586 6008 1 9 . 1 1 100 100 ILE H H 100 9.972 9.972 8.879 1.093 19586 6009 1 9 . 1 1 101 101 SER N N 101 123.739 123.739 122.816 0.923 19586 6010 1 9 . 1 1 101 101 SER HA H 101 4.711 4.711 4.437 0.274 19586 6011 1 9 . 1 1 101 101 SER CA C 101 52.897 52.897 58.850 -5.953 19586 6012 1 9 . 1 1 101 101 SER CB C 101 64.134 64.134 64.256 -0.122 19586 6013 1 9 . 1 1 101 101 SER H H 101 8.844 8.844 8.581 0.263 19586 6014 1 9 . 1 1 102 102 ALA N N 102 123.028 123.028 127.910 -4.882 19586 6015 1 9 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.209 -0.498 19586 6016 1 9 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.906 -1.813 19586 6017 1 9 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.925 -3.811 19586 6018 1 9 . 1 1 102 102 ALA H H 102 9.178 9.178 8.638 0.540 19586 6019 1 9 . 1 1 103 103 ALA N N 103 118.443 118.443 119.015 -0.572 19586 6020 1 9 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.295 -0.434 19586 6021 1 9 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.812 -0.403 19586 6022 1 9 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.591 -2.135 19586 6023 1 9 . 1 1 103 103 ALA H H 103 8.132 8.132 8.369 -0.237 19586 6024 1 9 . 1 1 104 104 GLU N N 104 120.139 120.139 121.122 -0.983 19586 6025 1 9 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.168 -0.329 19586 6026 1 9 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.289 -2.726 19586 6027 1 9 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.614 -3.214 19586 6028 1 9 . 1 1 104 104 GLU H H 104 7.786 7.786 7.633 0.153 19586 6029 1 9 . 1 1 105 105 LEU N N 105 121.545 121.545 119.796 1.749 19586 6030 1 9 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.942 -0.040 19586 6031 1 9 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.915 -2.183 19586 6032 1 9 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.773 -1.564 19586 6033 1 9 . 1 1 105 105 LEU H H 105 8.240 8.240 8.035 0.205 19586 6034 1 9 . 1 1 106 106 ARG N N 106 118.625 118.625 116.262 2.363 19586 6035 1 9 . 1 1 106 106 ARG HA H 106 3.839 3.839 4.014 -0.175 19586 6036 1 9 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.965 -1.620 19586 6037 1 9 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.708 0.682 19586 6038 1 9 . 1 1 106 106 ARG H H 106 8.761 8.761 8.274 0.487 19586 6039 1 9 . 1 1 107 107 HIS N N 107 119.052 119.052 118.126 0.926 19586 6040 1 9 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.390 -0.488 19586 6041 1 9 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.207 -2.400 19586 6042 1 9 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.537 -3.339 19586 6043 1 9 . 1 1 107 107 HIS H H 107 7.946 7.946 7.512 0.434 19586 6044 1 9 . 1 1 108 108 VAL N N 108 119.160 119.160 119.806 -0.646 19586 6045 1 9 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.595 -0.153 19586 6046 1 9 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.191 -1.906 19586 6047 1 9 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.959 -3.051 19586 6048 1 9 . 1 1 108 108 VAL H H 108 7.736 7.736 8.828 -1.092 19586 6049 1 9 . 1 1 109 109 MET N N 109 115.333 115.333 117.740 -2.407 19586 6050 1 9 . 1 1 109 109 MET HA H 109 4.139 4.139 3.895 0.244 19586 6051 1 9 . 1 1 109 109 MET CA C 109 54.686 54.686 59.310 -4.624 19586 6052 1 9 . 1 1 109 109 MET CB C 109 29.706 29.706 32.369 -2.663 19586 6053 1 9 . 1 1 109 109 MET H H 109 8.074 8.074 8.056 0.018 19586 6054 1 9 . 1 1 110 110 THR N N 110 116.714 116.714 113.367 3.347 19586 6055 1 9 . 1 1 110 110 THR HA H 110 3.935 3.935 4.094 -0.159 19586 6056 1 9 . 1 1 110 110 THR CA C 110 63.845 63.845 65.847 -2.002 19586 6057 1 9 . 1 1 110 110 THR CB C 110 66.072 66.072 68.243 -2.171 19586 6058 1 9 . 1 1 110 110 THR H H 110 8.515 8.515 7.680 0.835 19586 6059 1 9 . 1 1 111 111 ASN N N 111 123.784 123.784 120.392 3.392 19586 6060 1 9 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.560 -0.318 19586 6061 1 9 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.103 -2.010 19586 6062 1 9 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.454 -3.162 19586 6063 1 9 . 1 1 111 111 ASN H H 111 7.890 7.890 7.624 0.266 19586 6064 1 9 . 1 1 112 112 LEU N N 112 118.227 118.227 116.721 1.506 19586 6065 1 9 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.634 -0.519 19586 6066 1 9 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.337 -1.684 19586 6067 1 9 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.024 -1.286 19586 6068 1 9 . 1 1 112 112 LEU H H 112 7.621 7.621 7.208 0.413 19586 6069 1 9 . 1 1 113 113 GLY N N 113 106.787 106.787 106.491 0.296 19586 6070 1 9 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.052 -2.516 19586 6071 1 9 . 1 1 113 113 GLY H H 113 7.701 7.701 7.479 0.222 19586 6072 1 9 . 1 1 114 114 GLU N N 114 120.288 120.288 118.971 1.317 19586 6073 1 9 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.513 -0.271 19586 6074 1 9 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.745 -1.678 19586 6075 1 9 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.272 -3.656 19586 6076 1 9 . 1 1 114 114 GLU H H 114 7.864 7.864 7.917 -0.053 19586 6077 1 9 . 1 1 115 115 LYS N N 115 124.987 124.987 125.994 -1.007 19586 6078 1 9 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.306 -0.083 19586 6079 1 9 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.407 -3.559 19586 6080 1 9 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.382 -0.425 19586 6081 1 9 . 1 1 115 115 LYS H H 115 8.491 8.491 8.414 0.077 19586 6082 1 9 . 1 1 116 116 LEU N N 116 124.912 124.912 121.719 3.193 19586 6083 1 9 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.768 -0.056 19586 6084 1 9 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.080 -1.991 19586 6085 1 9 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.110 -1.522 19586 6086 1 9 . 1 1 116 116 LEU H H 116 7.978 7.978 7.682 0.296 19586 6087 1 9 . 1 1 117 117 THR N N 117 114.220 114.220 114.572 -0.352 19586 6088 1 9 . 1 1 117 117 THR HA H 117 4.302 4.302 4.403 -0.101 19586 6089 1 9 . 1 1 117 117 THR CA C 117 57.834 57.834 60.969 -3.135 19586 6090 1 9 . 1 1 117 117 THR CB C 117 68.580 68.580 70.366 -1.786 19586 6091 1 9 . 1 1 117 117 THR H H 117 9.093 9.093 8.097 0.996 19586 6092 1 9 . 1 1 118 118 ASP N N 118 120.925 120.925 121.877 -0.952 19586 6093 1 9 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.259 -0.201 19586 6094 1 9 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.303 -3.060 19586 6095 1 9 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.844 -3.842 19586 6096 1 9 . 1 1 118 118 ASP H H 118 8.764 8.764 8.745 0.019 19586 6097 1 9 . 1 1 119 119 GLU N N 119 119.395 119.395 117.998 1.397 19586 6098 1 9 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.004 -0.077 19586 6099 1 9 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.191 -2.042 19586 6100 1 9 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.914 -2.983 19586 6101 1 9 . 1 1 119 119 GLU H H 119 8.509 8.509 8.780 -0.271 19586 6102 1 9 . 1 1 120 120 GLU N N 120 119.909 119.909 118.697 1.212 19586 6103 1 9 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.145 -0.249 19586 6104 1 9 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.715 -2.396 19586 6105 1 9 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.764 -3.934 19586 6106 1 9 . 1 1 120 120 GLU H H 120 7.585 7.585 7.834 -0.249 19586 6107 1 9 . 1 1 121 121 VAL N N 121 122.092 122.092 117.117 4.975 19586 6108 1 9 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.962 -0.520 19586 6109 1 9 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.334 -0.244 19586 6110 1 9 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.732 -3.052 19586 6111 1 9 . 1 1 121 121 VAL H H 121 7.849 7.849 7.240 0.609 19586 6112 1 9 . 1 1 122 122 ASP N N 122 120.167 120.167 120.882 -0.715 19586 6113 1 9 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.295 -0.138 19586 6114 1 9 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.318 -3.417 19586 6115 1 9 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.869 -3.297 19586 6116 1 9 . 1 1 122 122 ASP H H 122 7.912 7.912 8.827 -0.915 19586 6117 1 9 . 1 1 123 123 GLU N N 123 119.087 119.087 117.802 1.285 19586 6118 1 9 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.141 -0.245 19586 6119 1 9 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.757 -2.145 19586 6120 1 9 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.501 -3.329 19586 6121 1 9 . 1 1 123 123 GLU H H 123 7.839 7.839 7.717 0.122 19586 6122 1 9 . 1 1 124 124 MET N N 124 118.897 118.897 117.701 1.196 19586 6123 1 9 . 1 1 124 124 MET HA H 124 3.867 3.867 4.270 -0.403 19586 6124 1 9 . 1 1 124 124 MET CA C 124 56.905 56.905 59.032 -2.127 19586 6125 1 9 . 1 1 124 124 MET CB C 124 29.250 29.250 33.130 -3.880 19586 6126 1 9 . 1 1 124 124 MET H H 124 7.433 7.433 7.378 0.055 19586 6127 1 9 . 1 1 125 125 ILE N N 125 118.001 118.001 114.502 3.499 19586 6128 1 9 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.109 -0.729 19586 6129 1 9 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.305 -3.174 19586 6130 1 9 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.946 -4.706 19586 6131 1 9 . 1 1 125 125 ILE H H 125 7.658 7.658 8.350 -0.692 19586 6132 1 9 . 1 1 126 126 ARG N N 126 117.720 117.720 119.961 -2.241 19586 6133 1 9 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.031 -0.148 19586 6134 1 9 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.609 -2.936 19586 6135 1 9 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.152 -0.674 19586 6136 1 9 . 1 1 126 126 ARG H H 126 7.974 7.974 8.210 -0.236 19586 6137 1 9 . 1 1 127 127 GLU N N 127 117.050 117.050 116.671 0.379 19586 6138 1 9 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.203 -0.236 19586 6139 1 9 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.270 -1.951 19586 6140 1 9 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.595 -3.309 19586 6141 1 9 . 1 1 127 127 GLU H H 127 7.635 7.635 7.660 -0.025 19586 6142 1 9 . 1 1 128 128 ALA N N 128 116.966 116.966 120.376 -3.410 19586 6143 1 9 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.289 0.211 19586 6144 1 9 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.479 -4.274 19586 6145 1 9 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.948 0.157 19586 6146 1 9 . 1 1 128 128 ALA H H 128 7.155 7.155 7.337 -0.182 19586 6147 1 9 . 1 1 129 129 ASP N N 129 118.033 118.033 119.121 -1.088 19586 6148 1 9 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.909 -0.558 19586 6149 1 9 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.197 -1.375 19586 6150 1 9 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.922 -4.236 19586 6151 1 9 . 1 1 129 129 ASP H H 129 7.806 7.806 7.585 0.221 19586 6152 1 9 . 1 1 130 130 ILE N N 130 127.927 127.927 120.924 7.003 19586 6153 1 9 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.165 -0.368 19586 6154 1 9 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.857 -2.335 19586 6155 1 9 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.247 -2.157 19586 6156 1 9 . 1 1 130 130 ILE H H 130 8.115 8.115 8.547 -0.432 19586 6157 1 9 . 1 1 131 131 ASP N N 131 116.634 116.634 119.711 -3.077 19586 6158 1 9 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.695 -0.352 19586 6159 1 9 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.894 -2.707 19586 6160 1 9 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.463 -3.995 19586 6161 1 9 . 1 1 131 131 ASP H H 131 8.202 8.202 8.006 0.196 19586 6162 1 9 . 1 1 132 132 GLY N N 132 108.586 108.586 109.404 -0.818 19586 6163 1 9 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.968 -1.329 19586 6164 1 9 . 1 1 132 132 GLY H H 132 7.535 7.535 7.477 0.058 19586 6165 1 9 . 1 1 133 133 ASP N N 133 120.377 120.377 120.306 0.071 19586 6166 1 9 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.605 -0.254 19586 6167 1 9 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.704 -3.762 19586 6168 1 9 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.305 -3.847 19586 6169 1 9 . 1 1 133 133 ASP H H 133 8.215 8.215 8.822 -0.607 19586 6170 1 9 . 1 1 134 134 GLY N N 134 112.226 112.226 107.164 5.062 19586 6171 1 9 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.334 -2.212 19586 6172 1 9 . 1 1 134 134 GLY H H 134 9.971 9.971 8.550 1.421 19586 6173 1 9 . 1 1 135 135 GLN N N 135 115.229 115.229 117.116 -1.887 19586 6174 1 9 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.830 -0.699 19586 6175 1 9 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.601 -4.147 19586 6176 1 9 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.089 -3.475 19586 6177 1 9 . 1 1 135 135 GLN H H 135 7.835 7.835 7.544 0.291 19586 6178 1 9 . 1 1 136 136 VAL N N 136 125.238 125.238 121.635 3.603 19586 6179 1 9 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.339 0.757 19586 6180 1 9 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.016 -2.303 19586 6181 1 9 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.513 -2.097 19586 6182 1 9 . 1 1 136 136 VAL H H 136 8.958 8.958 8.974 -0.016 19586 6183 1 9 . 1 1 137 137 ASN N N 137 129.058 129.058 125.622 3.436 19586 6184 1 9 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.060 0.166 19586 6185 1 9 . 1 1 137 137 ASN CA C 137 48.352 48.352 53.524 -5.172 19586 6186 1 9 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.569 -3.929 19586 6187 1 9 . 1 1 137 137 ASN H H 137 9.435 9.435 8.758 0.677 19586 6188 1 9 . 1 1 138 138 TYR N N 138 118.627 118.627 120.040 -1.413 19586 6189 1 9 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.568 -1.376 19586 6190 1 9 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.277 -2.608 19586 6191 1 9 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.477 -0.906 19586 6192 1 9 . 1 1 138 138 TYR H H 138 8.146 8.146 8.428 -0.282 19586 6193 1 9 . 1 1 139 139 GLU N N 139 118.701 118.701 117.950 0.751 19586 6194 1 9 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.097 -0.586 19586 6195 1 9 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.499 -1.959 19586 6196 1 9 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.229 -2.955 19586 6197 1 9 . 1 1 139 139 GLU H H 139 7.974 7.974 8.767 -0.793 19586 6198 1 9 . 1 1 140 140 GLU N N 140 119.774 119.774 119.670 0.104 19586 6199 1 9 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.121 -0.210 19586 6200 1 9 . 1 1 140 140 GLU CA C 140 56.025 56.025 59.090 -3.066 19586 6201 1 9 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.576 -3.302 19586 6202 1 9 . 1 1 140 140 GLU H H 140 8.676 8.676 7.705 0.971 19586 6203 1 9 . 1 1 141 141 PHE N N 141 124.074 124.074 120.077 3.997 19586 6204 1 9 . 1 1 141 141 PHE HA H 141 3.647 3.647 3.946 -0.299 19586 6205 1 9 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.995 -1.548 19586 6206 1 9 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.836 -1.150 19586 6207 1 9 . 1 1 141 141 PHE H H 141 8.507 8.507 7.558 0.949 19586 6208 1 9 . 1 1 142 142 VAL N N 142 119.203 119.203 115.442 3.761 19586 6209 1 9 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.184 -0.226 19586 6210 1 9 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.390 -0.958 19586 6211 1 9 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.580 -1.672 19586 6212 1 9 . 1 1 142 142 VAL H H 142 8.639 8.639 7.341 1.298 19586 6213 1 9 . 1 1 143 143 GLN N N 143 120.173 120.173 120.495 -0.322 19586 6214 1 9 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.945 -0.274 19586 6215 1 9 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.843 -2.329 19586 6216 1 9 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.592 -3.346 19586 6217 1 9 . 1 1 143 143 GLN H H 143 7.818 7.818 7.443 0.375 19586 6218 1 9 . 1 1 144 144 MET N N 144 118.573 118.573 116.153 2.420 19586 6219 1 9 . 1 1 144 144 MET HA H 144 3.882 3.882 4.261 -0.379 19586 6220 1 9 . 1 1 144 144 MET CA C 144 55.683 55.683 57.312 -1.629 19586 6221 1 9 . 1 1 144 144 MET CB C 144 28.110 28.110 32.825 -4.715 19586 6222 1 9 . 1 1 144 144 MET H H 144 7.403 7.403 8.273 -0.870 19586 6223 1 9 . 1 1 145 145 MET N N 145 114.053 114.053 118.185 -4.132 19586 6224 1 9 . 1 1 145 145 MET HA H 145 3.940 3.940 4.278 -0.338 19586 6225 1 9 . 1 1 145 145 MET CA C 145 53.630 53.630 57.262 -3.632 19586 6226 1 9 . 1 1 145 145 MET CB C 145 29.592 29.592 31.770 -2.178 19586 6227 1 9 . 1 1 145 145 MET H H 145 7.534 7.534 7.145 0.389 19586 6228 1 9 . 1 1 146 146 THR N N 146 109.275 109.275 114.687 -5.412 19586 6229 1 9 . 1 1 146 146 THR HA H 146 4.175 4.175 4.122 0.053 19586 6230 1 9 . 1 1 146 146 THR CA C 146 59.251 59.251 64.331 -5.080 19586 6231 1 9 . 1 1 146 146 THR CB C 146 67.896 67.896 69.134 -1.238 19586 6232 1 9 . 1 1 146 146 THR H H 146 7.554 7.554 7.989 -0.435 19586 6233 1 9 . 1 1 147 147 ALA N N 147 126.913 126.913 122.242 4.671 19586 6234 1 9 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.518 -0.401 19586 6235 1 9 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.734 -0.427 19586 6236 1 9 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.285 -3.949 19586 6237 1 9 . 1 1 147 147 ALA H H 147 7.406 7.406 7.368 0.038 19586 6238 1 10 . 1 1 2 2 ASP N N 2 120.378 120.378 122.855 -2.477 19586 6239 1 10 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.866 -0.281 19586 6240 1 10 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.200 -2.240 19586 6241 1 10 . 1 1 2 2 ASP H H 2 8.506 8.506 8.516 -0.010 19586 6242 1 10 . 1 1 3 3 GLN N N 3 119.707 119.707 120.942 -1.235 19586 6243 1 10 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.662 -0.450 19586 6244 1 10 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.372 -2.637 19586 6245 1 10 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.885 -0.811 19586 6246 1 10 . 1 1 3 3 GLN H H 3 8.208 8.208 8.497 -0.289 19586 6247 1 10 . 1 1 4 4 LEU N N 4 123.069 123.069 121.147 1.922 19586 6248 1 10 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.790 -0.650 19586 6249 1 10 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.174 -3.516 19586 6250 1 10 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.712 -3.088 19586 6251 1 10 . 1 1 4 4 LEU H H 4 8.181 8.181 8.557 -0.376 19586 6252 1 10 . 1 1 5 5 THR N N 5 112.909 112.909 111.109 1.800 19586 6253 1 10 . 1 1 5 5 THR HA H 5 4.322 4.322 4.613 -0.291 19586 6254 1 10 . 1 1 5 5 THR CA C 5 57.687 57.687 63.594 -5.907 19586 6255 1 10 . 1 1 5 5 THR CB C 5 68.580 68.580 69.040 -0.460 19586 6256 1 10 . 1 1 5 5 THR H H 5 8.607 8.607 7.762 0.845 19586 6257 1 10 . 1 1 6 6 GLU N N 6 120.224 120.224 121.989 -1.765 19586 6258 1 10 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.210 -0.385 19586 6259 1 10 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.535 -2.288 19586 6260 1 10 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.067 0.069 19586 6261 1 10 . 1 1 6 6 GLU H H 6 8.877 8.877 8.716 0.161 19586 6262 1 10 . 1 1 7 7 GLU N N 7 119.350 119.350 116.988 2.362 19586 6263 1 10 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.304 -0.387 19586 6264 1 10 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.224 -1.026 19586 6265 1 10 . 1 1 7 7 GLU CB C 7 26.274 26.274 28.919 -2.645 19586 6266 1 10 . 1 1 7 7 GLU H H 7 8.524 8.524 8.700 -0.176 19586 6267 1 10 . 1 1 8 8 GLN N N 8 119.917 119.917 116.686 3.231 19586 6268 1 10 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.267 -0.364 19586 6269 1 10 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.747 -1.771 19586 6270 1 10 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.168 -2.768 19586 6271 1 10 . 1 1 8 8 GLN H H 8 7.603 7.603 7.635 -0.032 19586 6272 1 10 . 1 1 9 9 ILE N N 9 119.503 119.503 116.673 2.830 19586 6273 1 10 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.203 -0.564 19586 6274 1 10 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.668 2.128 19586 6275 1 10 . 1 1 9 9 ILE CB C 9 35.178 35.178 39.291 -4.113 19586 6276 1 10 . 1 1 9 9 ILE H H 9 8.260 8.260 7.481 0.779 19586 6277 1 10 . 1 1 10 10 ALA N N 10 121.044 121.044 122.922 -1.878 19586 6278 1 10 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.352 -0.391 19586 6279 1 10 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.708 -2.006 19586 6280 1 10 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.792 -3.678 19586 6281 1 10 . 1 1 10 10 ALA H H 10 7.840 7.840 8.383 -0.543 19586 6282 1 10 . 1 1 11 11 GLU N N 11 119.113 119.113 119.025 0.088 19586 6283 1 10 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.202 -0.294 19586 6284 1 10 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.968 -1.405 19586 6285 1 10 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.876 -3.476 19586 6286 1 10 . 1 1 11 11 GLU H H 11 7.635 7.635 8.197 -0.562 19586 6287 1 10 . 1 1 12 12 PHE N N 12 119.574 119.574 119.948 -0.374 19586 6288 1 10 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.372 0.414 19586 6289 1 10 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.475 -4.521 19586 6290 1 10 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.407 -4.343 19586 6291 1 10 . 1 1 12 12 PHE H H 12 8.441 8.441 7.950 0.491 19586 6292 1 10 . 1 1 13 13 LYS N N 13 123.454 123.454 118.896 4.558 19586 6293 1 10 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.419 -0.516 19586 6294 1 10 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.036 -0.740 19586 6295 1 10 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.054 -2.462 19586 6296 1 10 . 1 1 13 13 LYS H H 13 9.103 9.103 7.707 1.396 19586 6297 1 10 . 1 1 14 14 GLU N N 14 119.525 119.525 116.211 3.314 19586 6298 1 10 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.429 -0.518 19586 6299 1 10 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.781 -1.316 19586 6300 1 10 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.099 -3.597 19586 6301 1 10 . 1 1 14 14 GLU H H 14 7.667 7.667 7.968 -0.301 19586 6302 1 10 . 1 1 15 15 ALA N N 15 121.983 121.983 122.392 -0.409 19586 6303 1 10 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.212 -0.251 19586 6304 1 10 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.549 -1.798 19586 6305 1 10 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.895 -3.667 19586 6306 1 10 . 1 1 15 15 ALA H H 15 7.816 7.816 7.678 0.138 19586 6307 1 10 . 1 1 16 16 PHE N N 16 118.874 118.874 118.637 0.237 19586 6308 1 10 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.198 -1.103 19586 6309 1 10 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.688 -1.144 19586 6310 1 10 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.388 -2.614 19586 6311 1 10 . 1 1 16 16 PHE H H 16 8.764 8.764 8.502 0.262 19586 6312 1 10 . 1 1 17 17 SER N N 17 111.578 111.578 112.758 -1.180 19586 6313 1 10 . 1 1 17 17 SER HA H 17 3.979 3.979 4.272 -0.293 19586 6314 1 10 . 1 1 17 17 SER CA C 17 58.567 58.567 59.762 -1.195 19586 6315 1 10 . 1 1 17 17 SER CB C 17 60.600 60.600 62.750 -2.150 19586 6316 1 10 . 1 1 17 17 SER H H 17 7.825 7.825 8.689 -0.864 19586 6317 1 10 . 1 1 18 18 LEU N N 18 121.167 121.167 120.175 0.992 19586 6318 1 10 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.968 -0.021 19586 6319 1 10 . 1 1 18 18 LEU CA C 18 54.608 54.608 56.968 -2.360 19586 6320 1 10 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.035 -2.397 19586 6321 1 10 . 1 1 18 18 LEU H H 18 7.240 7.240 7.196 0.044 19586 6322 1 10 . 1 1 19 19 PHE N N 19 114.405 114.405 114.066 0.339 19586 6323 1 10 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.264 -0.353 19586 6324 1 10 . 1 1 19 19 PHE CA C 19 57.247 57.247 58.961 -1.714 19586 6325 1 10 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.456 -5.646 19586 6326 1 10 . 1 1 19 19 PHE H H 19 7.090 7.090 7.173 -0.083 19586 6327 1 10 . 1 1 20 20 ASP N N 20 115.823 115.823 119.750 -3.927 19586 6328 1 10 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.373 0.103 19586 6329 1 10 . 1 1 20 20 ASP CA C 20 49.476 49.476 53.574 -4.098 19586 6330 1 10 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.431 -2.649 19586 6331 1 10 . 1 1 20 20 ASP H H 20 7.662 7.662 7.957 -0.295 19586 6332 1 10 . 1 1 21 21 LYS N N 21 124.906 124.906 124.118 0.788 19586 6333 1 10 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.133 -0.347 19586 6334 1 10 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.105 -2.080 19586 6335 1 10 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.450 -2.750 19586 6336 1 10 . 1 1 21 21 LYS H H 21 7.539 7.539 7.986 -0.447 19586 6337 1 10 . 1 1 22 22 ASP N N 22 113.550 113.550 118.228 -4.678 19586 6338 1 10 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.630 -0.199 19586 6339 1 10 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.386 -5.421 19586 6340 1 10 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.309 -4.535 19586 6341 1 10 . 1 1 22 22 ASP H H 22 7.965 7.965 7.891 0.074 19586 6342 1 10 . 1 1 23 23 GLY N N 23 109.354 109.354 106.486 2.868 19586 6343 1 10 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.142 -1.700 19586 6344 1 10 . 1 1 23 23 GLY H H 23 7.606 7.606 9.048 -1.442 19586 6345 1 10 . 1 1 24 24 ASP N N 24 120.643 120.643 120.632 0.011 19586 6346 1 10 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.795 -0.440 19586 6347 1 10 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.822 -2.782 19586 6348 1 10 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.247 -3.561 19586 6349 1 10 . 1 1 24 24 ASP H H 24 8.266 8.266 8.180 0.086 19586 6350 1 10 . 1 1 25 25 GLY N N 25 113.205 113.205 107.577 5.628 19586 6351 1 10 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.321 -2.638 19586 6352 1 10 . 1 1 25 25 GLY H H 25 10.545 10.545 8.213 2.332 19586 6353 1 10 . 1 1 26 26 THR N N 26 112.852 112.852 110.648 2.204 19586 6354 1 10 . 1 1 26 26 THR HA H 26 5.170 5.170 5.384 -0.214 19586 6355 1 10 . 1 1 26 26 THR CA C 26 56.954 56.954 60.197 -3.243 19586 6356 1 10 . 1 1 26 26 THR CB C 26 69.948 69.948 71.901 -1.953 19586 6357 1 10 . 1 1 26 26 THR H H 26 8.020 8.020 8.317 -0.297 19586 6358 1 10 . 1 1 27 27 ILE N N 27 127.005 127.005 119.368 7.637 19586 6359 1 10 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.461 -0.634 19586 6360 1 10 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.935 -2.004 19586 6361 1 10 . 1 1 27 27 ILE CB C 27 37.230 37.230 38.723 -1.493 19586 6362 1 10 . 1 1 27 27 ILE H H 27 9.689 9.689 7.887 1.802 19586 6363 1 10 . 1 1 28 28 THR N N 28 116.439 116.439 120.934 -4.495 19586 6364 1 10 . 1 1 28 28 THR HA H 28 4.642 4.642 4.301 0.341 19586 6365 1 10 . 1 1 28 28 THR CA C 28 56.612 56.612 62.377 -5.765 19586 6366 1 10 . 1 1 28 28 THR CB C 28 69.606 69.606 69.570 0.036 19586 6367 1 10 . 1 1 28 28 THR H H 28 8.275 8.275 8.492 -0.217 19586 6368 1 10 . 1 1 29 29 THR N N 29 113.287 113.287 114.321 -1.034 19586 6369 1 10 . 1 1 29 29 THR HA H 29 3.635 3.635 4.134 -0.499 19586 6370 1 10 . 1 1 29 29 THR CA C 29 63.845 63.845 63.082 0.763 19586 6371 1 10 . 1 1 29 29 THR CB C 29 65.616 65.616 68.982 -3.366 19586 6372 1 10 . 1 1 29 29 THR H H 29 9.054 9.054 8.450 0.604 19586 6373 1 10 . 1 1 30 30 LYS N N 30 121.230 121.230 120.569 0.661 19586 6374 1 10 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.314 -0.411 19586 6375 1 10 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.630 -2.165 19586 6376 1 10 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.445 -2.745 19586 6377 1 10 . 1 1 30 30 LYS H H 30 7.578 7.578 8.204 -0.626 19586 6378 1 10 . 1 1 31 31 GLU N N 31 122.002 122.002 118.377 3.625 19586 6379 1 10 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.276 -0.413 19586 6380 1 10 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.688 -0.539 19586 6381 1 10 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.366 -2.308 19586 6382 1 10 . 1 1 31 31 GLU H H 31 7.712 7.712 8.574 -0.862 19586 6383 1 10 . 1 1 32 32 LEU N N 32 119.130 119.130 117.211 1.919 19586 6384 1 10 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.100 -0.175 19586 6385 1 10 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.535 -1.006 19586 6386 1 10 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.007 -0.026 19586 6387 1 10 . 1 1 32 32 LEU H H 32 8.509 8.509 7.599 0.910 19586 6388 1 10 . 1 1 33 33 GLY N N 33 103.747 103.747 104.225 -0.478 19586 6389 1 10 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.613 0.051 19586 6390 1 10 . 1 1 33 33 GLY H H 33 8.388 8.388 8.238 0.150 19586 6391 1 10 . 1 1 34 34 THR N N 34 117.487 117.487 116.371 1.116 19586 6392 1 10 . 1 1 34 34 THR HA H 34 3.795 3.795 4.278 -0.483 19586 6393 1 10 . 1 1 34 34 THR CA C 34 64.285 64.285 62.805 1.480 19586 6394 1 10 . 1 1 34 34 THR CB C 34 66.186 66.186 68.641 -2.455 19586 6395 1 10 . 1 1 34 34 THR H H 34 7.935 7.935 7.802 0.133 19586 6396 1 10 . 1 1 35 35 VAL N N 35 120.287 120.287 119.345 0.942 19586 6397 1 10 . 1 1 35 35 VAL H H 35 7.089 7.089 7.296 -0.207 19586 6398 1 10 . 1 1 36 36 MET N N 36 117.816 117.816 118.633 -0.817 19586 6399 1 10 . 1 1 36 36 MET HA H 36 3.911 3.911 4.228 -0.317 19586 6400 1 10 . 1 1 36 36 MET CA C 36 57.101 57.101 58.657 -1.556 19586 6401 1 10 . 1 1 36 36 MET CB C 36 29.929 29.929 32.298 -2.369 19586 6402 1 10 . 1 1 36 36 MET H H 36 8.318 8.318 8.148 0.170 19586 6403 1 10 . 1 1 37 37 ARG N N 37 117.706 117.706 118.389 -0.683 19586 6404 1 10 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.089 0.609 19586 6405 1 10 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.407 -2.235 19586 6406 1 10 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.882 -2.798 19586 6407 1 10 . 1 1 37 37 ARG H H 37 8.233 8.233 7.771 0.462 19586 6408 1 10 . 1 1 38 38 SER N N 38 118.974 118.974 113.947 5.027 19586 6409 1 10 . 1 1 38 38 SER HA H 38 4.187 4.187 4.382 -0.195 19586 6410 1 10 . 1 1 38 38 SER CA C 38 59.251 59.251 60.077 -0.826 19586 6411 1 10 . 1 1 38 38 SER CB C 38 67.782 67.782 63.876 3.906 19586 6412 1 10 . 1 1 38 38 SER H H 38 7.874 7.874 7.551 0.323 19586 6413 1 10 . 1 1 39 39 LEU N N 39 118.835 118.835 122.064 -3.229 19586 6414 1 10 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.394 -0.255 19586 6415 1 10 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.773 -3.440 19586 6416 1 10 . 1 1 39 39 LEU CB C 39 39.638 39.638 41.793 -2.155 19586 6417 1 10 . 1 1 39 39 LEU H H 39 7.248 7.248 7.535 -0.287 19586 6418 1 10 . 1 1 40 40 GLY N N 40 104.990 104.990 107.453 -2.463 19586 6419 1 10 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.684 -2.806 19586 6420 1 10 . 1 1 40 40 GLY H H 40 7.471 7.471 7.976 -0.505 19586 6421 1 10 . 1 1 41 41 GLN N N 41 118.032 118.032 119.506 -1.474 19586 6422 1 10 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.657 -0.287 19586 6423 1 10 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.721 -3.534 19586 6424 1 10 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.239 -0.621 19586 6425 1 10 . 1 1 41 41 GLN H H 41 7.860 7.860 7.744 0.116 19586 6426 1 10 . 1 1 42 42 ASN N N 42 115.671 115.671 117.479 -1.808 19586 6427 1 10 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.000 0.094 19586 6428 1 10 . 1 1 42 42 ASN CA C 42 48.694 48.694 51.154 -2.460 19586 6429 1 10 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.231 -3.677 19586 6430 1 10 . 1 1 42 42 ASN H H 42 8.561 8.561 8.456 0.105 19586 6431 1 10 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.765 -0.054 19586 6432 1 10 . 1 1 44 44 THR N N 44 113.509 113.509 121.114 -7.605 19586 6433 1 10 . 1 1 44 44 THR HA H 44 4.321 4.321 4.379 -0.058 19586 6434 1 10 . 1 1 44 44 THR CA C 44 57.638 57.638 62.006 -4.368 19586 6435 1 10 . 1 1 44 44 THR CB C 44 68.466 68.466 67.841 0.625 19586 6436 1 10 . 1 1 44 44 THR H H 44 8.882 8.882 8.643 0.239 19586 6437 1 10 . 1 1 45 45 GLU N N 45 120.506 120.506 127.480 -6.974 19586 6438 1 10 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.842 0.038 19586 6439 1 10 . 1 1 45 45 GLU CA C 45 57.101 57.101 60.050 -2.949 19586 6440 1 10 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.741 -3.467 19586 6441 1 10 . 1 1 45 45 GLU H H 45 8.662 8.662 8.113 0.549 19586 6442 1 10 . 1 1 46 46 ALA N N 46 120.586 120.586 119.657 0.929 19586 6443 1 10 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.166 -0.241 19586 6444 1 10 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.572 -2.261 19586 6445 1 10 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.430 -3.350 19586 6446 1 10 . 1 1 46 46 ALA H H 46 8.139 8.139 8.303 -0.164 19586 6447 1 10 . 1 1 47 47 GLU N N 47 118.171 118.171 118.873 -0.702 19586 6448 1 10 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.121 -0.245 19586 6449 1 10 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.890 -2.620 19586 6450 1 10 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.625 -3.339 19586 6451 1 10 . 1 1 47 47 GLU H H 47 7.597 7.597 7.506 0.091 19586 6452 1 10 . 1 1 48 48 LEU N N 48 120.228 120.228 116.044 4.184 19586 6453 1 10 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.034 -0.107 19586 6454 1 10 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.949 -2.901 19586 6455 1 10 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.195 -0.214 19586 6456 1 10 . 1 1 48 48 LEU H H 48 7.848 7.848 7.869 -0.021 19586 6457 1 10 . 1 1 49 49 GLN N N 49 117.910 117.910 119.117 -1.207 19586 6458 1 10 . 1 1 49 49 GLN HA H 49 3.901 3.901 3.988 -0.087 19586 6459 1 10 . 1 1 49 49 GLN CA C 49 55.732 55.732 59.110 -3.378 19586 6460 1 10 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.393 -0.511 19586 6461 1 10 . 1 1 49 49 GLN H H 49 8.037 8.037 8.086 -0.049 19586 6462 1 10 . 1 1 50 50 ASP N N 50 119.284 119.284 118.200 1.084 19586 6463 1 10 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.496 -0.339 19586 6464 1 10 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.449 -1.743 19586 6465 1 10 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.581 -3.010 19586 6466 1 10 . 1 1 50 50 ASP H H 50 8.010 8.010 7.715 0.295 19586 6467 1 10 . 1 1 51 51 MET N N 51 119.245 119.245 118.038 1.207 19586 6468 1 10 . 1 1 51 51 MET HA H 51 3.923 3.923 4.491 -0.568 19586 6469 1 10 . 1 1 51 51 MET CA C 51 56.563 56.563 56.674 -0.111 19586 6470 1 10 . 1 1 51 51 MET CB C 51 29.478 29.478 33.962 -4.484 19586 6471 1 10 . 1 1 51 51 MET H H 51 7.614 7.614 7.411 0.203 19586 6472 1 10 . 1 1 52 52 ILE N N 52 117.584 117.584 119.922 -2.338 19586 6473 1 10 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.718 -0.390 19586 6474 1 10 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.183 -3.293 19586 6475 1 10 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.763 -3.269 19586 6476 1 10 . 1 1 52 52 ILE H H 52 7.514 7.514 9.049 -1.534 19586 6477 1 10 . 1 1 53 53 ASN N N 53 117.126 117.126 118.014 -0.888 19586 6478 1 10 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.664 -0.442 19586 6479 1 10 . 1 1 53 53 ASN CA C 53 53.093 53.093 55.852 -2.759 19586 6480 1 10 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.719 -3.427 19586 6481 1 10 . 1 1 53 53 ASN H H 53 8.418 8.418 7.653 0.765 19586 6482 1 10 . 1 1 54 54 GLU N N 54 116.380 116.380 116.333 0.047 19586 6483 1 10 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.268 -0.365 19586 6484 1 10 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.121 -1.998 19586 6485 1 10 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.461 -4.061 19586 6486 1 10 . 1 1 54 54 GLU H H 54 7.466 7.466 8.299 -0.833 19586 6487 1 10 . 1 1 55 55 VAL N N 55 108.622 108.622 112.139 -3.517 19586 6488 1 10 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.274 0.040 19586 6489 1 10 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.714 -3.538 19586 6490 1 10 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.638 -1.476 19586 6491 1 10 . 1 1 55 55 VAL H H 55 7.044 7.044 7.726 -0.682 19586 6492 1 10 . 1 1 56 56 ASP N N 56 121.430 121.430 120.903 0.527 19586 6493 1 10 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.607 -0.217 19586 6494 1 10 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.925 -1.934 19586 6495 1 10 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.557 -1.661 19586 6496 1 10 . 1 1 56 56 ASP H H 56 7.561 7.561 7.881 -0.321 19586 6497 1 10 . 1 1 57 57 ALA N N 57 131.840 131.840 124.388 7.452 19586 6498 1 10 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.139 -0.086 19586 6499 1 10 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.488 -3.008 19586 6500 1 10 . 1 1 57 57 ALA CB C 57 16.793 16.793 18.964 -2.171 19586 6501 1 10 . 1 1 57 57 ALA H H 57 8.357 8.357 8.191 0.166 19586 6502 1 10 . 1 1 58 58 ASP N N 58 113.565 113.565 116.954 -3.389 19586 6503 1 10 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.701 -0.211 19586 6504 1 10 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.175 -3.259 19586 6505 1 10 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.306 -4.532 19586 6506 1 10 . 1 1 58 58 ASP H H 58 7.985 7.985 8.233 -0.248 19586 6507 1 10 . 1 1 59 59 GLY N N 59 108.187 108.187 109.438 -1.251 19586 6508 1 10 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.214 -1.723 19586 6509 1 10 . 1 1 59 59 GLY H H 59 7.424 7.424 7.664 -0.240 19586 6510 1 10 . 1 1 60 60 ASN N N 60 118.065 118.065 121.118 -3.053 19586 6511 1 10 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.714 -0.268 19586 6512 1 10 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.292 -3.523 19586 6513 1 10 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.172 -2.618 19586 6514 1 10 . 1 1 60 60 ASN H H 60 7.919 7.919 8.517 -0.598 19586 6515 1 10 . 1 1 61 61 GLY N N 61 113.247 113.247 106.729 6.518 19586 6516 1 10 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.309 -3.431 19586 6517 1 10 . 1 1 61 61 GLY H H 61 10.485 10.485 8.607 1.878 19586 6518 1 10 . 1 1 62 62 THR N N 62 108.699 108.699 111.461 -2.762 19586 6519 1 10 . 1 1 62 62 THR HA H 62 4.580 4.580 4.453 0.127 19586 6520 1 10 . 1 1 62 62 THR CA C 62 56.661 56.661 60.133 -3.472 19586 6521 1 10 . 1 1 62 62 THR H H 62 7.511 7.511 7.270 0.241 19586 6522 1 10 . 1 1 63 63 ILE N N 63 122.834 122.834 119.847 2.987 19586 6523 1 10 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.495 0.559 19586 6524 1 10 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.248 -2.147 19586 6525 1 10 . 1 1 63 63 ILE CB C 63 37.344 37.344 42.048 -4.704 19586 6526 1 10 . 1 1 63 63 ILE H H 63 8.741 8.741 8.084 0.657 19586 6527 1 10 . 1 1 64 64 ASP N N 64 127.818 127.818 121.603 6.215 19586 6528 1 10 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.312 -0.074 19586 6529 1 10 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.187 -2.809 19586 6530 1 10 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.787 -7.005 19586 6531 1 10 . 1 1 64 64 ASP H H 64 8.702 8.702 8.543 0.159 19586 6532 1 10 . 1 1 65 65 PHE N N 65 118.653 118.653 119.501 -0.848 19586 6533 1 10 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.178 -0.317 19586 6534 1 10 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.329 -2.612 19586 6535 1 10 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.338 -4.212 19586 6536 1 10 . 1 1 65 65 PHE H H 65 8.847 8.847 8.858 -0.011 19586 6537 1 10 . 1 1 67 67 GLU N N 67 117.631 117.631 117.561 0.070 19586 6538 1 10 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.108 -0.205 19586 6539 1 10 . 1 1 67 67 GLU CA C 67 56.337 56.337 59.144 -2.807 19586 6540 1 10 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.901 -2.856 19586 6541 1 10 . 1 1 67 67 GLU H H 67 7.940 7.940 8.871 -0.931 19586 6542 1 10 . 1 1 68 68 PHE N N 68 123.289 123.289 119.330 3.959 19586 6543 1 10 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.378 -0.538 19586 6544 1 10 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.419 -1.692 19586 6545 1 10 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.456 -1.884 19586 6546 1 10 . 1 1 68 68 PHE H H 68 8.757 8.757 7.634 1.123 19586 6547 1 10 . 1 1 69 69 LEU N N 69 118.867 118.867 117.561 1.306 19586 6548 1 10 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.132 -0.887 19586 6549 1 10 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.505 -2.348 19586 6550 1 10 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.481 -3.225 19586 6551 1 10 . 1 1 69 69 LEU H H 69 8.403 8.403 7.713 0.690 19586 6552 1 10 . 1 1 70 70 THR N N 70 116.302 116.302 112.271 4.031 19586 6553 1 10 . 1 1 70 70 THR HA H 70 3.624 3.624 4.053 -0.429 19586 6554 1 10 . 1 1 70 70 THR CA C 70 63.843 63.843 65.582 -1.739 19586 6555 1 10 . 1 1 70 70 THR CB C 70 65.502 65.502 68.580 -3.078 19586 6556 1 10 . 1 1 70 70 THR H H 70 7.540 7.540 7.450 0.090 19586 6557 1 10 . 1 1 71 71 MET N N 71 121.710 121.710 121.015 0.695 19586 6558 1 10 . 1 1 71 71 MET HA H 71 3.903 3.903 4.256 -0.353 19586 6559 1 10 . 1 1 71 71 MET CA C 71 56.303 56.303 57.895 -1.591 19586 6560 1 10 . 1 1 71 71 MET CB C 71 29.706 29.706 31.532 -1.826 19586 6561 1 10 . 1 1 71 71 MET H H 71 7.723 7.723 7.526 0.197 19586 6562 1 10 . 1 1 72 72 MET N N 72 116.535 116.535 117.969 -1.434 19586 6563 1 10 . 1 1 72 72 MET HA H 72 3.773 3.773 4.250 -0.477 19586 6564 1 10 . 1 1 72 72 MET CA C 72 53.307 53.307 56.629 -3.322 19586 6565 1 10 . 1 1 72 72 MET CB C 72 28.787 28.787 31.996 -3.209 19586 6566 1 10 . 1 1 72 72 MET H H 72 7.982 7.982 7.490 0.492 19586 6567 1 10 . 1 1 73 73 ALA N N 73 121.584 121.584 123.488 -1.904 19586 6568 1 10 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.060 -0.180 19586 6569 1 10 . 1 1 73 73 ALA CA C 73 52.095 52.095 55.219 -3.124 19586 6570 1 10 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.009 -2.667 19586 6571 1 10 . 1 1 73 73 ALA H H 73 8.074 8.074 7.756 0.318 19586 6572 1 10 . 1 1 74 74 ARG N N 74 115.784 115.784 117.630 -1.846 19586 6573 1 10 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.119 -0.216 19586 6574 1 10 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.424 -2.693 19586 6575 1 10 . 1 1 74 74 ARG CB C 74 27.987 27.987 29.867 -1.880 19586 6576 1 10 . 1 1 74 74 ARG H H 74 7.358 7.358 7.846 -0.488 19586 6577 1 10 . 1 1 75 75 LYS N N 75 117.245 117.245 118.497 -1.252 19586 6578 1 10 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.245 -0.296 19586 6579 1 10 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.750 -3.803 19586 6580 1 10 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.587 -6.186 19586 6581 1 10 . 1 1 75 75 LYS H H 75 7.640 7.640 7.529 0.111 19586 6582 1 10 . 1 1 76 76 MET N N 76 117.971 117.971 115.656 2.315 19586 6583 1 10 . 1 1 76 76 MET HA H 76 4.242 4.242 4.656 -0.414 19586 6584 1 10 . 1 1 76 76 MET CA C 76 53.947 53.947 55.483 -1.536 19586 6585 1 10 . 1 1 76 76 MET CB C 76 29.478 29.478 31.564 -2.086 19586 6586 1 10 . 1 1 76 76 MET H H 76 7.794 7.794 7.939 -0.145 19586 6587 1 10 . 1 1 77 77 LYS N N 77 119.902 119.902 123.087 -3.185 19586 6588 1 10 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.365 -0.213 19586 6589 1 10 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.389 -2.107 19586 6590 1 10 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.835 -1.357 19586 6591 1 10 . 1 1 77 77 LYS H H 77 7.622 7.622 7.493 0.129 19586 6592 1 10 . 1 1 78 78 ASP N N 78 119.146 119.146 120.330 -1.184 19586 6593 1 10 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.375 -0.132 19586 6594 1 10 . 1 1 78 78 ASP CA C 78 52.061 52.061 55.340 -3.279 19586 6595 1 10 . 1 1 78 78 ASP H H 78 7.991 7.991 8.418 -0.427 19586 6596 1 10 . 1 1 79 79 THR N N 79 112.750 112.750 111.797 0.953 19586 6597 1 10 . 1 1 79 79 THR HA H 79 4.170 4.170 4.365 -0.195 19586 6598 1 10 . 1 1 79 79 THR CA C 79 59.030 59.030 62.080 -3.050 19586 6599 1 10 . 1 1 79 79 THR CB C 79 67.668 67.668 69.930 -2.262 19586 6600 1 10 . 1 1 79 79 THR H H 79 7.587 7.587 7.674 -0.087 19586 6601 1 10 . 1 1 80 80 ASP N N 80 122.888 122.888 122.758 0.130 19586 6602 1 10 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.765 -0.394 19586 6603 1 10 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.492 -3.642 19586 6604 1 10 . 1 1 80 80 ASP CB C 80 37.353 37.353 41.850 -4.497 19586 6605 1 10 . 1 1 80 80 ASP H H 80 8.354 8.354 8.439 -0.085 19586 6606 1 10 . 1 1 81 81 SER N N 81 117.571 117.571 115.578 1.993 19586 6607 1 10 . 1 1 81 81 SER HA H 81 4.115 4.115 4.310 -0.195 19586 6608 1 10 . 1 1 81 81 SER CA C 81 57.717 57.717 60.320 -2.603 19586 6609 1 10 . 1 1 81 81 SER CB C 81 60.884 60.884 64.178 -3.294 19586 6610 1 10 . 1 1 81 81 SER H H 81 8.232 8.232 8.523 -0.291 19586 6611 1 10 . 1 1 82 82 GLU N N 82 121.860 121.860 122.383 -0.523 19586 6612 1 10 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.066 -0.183 19586 6613 1 10 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.540 -2.833 19586 6614 1 10 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.235 0.357 19586 6615 1 10 . 1 1 82 82 GLU H H 82 8.364 8.364 8.779 -0.415 19586 6616 1 10 . 1 1 83 83 GLU N N 83 119.398 119.398 117.471 1.927 19586 6617 1 10 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.119 -0.236 19586 6618 1 10 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.342 -2.736 19586 6619 1 10 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.332 0.032 19586 6620 1 10 . 1 1 83 83 GLU H H 83 8.032 8.032 8.879 -0.847 19586 6621 1 10 . 1 1 84 84 GLU N N 84 118.279 118.279 118.905 -0.626 19586 6622 1 10 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.422 -0.551 19586 6623 1 10 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.176 -1.570 19586 6624 1 10 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.654 -3.837 19586 6625 1 10 . 1 1 84 84 GLU H H 84 8.153 8.153 7.784 0.369 19586 6626 1 10 . 1 1 85 85 ILE N N 85 120.970 120.970 120.267 0.703 19586 6627 1 10 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.983 -0.371 19586 6628 1 10 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.859 -1.420 19586 6629 1 10 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.583 -3.974 19586 6630 1 10 . 1 1 85 85 ILE H H 85 7.927 7.927 8.063 -0.136 19586 6631 1 10 . 1 1 86 86 ARG N N 86 121.766 121.766 118.573 3.193 19586 6632 1 10 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.216 -0.208 19586 6633 1 10 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.291 -1.776 19586 6634 1 10 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.746 -2.890 19586 6635 1 10 . 1 1 86 86 ARG H H 86 8.233 8.233 8.466 -0.233 19586 6636 1 10 . 1 1 87 87 GLU N N 87 118.369 118.369 118.200 0.169 19586 6637 1 10 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.243 -0.341 19586 6638 1 10 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.473 -0.867 19586 6639 1 10 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.118 -3.301 19586 6640 1 10 . 1 1 87 87 GLU H H 87 8.156 8.156 7.855 0.301 19586 6641 1 10 . 1 1 88 88 ALA N N 88 120.337 120.337 119.185 1.152 19586 6642 1 10 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.678 -0.729 19586 6643 1 10 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.612 -0.349 19586 6644 1 10 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.331 -5.251 19586 6645 1 10 . 1 1 88 88 ALA H H 88 7.877 7.877 7.633 0.244 19586 6646 1 10 . 1 1 89 89 PHE N N 89 118.191 118.191 120.887 -2.696 19586 6647 1 10 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.291 -1.176 19586 6648 1 10 . 1 1 89 89 PHE CA C 89 59.703 59.703 62.461 -2.758 19586 6649 1 10 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.587 -2.813 19586 6650 1 10 . 1 1 89 89 PHE H H 89 8.459 8.459 7.881 0.578 19586 6651 1 10 . 1 1 90 90 ARG N N 90 115.953 115.953 117.138 -1.185 19586 6652 1 10 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.389 -0.484 19586 6653 1 10 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.595 -2.427 19586 6654 1 10 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.825 -2.171 19586 6655 1 10 . 1 1 90 90 ARG H H 90 7.764 7.764 7.977 -0.213 19586 6656 1 10 . 1 1 91 91 VAL N N 91 118.202 118.202 117.975 0.227 19586 6657 1 10 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.850 -0.565 19586 6658 1 10 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.559 -1.202 19586 6659 1 10 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.794 -3.350 19586 6660 1 10 . 1 1 91 91 VAL H H 91 7.229 7.229 7.679 -0.450 19586 6661 1 10 . 1 1 92 92 PHE N N 92 112.447 112.447 118.033 -5.586 19586 6662 1 10 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.302 -0.357 19586 6663 1 10 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.211 -1.181 19586 6664 1 10 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.232 -1.394 19586 6665 1 10 . 1 1 92 92 PHE H H 92 6.699 6.699 7.188 -0.489 19586 6666 1 10 . 1 1 93 93 ASP N N 93 116.461 116.461 118.328 -1.867 19586 6667 1 10 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.582 -0.106 19586 6668 1 10 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.959 -4.434 19586 6669 1 10 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.728 -5.545 19586 6670 1 10 . 1 1 93 93 ASP H H 93 7.881 7.881 8.434 -0.553 19586 6671 1 10 . 1 1 94 94 LYS N N 94 125.494 125.494 124.410 1.084 19586 6672 1 10 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.077 -0.409 19586 6673 1 10 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.648 -2.672 19586 6674 1 10 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.300 -0.886 19586 6675 1 10 . 1 1 94 94 LYS H H 94 7.596 7.596 8.560 -0.964 19586 6676 1 10 . 1 1 95 95 ASP N N 95 114.015 114.015 117.818 -3.803 19586 6677 1 10 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.638 -0.223 19586 6678 1 10 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.924 -4.617 19586 6679 1 10 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.770 -4.996 19586 6680 1 10 . 1 1 95 95 ASP H H 95 8.097 8.097 7.916 0.181 19586 6681 1 10 . 1 1 96 96 GLY N N 96 109.147 109.147 107.428 1.719 19586 6682 1 10 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.301 -0.957 19586 6683 1 10 . 1 1 96 96 GLY H H 96 7.677 7.677 8.529 -0.852 19586 6684 1 10 . 1 1 97 97 ASN N N 97 119.575 119.575 118.729 0.846 19586 6685 1 10 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.928 -0.428 19586 6686 1 10 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.594 -2.678 19586 6687 1 10 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.022 -3.839 19586 6688 1 10 . 1 1 97 97 ASN H H 97 8.252 8.252 8.291 -0.039 19586 6689 1 10 . 1 1 98 98 GLY N N 98 112.465 112.465 105.959 6.506 19586 6690 1 10 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.833 -3.541 19586 6691 1 10 . 1 1 98 98 GLY H H 98 10.462 10.462 8.392 2.070 19586 6692 1 10 . 1 1 99 99 TYR N N 99 116.256 116.256 118.038 -1.782 19586 6693 1 10 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.869 0.013 19586 6694 1 10 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.856 -3.274 19586 6695 1 10 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.908 -1.927 19586 6696 1 10 . 1 1 99 99 TYR H H 99 7.557 7.557 7.660 -0.103 19586 6697 1 10 . 1 1 100 100 ILE N N 100 126.957 126.957 121.600 5.357 19586 6698 1 10 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.297 0.160 19586 6699 1 10 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.980 -2.364 19586 6700 1 10 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.770 -3.338 19586 6701 1 10 . 1 1 100 100 ILE H H 100 9.972 9.972 9.152 0.820 19586 6702 1 10 . 1 1 101 101 SER N N 101 123.739 123.739 123.241 0.498 19586 6703 1 10 . 1 1 101 101 SER HA H 101 4.711 4.711 4.440 0.271 19586 6704 1 10 . 1 1 101 101 SER CA C 101 52.897 52.897 58.906 -6.009 19586 6705 1 10 . 1 1 101 101 SER CB C 101 64.134 64.134 64.192 -0.058 19586 6706 1 10 . 1 1 101 101 SER H H 101 8.844 8.844 8.635 0.209 19586 6707 1 10 . 1 1 102 102 ALA N N 102 123.028 123.028 127.208 -4.180 19586 6708 1 10 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.206 -0.495 19586 6709 1 10 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.885 -1.792 19586 6710 1 10 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.896 -3.782 19586 6711 1 10 . 1 1 102 102 ALA H H 102 9.178 9.178 8.636 0.542 19586 6712 1 10 . 1 1 103 103 ALA N N 103 118.443 118.443 118.416 0.027 19586 6713 1 10 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.350 -0.489 19586 6714 1 10 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.618 -0.209 19586 6715 1 10 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.712 -2.256 19586 6716 1 10 . 1 1 103 103 ALA H H 103 8.132 8.132 8.354 -0.222 19586 6717 1 10 . 1 1 104 104 GLU N N 104 120.139 120.139 120.725 -0.586 19586 6718 1 10 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.162 -0.323 19586 6719 1 10 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.475 -2.913 19586 6720 1 10 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.658 -3.258 19586 6721 1 10 . 1 1 104 104 GLU H H 104 7.786 7.786 7.660 0.126 19586 6722 1 10 . 1 1 105 105 LEU N N 105 121.545 121.545 119.172 2.373 19586 6723 1 10 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.943 -0.041 19586 6724 1 10 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.056 -2.324 19586 6725 1 10 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.796 -1.587 19586 6726 1 10 . 1 1 105 105 LEU H H 105 8.240 8.240 8.155 0.085 19586 6727 1 10 . 1 1 106 106 ARG N N 106 118.625 118.625 115.988 2.637 19586 6728 1 10 . 1 1 106 106 ARG HA H 106 3.839 3.839 4.103 -0.264 19586 6729 1 10 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.873 -1.528 19586 6730 1 10 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.676 0.714 19586 6731 1 10 . 1 1 106 106 ARG H H 106 8.761 8.761 8.215 0.546 19586 6732 1 10 . 1 1 107 107 HIS N N 107 119.052 119.052 117.800 1.252 19586 6733 1 10 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.405 -0.503 19586 6734 1 10 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.464 -2.657 19586 6735 1 10 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.625 -3.427 19586 6736 1 10 . 1 1 107 107 HIS H H 107 7.946 7.946 7.538 0.408 19586 6737 1 10 . 1 1 108 108 VAL N N 108 119.160 119.160 119.975 -0.815 19586 6738 1 10 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.731 -0.289 19586 6739 1 10 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.118 -1.833 19586 6740 1 10 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.713 -2.805 19586 6741 1 10 . 1 1 108 108 VAL H H 108 7.736 7.736 8.942 -1.206 19586 6742 1 10 . 1 1 109 109 MET N N 109 115.333 115.333 118.751 -3.418 19586 6743 1 10 . 1 1 109 109 MET HA H 109 4.139 4.139 3.929 0.210 19586 6744 1 10 . 1 1 109 109 MET CA C 109 54.686 54.686 58.020 -3.334 19586 6745 1 10 . 1 1 109 109 MET CB C 109 29.706 29.706 31.597 -1.891 19586 6746 1 10 . 1 1 109 109 MET H H 109 8.074 8.074 8.094 -0.020 19586 6747 1 10 . 1 1 110 110 THR N N 110 116.714 116.714 114.540 2.174 19586 6748 1 10 . 1 1 110 110 THR HA H 110 3.935 3.935 4.078 -0.143 19586 6749 1 10 . 1 1 110 110 THR CA C 110 63.845 63.845 65.616 -1.771 19586 6750 1 10 . 1 1 110 110 THR CB C 110 66.072 66.072 68.396 -2.324 19586 6751 1 10 . 1 1 110 110 THR H H 110 8.515 8.515 7.627 0.888 19586 6752 1 10 . 1 1 111 111 ASN N N 111 123.784 123.784 120.096 3.688 19586 6753 1 10 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.565 -0.323 19586 6754 1 10 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.158 -2.065 19586 6755 1 10 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.129 -2.837 19586 6756 1 10 . 1 1 111 111 ASN H H 111 7.890 7.890 7.508 0.382 19586 6757 1 10 . 1 1 112 112 LEU N N 112 118.227 118.227 116.146 2.081 19586 6758 1 10 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.249 -0.134 19586 6759 1 10 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.161 -2.508 19586 6760 1 10 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.140 -2.402 19586 6761 1 10 . 1 1 112 112 LEU H H 112 7.621 7.621 7.429 0.192 19586 6762 1 10 . 1 1 113 113 GLY N N 113 106.787 106.787 105.807 0.980 19586 6763 1 10 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.907 -2.371 19586 6764 1 10 . 1 1 113 113 GLY H H 113 7.701 7.701 7.467 0.234 19586 6765 1 10 . 1 1 114 114 GLU N N 114 120.288 120.288 118.820 1.468 19586 6766 1 10 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.537 -0.295 19586 6767 1 10 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.654 -1.587 19586 6768 1 10 . 1 1 114 114 GLU CB C 114 26.616 26.616 29.908 -3.292 19586 6769 1 10 . 1 1 114 114 GLU H H 114 7.864 7.864 7.787 0.077 19586 6770 1 10 . 1 1 115 115 LYS N N 115 124.987 124.987 125.583 -0.596 19586 6771 1 10 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.252 -0.029 19586 6772 1 10 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.398 -3.550 19586 6773 1 10 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.457 -0.500 19586 6774 1 10 . 1 1 115 115 LYS H H 115 8.491 8.491 8.410 0.081 19586 6775 1 10 . 1 1 116 116 LEU N N 116 124.912 124.912 122.190 2.722 19586 6776 1 10 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.743 -0.031 19586 6777 1 10 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.120 -2.031 19586 6778 1 10 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.211 -1.623 19586 6779 1 10 . 1 1 116 116 LEU H H 116 7.978 7.978 7.845 0.133 19586 6780 1 10 . 1 1 117 117 THR N N 117 114.220 114.220 114.453 -0.233 19586 6781 1 10 . 1 1 117 117 THR HA H 117 4.302 4.302 4.289 0.013 19586 6782 1 10 . 1 1 117 117 THR CA C 117 57.834 57.834 60.400 -2.566 19586 6783 1 10 . 1 1 117 117 THR CB C 117 68.580 68.580 70.467 -1.887 19586 6784 1 10 . 1 1 117 117 THR H H 117 9.093 9.093 8.134 0.959 19586 6785 1 10 . 1 1 118 118 ASP N N 118 120.925 120.925 120.403 0.522 19586 6786 1 10 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.271 -0.213 19586 6787 1 10 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.187 -2.944 19586 6788 1 10 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.870 -3.868 19586 6789 1 10 . 1 1 118 118 ASP H H 118 8.764 8.764 8.651 0.113 19586 6790 1 10 . 1 1 119 119 GLU N N 119 119.395 119.395 118.054 1.341 19586 6791 1 10 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.955 -0.028 19586 6792 1 10 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.278 -2.129 19586 6793 1 10 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.883 -2.951 19586 6794 1 10 . 1 1 119 119 GLU H H 119 8.509 8.509 8.682 -0.173 19586 6795 1 10 . 1 1 120 120 GLU N N 120 119.909 119.909 118.811 1.098 19586 6796 1 10 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.184 -0.288 19586 6797 1 10 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.760 -2.441 19586 6798 1 10 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.555 -3.725 19586 6799 1 10 . 1 1 120 120 GLU H H 120 7.585 7.585 7.729 -0.144 19586 6800 1 10 . 1 1 121 121 VAL N N 121 122.092 122.092 117.258 4.834 19586 6801 1 10 . 1 1 121 121 VAL HA H 121 3.442 3.442 4.020 -0.578 19586 6802 1 10 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.938 -0.848 19586 6803 1 10 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.157 -2.478 19586 6804 1 10 . 1 1 121 121 VAL H H 121 7.849 7.849 7.204 0.645 19586 6805 1 10 . 1 1 122 122 ASP N N 122 120.167 120.167 121.135 -0.968 19586 6806 1 10 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.350 -0.193 19586 6807 1 10 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.324 -3.423 19586 6808 1 10 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.894 -3.322 19586 6809 1 10 . 1 1 122 122 ASP H H 122 7.912 7.912 8.912 -1.000 19586 6810 1 10 . 1 1 123 123 GLU N N 123 119.087 119.087 118.495 0.592 19586 6811 1 10 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.156 -0.260 19586 6812 1 10 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.948 -2.336 19586 6813 1 10 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.466 -3.294 19586 6814 1 10 . 1 1 123 123 GLU H H 123 7.839 7.839 7.709 0.130 19586 6815 1 10 . 1 1 124 124 MET N N 124 118.897 118.897 118.250 0.647 19586 6816 1 10 . 1 1 124 124 MET HA H 124 3.867 3.867 4.257 -0.390 19586 6817 1 10 . 1 1 124 124 MET CA C 124 56.905 56.905 59.219 -2.314 19586 6818 1 10 . 1 1 124 124 MET CB C 124 29.250 29.250 33.199 -3.949 19586 6819 1 10 . 1 1 124 124 MET H H 124 7.433 7.433 7.406 0.027 19586 6820 1 10 . 1 1 125 125 ILE N N 125 118.001 118.001 116.062 1.939 19586 6821 1 10 . 1 1 125 125 ILE HA H 125 3.380 3.380 3.917 -0.537 19586 6822 1 10 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.161 -4.030 19586 6823 1 10 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.605 -4.365 19586 6824 1 10 . 1 1 125 125 ILE H H 125 7.658 7.658 8.614 -0.956 19586 6825 1 10 . 1 1 126 126 ARG N N 126 117.720 117.720 119.486 -1.766 19586 6826 1 10 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.085 -0.202 19586 6827 1 10 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.378 -2.705 19586 6828 1 10 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.248 -0.770 19586 6829 1 10 . 1 1 126 126 ARG H H 126 7.974 7.974 8.156 -0.182 19586 6830 1 10 . 1 1 127 127 GLU N N 127 117.050 117.050 116.733 0.317 19586 6831 1 10 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.233 -0.266 19586 6832 1 10 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.410 -1.091 19586 6833 1 10 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.770 -3.484 19586 6834 1 10 . 1 1 127 127 GLU H H 127 7.635 7.635 7.589 0.046 19586 6835 1 10 . 1 1 128 128 ALA N N 128 116.966 116.966 118.668 -1.702 19586 6836 1 10 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.398 0.102 19586 6837 1 10 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.430 -4.225 19586 6838 1 10 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.019 0.086 19586 6839 1 10 . 1 1 128 128 ALA H H 128 7.155 7.155 7.389 -0.234 19586 6840 1 10 . 1 1 129 129 ASP N N 129 118.033 118.033 119.367 -1.334 19586 6841 1 10 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.897 -0.546 19586 6842 1 10 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.079 -1.257 19586 6843 1 10 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.812 -4.126 19586 6844 1 10 . 1 1 129 129 ASP H H 129 7.806 7.806 7.684 0.122 19586 6845 1 10 . 1 1 130 130 ILE N N 130 127.927 127.927 121.931 5.996 19586 6846 1 10 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.133 -0.336 19586 6847 1 10 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.718 -2.196 19586 6848 1 10 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.066 -1.976 19586 6849 1 10 . 1 1 130 130 ILE H H 130 8.115 8.115 8.502 -0.387 19586 6850 1 10 . 1 1 131 131 ASP N N 131 116.634 116.634 119.775 -3.141 19586 6851 1 10 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.692 -0.349 19586 6852 1 10 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.570 -2.383 19586 6853 1 10 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.298 -3.830 19586 6854 1 10 . 1 1 131 131 ASP H H 131 8.202 8.202 7.860 0.342 19586 6855 1 10 . 1 1 132 132 GLY N N 132 108.586 108.586 108.563 0.023 19586 6856 1 10 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.889 -1.251 19586 6857 1 10 . 1 1 132 132 GLY H H 132 7.535 7.535 7.662 -0.127 19586 6858 1 10 . 1 1 133 133 ASP N N 133 120.377 120.377 120.149 0.228 19586 6859 1 10 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.585 -0.234 19586 6860 1 10 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.319 -3.377 19586 6861 1 10 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.288 -3.830 19586 6862 1 10 . 1 1 133 133 ASP H H 133 8.215 8.215 8.777 -0.562 19586 6863 1 10 . 1 1 134 134 GLY N N 134 112.226 112.226 107.625 4.601 19586 6864 1 10 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.351 -2.229 19586 6865 1 10 . 1 1 134 134 GLY H H 134 9.971 9.971 8.574 1.397 19586 6866 1 10 . 1 1 135 135 GLN N N 135 115.229 115.229 117.118 -1.889 19586 6867 1 10 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.851 -0.720 19586 6868 1 10 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.698 -4.244 19586 6869 1 10 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.048 -3.434 19586 6870 1 10 . 1 1 135 135 GLN H H 135 7.835 7.835 7.562 0.273 19586 6871 1 10 . 1 1 136 136 VAL N N 136 125.238 125.238 121.804 3.434 19586 6872 1 10 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.426 0.670 19586 6873 1 10 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.582 -1.869 19586 6874 1 10 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.018 -1.602 19586 6875 1 10 . 1 1 136 136 VAL H H 136 8.958 8.958 9.089 -0.131 19586 6876 1 10 . 1 1 137 137 ASN N N 137 129.058 129.058 126.088 2.970 19586 6877 1 10 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.858 0.368 19586 6878 1 10 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.140 -3.788 19586 6879 1 10 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.087 -3.447 19586 6880 1 10 . 1 1 137 137 ASN H H 137 9.435 9.435 8.574 0.861 19586 6881 1 10 . 1 1 138 138 TYR N N 138 118.627 118.627 117.594 1.033 19586 6882 1 10 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.593 -1.401 19586 6883 1 10 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.949 -1.280 19586 6884 1 10 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.889 -0.317 19586 6885 1 10 . 1 1 138 138 TYR H H 138 8.146 8.146 7.820 0.326 19586 6886 1 10 . 1 1 139 139 GLU N N 139 118.701 118.701 119.384 -0.683 19586 6887 1 10 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.005 -0.494 19586 6888 1 10 . 1 1 139 139 GLU CA C 139 57.540 57.540 58.883 -1.343 19586 6889 1 10 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.979 -2.705 19586 6890 1 10 . 1 1 139 139 GLU H H 139 7.974 7.974 7.626 0.348 19586 6891 1 10 . 1 1 140 140 GLU N N 140 119.774 119.774 119.534 0.240 19586 6892 1 10 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.119 -0.208 19586 6893 1 10 . 1 1 140 140 GLU CA C 140 56.025 56.025 59.032 -3.007 19586 6894 1 10 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.488 -3.214 19586 6895 1 10 . 1 1 140 140 GLU H H 140 8.676 8.676 7.807 0.869 19586 6896 1 10 . 1 1 141 141 PHE N N 141 124.074 124.074 120.210 3.864 19586 6897 1 10 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.007 -0.360 19586 6898 1 10 . 1 1 141 141 PHE CA C 141 59.447 59.447 61.018 -1.571 19586 6899 1 10 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.712 -1.026 19586 6900 1 10 . 1 1 141 141 PHE H H 141 8.507 8.507 7.543 0.964 19586 6901 1 10 . 1 1 142 142 VAL N N 142 119.203 119.203 115.910 3.293 19586 6902 1 10 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.209 -0.251 19586 6903 1 10 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.038 -0.606 19586 6904 1 10 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.953 -2.045 19586 6905 1 10 . 1 1 142 142 VAL H H 142 8.639 8.639 7.289 1.350 19586 6906 1 10 . 1 1 143 143 GLN N N 143 120.173 120.173 119.686 0.487 19586 6907 1 10 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.981 -0.310 19586 6908 1 10 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.711 -2.197 19586 6909 1 10 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.589 -3.343 19586 6910 1 10 . 1 1 143 143 GLN H H 143 7.818 7.818 7.479 0.339 19586 6911 1 10 . 1 1 144 144 MET N N 144 118.573 118.573 115.027 3.546 19586 6912 1 10 . 1 1 144 144 MET HA H 144 3.882 3.882 4.315 -0.433 19586 6913 1 10 . 1 1 144 144 MET CA C 144 55.683 55.683 56.796 -1.113 19586 6914 1 10 . 1 1 144 144 MET CB C 144 28.110 28.110 32.394 -4.284 19586 6915 1 10 . 1 1 144 144 MET H H 144 7.403 7.403 7.961 -0.558 19586 6916 1 10 . 1 1 145 145 MET N N 145 114.053 114.053 118.841 -4.788 19586 6917 1 10 . 1 1 145 145 MET HA H 145 3.940 3.940 4.223 -0.283 19586 6918 1 10 . 1 1 145 145 MET CA C 145 53.630 53.630 58.892 -5.262 19586 6919 1 10 . 1 1 145 145 MET CB C 145 29.592 29.592 32.948 -3.356 19586 6920 1 10 . 1 1 145 145 MET H H 145 7.534 7.534 7.497 0.037 19586 6921 1 10 . 1 1 146 146 THR N N 146 109.275 109.275 114.980 -5.705 19586 6922 1 10 . 1 1 146 146 THR HA H 146 4.175 4.175 4.128 0.047 19586 6923 1 10 . 1 1 146 146 THR CA C 146 59.251 59.251 64.448 -5.197 19586 6924 1 10 . 1 1 146 146 THR CB C 146 67.896 67.896 69.190 -1.294 19586 6925 1 10 . 1 1 146 146 THR H H 146 7.554 7.554 7.837 -0.283 19586 6926 1 10 . 1 1 147 147 ALA N N 147 126.913 126.913 122.910 4.003 19586 6927 1 10 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.569 -0.452 19586 6928 1 10 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.932 -0.625 19586 6929 1 10 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.086 -3.750 19586 6930 1 10 . 1 1 147 147 ALA H H 147 7.406 7.406 7.439 -0.033 19586 6931 1 11 . 1 1 2 2 ASP N N 2 120.378 120.378 121.416 -1.038 19586 6932 1 11 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.728 -0.143 19586 6933 1 11 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.895 -2.934 19586 6934 1 11 . 1 1 2 2 ASP H H 2 8.506 8.506 8.770 -0.264 19586 6935 1 11 . 1 1 3 3 GLN N N 3 119.707 119.707 118.253 1.454 19586 6936 1 11 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.614 -0.402 19586 6937 1 11 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.172 -2.437 19586 6938 1 11 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.673 -0.599 19586 6939 1 11 . 1 1 3 3 GLN H H 3 8.208 8.208 8.197 0.011 19586 6940 1 11 . 1 1 4 4 LEU N N 4 123.069 123.069 118.708 4.361 19586 6941 1 11 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.947 -0.807 19586 6942 1 11 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.575 -3.917 19586 6943 1 11 . 1 1 4 4 LEU CB C 4 39.624 39.624 41.903 -2.279 19586 6944 1 11 . 1 1 4 4 LEU H H 4 8.181 8.181 8.601 -0.420 19586 6945 1 11 . 1 1 5 5 THR N N 5 112.909 112.909 114.815 -1.906 19586 6946 1 11 . 1 1 5 5 THR HA H 5 4.322 4.322 4.340 -0.018 19586 6947 1 11 . 1 1 5 5 THR CA C 5 57.687 57.687 64.197 -6.510 19586 6948 1 11 . 1 1 5 5 THR CB C 5 68.580 68.580 68.667 -0.087 19586 6949 1 11 . 1 1 5 5 THR H H 5 8.607 8.607 7.808 0.799 19586 6950 1 11 . 1 1 6 6 GLU N N 6 120.224 120.224 121.592 -1.368 19586 6951 1 11 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.095 -0.270 19586 6952 1 11 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.497 -2.250 19586 6953 1 11 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.439 -0.304 19586 6954 1 11 . 1 1 6 6 GLU H H 6 8.877 8.877 8.404 0.473 19586 6955 1 11 . 1 1 7 7 GLU N N 7 119.350 119.350 115.409 3.941 19586 6956 1 11 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.171 -0.254 19586 6957 1 11 . 1 1 7 7 GLU CA C 7 57.198 57.198 57.740 -0.542 19586 6958 1 11 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.151 -2.877 19586 6959 1 11 . 1 1 7 7 GLU H H 7 8.524 8.524 8.613 -0.089 19586 6960 1 11 . 1 1 8 8 GLN N N 8 119.917 119.917 118.128 1.789 19586 6961 1 11 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.167 -0.264 19586 6962 1 11 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.249 -2.273 19586 6963 1 11 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.677 -3.277 19586 6964 1 11 . 1 1 8 8 GLN H H 8 7.603 7.603 7.618 -0.015 19586 6965 1 11 . 1 1 9 9 ILE N N 9 119.503 119.503 110.405 9.098 19586 6966 1 11 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.580 -0.941 19586 6967 1 11 . 1 1 9 9 ILE CA C 9 63.796 63.796 60.398 3.398 19586 6968 1 11 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.129 -2.951 19586 6969 1 11 . 1 1 9 9 ILE H H 9 8.260 8.260 7.511 0.749 19586 6970 1 11 . 1 1 10 10 ALA N N 10 121.044 121.044 125.649 -4.605 19586 6971 1 11 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.294 -0.333 19586 6972 1 11 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.422 -1.720 19586 6973 1 11 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.869 -3.755 19586 6974 1 11 . 1 1 10 10 ALA H H 10 7.840 7.840 7.897 -0.057 19586 6975 1 11 . 1 1 11 11 GLU N N 11 119.113 119.113 118.658 0.455 19586 6976 1 11 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.422 -0.514 19586 6977 1 11 . 1 1 11 11 GLU CA C 11 56.563 56.563 58.150 -1.587 19586 6978 1 11 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.878 -3.478 19586 6979 1 11 . 1 1 11 11 GLU H H 11 7.635 7.635 8.286 -0.651 19586 6980 1 11 . 1 1 12 12 PHE N N 12 119.574 119.574 120.234 -0.660 19586 6981 1 11 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.369 0.417 19586 6982 1 11 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.950 -4.996 19586 6983 1 11 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.483 -4.419 19586 6984 1 11 . 1 1 12 12 PHE H H 12 8.441 8.441 8.455 -0.014 19586 6985 1 11 . 1 1 13 13 LYS N N 13 123.454 123.454 119.600 3.854 19586 6986 1 11 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.408 -0.505 19586 6987 1 11 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.228 -0.932 19586 6988 1 11 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.047 -2.455 19586 6989 1 11 . 1 1 13 13 LYS H H 13 9.103 9.103 8.123 0.980 19586 6990 1 11 . 1 1 14 14 GLU N N 14 119.525 119.525 117.708 1.817 19586 6991 1 11 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.348 -0.437 19586 6992 1 11 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.790 -1.325 19586 6993 1 11 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.049 -3.547 19586 6994 1 11 . 1 1 14 14 GLU H H 14 7.667 7.667 8.171 -0.504 19586 6995 1 11 . 1 1 15 15 ALA N N 15 121.983 121.983 122.500 -0.517 19586 6996 1 11 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.207 -0.246 19586 6997 1 11 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.736 -1.985 19586 6998 1 11 . 1 1 15 15 ALA CB C 15 15.228 15.228 19.009 -3.781 19586 6999 1 11 . 1 1 15 15 ALA H H 15 7.816 7.816 7.766 0.050 19586 7000 1 11 . 1 1 16 16 PHE N N 16 118.874 118.874 119.162 -0.288 19586 7001 1 11 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.142 -1.047 19586 7002 1 11 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.769 -1.224 19586 7003 1 11 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.193 -2.419 19586 7004 1 11 . 1 1 16 16 PHE H H 16 8.764 8.764 8.653 0.111 19586 7005 1 11 . 1 1 17 17 SER N N 17 111.578 111.578 112.806 -1.228 19586 7006 1 11 . 1 1 17 17 SER HA H 17 3.979 3.979 4.243 -0.264 19586 7007 1 11 . 1 1 17 17 SER CA C 17 58.567 58.567 60.041 -1.474 19586 7008 1 11 . 1 1 17 17 SER CB C 17 60.600 60.600 62.790 -2.190 19586 7009 1 11 . 1 1 17 17 SER H H 17 7.825 7.825 8.699 -0.874 19586 7010 1 11 . 1 1 18 18 LEU N N 18 121.167 121.167 120.024 1.143 19586 7011 1 11 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.009 -0.062 19586 7012 1 11 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.131 -2.523 19586 7013 1 11 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.138 -2.500 19586 7014 1 11 . 1 1 18 18 LEU H H 18 7.240 7.240 7.479 -0.239 19586 7015 1 11 . 1 1 19 19 PHE N N 19 114.405 114.405 113.476 0.929 19586 7016 1 11 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.368 -0.457 19586 7017 1 11 . 1 1 19 19 PHE CA C 19 57.247 57.247 58.626 -1.379 19586 7018 1 11 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.624 -5.814 19586 7019 1 11 . 1 1 19 19 PHE H H 19 7.090 7.090 7.361 -0.271 19586 7020 1 11 . 1 1 20 20 ASP N N 20 115.823 115.823 120.425 -4.602 19586 7021 1 11 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.331 0.145 19586 7022 1 11 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.418 -4.942 19586 7023 1 11 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.627 -2.845 19586 7024 1 11 . 1 1 20 20 ASP H H 20 7.662 7.662 7.949 -0.287 19586 7025 1 11 . 1 1 21 21 LYS N N 21 124.906 124.906 123.339 1.567 19586 7026 1 11 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.136 -0.350 19586 7027 1 11 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.951 -1.926 19586 7028 1 11 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.447 -2.747 19586 7029 1 11 . 1 1 21 21 LYS H H 21 7.539 7.539 8.009 -0.470 19586 7030 1 11 . 1 1 22 22 ASP N N 22 113.550 113.550 117.931 -4.381 19586 7031 1 11 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.606 -0.175 19586 7032 1 11 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.811 -4.846 19586 7033 1 11 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.869 -5.095 19586 7034 1 11 . 1 1 22 22 ASP H H 22 7.965 7.965 7.590 0.375 19586 7035 1 11 . 1 1 23 23 GLY N N 23 109.354 109.354 107.066 2.288 19586 7036 1 11 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.221 -1.779 19586 7037 1 11 . 1 1 23 23 GLY H H 23 7.606 7.606 8.511 -0.905 19586 7038 1 11 . 1 1 24 24 ASP N N 24 120.643 120.643 121.214 -0.571 19586 7039 1 11 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.772 -0.417 19586 7040 1 11 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.654 -2.614 19586 7041 1 11 . 1 1 24 24 ASP CB C 24 37.686 37.686 40.928 -3.242 19586 7042 1 11 . 1 1 24 24 ASP H H 24 8.266 8.266 8.339 -0.073 19586 7043 1 11 . 1 1 25 25 GLY N N 25 113.205 113.205 107.389 5.816 19586 7044 1 11 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.171 -2.488 19586 7045 1 11 . 1 1 25 25 GLY H H 25 10.545 10.545 8.081 2.464 19586 7046 1 11 . 1 1 26 26 THR N N 26 112.852 112.852 110.137 2.715 19586 7047 1 11 . 1 1 26 26 THR HA H 26 5.170 5.170 5.296 -0.126 19586 7048 1 11 . 1 1 26 26 THR CA C 26 56.954 56.954 59.446 -2.492 19586 7049 1 11 . 1 1 26 26 THR CB C 26 69.948 69.948 72.061 -2.113 19586 7050 1 11 . 1 1 26 26 THR H H 26 8.020 8.020 7.874 0.146 19586 7051 1 11 . 1 1 27 27 ILE N N 27 127.005 127.005 118.668 8.337 19586 7052 1 11 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.433 -0.606 19586 7053 1 11 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.397 -1.466 19586 7054 1 11 . 1 1 27 27 ILE CB C 27 37.230 37.230 39.444 -2.214 19586 7055 1 11 . 1 1 27 27 ILE H H 27 9.689 9.689 8.020 1.669 19586 7056 1 11 . 1 1 28 28 THR N N 28 116.439 116.439 120.761 -4.322 19586 7057 1 11 . 1 1 28 28 THR HA H 28 4.642 4.642 4.339 0.303 19586 7058 1 11 . 1 1 28 28 THR CA C 28 56.612 56.612 63.023 -6.411 19586 7059 1 11 . 1 1 28 28 THR CB C 28 69.606 69.606 69.000 0.606 19586 7060 1 11 . 1 1 28 28 THR H H 28 8.275 8.275 8.756 -0.481 19586 7061 1 11 . 1 1 29 29 THR N N 29 113.287 113.287 122.496 -9.209 19586 7062 1 11 . 1 1 29 29 THR HA H 29 3.635 3.635 4.146 -0.511 19586 7063 1 11 . 1 1 29 29 THR CA C 29 63.845 63.845 64.371 -0.526 19586 7064 1 11 . 1 1 29 29 THR CB C 29 65.616 65.616 68.624 -3.008 19586 7065 1 11 . 1 1 29 29 THR H H 29 9.054 9.054 8.607 0.447 19586 7066 1 11 . 1 1 30 30 LYS N N 30 121.230 121.230 120.289 0.941 19586 7067 1 11 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.221 -0.318 19586 7068 1 11 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.271 -1.806 19586 7069 1 11 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.579 -2.879 19586 7070 1 11 . 1 1 30 30 LYS H H 30 7.578 7.578 7.830 -0.252 19586 7071 1 11 . 1 1 31 31 GLU N N 31 122.002 122.002 118.571 3.431 19586 7072 1 11 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.281 -0.418 19586 7073 1 11 . 1 1 31 31 GLU CA C 31 57.149 57.149 56.843 0.306 19586 7074 1 11 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.676 -2.618 19586 7075 1 11 . 1 1 31 31 GLU H H 31 7.712 7.712 8.524 -0.812 19586 7076 1 11 . 1 1 32 32 LEU N N 32 119.130 119.130 119.655 -0.525 19586 7077 1 11 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.243 -0.318 19586 7078 1 11 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.696 -1.167 19586 7079 1 11 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.259 -1.278 19586 7080 1 11 . 1 1 32 32 LEU H H 32 8.509 8.509 8.021 0.488 19586 7081 1 11 . 1 1 33 33 GLY N N 33 103.747 103.747 105.572 -1.825 19586 7082 1 11 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.924 -0.260 19586 7083 1 11 . 1 1 33 33 GLY H H 33 8.388 8.388 7.764 0.624 19586 7084 1 11 . 1 1 34 34 THR N N 34 117.487 117.487 116.708 0.779 19586 7085 1 11 . 1 1 34 34 THR HA H 34 3.795 3.795 4.584 -0.789 19586 7086 1 11 . 1 1 34 34 THR CA C 34 64.285 64.285 63.573 0.712 19586 7087 1 11 . 1 1 34 34 THR CB C 34 66.186 66.186 68.599 -2.413 19586 7088 1 11 . 1 1 34 34 THR H H 34 7.935 7.935 7.580 0.355 19586 7089 1 11 . 1 1 35 35 VAL N N 35 120.287 120.287 119.178 1.109 19586 7090 1 11 . 1 1 35 35 VAL H H 35 7.089 7.089 7.178 -0.089 19586 7091 1 11 . 1 1 36 36 MET N N 36 117.816 117.816 117.210 0.606 19586 7092 1 11 . 1 1 36 36 MET HA H 36 3.911 3.911 4.355 -0.444 19586 7093 1 11 . 1 1 36 36 MET CA C 36 57.101 57.101 58.285 -1.184 19586 7094 1 11 . 1 1 36 36 MET CB C 36 29.929 29.929 32.986 -3.057 19586 7095 1 11 . 1 1 36 36 MET H H 36 8.318 8.318 7.755 0.563 19586 7096 1 11 . 1 1 37 37 ARG N N 37 117.706 117.706 119.803 -2.097 19586 7097 1 11 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.278 0.420 19586 7098 1 11 . 1 1 37 37 ARG CA C 37 56.172 56.172 56.569 -0.397 19586 7099 1 11 . 1 1 37 37 ARG CB C 37 27.084 27.084 28.247 -1.163 19586 7100 1 11 . 1 1 37 37 ARG H H 37 8.233 8.233 7.991 0.242 19586 7101 1 11 . 1 1 38 38 SER N N 38 118.974 118.974 115.470 3.504 19586 7102 1 11 . 1 1 38 38 SER HA H 38 4.187 4.187 4.592 -0.405 19586 7103 1 11 . 1 1 38 38 SER CA C 38 59.251 59.251 59.808 -0.557 19586 7104 1 11 . 1 1 38 38 SER CB C 38 67.782 67.782 65.493 2.289 19586 7105 1 11 . 1 1 38 38 SER H H 38 7.874 7.874 8.689 -0.815 19586 7106 1 11 . 1 1 39 39 LEU N N 39 118.835 118.835 121.982 -3.147 19586 7107 1 11 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.667 -0.528 19586 7108 1 11 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.054 -3.721 19586 7109 1 11 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.279 -2.641 19586 7110 1 11 . 1 1 39 39 LEU H H 39 7.248 7.248 7.755 -0.507 19586 7111 1 11 . 1 1 40 40 GLY N N 40 104.990 104.990 105.913 -0.923 19586 7112 1 11 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.611 -2.733 19586 7113 1 11 . 1 1 40 40 GLY H H 40 7.471 7.471 7.925 -0.454 19586 7114 1 11 . 1 1 41 41 GLN N N 41 118.032 118.032 119.065 -1.033 19586 7115 1 11 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.600 -0.230 19586 7116 1 11 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.194 -3.007 19586 7117 1 11 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.344 -0.726 19586 7118 1 11 . 1 1 41 41 GLN H H 41 7.860 7.860 7.637 0.223 19586 7119 1 11 . 1 1 42 42 ASN N N 42 115.671 115.671 117.354 -1.683 19586 7120 1 11 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.115 -0.021 19586 7121 1 11 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.883 -2.189 19586 7122 1 11 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.376 -3.822 19586 7123 1 11 . 1 1 42 42 ASN H H 42 8.561 8.561 8.521 0.040 19586 7124 1 11 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.623 0.088 19586 7125 1 11 . 1 1 44 44 THR N N 44 113.509 113.509 121.231 -7.722 19586 7126 1 11 . 1 1 44 44 THR HA H 44 4.321 4.321 4.353 -0.032 19586 7127 1 11 . 1 1 44 44 THR CA C 44 57.638 57.638 61.640 -4.002 19586 7128 1 11 . 1 1 44 44 THR CB C 44 68.466 68.466 67.485 0.981 19586 7129 1 11 . 1 1 44 44 THR H H 44 8.882 8.882 8.261 0.621 19586 7130 1 11 . 1 1 45 45 GLU N N 45 120.506 120.506 127.325 -6.819 19586 7131 1 11 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.955 -0.075 19586 7132 1 11 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.717 -2.616 19586 7133 1 11 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.792 -3.518 19586 7134 1 11 . 1 1 45 45 GLU H H 45 8.662 8.662 7.952 0.710 19586 7135 1 11 . 1 1 46 46 ALA N N 46 120.586 120.586 119.330 1.256 19586 7136 1 11 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.211 -0.286 19586 7137 1 11 . 1 1 46 46 ALA CA C 46 52.311 52.311 53.923 -1.612 19586 7138 1 11 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.334 -3.254 19586 7139 1 11 . 1 1 46 46 ALA H H 46 8.139 8.139 8.417 -0.278 19586 7140 1 11 . 1 1 47 47 GLU N N 47 118.171 118.171 119.201 -1.030 19586 7141 1 11 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.164 -0.288 19586 7142 1 11 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.949 -2.679 19586 7143 1 11 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.478 -3.192 19586 7144 1 11 . 1 1 47 47 GLU H H 47 7.597 7.597 7.675 -0.078 19586 7145 1 11 . 1 1 48 48 LEU N N 48 120.228 120.228 116.276 3.952 19586 7146 1 11 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.124 -0.197 19586 7147 1 11 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.690 -2.642 19586 7148 1 11 . 1 1 48 48 LEU CB C 48 39.981 39.981 39.842 0.139 19586 7149 1 11 . 1 1 48 48 LEU H H 48 7.848 7.848 7.540 0.308 19586 7150 1 11 . 1 1 49 49 GLN N N 49 117.910 117.910 118.253 -0.343 19586 7151 1 11 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.092 -0.191 19586 7152 1 11 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.987 -3.255 19586 7153 1 11 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.494 -0.612 19586 7154 1 11 . 1 1 49 49 GLN H H 49 8.037 8.037 8.022 0.015 19586 7155 1 11 . 1 1 50 50 ASP N N 50 119.284 119.284 119.138 0.146 19586 7156 1 11 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.489 -0.332 19586 7157 1 11 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.355 -1.649 19586 7158 1 11 . 1 1 50 50 ASP CB C 50 37.572 37.572 41.059 -3.487 19586 7159 1 11 . 1 1 50 50 ASP H H 50 8.010 8.010 7.658 0.352 19586 7160 1 11 . 1 1 51 51 MET N N 51 119.245 119.245 117.883 1.362 19586 7161 1 11 . 1 1 51 51 MET HA H 51 3.923 3.923 4.463 -0.540 19586 7162 1 11 . 1 1 51 51 MET CA C 51 56.563 56.563 58.092 -1.528 19586 7163 1 11 . 1 1 51 51 MET CB C 51 29.478 29.478 34.099 -4.621 19586 7164 1 11 . 1 1 51 51 MET H H 51 7.614 7.614 7.549 0.065 19586 7165 1 11 . 1 1 52 52 ILE N N 52 117.584 117.584 120.472 -2.888 19586 7166 1 11 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.685 -0.357 19586 7167 1 11 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.342 -3.452 19586 7168 1 11 . 1 1 52 52 ILE CB C 52 34.494 34.494 38.002 -3.508 19586 7169 1 11 . 1 1 52 52 ILE H H 52 7.514 7.514 8.855 -1.341 19586 7170 1 11 . 1 1 53 53 ASN N N 53 117.126 117.126 117.761 -0.635 19586 7171 1 11 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.616 -0.394 19586 7172 1 11 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.338 -3.245 19586 7173 1 11 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.670 -3.378 19586 7174 1 11 . 1 1 53 53 ASN H H 53 8.418 8.418 7.783 0.635 19586 7175 1 11 . 1 1 54 54 GLU N N 54 116.380 116.380 115.520 0.860 19586 7176 1 11 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.259 -0.356 19586 7177 1 11 . 1 1 54 54 GLU CA C 54 56.123 56.123 57.793 -1.670 19586 7178 1 11 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.314 -3.914 19586 7179 1 11 . 1 1 54 54 GLU H H 54 7.466 7.466 8.454 -0.988 19586 7180 1 11 . 1 1 55 55 VAL N N 55 108.622 108.622 112.100 -3.478 19586 7181 1 11 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.280 0.034 19586 7182 1 11 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.682 -3.506 19586 7183 1 11 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.335 -2.173 19586 7184 1 11 . 1 1 55 55 VAL H H 55 7.044 7.044 7.568 -0.524 19586 7185 1 11 . 1 1 56 56 ASP N N 56 121.430 121.430 122.292 -0.862 19586 7186 1 11 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.607 -0.217 19586 7187 1 11 . 1 1 56 56 ASP CA C 56 50.991 50.991 53.515 -2.524 19586 7188 1 11 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.472 -1.576 19586 7189 1 11 . 1 1 56 56 ASP H H 56 7.561 7.561 8.313 -0.752 19586 7190 1 11 . 1 1 57 57 ALA N N 57 131.840 131.840 124.257 7.583 19586 7191 1 11 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.151 -0.098 19586 7192 1 11 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.474 -2.994 19586 7193 1 11 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.222 -2.429 19586 7194 1 11 . 1 1 57 57 ALA H H 57 8.357 8.357 8.050 0.307 19586 7195 1 11 . 1 1 58 58 ASP N N 58 113.565 113.565 117.173 -3.608 19586 7196 1 11 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.717 -0.227 19586 7197 1 11 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.927 -3.011 19586 7198 1 11 . 1 1 58 58 ASP CB C 58 36.774 36.774 40.989 -4.215 19586 7199 1 11 . 1 1 58 58 ASP H H 58 7.985 7.985 8.220 -0.235 19586 7200 1 11 . 1 1 59 59 GLY N N 59 108.187 108.187 108.993 -0.806 19586 7201 1 11 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.259 -1.768 19586 7202 1 11 . 1 1 59 59 GLY H H 59 7.424 7.424 7.473 -0.049 19586 7203 1 11 . 1 1 60 60 ASN N N 60 118.065 118.065 122.295 -4.230 19586 7204 1 11 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.730 -0.284 19586 7205 1 11 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.278 -3.509 19586 7206 1 11 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.116 -2.562 19586 7207 1 11 . 1 1 60 60 ASN H H 60 7.919 7.919 8.536 -0.617 19586 7208 1 11 . 1 1 61 61 GLY N N 61 113.247 113.247 109.032 4.215 19586 7209 1 11 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.653 -3.775 19586 7210 1 11 . 1 1 61 61 GLY H H 61 10.485 10.485 8.698 1.787 19586 7211 1 11 . 1 1 62 62 THR N N 62 108.699 108.699 111.363 -2.664 19586 7212 1 11 . 1 1 62 62 THR HA H 62 4.580 4.580 4.685 -0.105 19586 7213 1 11 . 1 1 62 62 THR CA C 62 56.661 56.661 60.121 -3.460 19586 7214 1 11 . 1 1 62 62 THR H H 62 7.511 7.511 7.720 -0.209 19586 7215 1 11 . 1 1 63 63 ILE N N 63 122.834 122.834 119.810 3.024 19586 7216 1 11 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.440 0.614 19586 7217 1 11 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.267 -2.166 19586 7218 1 11 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.697 -4.353 19586 7219 1 11 . 1 1 63 63 ILE H H 63 8.741 8.741 8.080 0.661 19586 7220 1 11 . 1 1 64 64 ASP N N 64 127.818 127.818 121.013 6.805 19586 7221 1 11 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.262 -0.024 19586 7222 1 11 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.227 -2.849 19586 7223 1 11 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.618 -6.836 19586 7224 1 11 . 1 1 64 64 ASP H H 64 8.702 8.702 8.526 0.176 19586 7225 1 11 . 1 1 65 65 PHE N N 65 118.653 118.653 118.797 -0.144 19586 7226 1 11 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.478 -0.617 19586 7227 1 11 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.094 -2.377 19586 7228 1 11 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.558 -4.432 19586 7229 1 11 . 1 1 65 65 PHE H H 65 8.847 8.847 8.856 -0.009 19586 7230 1 11 . 1 1 67 67 GLU N N 67 117.631 117.631 116.183 1.448 19586 7231 1 11 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.189 -0.286 19586 7232 1 11 . 1 1 67 67 GLU CA C 67 56.337 56.337 57.505 -1.169 19586 7233 1 11 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.367 -2.322 19586 7234 1 11 . 1 1 67 67 GLU H H 67 7.940 7.940 8.789 -0.849 19586 7235 1 11 . 1 1 68 68 PHE N N 68 123.289 123.289 119.904 3.385 19586 7236 1 11 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.368 -0.528 19586 7237 1 11 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.525 -1.798 19586 7238 1 11 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.551 -1.979 19586 7239 1 11 . 1 1 68 68 PHE H H 68 8.757 8.757 7.587 1.170 19586 7240 1 11 . 1 1 69 69 LEU N N 69 118.867 118.867 117.445 1.422 19586 7241 1 11 . 1 1 69 69 LEU HA H 69 3.245 3.245 3.996 -0.751 19586 7242 1 11 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.515 -1.357 19586 7243 1 11 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.434 -3.178 19586 7244 1 11 . 1 1 69 69 LEU H H 69 8.403 8.403 8.015 0.388 19586 7245 1 11 . 1 1 70 70 THR N N 70 116.302 116.302 113.120 3.182 19586 7246 1 11 . 1 1 70 70 THR HA H 70 3.624 3.624 4.046 -0.422 19586 7247 1 11 . 1 1 70 70 THR CA C 70 63.843 63.843 65.487 -1.645 19586 7248 1 11 . 1 1 70 70 THR CB C 70 65.502 65.502 68.599 -3.097 19586 7249 1 11 . 1 1 70 70 THR H H 70 7.540 7.540 7.585 -0.045 19586 7250 1 11 . 1 1 71 71 MET N N 71 121.710 121.710 119.805 1.905 19586 7251 1 11 . 1 1 71 71 MET HA H 71 3.903 3.903 4.400 -0.497 19586 7252 1 11 . 1 1 71 71 MET CA C 71 56.303 56.303 57.797 -1.494 19586 7253 1 11 . 1 1 71 71 MET CB C 71 29.706 29.706 31.576 -1.870 19586 7254 1 11 . 1 1 71 71 MET H H 71 7.723 7.723 7.350 0.373 19586 7255 1 11 . 1 1 72 72 MET N N 72 116.535 116.535 118.981 -2.446 19586 7256 1 11 . 1 1 72 72 MET HA H 72 3.773 3.773 4.272 -0.499 19586 7257 1 11 . 1 1 72 72 MET CA C 72 53.307 53.307 56.994 -3.687 19586 7258 1 11 . 1 1 72 72 MET CB C 72 28.787 28.787 32.579 -3.792 19586 7259 1 11 . 1 1 72 72 MET H H 72 7.982 7.982 7.901 0.081 19586 7260 1 11 . 1 1 73 73 ALA N N 73 121.584 121.584 122.582 -0.998 19586 7261 1 11 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.026 -0.146 19586 7262 1 11 . 1 1 73 73 ALA CA C 73 52.095 52.095 55.035 -2.940 19586 7263 1 11 . 1 1 73 73 ALA CB C 73 15.342 15.342 17.809 -2.467 19586 7264 1 11 . 1 1 73 73 ALA H H 73 8.074 8.074 7.763 0.311 19586 7265 1 11 . 1 1 74 74 ARG N N 74 115.784 115.784 118.954 -3.170 19586 7266 1 11 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.096 -0.193 19586 7267 1 11 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.705 -2.974 19586 7268 1 11 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.198 -2.211 19586 7269 1 11 . 1 1 74 74 ARG H H 74 7.358 7.358 7.779 -0.421 19586 7270 1 11 . 1 1 75 75 LYS N N 75 117.245 117.245 116.971 0.274 19586 7271 1 11 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.234 -0.285 19586 7272 1 11 . 1 1 75 75 LYS CA C 75 53.947 53.947 56.974 -3.027 19586 7273 1 11 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.276 -5.876 19586 7274 1 11 . 1 1 75 75 LYS H H 75 7.640 7.640 7.706 -0.066 19586 7275 1 11 . 1 1 76 76 MET N N 76 117.971 117.971 118.842 -0.871 19586 7276 1 11 . 1 1 76 76 MET HA H 76 4.242 4.242 4.367 -0.125 19586 7277 1 11 . 1 1 76 76 MET CA C 76 53.947 53.947 55.495 -1.548 19586 7278 1 11 . 1 1 76 76 MET CB C 76 29.478 29.478 32.454 -2.976 19586 7279 1 11 . 1 1 76 76 MET H H 76 7.794 7.794 7.502 0.292 19586 7280 1 11 . 1 1 77 77 LYS N N 77 119.902 119.902 121.257 -1.355 19586 7281 1 11 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.270 -0.118 19586 7282 1 11 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.195 -1.912 19586 7283 1 11 . 1 1 77 77 LYS CB C 77 29.478 29.478 31.468 -1.990 19586 7284 1 11 . 1 1 77 77 LYS H H 77 7.622 7.622 7.768 -0.146 19586 7285 1 11 . 1 1 78 78 ASP N N 78 119.146 119.146 121.610 -2.464 19586 7286 1 11 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.338 -0.095 19586 7287 1 11 . 1 1 78 78 ASP CA C 78 52.061 52.061 55.054 -2.993 19586 7288 1 11 . 1 1 78 78 ASP H H 78 7.991 7.991 8.616 -0.625 19586 7289 1 11 . 1 1 79 79 THR N N 79 112.750 112.750 111.786 0.964 19586 7290 1 11 . 1 1 79 79 THR HA H 79 4.170 4.170 4.352 -0.182 19586 7291 1 11 . 1 1 79 79 THR CA C 79 59.030 59.030 62.510 -3.479 19586 7292 1 11 . 1 1 79 79 THR CB C 79 67.668 67.668 69.706 -2.038 19586 7293 1 11 . 1 1 79 79 THR H H 79 7.587 7.587 7.789 -0.202 19586 7294 1 11 . 1 1 80 80 ASP N N 80 122.888 122.888 125.864 -2.976 19586 7295 1 11 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.804 -0.433 19586 7296 1 11 . 1 1 80 80 ASP CA C 80 50.850 50.850 53.721 -2.872 19586 7297 1 11 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.259 -4.906 19586 7298 1 11 . 1 1 80 80 ASP H H 80 8.354 8.354 8.322 0.032 19586 7299 1 11 . 1 1 81 81 SER N N 81 117.571 117.571 114.761 2.810 19586 7300 1 11 . 1 1 81 81 SER HA H 81 4.115 4.115 4.295 -0.180 19586 7301 1 11 . 1 1 81 81 SER CA C 81 57.717 57.717 61.348 -3.631 19586 7302 1 11 . 1 1 81 81 SER CB C 81 60.884 60.884 63.777 -2.893 19586 7303 1 11 . 1 1 81 81 SER H H 81 8.232 8.232 8.586 -0.354 19586 7304 1 11 . 1 1 82 82 GLU N N 82 121.860 121.860 121.597 0.263 19586 7305 1 11 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.089 -0.206 19586 7306 1 11 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.598 -2.891 19586 7307 1 11 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.242 0.350 19586 7308 1 11 . 1 1 82 82 GLU H H 82 8.364 8.364 8.765 -0.401 19586 7309 1 11 . 1 1 83 83 GLU N N 83 119.398 119.398 117.595 1.803 19586 7310 1 11 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.126 -0.243 19586 7311 1 11 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.310 -2.704 19586 7312 1 11 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.334 0.030 19586 7313 1 11 . 1 1 83 83 GLU H H 83 8.032 8.032 8.881 -0.849 19586 7314 1 11 . 1 1 84 84 GLU N N 84 118.279 118.279 119.008 -0.729 19586 7315 1 11 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.351 -0.480 19586 7316 1 11 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.268 -1.662 19586 7317 1 11 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.645 -3.828 19586 7318 1 11 . 1 1 84 84 GLU H H 84 8.153 8.153 7.650 0.503 19586 7319 1 11 . 1 1 85 85 ILE N N 85 120.970 120.970 120.230 0.740 19586 7320 1 11 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.928 -0.316 19586 7321 1 11 . 1 1 85 85 ILE CA C 85 63.439 63.439 63.848 -0.409 19586 7322 1 11 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.386 -3.778 19586 7323 1 11 . 1 1 85 85 ILE H H 85 7.927 7.927 7.945 -0.018 19586 7324 1 11 . 1 1 86 86 ARG N N 86 121.766 121.766 118.996 2.770 19586 7325 1 11 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.180 -0.172 19586 7326 1 11 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.434 -1.919 19586 7327 1 11 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.169 -3.313 19586 7328 1 11 . 1 1 86 86 ARG H H 86 8.233 8.233 8.512 -0.279 19586 7329 1 11 . 1 1 87 87 GLU N N 87 118.369 118.369 116.932 1.437 19586 7330 1 11 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.254 -0.352 19586 7331 1 11 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.492 -0.886 19586 7332 1 11 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.402 -3.585 19586 7333 1 11 . 1 1 87 87 GLU H H 87 8.156 8.156 7.760 0.396 19586 7334 1 11 . 1 1 88 88 ALA N N 88 120.337 120.337 120.020 0.317 19586 7335 1 11 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.748 -0.799 19586 7336 1 11 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.595 -0.332 19586 7337 1 11 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.278 -5.198 19586 7338 1 11 . 1 1 88 88 ALA H H 88 7.877 7.877 7.622 0.255 19586 7339 1 11 . 1 1 89 89 PHE N N 89 118.191 118.191 120.375 -2.184 19586 7340 1 11 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.586 -1.471 19586 7341 1 11 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.228 -1.525 19586 7342 1 11 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.930 -3.156 19586 7343 1 11 . 1 1 89 89 PHE H H 89 8.459 8.459 7.750 0.709 19586 7344 1 11 . 1 1 90 90 ARG N N 90 115.953 115.953 118.054 -2.101 19586 7345 1 11 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.678 -0.773 19586 7346 1 11 . 1 1 90 90 ARG CA C 90 56.168 56.168 59.163 -2.995 19586 7347 1 11 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.253 -2.599 19586 7348 1 11 . 1 1 90 90 ARG H H 90 7.764 7.764 8.126 -0.362 19586 7349 1 11 . 1 1 91 91 VAL N N 91 118.202 118.202 118.119 0.083 19586 7350 1 11 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.912 -0.627 19586 7351 1 11 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.736 -1.379 19586 7352 1 11 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.635 -3.191 19586 7353 1 11 . 1 1 91 91 VAL H H 91 7.229 7.229 7.902 -0.673 19586 7354 1 11 . 1 1 92 92 PHE N N 92 112.447 112.447 119.049 -6.602 19586 7355 1 11 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.309 -0.364 19586 7356 1 11 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.678 -1.649 19586 7357 1 11 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.595 -1.757 19586 7358 1 11 . 1 1 92 92 PHE H H 92 6.699 6.699 7.430 -0.731 19586 7359 1 11 . 1 1 93 93 ASP N N 93 116.461 116.461 117.806 -1.345 19586 7360 1 11 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.683 -0.207 19586 7361 1 11 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.391 -3.866 19586 7362 1 11 . 1 1 93 93 ASP CB C 93 35.183 35.183 41.157 -5.974 19586 7363 1 11 . 1 1 93 93 ASP H H 93 7.881 7.881 8.345 -0.464 19586 7364 1 11 . 1 1 94 94 LYS N N 94 125.494 125.494 123.090 2.404 19586 7365 1 11 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.023 -0.355 19586 7366 1 11 . 1 1 94 94 LYS CA C 94 55.976 55.976 59.366 -3.390 19586 7367 1 11 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.585 -1.171 19586 7368 1 11 . 1 1 94 94 LYS H H 94 7.596 7.596 8.568 -0.972 19586 7369 1 11 . 1 1 95 95 ASP N N 95 114.015 114.015 118.360 -4.345 19586 7370 1 11 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.604 -0.189 19586 7371 1 11 . 1 1 95 95 ASP CA C 95 50.307 50.307 55.410 -5.103 19586 7372 1 11 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.929 -5.155 19586 7373 1 11 . 1 1 95 95 ASP H H 95 8.097 8.097 7.956 0.141 19586 7374 1 11 . 1 1 96 96 GLY N N 96 109.147 109.147 107.222 1.925 19586 7375 1 11 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.291 -0.947 19586 7376 1 11 . 1 1 96 96 GLY H H 96 7.677 7.677 8.488 -0.811 19586 7377 1 11 . 1 1 97 97 ASN N N 97 119.575 119.575 118.837 0.738 19586 7378 1 11 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.943 -0.443 19586 7379 1 11 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.605 -2.689 19586 7380 1 11 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.114 -3.931 19586 7381 1 11 . 1 1 97 97 ASN H H 97 8.252 8.252 8.334 -0.082 19586 7382 1 11 . 1 1 98 98 GLY N N 98 112.465 112.465 106.584 5.881 19586 7383 1 11 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.811 -3.519 19586 7384 1 11 . 1 1 98 98 GLY H H 98 10.462 10.462 8.330 2.132 19586 7385 1 11 . 1 1 99 99 TYR N N 99 116.256 116.256 119.394 -3.138 19586 7386 1 11 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.999 -0.117 19586 7387 1 11 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.930 -3.348 19586 7388 1 11 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.282 -1.301 19586 7389 1 11 . 1 1 99 99 TYR H H 99 7.557 7.557 7.827 -0.270 19586 7390 1 11 . 1 1 100 100 ILE N N 100 126.957 126.957 121.694 5.263 19586 7391 1 11 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.336 0.121 19586 7392 1 11 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.910 -2.294 19586 7393 1 11 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.039 -3.607 19586 7394 1 11 . 1 1 100 100 ILE H H 100 9.972 9.972 9.012 0.960 19586 7395 1 11 . 1 1 101 101 SER N N 101 123.739 123.739 122.856 0.883 19586 7396 1 11 . 1 1 101 101 SER HA H 101 4.711 4.711 4.415 0.296 19586 7397 1 11 . 1 1 101 101 SER CA C 101 52.897 52.897 58.592 -5.695 19586 7398 1 11 . 1 1 101 101 SER CB C 101 64.134 64.134 64.521 -0.387 19586 7399 1 11 . 1 1 101 101 SER H H 101 8.844 8.844 8.598 0.246 19586 7400 1 11 . 1 1 102 102 ALA N N 102 123.028 123.028 126.058 -3.030 19586 7401 1 11 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.180 -0.469 19586 7402 1 11 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.910 -1.817 19586 7403 1 11 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.948 -3.833 19586 7404 1 11 . 1 1 102 102 ALA H H 102 9.178 9.178 8.513 0.665 19586 7405 1 11 . 1 1 103 103 ALA N N 103 118.443 118.443 118.006 0.437 19586 7406 1 11 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.243 -0.382 19586 7407 1 11 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.048 -0.639 19586 7408 1 11 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.866 -2.409 19586 7409 1 11 . 1 1 103 103 ALA H H 103 8.132 8.132 8.346 -0.214 19586 7410 1 11 . 1 1 104 104 GLU N N 104 120.139 120.139 119.749 0.390 19586 7411 1 11 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.084 -0.245 19586 7412 1 11 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.227 -2.664 19586 7413 1 11 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.505 -3.105 19586 7414 1 11 . 1 1 104 104 GLU H H 104 7.786 7.786 7.534 0.252 19586 7415 1 11 . 1 1 105 105 LEU N N 105 121.545 121.545 118.831 2.714 19586 7416 1 11 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.855 0.047 19586 7417 1 11 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.574 -1.841 19586 7418 1 11 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.342 -1.133 19586 7419 1 11 . 1 1 105 105 LEU H H 105 8.240 8.240 7.675 0.565 19586 7420 1 11 . 1 1 106 106 ARG N N 106 118.625 118.625 119.045 -0.420 19586 7421 1 11 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.923 -0.084 19586 7422 1 11 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.304 -1.959 19586 7423 1 11 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.410 0.980 19586 7424 1 11 . 1 1 106 106 ARG H H 106 8.761 8.761 8.339 0.422 19586 7425 1 11 . 1 1 107 107 HIS N N 107 119.052 119.052 118.873 0.179 19586 7426 1 11 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.380 -0.478 19586 7427 1 11 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.605 -2.798 19586 7428 1 11 . 1 1 107 107 HIS CB C 107 27.198 27.198 29.935 -2.737 19586 7429 1 11 . 1 1 107 107 HIS H H 107 7.946 7.946 7.416 0.530 19586 7430 1 11 . 1 1 108 108 VAL N N 108 119.160 119.160 121.349 -2.189 19586 7431 1 11 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.766 -0.324 19586 7432 1 11 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.948 -1.663 19586 7433 1 11 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.717 -2.809 19586 7434 1 11 . 1 1 108 108 VAL H H 108 7.736 7.736 8.208 -0.472 19586 7435 1 11 . 1 1 109 109 MET N N 109 115.333 115.333 117.002 -1.669 19586 7436 1 11 . 1 1 109 109 MET HA H 109 4.139 4.139 4.010 0.129 19586 7437 1 11 . 1 1 109 109 MET CA C 109 54.686 54.686 58.066 -3.380 19586 7438 1 11 . 1 1 109 109 MET CB C 109 29.706 29.706 31.368 -1.662 19586 7439 1 11 . 1 1 109 109 MET H H 109 8.074 8.074 8.957 -0.883 19586 7440 1 11 . 1 1 110 110 THR N N 110 116.714 116.714 114.831 1.883 19586 7441 1 11 . 1 1 110 110 THR HA H 110 3.935 3.935 4.157 -0.222 19586 7442 1 11 . 1 1 110 110 THR CA C 110 63.845 63.845 66.350 -2.505 19586 7443 1 11 . 1 1 110 110 THR CB C 110 66.072 66.072 68.262 -2.190 19586 7444 1 11 . 1 1 110 110 THR H H 110 8.515 8.515 7.709 0.806 19586 7445 1 11 . 1 1 111 111 ASN N N 111 123.784 123.784 119.714 4.070 19586 7446 1 11 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.778 -0.536 19586 7447 1 11 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.140 -2.047 19586 7448 1 11 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.602 -3.310 19586 7449 1 11 . 1 1 111 111 ASN H H 111 7.890 7.890 7.694 0.196 19586 7450 1 11 . 1 1 112 112 LEU N N 112 118.227 118.227 116.652 1.575 19586 7451 1 11 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.516 -0.401 19586 7452 1 11 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.768 -2.115 19586 7453 1 11 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.434 -1.696 19586 7454 1 11 . 1 1 112 112 LEU H H 112 7.621 7.621 7.478 0.143 19586 7455 1 11 . 1 1 113 113 GLY N N 113 106.787 106.787 106.460 0.327 19586 7456 1 11 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.049 -2.513 19586 7457 1 11 . 1 1 113 113 GLY H H 113 7.701 7.701 7.425 0.276 19586 7458 1 11 . 1 1 114 114 GLU N N 114 120.288 120.288 119.040 1.248 19586 7459 1 11 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.508 -0.266 19586 7460 1 11 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.798 -1.731 19586 7461 1 11 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.292 -3.676 19586 7462 1 11 . 1 1 114 114 GLU H H 114 7.864 7.864 8.358 -0.494 19586 7463 1 11 . 1 1 115 115 LYS N N 115 124.987 124.987 125.933 -0.946 19586 7464 1 11 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.122 0.101 19586 7465 1 11 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.643 -3.795 19586 7466 1 11 . 1 1 115 115 LYS CB C 115 30.957 30.957 30.928 0.029 19586 7467 1 11 . 1 1 115 115 LYS H H 115 8.491 8.491 8.439 0.052 19586 7468 1 11 . 1 1 116 116 LEU N N 116 124.912 124.912 121.467 3.445 19586 7469 1 11 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.740 -0.028 19586 7470 1 11 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.476 -2.387 19586 7471 1 11 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.106 -1.518 19586 7472 1 11 . 1 1 116 116 LEU H H 116 7.978 7.978 7.745 0.233 19586 7473 1 11 . 1 1 117 117 THR N N 117 114.220 114.220 113.325 0.895 19586 7474 1 11 . 1 1 117 117 THR HA H 117 4.302 4.302 4.363 -0.061 19586 7475 1 11 . 1 1 117 117 THR CA C 117 57.834 57.834 60.252 -2.418 19586 7476 1 11 . 1 1 117 117 THR CB C 117 68.580 68.580 70.630 -2.050 19586 7477 1 11 . 1 1 117 117 THR H H 117 9.093 9.093 8.117 0.976 19586 7478 1 11 . 1 1 118 118 ASP N N 118 120.925 120.925 121.213 -0.288 19586 7479 1 11 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.267 -0.209 19586 7480 1 11 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.891 -2.648 19586 7481 1 11 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.777 -3.775 19586 7482 1 11 . 1 1 118 118 ASP H H 118 8.764 8.764 8.622 0.142 19586 7483 1 11 . 1 1 119 119 GLU N N 119 119.395 119.395 118.292 1.103 19586 7484 1 11 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.008 -0.081 19586 7485 1 11 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.169 -2.021 19586 7486 1 11 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.971 -3.040 19586 7487 1 11 . 1 1 119 119 GLU H H 119 8.509 8.509 8.603 -0.094 19586 7488 1 11 . 1 1 120 120 GLU N N 120 119.909 119.909 118.915 0.994 19586 7489 1 11 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.174 -0.278 19586 7490 1 11 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.529 -2.210 19586 7491 1 11 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.756 -3.926 19586 7492 1 11 . 1 1 120 120 GLU H H 120 7.585 7.585 7.631 -0.046 19586 7493 1 11 . 1 1 121 121 VAL N N 121 122.092 122.092 116.751 5.341 19586 7494 1 11 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.707 -0.265 19586 7495 1 11 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.682 -1.592 19586 7496 1 11 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.667 -2.987 19586 7497 1 11 . 1 1 121 121 VAL H H 121 7.849 7.849 7.095 0.754 19586 7498 1 11 . 1 1 122 122 ASP N N 122 120.167 120.167 120.989 -0.822 19586 7499 1 11 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.259 -0.102 19586 7500 1 11 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.318 -3.417 19586 7501 1 11 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.811 -3.239 19586 7502 1 11 . 1 1 122 122 ASP H H 122 7.912 7.912 8.642 -0.730 19586 7503 1 11 . 1 1 123 123 GLU N N 123 119.087 119.087 118.015 1.072 19586 7504 1 11 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.127 -0.231 19586 7505 1 11 . 1 1 123 123 GLU CA C 123 56.612 56.612 59.010 -2.398 19586 7506 1 11 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.544 -3.372 19586 7507 1 11 . 1 1 123 123 GLU H H 123 7.839 7.839 8.024 -0.185 19586 7508 1 11 . 1 1 124 124 MET N N 124 118.897 118.897 117.833 1.064 19586 7509 1 11 . 1 1 124 124 MET HA H 124 3.867 3.867 4.285 -0.418 19586 7510 1 11 . 1 1 124 124 MET CA C 124 56.905 56.905 58.704 -1.799 19586 7511 1 11 . 1 1 124 124 MET CB C 124 29.250 29.250 33.134 -3.884 19586 7512 1 11 . 1 1 124 124 MET H H 124 7.433 7.433 7.440 -0.007 19586 7513 1 11 . 1 1 125 125 ILE N N 125 118.001 118.001 114.954 3.047 19586 7514 1 11 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.239 -0.859 19586 7515 1 11 . 1 1 125 125 ILE CA C 125 60.131 60.131 62.729 -2.598 19586 7516 1 11 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.167 -4.927 19586 7517 1 11 . 1 1 125 125 ILE H H 125 7.658 7.658 8.326 -0.668 19586 7518 1 11 . 1 1 126 126 ARG N N 126 117.720 117.720 120.020 -2.300 19586 7519 1 11 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.067 -0.184 19586 7520 1 11 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.549 -2.876 19586 7521 1 11 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.207 -0.729 19586 7522 1 11 . 1 1 126 126 ARG H H 126 7.974 7.974 8.271 -0.297 19586 7523 1 11 . 1 1 127 127 GLU N N 127 117.050 117.050 116.929 0.121 19586 7524 1 11 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.222 -0.255 19586 7525 1 11 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.251 -1.932 19586 7526 1 11 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.710 -3.424 19586 7527 1 11 . 1 1 127 127 GLU H H 127 7.635 7.635 7.700 -0.065 19586 7528 1 11 . 1 1 128 128 ALA N N 128 116.966 116.966 120.340 -3.374 19586 7529 1 11 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.335 0.165 19586 7530 1 11 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.342 -4.137 19586 7531 1 11 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.105 0.000 19586 7532 1 11 . 1 1 128 128 ALA H H 128 7.155 7.155 7.253 -0.098 19586 7533 1 11 . 1 1 129 129 ASP N N 129 118.033 118.033 119.531 -1.498 19586 7534 1 11 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.850 -0.499 19586 7535 1 11 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.101 -1.279 19586 7536 1 11 . 1 1 129 129 ASP CB C 129 37.686 37.686 42.046 -4.360 19586 7537 1 11 . 1 1 129 129 ASP H H 129 7.806 7.806 7.642 0.164 19586 7538 1 11 . 1 1 130 130 ILE N N 130 127.927 127.927 121.535 6.392 19586 7539 1 11 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.164 -0.367 19586 7540 1 11 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.654 -2.132 19586 7541 1 11 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.198 -2.108 19586 7542 1 11 . 1 1 130 130 ILE H H 130 8.115 8.115 8.522 -0.407 19586 7543 1 11 . 1 1 131 131 ASP N N 131 116.634 116.634 119.603 -2.969 19586 7544 1 11 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.681 -0.338 19586 7545 1 11 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.948 -2.761 19586 7546 1 11 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.387 -3.919 19586 7547 1 11 . 1 1 131 131 ASP H H 131 8.202 8.202 8.001 0.201 19586 7548 1 11 . 1 1 132 132 GLY N N 132 108.586 108.586 109.212 -0.626 19586 7549 1 11 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.940 -1.302 19586 7550 1 11 . 1 1 132 132 GLY H H 132 7.535 7.535 7.493 0.042 19586 7551 1 11 . 1 1 133 133 ASP N N 133 120.377 120.377 120.115 0.262 19586 7552 1 11 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.618 -0.267 19586 7553 1 11 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.340 -3.398 19586 7554 1 11 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.324 -3.866 19586 7555 1 11 . 1 1 133 133 ASP H H 133 8.215 8.215 8.701 -0.486 19586 7556 1 11 . 1 1 134 134 GLY N N 134 112.226 112.226 106.089 6.137 19586 7557 1 11 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.480 -2.358 19586 7558 1 11 . 1 1 134 134 GLY H H 134 9.971 9.971 8.496 1.475 19586 7559 1 11 . 1 1 135 135 GLN N N 135 115.229 115.229 116.994 -1.765 19586 7560 1 11 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.941 -0.810 19586 7561 1 11 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.649 -4.195 19586 7562 1 11 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.107 -3.493 19586 7563 1 11 . 1 1 135 135 GLN H H 135 7.835 7.835 7.572 0.263 19586 7564 1 11 . 1 1 136 136 VAL N N 136 125.238 125.238 121.250 3.988 19586 7565 1 11 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.368 0.728 19586 7566 1 11 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.370 -1.657 19586 7567 1 11 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.589 -1.173 19586 7568 1 11 . 1 1 136 136 VAL H H 136 8.958 8.958 9.038 -0.080 19586 7569 1 11 . 1 1 137 137 ASN N N 137 129.058 129.058 125.591 3.467 19586 7570 1 11 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.881 0.345 19586 7571 1 11 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.864 -3.512 19586 7572 1 11 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.869 -4.229 19586 7573 1 11 . 1 1 137 137 ASN H H 137 9.435 9.435 8.654 0.781 19586 7574 1 11 . 1 1 138 138 TYR N N 138 118.627 118.627 119.021 -0.394 19586 7575 1 11 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.410 -1.218 19586 7576 1 11 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.578 -0.909 19586 7577 1 11 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.809 -0.237 19586 7578 1 11 . 1 1 138 138 TYR H H 138 8.146 8.146 7.683 0.463 19586 7579 1 11 . 1 1 139 139 GLU N N 139 118.701 118.701 120.991 -2.290 19586 7580 1 11 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.985 -0.474 19586 7581 1 11 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.642 -2.102 19586 7582 1 11 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.617 -2.343 19586 7583 1 11 . 1 1 139 139 GLU H H 139 7.974 7.974 7.981 -0.007 19586 7584 1 11 . 1 1 140 140 GLU N N 140 119.774 119.774 118.215 1.559 19586 7585 1 11 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.128 -0.217 19586 7586 1 11 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.523 -2.498 19586 7587 1 11 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.436 -3.162 19586 7588 1 11 . 1 1 140 140 GLU H H 140 8.676 8.676 8.306 0.370 19586 7589 1 11 . 1 1 141 141 PHE N N 141 124.074 124.074 120.165 3.909 19586 7590 1 11 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.050 -0.403 19586 7591 1 11 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.332 -0.885 19586 7592 1 11 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.926 -1.240 19586 7593 1 11 . 1 1 141 141 PHE H H 141 8.507 8.507 7.525 0.982 19586 7594 1 11 . 1 1 142 142 VAL N N 142 119.203 119.203 115.375 3.828 19586 7595 1 11 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.202 -0.244 19586 7596 1 11 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.554 -1.122 19586 7597 1 11 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.587 -1.679 19586 7598 1 11 . 1 1 142 142 VAL H H 142 8.639 8.639 7.298 1.341 19586 7599 1 11 . 1 1 143 143 GLN N N 143 120.173 120.173 119.996 0.177 19586 7600 1 11 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.930 -0.259 19586 7601 1 11 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.720 -2.206 19586 7602 1 11 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.321 -3.075 19586 7603 1 11 . 1 1 143 143 GLN H H 143 7.818 7.818 7.547 0.271 19586 7604 1 11 . 1 1 144 144 MET N N 144 118.573 118.573 115.247 3.326 19586 7605 1 11 . 1 1 144 144 MET HA H 144 3.882 3.882 4.271 -0.389 19586 7606 1 11 . 1 1 144 144 MET CA C 144 55.683 55.683 56.446 -0.763 19586 7607 1 11 . 1 1 144 144 MET CB C 144 28.110 28.110 32.440 -4.330 19586 7608 1 11 . 1 1 144 144 MET H H 144 7.403 7.403 7.340 0.063 19586 7609 1 11 . 1 1 145 145 MET N N 145 114.053 114.053 118.525 -4.472 19586 7610 1 11 . 1 1 145 145 MET HA H 145 3.940 3.940 4.162 -0.222 19586 7611 1 11 . 1 1 145 145 MET CA C 145 53.630 53.630 56.920 -3.290 19586 7612 1 11 . 1 1 145 145 MET CB C 145 29.592 29.592 32.335 -2.743 19586 7613 1 11 . 1 1 145 145 MET H H 145 7.534 7.534 7.448 0.086 19586 7614 1 11 . 1 1 146 146 THR N N 146 109.275 109.275 114.289 -5.014 19586 7615 1 11 . 1 1 146 146 THR HA H 146 4.175 4.175 4.142 0.033 19586 7616 1 11 . 1 1 146 146 THR CA C 146 59.251 59.251 64.485 -5.234 19586 7617 1 11 . 1 1 146 146 THR CB C 146 67.896 67.896 69.082 -1.186 19586 7618 1 11 . 1 1 146 146 THR H H 146 7.554 7.554 7.622 -0.068 19586 7619 1 11 . 1 1 147 147 ALA N N 147 126.913 126.913 123.381 3.532 19586 7620 1 11 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.478 -0.361 19586 7621 1 11 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.827 -0.520 19586 7622 1 11 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.261 -2.925 19586 7623 1 11 . 1 1 147 147 ALA H H 147 7.406 7.406 7.307 0.099 19586 7624 1 12 . 1 1 2 2 ASP N N 2 120.378 120.378 121.802 -1.424 19586 7625 1 12 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.791 -0.206 19586 7626 1 12 . 1 1 2 2 ASP CA C 2 51.960 51.960 53.422 -1.462 19586 7627 1 12 . 1 1 2 2 ASP H H 2 8.506 8.506 8.327 0.179 19586 7628 1 12 . 1 1 3 3 GLN N N 3 119.707 119.707 120.074 -0.367 19586 7629 1 12 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.633 -0.421 19586 7630 1 12 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.034 -2.299 19586 7631 1 12 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.714 -0.640 19586 7632 1 12 . 1 1 3 3 GLN H H 3 8.208 8.208 8.374 -0.166 19586 7633 1 12 . 1 1 4 4 LEU N N 4 123.069 123.069 122.153 0.916 19586 7634 1 12 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.591 -0.451 19586 7635 1 12 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.750 -4.092 19586 7636 1 12 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.260 -2.636 19586 7637 1 12 . 1 1 4 4 LEU H H 4 8.181 8.181 8.730 -0.549 19586 7638 1 12 . 1 1 5 5 THR N N 5 112.909 112.909 112.798 0.111 19586 7639 1 12 . 1 1 5 5 THR HA H 5 4.322 4.322 4.832 -0.510 19586 7640 1 12 . 1 1 5 5 THR CA C 5 57.687 57.687 63.795 -6.108 19586 7641 1 12 . 1 1 5 5 THR CB C 5 68.580 68.580 69.153 -0.574 19586 7642 1 12 . 1 1 5 5 THR H H 5 8.607 8.607 7.825 0.782 19586 7643 1 12 . 1 1 6 6 GLU N N 6 120.224 120.224 121.345 -1.121 19586 7644 1 12 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.116 -0.291 19586 7645 1 12 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.449 -2.202 19586 7646 1 12 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.401 -0.265 19586 7647 1 12 . 1 1 6 6 GLU H H 6 8.877 8.877 8.668 0.209 19586 7648 1 12 . 1 1 7 7 GLU N N 7 119.350 119.350 116.410 2.940 19586 7649 1 12 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.172 -0.255 19586 7650 1 12 . 1 1 7 7 GLU CA C 7 57.198 57.198 57.678 -0.479 19586 7651 1 12 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.199 -2.925 19586 7652 1 12 . 1 1 7 7 GLU H H 7 8.524 8.524 8.546 -0.022 19586 7653 1 12 . 1 1 8 8 GLN N N 8 119.917 119.917 116.352 3.565 19586 7654 1 12 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.215 -0.312 19586 7655 1 12 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.201 -2.225 19586 7656 1 12 . 1 1 8 8 GLN CB C 8 26.400 26.400 30.085 -3.686 19586 7657 1 12 . 1 1 8 8 GLN H H 8 7.603 7.603 7.433 0.170 19586 7658 1 12 . 1 1 9 9 ILE N N 9 119.503 119.503 110.763 8.740 19586 7659 1 12 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.479 -0.840 19586 7660 1 12 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.064 2.732 19586 7661 1 12 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.925 -3.747 19586 7662 1 12 . 1 1 9 9 ILE H H 9 8.260 8.260 7.511 0.749 19586 7663 1 12 . 1 1 10 10 ALA N N 10 121.044 121.044 124.946 -3.902 19586 7664 1 12 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.192 -0.231 19586 7665 1 12 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.750 -2.048 19586 7666 1 12 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.636 -3.522 19586 7667 1 12 . 1 1 10 10 ALA H H 10 7.840 7.840 7.775 0.065 19586 7668 1 12 . 1 1 11 11 GLU N N 11 119.113 119.113 118.110 1.003 19586 7669 1 12 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.340 -0.432 19586 7670 1 12 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.070 -0.507 19586 7671 1 12 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.443 -3.043 19586 7672 1 12 . 1 1 11 11 GLU H H 11 7.635 7.635 8.673 -1.038 19586 7673 1 12 . 1 1 12 12 PHE N N 12 119.574 119.574 120.423 -0.849 19586 7674 1 12 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.289 0.497 19586 7675 1 12 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.685 -4.731 19586 7676 1 12 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.663 -4.599 19586 7677 1 12 . 1 1 12 12 PHE H H 12 8.441 8.441 7.669 0.772 19586 7678 1 12 . 1 1 13 13 LYS N N 13 123.454 123.454 119.820 3.634 19586 7679 1 12 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.331 -0.428 19586 7680 1 12 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.471 -1.175 19586 7681 1 12 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.141 -2.549 19586 7682 1 12 . 1 1 13 13 LYS H H 13 9.103 9.103 7.913 1.190 19586 7683 1 12 . 1 1 14 14 GLU N N 14 119.525 119.525 117.446 2.079 19586 7684 1 12 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.362 -0.451 19586 7685 1 12 . 1 1 14 14 GLU CA C 14 56.465 56.465 58.188 -1.723 19586 7686 1 12 . 1 1 14 14 GLU CB C 14 26.502 26.502 29.881 -3.379 19586 7687 1 12 . 1 1 14 14 GLU H H 14 7.667 7.667 8.031 -0.364 19586 7688 1 12 . 1 1 15 15 ALA N N 15 121.983 121.983 122.827 -0.844 19586 7689 1 12 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.118 -0.157 19586 7690 1 12 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.665 -1.914 19586 7691 1 12 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.668 -3.440 19586 7692 1 12 . 1 1 15 15 ALA H H 15 7.816 7.816 7.640 0.176 19586 7693 1 12 . 1 1 16 16 PHE N N 16 118.874 118.874 118.853 0.021 19586 7694 1 12 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.057 -0.962 19586 7695 1 12 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.299 -0.755 19586 7696 1 12 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.126 -2.352 19586 7697 1 12 . 1 1 16 16 PHE H H 16 8.764 8.764 8.081 0.683 19586 7698 1 12 . 1 1 17 17 SER N N 17 111.578 111.578 113.519 -1.941 19586 7699 1 12 . 1 1 17 17 SER HA H 17 3.979 3.979 4.235 -0.256 19586 7700 1 12 . 1 1 17 17 SER CA C 17 58.567 58.567 60.581 -2.014 19586 7701 1 12 . 1 1 17 17 SER CB C 17 60.600 60.600 62.919 -2.319 19586 7702 1 12 . 1 1 17 17 SER H H 17 7.825 7.825 8.472 -0.647 19586 7703 1 12 . 1 1 18 18 LEU N N 18 121.167 121.167 119.304 1.863 19586 7704 1 12 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.076 -0.129 19586 7705 1 12 . 1 1 18 18 LEU CA C 18 54.608 54.608 56.301 -1.693 19586 7706 1 12 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.042 -2.404 19586 7707 1 12 . 1 1 18 18 LEU H H 18 7.240 7.240 7.115 0.125 19586 7708 1 12 . 1 1 19 19 PHE N N 19 114.405 114.405 115.754 -1.349 19586 7709 1 12 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.292 -0.381 19586 7710 1 12 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.496 -2.249 19586 7711 1 12 . 1 1 19 19 PHE CB C 19 33.810 33.810 40.234 -6.424 19586 7712 1 12 . 1 1 19 19 PHE H H 19 7.090 7.090 7.026 0.064 19586 7713 1 12 . 1 1 20 20 ASP N N 20 115.823 115.823 119.969 -4.146 19586 7714 1 12 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.473 0.003 19586 7715 1 12 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.795 -5.319 19586 7716 1 12 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.161 -2.379 19586 7717 1 12 . 1 1 20 20 ASP H H 20 7.662 7.662 7.609 0.053 19586 7718 1 12 . 1 1 21 21 LYS N N 21 124.906 124.906 122.678 2.228 19586 7719 1 12 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.132 -0.346 19586 7720 1 12 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.232 -2.207 19586 7721 1 12 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.512 -2.812 19586 7722 1 12 . 1 1 21 21 LYS H H 21 7.539 7.539 8.100 -0.561 19586 7723 1 12 . 1 1 22 22 ASP N N 22 113.550 113.550 118.419 -4.869 19586 7724 1 12 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.651 -0.220 19586 7725 1 12 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.952 -4.987 19586 7726 1 12 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.222 -4.448 19586 7727 1 12 . 1 1 22 22 ASP H H 22 7.965 7.965 8.150 -0.185 19586 7728 1 12 . 1 1 23 23 GLY N N 23 109.354 109.354 107.916 1.438 19586 7729 1 12 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.767 -1.325 19586 7730 1 12 . 1 1 23 23 GLY H H 23 7.606 7.606 8.316 -0.710 19586 7731 1 12 . 1 1 24 24 ASP N N 24 120.643 120.643 121.004 -0.361 19586 7732 1 12 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.714 -0.359 19586 7733 1 12 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.127 -3.087 19586 7734 1 12 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.114 -3.429 19586 7735 1 12 . 1 1 24 24 ASP H H 24 8.266 8.266 8.549 -0.283 19586 7736 1 12 . 1 1 25 25 GLY N N 25 113.205 113.205 107.580 5.625 19586 7737 1 12 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.319 -2.636 19586 7738 1 12 . 1 1 25 25 GLY H H 25 10.545 10.545 8.088 2.457 19586 7739 1 12 . 1 1 26 26 THR N N 26 112.852 112.852 109.707 3.145 19586 7740 1 12 . 1 1 26 26 THR HA H 26 5.170 5.170 5.054 0.116 19586 7741 1 12 . 1 1 26 26 THR CA C 26 56.954 56.954 60.550 -3.596 19586 7742 1 12 . 1 1 26 26 THR CB C 26 69.948 69.948 71.803 -1.855 19586 7743 1 12 . 1 1 26 26 THR H H 26 8.020 8.020 7.751 0.269 19586 7744 1 12 . 1 1 27 27 ILE N N 27 127.005 127.005 120.703 6.302 19586 7745 1 12 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.449 -0.622 19586 7746 1 12 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.096 -1.165 19586 7747 1 12 . 1 1 27 27 ILE CB C 27 37.230 37.230 41.053 -3.823 19586 7748 1 12 . 1 1 27 27 ILE H H 27 9.689 9.689 8.294 1.395 19586 7749 1 12 . 1 1 28 28 THR N N 28 116.439 116.439 117.009 -0.570 19586 7750 1 12 . 1 1 28 28 THR HA H 28 4.642 4.642 4.331 0.311 19586 7751 1 12 . 1 1 28 28 THR CA C 28 56.612 56.612 63.011 -6.399 19586 7752 1 12 . 1 1 28 28 THR CB C 28 69.606 69.606 69.583 0.023 19586 7753 1 12 . 1 1 28 28 THR H H 28 8.275 8.275 8.527 -0.252 19586 7754 1 12 . 1 1 29 29 THR N N 29 113.287 113.287 120.095 -6.808 19586 7755 1 12 . 1 1 29 29 THR HA H 29 3.635 3.635 4.023 -0.388 19586 7756 1 12 . 1 1 29 29 THR CA C 29 63.845 63.845 66.185 -2.340 19586 7757 1 12 . 1 1 29 29 THR CB C 29 65.616 65.616 68.846 -3.230 19586 7758 1 12 . 1 1 29 29 THR H H 29 9.054 9.054 8.795 0.259 19586 7759 1 12 . 1 1 30 30 LYS N N 30 121.230 121.230 117.699 3.531 19586 7760 1 12 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.059 -0.156 19586 7761 1 12 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.884 -2.419 19586 7762 1 12 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.108 -2.408 19586 7763 1 12 . 1 1 30 30 LYS H H 30 7.578 7.578 8.443 -0.865 19586 7764 1 12 . 1 1 31 31 GLU N N 31 122.002 122.002 118.172 3.830 19586 7765 1 12 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.265 -0.402 19586 7766 1 12 . 1 1 31 31 GLU CA C 31 57.149 57.149 58.769 -1.620 19586 7767 1 12 . 1 1 31 31 GLU CB C 31 26.058 26.058 29.939 -3.881 19586 7768 1 12 . 1 1 31 31 GLU H H 31 7.712 7.712 7.516 0.196 19586 7769 1 12 . 1 1 32 32 LEU N N 32 119.130 119.130 119.309 -0.179 19586 7770 1 12 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.182 -0.257 19586 7771 1 12 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.822 -1.293 19586 7772 1 12 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.478 -1.497 19586 7773 1 12 . 1 1 32 32 LEU H H 32 8.509 8.509 7.549 0.960 19586 7774 1 12 . 1 1 33 33 GLY N N 33 103.747 103.747 105.460 -1.713 19586 7775 1 12 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.073 -0.409 19586 7776 1 12 . 1 1 33 33 GLY H H 33 8.388 8.388 7.698 0.690 19586 7777 1 12 . 1 1 34 34 THR N N 34 117.487 117.487 116.153 1.334 19586 7778 1 12 . 1 1 34 34 THR HA H 34 3.795 3.795 4.272 -0.477 19586 7779 1 12 . 1 1 34 34 THR CA C 34 64.285 64.285 62.561 1.724 19586 7780 1 12 . 1 1 34 34 THR CB C 34 66.186 66.186 68.375 -2.189 19586 7781 1 12 . 1 1 34 34 THR H H 34 7.935 7.935 7.653 0.282 19586 7782 1 12 . 1 1 35 35 VAL N N 35 120.287 120.287 119.162 1.125 19586 7783 1 12 . 1 1 35 35 VAL H H 35 7.089 7.089 7.174 -0.085 19586 7784 1 12 . 1 1 36 36 MET N N 36 117.816 117.816 118.614 -0.798 19586 7785 1 12 . 1 1 36 36 MET HA H 36 3.911 3.911 4.252 -0.341 19586 7786 1 12 . 1 1 36 36 MET CA C 36 57.101 57.101 58.875 -1.774 19586 7787 1 12 . 1 1 36 36 MET CB C 36 29.929 29.929 32.709 -2.780 19586 7788 1 12 . 1 1 36 36 MET H H 36 8.318 8.318 7.695 0.623 19586 7789 1 12 . 1 1 37 37 ARG N N 37 117.706 117.706 118.656 -0.950 19586 7790 1 12 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.088 0.610 19586 7791 1 12 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.180 -2.008 19586 7792 1 12 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.146 -2.062 19586 7793 1 12 . 1 1 37 37 ARG H H 37 8.233 8.233 8.670 -0.437 19586 7794 1 12 . 1 1 38 38 SER N N 38 118.974 118.974 113.858 5.116 19586 7795 1 12 . 1 1 38 38 SER HA H 38 4.187 4.187 4.421 -0.234 19586 7796 1 12 . 1 1 38 38 SER CA C 38 59.251 59.251 59.976 -0.725 19586 7797 1 12 . 1 1 38 38 SER CB C 38 67.782 67.782 63.423 4.359 19586 7798 1 12 . 1 1 38 38 SER H H 38 7.874 7.874 7.652 0.222 19586 7799 1 12 . 1 1 39 39 LEU N N 39 118.835 118.835 121.494 -2.659 19586 7800 1 12 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.643 -0.504 19586 7801 1 12 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.801 -3.469 19586 7802 1 12 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.065 -2.427 19586 7803 1 12 . 1 1 39 39 LEU H H 39 7.248 7.248 7.750 -0.502 19586 7804 1 12 . 1 1 40 40 GLY N N 40 104.990 104.990 106.051 -1.061 19586 7805 1 12 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.719 -2.841 19586 7806 1 12 . 1 1 40 40 GLY H H 40 7.471 7.471 7.975 -0.504 19586 7807 1 12 . 1 1 41 41 GLN N N 41 118.032 118.032 118.823 -0.791 19586 7808 1 12 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.550 -0.180 19586 7809 1 12 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.367 -3.180 19586 7810 1 12 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.186 -0.567 19586 7811 1 12 . 1 1 41 41 GLN H H 41 7.860 7.860 7.903 -0.043 19586 7812 1 12 . 1 1 42 42 ASN N N 42 115.671 115.671 116.482 -0.811 19586 7813 1 12 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.065 0.029 19586 7814 1 12 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.708 -2.014 19586 7815 1 12 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.698 -3.144 19586 7816 1 12 . 1 1 42 42 ASN H H 42 8.561 8.561 8.360 0.201 19586 7817 1 12 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.627 0.084 19586 7818 1 12 . 1 1 44 44 THR N N 44 113.509 113.509 121.182 -7.673 19586 7819 1 12 . 1 1 44 44 THR HA H 44 4.321 4.321 4.256 0.065 19586 7820 1 12 . 1 1 44 44 THR CA C 44 57.638 57.638 62.792 -5.154 19586 7821 1 12 . 1 1 44 44 THR CB C 44 68.466 68.466 67.912 0.554 19586 7822 1 12 . 1 1 44 44 THR H H 44 8.882 8.882 8.411 0.471 19586 7823 1 12 . 1 1 45 45 GLU N N 45 120.506 120.506 127.552 -7.046 19586 7824 1 12 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.963 -0.083 19586 7825 1 12 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.588 -2.487 19586 7826 1 12 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.687 -3.413 19586 7827 1 12 . 1 1 45 45 GLU H H 45 8.662 8.662 8.115 0.547 19586 7828 1 12 . 1 1 46 46 ALA N N 46 120.586 120.586 119.457 1.129 19586 7829 1 12 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.191 -0.266 19586 7830 1 12 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.099 -1.788 19586 7831 1 12 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.349 -3.269 19586 7832 1 12 . 1 1 46 46 ALA H H 46 8.139 8.139 8.419 -0.280 19586 7833 1 12 . 1 1 47 47 GLU N N 47 118.171 118.171 119.087 -0.916 19586 7834 1 12 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.106 -0.230 19586 7835 1 12 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.850 -2.580 19586 7836 1 12 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.703 -3.417 19586 7837 1 12 . 1 1 47 47 GLU H H 47 7.597 7.597 7.599 -0.002 19586 7838 1 12 . 1 1 48 48 LEU N N 48 120.228 120.228 116.442 3.786 19586 7839 1 12 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.029 -0.102 19586 7840 1 12 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.789 -2.741 19586 7841 1 12 . 1 1 48 48 LEU CB C 48 39.981 39.981 39.941 0.040 19586 7842 1 12 . 1 1 48 48 LEU H H 48 7.848 7.848 7.440 0.408 19586 7843 1 12 . 1 1 49 49 GLN N N 49 117.910 117.910 118.200 -0.290 19586 7844 1 12 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.090 -0.189 19586 7845 1 12 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.885 -3.152 19586 7846 1 12 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.512 -0.631 19586 7847 1 12 . 1 1 49 49 GLN H H 49 8.037 8.037 8.004 0.033 19586 7848 1 12 . 1 1 50 50 ASP N N 50 119.284 119.284 119.219 0.065 19586 7849 1 12 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.469 -0.312 19586 7850 1 12 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.384 -1.678 19586 7851 1 12 . 1 1 50 50 ASP CB C 50 37.572 37.572 41.001 -3.429 19586 7852 1 12 . 1 1 50 50 ASP H H 50 8.010 8.010 7.661 0.349 19586 7853 1 12 . 1 1 51 51 MET N N 51 119.245 119.245 117.603 1.642 19586 7854 1 12 . 1 1 51 51 MET HA H 51 3.923 3.923 4.489 -0.566 19586 7855 1 12 . 1 1 51 51 MET CA C 51 56.563 56.563 56.108 0.455 19586 7856 1 12 . 1 1 51 51 MET CB C 51 29.478 29.478 34.144 -4.666 19586 7857 1 12 . 1 1 51 51 MET H H 51 7.614 7.614 7.483 0.131 19586 7858 1 12 . 1 1 52 52 ILE N N 52 117.584 117.584 121.128 -3.544 19586 7859 1 12 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.664 -0.336 19586 7860 1 12 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.458 -2.568 19586 7861 1 12 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.002 -2.508 19586 7862 1 12 . 1 1 52 52 ILE H H 52 7.514 7.514 8.876 -1.362 19586 7863 1 12 . 1 1 53 53 ASN N N 53 117.126 117.126 118.081 -0.955 19586 7864 1 12 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.575 -0.353 19586 7865 1 12 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.412 -3.319 19586 7866 1 12 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.531 -3.239 19586 7867 1 12 . 1 1 53 53 ASN H H 53 8.418 8.418 7.684 0.734 19586 7868 1 12 . 1 1 54 54 GLU N N 54 116.380 116.380 116.283 0.097 19586 7869 1 12 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.258 -0.355 19586 7870 1 12 . 1 1 54 54 GLU CA C 54 56.123 56.123 57.995 -1.872 19586 7871 1 12 . 1 1 54 54 GLU CB C 54 26.400 26.400 29.785 -3.385 19586 7872 1 12 . 1 1 54 54 GLU H H 54 7.466 7.466 8.284 -0.818 19586 7873 1 12 . 1 1 55 55 VAL N N 55 108.622 108.622 115.476 -6.854 19586 7874 1 12 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.267 0.047 19586 7875 1 12 . 1 1 55 55 VAL CA C 55 58.176 58.176 63.058 -4.882 19586 7876 1 12 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.245 -2.083 19586 7877 1 12 . 1 1 55 55 VAL H H 55 7.044 7.044 7.556 -0.512 19586 7878 1 12 . 1 1 56 56 ASP N N 56 121.430 121.430 120.869 0.561 19586 7879 1 12 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.558 -0.168 19586 7880 1 12 . 1 1 56 56 ASP CA C 56 50.991 50.991 53.118 -2.127 19586 7881 1 12 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.372 -1.476 19586 7882 1 12 . 1 1 56 56 ASP H H 56 7.561 7.561 8.387 -0.826 19586 7883 1 12 . 1 1 57 57 ALA N N 57 131.840 131.840 123.655 8.185 19586 7884 1 12 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.132 -0.079 19586 7885 1 12 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.478 -2.998 19586 7886 1 12 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.085 -2.292 19586 7887 1 12 . 1 1 57 57 ALA H H 57 8.357 8.357 8.265 0.092 19586 7888 1 12 . 1 1 58 58 ASP N N 58 113.565 113.565 117.060 -3.495 19586 7889 1 12 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.728 -0.238 19586 7890 1 12 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.790 -2.874 19586 7891 1 12 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.109 -4.335 19586 7892 1 12 . 1 1 58 58 ASP H H 58 7.985 7.985 8.200 -0.215 19586 7893 1 12 . 1 1 59 59 GLY N N 59 108.187 108.187 108.896 -0.709 19586 7894 1 12 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.208 -1.717 19586 7895 1 12 . 1 1 59 59 GLY H H 59 7.424 7.424 7.669 -0.245 19586 7896 1 12 . 1 1 60 60 ASN N N 60 118.065 118.065 120.642 -2.577 19586 7897 1 12 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.685 -0.239 19586 7898 1 12 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.446 -3.676 19586 7899 1 12 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.017 -2.463 19586 7900 1 12 . 1 1 60 60 ASN H H 60 7.919 7.919 8.442 -0.523 19586 7901 1 12 . 1 1 61 61 GLY N N 61 113.247 113.247 107.075 6.172 19586 7902 1 12 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.500 -3.622 19586 7903 1 12 . 1 1 61 61 GLY H H 61 10.485 10.485 8.683 1.802 19586 7904 1 12 . 1 1 62 62 THR N N 62 108.699 108.699 113.651 -4.952 19586 7905 1 12 . 1 1 62 62 THR HA H 62 4.580 4.580 4.458 0.122 19586 7906 1 12 . 1 1 62 62 THR CA C 62 56.661 56.661 61.063 -4.402 19586 7907 1 12 . 1 1 62 62 THR H H 62 7.511 7.511 7.281 0.230 19586 7908 1 12 . 1 1 63 63 ILE N N 63 122.834 122.834 119.957 2.877 19586 7909 1 12 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.454 0.600 19586 7910 1 12 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.167 -2.066 19586 7911 1 12 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.702 -4.358 19586 7912 1 12 . 1 1 63 63 ILE H H 63 8.741 8.741 8.093 0.648 19586 7913 1 12 . 1 1 64 64 ASP N N 64 127.818 127.818 119.772 8.046 19586 7914 1 12 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.330 -0.092 19586 7915 1 12 . 1 1 64 64 ASP CA C 64 49.378 49.378 51.950 -2.572 19586 7916 1 12 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.953 -7.171 19586 7917 1 12 . 1 1 64 64 ASP H H 64 8.702 8.702 8.436 0.266 19586 7918 1 12 . 1 1 65 65 PHE N N 65 118.653 118.653 118.903 -0.250 19586 7919 1 12 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.397 -0.536 19586 7920 1 12 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.096 -2.379 19586 7921 1 12 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.224 -4.098 19586 7922 1 12 . 1 1 65 65 PHE H H 65 8.847 8.847 8.911 -0.064 19586 7923 1 12 . 1 1 67 67 GLU N N 67 117.631 117.631 116.618 1.013 19586 7924 1 12 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.192 -0.289 19586 7925 1 12 . 1 1 67 67 GLU CA C 67 56.337 56.337 58.061 -1.724 19586 7926 1 12 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.676 -2.631 19586 7927 1 12 . 1 1 67 67 GLU H H 67 7.940 7.940 8.715 -0.775 19586 7928 1 12 . 1 1 68 68 PHE N N 68 123.289 123.289 120.958 2.331 19586 7929 1 12 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.278 -0.438 19586 7930 1 12 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.463 -2.736 19586 7931 1 12 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.444 -1.872 19586 7932 1 12 . 1 1 68 68 PHE H H 68 8.757 8.757 7.579 1.178 19586 7933 1 12 . 1 1 69 69 LEU N N 69 118.867 118.867 117.827 1.040 19586 7934 1 12 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.216 -0.971 19586 7935 1 12 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.880 -1.722 19586 7936 1 12 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.537 -3.281 19586 7937 1 12 . 1 1 69 69 LEU H H 69 8.403 8.403 7.957 0.446 19586 7938 1 12 . 1 1 70 70 THR N N 70 116.302 116.302 112.798 3.504 19586 7939 1 12 . 1 1 70 70 THR HA H 70 3.624 3.624 4.070 -0.446 19586 7940 1 12 . 1 1 70 70 THR CA C 70 63.843 63.843 65.311 -1.468 19586 7941 1 12 . 1 1 70 70 THR CB C 70 65.502 65.502 68.490 -2.988 19586 7942 1 12 . 1 1 70 70 THR H H 70 7.540 7.540 8.063 -0.523 19586 7943 1 12 . 1 1 71 71 MET N N 71 121.710 121.710 118.959 2.751 19586 7944 1 12 . 1 1 71 71 MET HA H 71 3.903 3.903 4.351 -0.448 19586 7945 1 12 . 1 1 71 71 MET CA C 71 56.303 56.303 58.315 -2.012 19586 7946 1 12 . 1 1 71 71 MET CB C 71 29.706 29.706 32.193 -2.487 19586 7947 1 12 . 1 1 71 71 MET H H 71 7.723 7.723 7.291 0.432 19586 7948 1 12 . 1 1 72 72 MET N N 72 116.535 116.535 118.821 -2.286 19586 7949 1 12 . 1 1 72 72 MET HA H 72 3.773 3.773 4.321 -0.548 19586 7950 1 12 . 1 1 72 72 MET CA C 72 53.307 53.307 56.535 -3.228 19586 7951 1 12 . 1 1 72 72 MET CB C 72 28.787 28.787 32.399 -3.612 19586 7952 1 12 . 1 1 72 72 MET H H 72 7.982 7.982 7.928 0.054 19586 7953 1 12 . 1 1 73 73 ALA N N 73 121.584 121.584 122.653 -1.069 19586 7954 1 12 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.033 -0.153 19586 7955 1 12 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.819 -2.724 19586 7956 1 12 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.150 -2.808 19586 7957 1 12 . 1 1 73 73 ALA H H 73 8.074 8.074 7.466 0.608 19586 7958 1 12 . 1 1 74 74 ARG N N 74 115.784 115.784 116.902 -1.118 19586 7959 1 12 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.168 -0.265 19586 7960 1 12 . 1 1 74 74 ARG CA C 74 55.731 55.731 57.855 -2.124 19586 7961 1 12 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.207 -2.220 19586 7962 1 12 . 1 1 74 74 ARG H H 74 7.358 7.358 7.899 -0.541 19586 7963 1 12 . 1 1 75 75 LYS N N 75 117.245 117.245 116.875 0.370 19586 7964 1 12 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.316 -0.367 19586 7965 1 12 . 1 1 75 75 LYS CA C 75 53.947 53.947 56.318 -2.371 19586 7966 1 12 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.513 -6.112 19586 7967 1 12 . 1 1 75 75 LYS H H 75 7.640 7.640 7.899 -0.259 19586 7968 1 12 . 1 1 76 76 MET N N 76 117.971 117.971 121.106 -3.135 19586 7969 1 12 . 1 1 76 76 MET HA H 76 4.242 4.242 4.401 -0.159 19586 7970 1 12 . 1 1 76 76 MET CA C 76 53.947 53.947 54.787 -0.840 19586 7971 1 12 . 1 1 76 76 MET CB C 76 29.478 29.478 31.529 -2.051 19586 7972 1 12 . 1 1 76 76 MET H H 76 7.794 7.794 7.663 0.131 19586 7973 1 12 . 1 1 77 77 LYS N N 77 119.902 119.902 122.175 -2.273 19586 7974 1 12 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.371 -0.219 19586 7975 1 12 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.399 -2.116 19586 7976 1 12 . 1 1 77 77 LYS CB C 77 29.478 29.478 31.397 -1.919 19586 7977 1 12 . 1 1 77 77 LYS H H 77 7.622 7.622 7.563 0.059 19586 7978 1 12 . 1 1 78 78 ASP N N 78 119.146 119.146 124.320 -5.174 19586 7979 1 12 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.410 -0.167 19586 7980 1 12 . 1 1 78 78 ASP CA C 78 52.061 52.061 55.114 -3.053 19586 7981 1 12 . 1 1 78 78 ASP H H 78 7.991 7.991 8.451 -0.460 19586 7982 1 12 . 1 1 79 79 THR N N 79 112.750 112.750 114.572 -1.822 19586 7983 1 12 . 1 1 79 79 THR HA H 79 4.170 4.170 4.344 -0.174 19586 7984 1 12 . 1 1 79 79 THR CA C 79 59.030 59.030 62.250 -3.220 19586 7985 1 12 . 1 1 79 79 THR CB C 79 67.668 67.668 69.144 -1.476 19586 7986 1 12 . 1 1 79 79 THR H H 79 7.587 7.587 8.264 -0.677 19586 7987 1 12 . 1 1 80 80 ASP N N 80 122.888 122.888 127.710 -4.822 19586 7988 1 12 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.810 -0.439 19586 7989 1 12 . 1 1 80 80 ASP CA C 80 50.850 50.850 53.573 -2.723 19586 7990 1 12 . 1 1 80 80 ASP CB C 80 37.353 37.353 43.061 -5.708 19586 7991 1 12 . 1 1 80 80 ASP H H 80 8.354 8.354 8.348 0.006 19586 7992 1 12 . 1 1 81 81 SER N N 81 117.571 117.571 115.303 2.268 19586 7993 1 12 . 1 1 81 81 SER HA H 81 4.115 4.115 4.301 -0.186 19586 7994 1 12 . 1 1 81 81 SER CA C 81 57.717 57.717 61.335 -3.618 19586 7995 1 12 . 1 1 81 81 SER CB C 81 60.884 60.884 63.744 -2.860 19586 7996 1 12 . 1 1 81 81 SER H H 81 8.232 8.232 8.630 -0.398 19586 7997 1 12 . 1 1 82 82 GLU N N 82 121.860 121.860 121.200 0.660 19586 7998 1 12 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.086 -0.203 19586 7999 1 12 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.672 -2.965 19586 8000 1 12 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.244 0.348 19586 8001 1 12 . 1 1 82 82 GLU H H 82 8.364 8.364 8.814 -0.450 19586 8002 1 12 . 1 1 83 83 GLU N N 83 119.398 119.398 117.586 1.812 19586 8003 1 12 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.160 -0.277 19586 8004 1 12 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.498 -2.892 19586 8005 1 12 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.063 0.301 19586 8006 1 12 . 1 1 83 83 GLU H H 83 8.032 8.032 8.881 -0.849 19586 8007 1 12 . 1 1 84 84 GLU N N 84 118.279 118.279 119.001 -0.722 19586 8008 1 12 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.357 -0.486 19586 8009 1 12 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.175 -1.569 19586 8010 1 12 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.606 -3.789 19586 8011 1 12 . 1 1 84 84 GLU H H 84 8.153 8.153 7.759 0.394 19586 8012 1 12 . 1 1 85 85 ILE N N 85 120.970 120.970 120.715 0.255 19586 8013 1 12 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.817 -0.205 19586 8014 1 12 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.820 -1.381 19586 8015 1 12 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.349 -3.741 19586 8016 1 12 . 1 1 85 85 ILE H H 85 7.927 7.927 8.082 -0.155 19586 8017 1 12 . 1 1 86 86 ARG N N 86 121.766 121.766 118.858 2.908 19586 8018 1 12 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.138 -0.130 19586 8019 1 12 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.475 -1.960 19586 8020 1 12 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.257 -3.401 19586 8021 1 12 . 1 1 86 86 ARG H H 86 8.233 8.233 8.487 -0.254 19586 8022 1 12 . 1 1 87 87 GLU N N 87 118.369 118.369 117.395 0.974 19586 8023 1 12 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.236 -0.334 19586 8024 1 12 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.571 -0.965 19586 8025 1 12 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.413 -3.596 19586 8026 1 12 . 1 1 87 87 GLU H H 87 8.156 8.156 7.795 0.361 19586 8027 1 12 . 1 1 88 88 ALA N N 88 120.337 120.337 119.123 1.214 19586 8028 1 12 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.747 -0.798 19586 8029 1 12 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.580 -0.317 19586 8030 1 12 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.181 -5.101 19586 8031 1 12 . 1 1 88 88 ALA H H 88 7.877 7.877 7.540 0.337 19586 8032 1 12 . 1 1 89 89 PHE N N 89 118.191 118.191 120.990 -2.799 19586 8033 1 12 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.559 -1.444 19586 8034 1 12 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.828 -1.125 19586 8035 1 12 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.840 -3.066 19586 8036 1 12 . 1 1 89 89 PHE H H 89 8.459 8.459 8.044 0.415 19586 8037 1 12 . 1 1 90 90 ARG N N 90 115.953 115.953 118.006 -2.053 19586 8038 1 12 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.750 -0.845 19586 8039 1 12 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.307 -1.139 19586 8040 1 12 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.385 -1.731 19586 8041 1 12 . 1 1 90 90 ARG H H 90 7.764 7.764 7.937 -0.173 19586 8042 1 12 . 1 1 91 91 VAL N N 91 118.202 118.202 118.101 0.101 19586 8043 1 12 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.899 -0.614 19586 8044 1 12 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.237 -1.880 19586 8045 1 12 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.778 -3.334 19586 8046 1 12 . 1 1 91 91 VAL H H 91 7.229 7.229 7.528 -0.299 19586 8047 1 12 . 1 1 92 92 PHE N N 92 112.447 112.447 119.662 -7.215 19586 8048 1 12 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.305 -0.360 19586 8049 1 12 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.119 -1.090 19586 8050 1 12 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.899 -2.061 19586 8051 1 12 . 1 1 92 92 PHE H H 92 6.699 6.699 7.401 -0.702 19586 8052 1 12 . 1 1 93 93 ASP N N 93 116.461 116.461 118.698 -2.237 19586 8053 1 12 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.481 -0.005 19586 8054 1 12 . 1 1 93 93 ASP CA C 93 49.525 49.525 54.071 -4.546 19586 8055 1 12 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.930 -5.747 19586 8056 1 12 . 1 1 93 93 ASP H H 93 7.881 7.881 8.452 -0.571 19586 8057 1 12 . 1 1 94 94 LYS N N 94 125.494 125.494 122.891 2.603 19586 8058 1 12 . 1 1 94 94 LYS HA H 94 3.668 3.668 3.967 -0.299 19586 8059 1 12 . 1 1 94 94 LYS CA C 94 55.976 55.976 59.203 -3.227 19586 8060 1 12 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.579 -1.165 19586 8061 1 12 . 1 1 94 94 LYS H H 94 7.596 7.596 8.447 -0.851 19586 8062 1 12 . 1 1 95 95 ASP N N 95 114.015 114.015 117.036 -3.021 19586 8063 1 12 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.659 -0.244 19586 8064 1 12 . 1 1 95 95 ASP CA C 95 50.307 50.307 55.065 -4.758 19586 8065 1 12 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.742 -5.968 19586 8066 1 12 . 1 1 95 95 ASP H H 95 8.097 8.097 8.028 0.069 19586 8067 1 12 . 1 1 96 96 GLY N N 96 109.147 109.147 110.074 -0.927 19586 8068 1 12 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.279 -0.934 19586 8069 1 12 . 1 1 96 96 GLY H H 96 7.677 7.677 8.796 -1.119 19586 8070 1 12 . 1 1 97 97 ASN N N 97 119.575 119.575 119.417 0.158 19586 8071 1 12 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.987 -0.487 19586 8072 1 12 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.721 -2.805 19586 8073 1 12 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.765 -3.582 19586 8074 1 12 . 1 1 97 97 ASN H H 97 8.252 8.252 8.067 0.185 19586 8075 1 12 . 1 1 98 98 GLY N N 98 112.465 112.465 106.877 5.588 19586 8076 1 12 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.787 -3.495 19586 8077 1 12 . 1 1 98 98 GLY H H 98 10.462 10.462 8.675 1.787 19586 8078 1 12 . 1 1 99 99 TYR N N 99 116.256 116.256 118.019 -1.763 19586 8079 1 12 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.991 -0.109 19586 8080 1 12 . 1 1 99 99 TYR CA C 99 53.582 53.582 57.024 -3.442 19586 8081 1 12 . 1 1 99 99 TYR CB C 99 39.981 39.981 42.025 -2.044 19586 8082 1 12 . 1 1 99 99 TYR H H 99 7.557 7.557 7.721 -0.164 19586 8083 1 12 . 1 1 100 100 ILE N N 100 126.957 126.957 123.084 3.873 19586 8084 1 12 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.344 0.113 19586 8085 1 12 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.670 -2.054 19586 8086 1 12 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.076 -3.644 19586 8087 1 12 . 1 1 100 100 ILE H H 100 9.972 9.972 9.151 0.821 19586 8088 1 12 . 1 1 101 101 SER N N 101 123.739 123.739 124.221 -0.482 19586 8089 1 12 . 1 1 101 101 SER HA H 101 4.711 4.711 4.442 0.269 19586 8090 1 12 . 1 1 101 101 SER CA C 101 52.897 52.897 58.343 -5.446 19586 8091 1 12 . 1 1 101 101 SER CB C 101 64.134 64.134 64.500 -0.366 19586 8092 1 12 . 1 1 101 101 SER H H 101 8.844 8.844 8.452 0.392 19586 8093 1 12 . 1 1 102 102 ALA N N 102 123.028 123.028 126.618 -3.590 19586 8094 1 12 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.200 -0.489 19586 8095 1 12 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.825 -1.732 19586 8096 1 12 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.693 -3.579 19586 8097 1 12 . 1 1 102 102 ALA H H 102 9.178 9.178 8.652 0.526 19586 8098 1 12 . 1 1 103 103 ALA N N 103 118.443 118.443 119.908 -1.465 19586 8099 1 12 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.299 -0.438 19586 8100 1 12 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.129 -0.720 19586 8101 1 12 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.751 -2.295 19586 8102 1 12 . 1 1 103 103 ALA H H 103 8.132 8.132 8.474 -0.342 19586 8103 1 12 . 1 1 104 104 GLU N N 104 120.139 120.139 120.035 0.104 19586 8104 1 12 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.147 -0.308 19586 8105 1 12 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.903 -2.340 19586 8106 1 12 . 1 1 104 104 GLU CB C 104 26.400 26.400 28.717 -2.317 19586 8107 1 12 . 1 1 104 104 GLU H H 104 7.786 7.786 7.689 0.097 19586 8108 1 12 . 1 1 105 105 LEU N N 105 121.545 121.545 120.568 0.977 19586 8109 1 12 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.871 0.031 19586 8110 1 12 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.492 -1.760 19586 8111 1 12 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.510 -1.301 19586 8112 1 12 . 1 1 105 105 LEU H H 105 8.240 8.240 7.711 0.529 19586 8113 1 12 . 1 1 106 106 ARG N N 106 118.625 118.625 117.156 1.469 19586 8114 1 12 . 1 1 106 106 ARG HA H 106 3.839 3.839 4.009 -0.170 19586 8115 1 12 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.934 -1.589 19586 8116 1 12 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.582 0.808 19586 8117 1 12 . 1 1 106 106 ARG H H 106 8.761 8.761 8.149 0.612 19586 8118 1 12 . 1 1 107 107 HIS N N 107 119.052 119.052 118.404 0.648 19586 8119 1 12 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.339 -0.437 19586 8120 1 12 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.801 -2.994 19586 8121 1 12 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.187 -2.989 19586 8122 1 12 . 1 1 107 107 HIS H H 107 7.946 7.946 7.526 0.420 19586 8123 1 12 . 1 1 108 108 VAL N N 108 119.160 119.160 120.074 -0.914 19586 8124 1 12 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.770 -0.328 19586 8125 1 12 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.822 -1.536 19586 8126 1 12 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.619 -2.711 19586 8127 1 12 . 1 1 108 108 VAL H H 108 7.736 7.736 8.886 -1.150 19586 8128 1 12 . 1 1 109 109 MET N N 109 115.333 115.333 117.190 -1.857 19586 8129 1 12 . 1 1 109 109 MET HA H 109 4.139 4.139 4.194 -0.055 19586 8130 1 12 . 1 1 109 109 MET CA C 109 54.686 54.686 57.639 -2.953 19586 8131 1 12 . 1 1 109 109 MET CB C 109 29.706 29.706 31.052 -1.346 19586 8132 1 12 . 1 1 109 109 MET H H 109 8.074 8.074 8.232 -0.158 19586 8133 1 12 . 1 1 110 110 THR N N 110 116.714 116.714 113.917 2.797 19586 8134 1 12 . 1 1 110 110 THR HA H 110 3.935 3.935 4.112 -0.177 19586 8135 1 12 . 1 1 110 110 THR CA C 110 63.845 63.845 66.358 -2.513 19586 8136 1 12 . 1 1 110 110 THR CB C 110 66.072 66.072 68.423 -2.351 19586 8137 1 12 . 1 1 110 110 THR H H 110 8.515 8.515 7.629 0.886 19586 8138 1 12 . 1 1 111 111 ASN N N 111 123.784 123.784 118.668 5.116 19586 8139 1 12 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.576 -0.334 19586 8140 1 12 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.043 -1.950 19586 8141 1 12 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.150 -2.858 19586 8142 1 12 . 1 1 111 111 ASN H H 111 7.890 7.890 7.666 0.224 19586 8143 1 12 . 1 1 112 112 LEU N N 112 118.227 118.227 116.781 1.446 19586 8144 1 12 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.332 -0.217 19586 8145 1 12 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.199 -2.546 19586 8146 1 12 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.213 -1.475 19586 8147 1 12 . 1 1 112 112 LEU H H 112 7.621 7.621 7.305 0.316 19586 8148 1 12 . 1 1 113 113 GLY N N 113 106.787 106.787 105.472 1.315 19586 8149 1 12 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.969 -2.433 19586 8150 1 12 . 1 1 113 113 GLY H H 113 7.701 7.701 7.526 0.175 19586 8151 1 12 . 1 1 114 114 GLU N N 114 120.288 120.288 118.827 1.461 19586 8152 1 12 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.497 -0.255 19586 8153 1 12 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.724 -1.657 19586 8154 1 12 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.119 -3.503 19586 8155 1 12 . 1 1 114 114 GLU H H 114 7.864 7.864 7.729 0.135 19586 8156 1 12 . 1 1 115 115 LYS N N 115 124.987 124.987 125.671 -0.684 19586 8157 1 12 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.157 0.066 19586 8158 1 12 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.465 -3.617 19586 8159 1 12 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.230 -0.273 19586 8160 1 12 . 1 1 115 115 LYS H H 115 8.491 8.491 8.430 0.061 19586 8161 1 12 . 1 1 116 116 LEU N N 116 124.912 124.912 122.377 2.535 19586 8162 1 12 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.741 -0.029 19586 8163 1 12 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.080 -1.991 19586 8164 1 12 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.719 -1.131 19586 8165 1 12 . 1 1 116 116 LEU H H 116 7.978 7.978 7.713 0.265 19586 8166 1 12 . 1 1 117 117 THR N N 117 114.220 114.220 114.247 -0.027 19586 8167 1 12 . 1 1 117 117 THR HA H 117 4.302 4.302 4.268 0.034 19586 8168 1 12 . 1 1 117 117 THR CA C 117 57.834 57.834 60.620 -2.785 19586 8169 1 12 . 1 1 117 117 THR CB C 117 68.580 68.580 70.585 -2.005 19586 8170 1 12 . 1 1 117 117 THR H H 117 9.093 9.093 8.012 1.081 19586 8171 1 12 . 1 1 118 118 ASP N N 118 120.925 120.925 120.467 0.458 19586 8172 1 12 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.233 -0.175 19586 8173 1 12 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.067 -2.824 19586 8174 1 12 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.852 -3.850 19586 8175 1 12 . 1 1 118 118 ASP H H 118 8.764 8.764 8.607 0.157 19586 8176 1 12 . 1 1 119 119 GLU N N 119 119.395 119.395 117.756 1.639 19586 8177 1 12 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.944 -0.017 19586 8178 1 12 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.243 -2.095 19586 8179 1 12 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.884 -2.953 19586 8180 1 12 . 1 1 119 119 GLU H H 119 8.509 8.509 8.734 -0.225 19586 8181 1 12 . 1 1 120 120 GLU N N 120 119.909 119.909 118.991 0.918 19586 8182 1 12 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.153 -0.257 19586 8183 1 12 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.473 -2.154 19586 8184 1 12 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.996 -4.166 19586 8185 1 12 . 1 1 120 120 GLU H H 120 7.585 7.585 7.633 -0.048 19586 8186 1 12 . 1 1 121 121 VAL N N 121 122.092 122.092 117.683 4.409 19586 8187 1 12 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.786 -0.344 19586 8188 1 12 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.486 -1.396 19586 8189 1 12 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.189 -2.509 19586 8190 1 12 . 1 1 121 121 VAL H H 121 7.849 7.849 7.296 0.553 19586 8191 1 12 . 1 1 122 122 ASP N N 122 120.167 120.167 120.639 -0.472 19586 8192 1 12 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.299 -0.142 19586 8193 1 12 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.250 -3.349 19586 8194 1 12 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.858 -3.286 19586 8195 1 12 . 1 1 122 122 ASP H H 122 7.912 7.912 8.687 -0.775 19586 8196 1 12 . 1 1 123 123 GLU N N 123 119.087 119.087 118.511 0.576 19586 8197 1 12 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.116 -0.220 19586 8198 1 12 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.939 -2.327 19586 8199 1 12 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.554 -3.382 19586 8200 1 12 . 1 1 123 123 GLU H H 123 7.839 7.839 7.563 0.276 19586 8201 1 12 . 1 1 124 124 MET N N 124 118.897 118.897 117.337 1.560 19586 8202 1 12 . 1 1 124 124 MET HA H 124 3.867 3.867 4.347 -0.480 19586 8203 1 12 . 1 1 124 124 MET CA C 124 56.905 56.905 57.715 -0.810 19586 8204 1 12 . 1 1 124 124 MET CB C 124 29.250 29.250 32.684 -3.434 19586 8205 1 12 . 1 1 124 124 MET H H 124 7.433 7.433 7.474 -0.041 19586 8206 1 12 . 1 1 125 125 ILE N N 125 118.001 118.001 114.020 3.981 19586 8207 1 12 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.202 -0.822 19586 8208 1 12 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.108 -2.977 19586 8209 1 12 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.992 -4.752 19586 8210 1 12 . 1 1 125 125 ILE H H 125 7.658 7.658 8.281 -0.623 19586 8211 1 12 . 1 1 126 126 ARG N N 126 117.720 117.720 119.883 -2.163 19586 8212 1 12 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.093 -0.210 19586 8213 1 12 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.585 -2.912 19586 8214 1 12 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.264 -0.786 19586 8215 1 12 . 1 1 126 126 ARG H H 126 7.974 7.974 8.308 -0.334 19586 8216 1 12 . 1 1 127 127 GLU N N 127 117.050 117.050 117.390 -0.340 19586 8217 1 12 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.243 -0.276 19586 8218 1 12 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.241 -1.922 19586 8219 1 12 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.818 -3.532 19586 8220 1 12 . 1 1 127 127 GLU H H 127 7.635 7.635 7.609 0.026 19586 8221 1 12 . 1 1 128 128 ALA N N 128 116.966 116.966 120.375 -3.409 19586 8222 1 12 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.335 0.165 19586 8223 1 12 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.524 -4.319 19586 8224 1 12 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.575 0.530 19586 8225 1 12 . 1 1 128 128 ALA H H 128 7.155 7.155 7.649 -0.494 19586 8226 1 12 . 1 1 129 129 ASP N N 129 118.033 118.033 119.115 -1.082 19586 8227 1 12 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.919 -0.568 19586 8228 1 12 . 1 1 129 129 ASP CA C 129 51.822 51.822 52.973 -1.151 19586 8229 1 12 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.926 -4.240 19586 8230 1 12 . 1 1 129 129 ASP H H 129 7.806 7.806 7.893 -0.087 19586 8231 1 12 . 1 1 130 130 ILE N N 130 127.927 127.927 121.918 6.009 19586 8232 1 12 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.149 -0.352 19586 8233 1 12 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.737 -2.215 19586 8234 1 12 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.128 -2.038 19586 8235 1 12 . 1 1 130 130 ILE H H 130 8.115 8.115 8.590 -0.475 19586 8236 1 12 . 1 1 131 131 ASP N N 131 116.634 116.634 119.493 -2.859 19586 8237 1 12 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.733 -0.390 19586 8238 1 12 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.525 -2.338 19586 8239 1 12 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.456 -3.988 19586 8240 1 12 . 1 1 131 131 ASP H H 131 8.202 8.202 7.879 0.323 19586 8241 1 12 . 1 1 132 132 GLY N N 132 108.586 108.586 108.694 -0.108 19586 8242 1 12 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.884 -1.246 19586 8243 1 12 . 1 1 132 132 GLY H H 132 7.535 7.535 7.677 -0.142 19586 8244 1 12 . 1 1 133 133 ASP N N 133 120.377 120.377 120.304 0.073 19586 8245 1 12 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.595 -0.244 19586 8246 1 12 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.457 -3.515 19586 8247 1 12 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.362 -3.904 19586 8248 1 12 . 1 1 133 133 ASP H H 133 8.215 8.215 8.670 -0.455 19586 8249 1 12 . 1 1 134 134 GLY N N 134 112.226 112.226 107.547 4.679 19586 8250 1 12 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.323 -2.201 19586 8251 1 12 . 1 1 134 134 GLY H H 134 9.971 9.971 8.566 1.405 19586 8252 1 12 . 1 1 135 135 GLN N N 135 115.229 115.229 116.856 -1.627 19586 8253 1 12 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.903 -0.772 19586 8254 1 12 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.418 -3.964 19586 8255 1 12 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.179 -3.565 19586 8256 1 12 . 1 1 135 135 GLN H H 135 7.835 7.835 7.696 0.139 19586 8257 1 12 . 1 1 136 136 VAL N N 136 125.238 125.238 121.465 3.773 19586 8258 1 12 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.492 0.604 19586 8259 1 12 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.613 -1.900 19586 8260 1 12 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.650 -1.234 19586 8261 1 12 . 1 1 136 136 VAL H H 136 8.958 8.958 9.013 -0.055 19586 8262 1 12 . 1 1 137 137 ASN N N 137 129.058 129.058 126.532 2.526 19586 8263 1 12 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.780 0.446 19586 8264 1 12 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.843 -3.491 19586 8265 1 12 . 1 1 137 137 ASN CB C 137 35.640 35.640 38.890 -3.250 19586 8266 1 12 . 1 1 137 137 ASN H H 137 9.435 9.435 8.830 0.605 19586 8267 1 12 . 1 1 138 138 TYR N N 138 118.627 118.627 119.490 -0.863 19586 8268 1 12 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.226 -1.034 19586 8269 1 12 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.355 -1.687 19586 8270 1 12 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.220 -0.648 19586 8271 1 12 . 1 1 138 138 TYR H H 138 8.146 8.146 8.178 -0.032 19586 8272 1 12 . 1 1 139 139 GLU N N 139 118.701 118.701 117.277 1.424 19586 8273 1 12 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.087 -0.576 19586 8274 1 12 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.329 -1.789 19586 8275 1 12 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.163 -2.889 19586 8276 1 12 . 1 1 139 139 GLU H H 139 7.974 7.974 8.603 -0.629 19586 8277 1 12 . 1 1 140 140 GLU N N 140 119.774 119.774 119.102 0.672 19586 8278 1 12 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.155 -0.244 19586 8279 1 12 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.343 -2.318 19586 8280 1 12 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.791 -3.517 19586 8281 1 12 . 1 1 140 140 GLU H H 140 8.676 8.676 7.658 1.018 19586 8282 1 12 . 1 1 141 141 PHE N N 141 124.074 124.074 119.597 4.477 19586 8283 1 12 . 1 1 141 141 PHE HA H 141 3.647 3.647 3.974 -0.327 19586 8284 1 12 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.319 -0.872 19586 8285 1 12 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.812 -1.126 19586 8286 1 12 . 1 1 141 141 PHE H H 141 8.507 8.507 7.356 1.151 19586 8287 1 12 . 1 1 142 142 VAL N N 142 119.203 119.203 115.673 3.530 19586 8288 1 12 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.325 -0.367 19586 8289 1 12 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.694 -1.262 19586 8290 1 12 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.101 -2.192 19586 8291 1 12 . 1 1 142 142 VAL H H 142 8.639 8.639 7.241 1.398 19586 8292 1 12 . 1 1 143 143 GLN N N 143 120.173 120.173 120.170 0.003 19586 8293 1 12 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.959 -0.288 19586 8294 1 12 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.664 -2.150 19586 8295 1 12 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.068 -2.822 19586 8296 1 12 . 1 1 143 143 GLN H H 143 7.818 7.818 7.937 -0.119 19586 8297 1 12 . 1 1 144 144 MET N N 144 118.573 118.573 115.625 2.948 19586 8298 1 12 . 1 1 144 144 MET HA H 144 3.882 3.882 4.229 -0.347 19586 8299 1 12 . 1 1 144 144 MET CA C 144 55.683 55.683 56.451 -0.768 19586 8300 1 12 . 1 1 144 144 MET CB C 144 28.110 28.110 32.312 -4.202 19586 8301 1 12 . 1 1 144 144 MET H H 144 7.403 7.403 7.300 0.103 19586 8302 1 12 . 1 1 145 145 MET N N 145 114.053 114.053 118.272 -4.219 19586 8303 1 12 . 1 1 145 145 MET HA H 145 3.940 3.940 4.271 -0.331 19586 8304 1 12 . 1 1 145 145 MET CA C 145 53.630 53.630 56.448 -2.818 19586 8305 1 12 . 1 1 145 145 MET CB C 145 29.592 29.592 31.887 -2.295 19586 8306 1 12 . 1 1 145 145 MET H H 145 7.534 7.534 7.411 0.123 19586 8307 1 12 . 1 1 146 146 THR N N 146 109.275 109.275 114.452 -5.177 19586 8308 1 12 . 1 1 146 146 THR HA H 146 4.175 4.175 4.133 0.042 19586 8309 1 12 . 1 1 146 146 THR CA C 146 59.251 59.251 64.251 -5.000 19586 8310 1 12 . 1 1 146 146 THR CB C 146 67.896 67.896 69.130 -1.234 19586 8311 1 12 . 1 1 146 146 THR H H 146 7.554 7.554 7.727 -0.173 19586 8312 1 12 . 1 1 147 147 ALA N N 147 126.913 126.913 122.587 4.326 19586 8313 1 12 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.479 -0.362 19586 8314 1 12 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.609 -0.302 19586 8315 1 12 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.864 -3.528 19586 8316 1 12 . 1 1 147 147 ALA H H 147 7.406 7.406 7.318 0.088 19586 8317 1 13 . 1 1 2 2 ASP N N 2 120.378 120.378 120.627 -0.249 19586 8318 1 13 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.761 -0.176 19586 8319 1 13 . 1 1 2 2 ASP CA C 2 51.960 51.960 53.696 -1.736 19586 8320 1 13 . 1 1 2 2 ASP H H 2 8.506 8.506 8.301 0.205 19586 8321 1 13 . 1 1 3 3 GLN N N 3 119.707 119.707 120.152 -0.445 19586 8322 1 13 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.581 -0.369 19586 8323 1 13 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.388 -2.653 19586 8324 1 13 . 1 1 3 3 GLN CB C 3 31.074 31.074 30.372 0.702 19586 8325 1 13 . 1 1 3 3 GLN H H 3 8.208 8.208 8.426 -0.218 19586 8326 1 13 . 1 1 4 4 LEU N N 4 123.069 123.069 122.592 0.477 19586 8327 1 13 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.553 -0.413 19586 8328 1 13 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.300 -3.642 19586 8329 1 13 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.918 -3.294 19586 8330 1 13 . 1 1 4 4 LEU H H 4 8.181 8.181 8.603 -0.422 19586 8331 1 13 . 1 1 5 5 THR N N 5 112.909 112.909 111.940 0.969 19586 8332 1 13 . 1 1 5 5 THR HA H 5 4.322 4.322 4.621 -0.299 19586 8333 1 13 . 1 1 5 5 THR CA C 5 57.687 57.687 61.048 -3.361 19586 8334 1 13 . 1 1 5 5 THR CB C 5 68.580 68.580 70.469 -1.889 19586 8335 1 13 . 1 1 5 5 THR H H 5 8.607 8.607 7.659 0.948 19586 8336 1 13 . 1 1 6 6 GLU N N 6 120.224 120.224 125.037 -4.813 19586 8337 1 13 . 1 1 6 6 GLU HA H 6 3.825 3.825 3.946 -0.121 19586 8338 1 13 . 1 1 6 6 GLU CA C 6 57.247 57.247 58.727 -1.480 19586 8339 1 13 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.358 -0.223 19586 8340 1 13 . 1 1 6 6 GLU H H 6 8.877 8.877 9.029 -0.152 19586 8341 1 13 . 1 1 7 7 GLU N N 7 119.350 119.350 119.749 -0.399 19586 8342 1 13 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.137 -0.220 19586 8343 1 13 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.862 -1.664 19586 8344 1 13 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.438 -3.164 19586 8345 1 13 . 1 1 7 7 GLU H H 7 8.524 8.524 8.496 0.028 19586 8346 1 13 . 1 1 8 8 GLN N N 8 119.917 119.917 114.784 5.133 19586 8347 1 13 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.272 -0.369 19586 8348 1 13 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.688 -1.712 19586 8349 1 13 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.085 -2.685 19586 8350 1 13 . 1 1 8 8 GLN H H 8 7.603 7.603 7.731 -0.128 19586 8351 1 13 . 1 1 9 9 ILE N N 9 119.503 119.503 116.539 2.964 19586 8352 1 13 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.187 -0.548 19586 8353 1 13 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.907 1.889 19586 8354 1 13 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.762 -3.584 19586 8355 1 13 . 1 1 9 9 ILE H H 9 8.260 8.260 7.576 0.684 19586 8356 1 13 . 1 1 10 10 ALA N N 10 121.044 121.044 122.417 -1.373 19586 8357 1 13 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.246 -0.285 19586 8358 1 13 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.790 -2.088 19586 8359 1 13 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.720 -3.606 19586 8360 1 13 . 1 1 10 10 ALA H H 10 7.840 7.840 7.685 0.155 19586 8361 1 13 . 1 1 11 11 GLU N N 11 119.113 119.113 118.738 0.375 19586 8362 1 13 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.196 -0.288 19586 8363 1 13 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.176 -0.613 19586 8364 1 13 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.555 -3.155 19586 8365 1 13 . 1 1 11 11 GLU H H 11 7.635 7.635 8.344 -0.709 19586 8366 1 13 . 1 1 12 12 PHE N N 12 119.574 119.574 120.274 -0.700 19586 8367 1 13 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.252 0.534 19586 8368 1 13 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.732 -4.778 19586 8369 1 13 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.561 -4.497 19586 8370 1 13 . 1 1 12 12 PHE H H 12 8.441 8.441 7.622 0.819 19586 8371 1 13 . 1 1 13 13 LYS N N 13 123.454 123.454 119.310 4.144 19586 8372 1 13 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.331 -0.428 19586 8373 1 13 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.321 -1.025 19586 8374 1 13 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.104 -2.512 19586 8375 1 13 . 1 1 13 13 LYS H H 13 9.103 9.103 7.660 1.443 19586 8376 1 13 . 1 1 14 14 GLU N N 14 119.525 119.525 116.729 2.796 19586 8377 1 13 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.460 -0.549 19586 8378 1 13 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.850 -1.385 19586 8379 1 13 . 1 1 14 14 GLU CB C 14 26.502 26.502 29.899 -3.397 19586 8380 1 13 . 1 1 14 14 GLU H H 14 7.667 7.667 7.897 -0.230 19586 8381 1 13 . 1 1 15 15 ALA N N 15 121.983 121.983 122.407 -0.424 19586 8382 1 13 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.237 -0.276 19586 8383 1 13 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.228 -1.477 19586 8384 1 13 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.714 -3.486 19586 8385 1 13 . 1 1 15 15 ALA H H 15 7.816 7.816 7.856 -0.040 19586 8386 1 13 . 1 1 16 16 PHE N N 16 118.874 118.874 120.087 -1.213 19586 8387 1 13 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.158 -1.063 19586 8388 1 13 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.434 -0.890 19586 8389 1 13 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.219 -2.445 19586 8390 1 13 . 1 1 16 16 PHE H H 16 8.764 8.764 7.940 0.824 19586 8391 1 13 . 1 1 17 17 SER N N 17 111.578 111.578 112.988 -1.410 19586 8392 1 13 . 1 1 17 17 SER HA H 17 3.979 3.979 4.271 -0.292 19586 8393 1 13 . 1 1 17 17 SER CA C 17 58.567 58.567 59.518 -0.951 19586 8394 1 13 . 1 1 17 17 SER CB C 17 60.600 60.600 62.690 -2.090 19586 8395 1 13 . 1 1 17 17 SER H H 17 7.825 7.825 8.440 -0.615 19586 8396 1 13 . 1 1 18 18 LEU N N 18 121.167 121.167 120.667 0.500 19586 8397 1 13 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.975 -0.028 19586 8398 1 13 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.127 -2.519 19586 8399 1 13 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.169 -2.531 19586 8400 1 13 . 1 1 18 18 LEU H H 18 7.240 7.240 7.308 -0.068 19586 8401 1 13 . 1 1 19 19 PHE N N 19 114.405 114.405 113.609 0.796 19586 8402 1 13 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.388 -0.477 19586 8403 1 13 . 1 1 19 19 PHE CA C 19 57.247 57.247 58.931 -1.685 19586 8404 1 13 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.829 -6.019 19586 8405 1 13 . 1 1 19 19 PHE H H 19 7.090 7.090 7.362 -0.272 19586 8406 1 13 . 1 1 20 20 ASP N N 20 115.823 115.823 120.455 -4.632 19586 8407 1 13 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.496 -0.020 19586 8408 1 13 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.965 -5.489 19586 8409 1 13 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.156 -2.374 19586 8410 1 13 . 1 1 20 20 ASP H H 20 7.662 7.662 7.745 -0.083 19586 8411 1 13 . 1 1 21 21 LYS N N 21 124.906 124.906 122.567 2.339 19586 8412 1 13 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.133 -0.347 19586 8413 1 13 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.916 -1.891 19586 8414 1 13 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.297 -2.597 19586 8415 1 13 . 1 1 21 21 LYS H H 21 7.539 7.539 8.057 -0.518 19586 8416 1 13 . 1 1 22 22 ASP N N 22 113.550 113.550 118.587 -5.037 19586 8417 1 13 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.644 -0.213 19586 8418 1 13 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.330 -5.365 19586 8419 1 13 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.260 -4.486 19586 8420 1 13 . 1 1 22 22 ASP H H 22 7.965 7.965 7.813 0.152 19586 8421 1 13 . 1 1 23 23 GLY N N 23 109.354 109.354 107.203 2.151 19586 8422 1 13 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.949 -1.507 19586 8423 1 13 . 1 1 23 23 GLY H H 23 7.606 7.606 8.617 -1.010 19586 8424 1 13 . 1 1 24 24 ASP N N 24 120.643 120.643 121.038 -0.395 19586 8425 1 13 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.750 -0.395 19586 8426 1 13 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.374 -2.334 19586 8427 1 13 . 1 1 24 24 ASP CB C 24 37.686 37.686 40.883 -3.197 19586 8428 1 13 . 1 1 24 24 ASP H H 24 8.266 8.266 8.492 -0.226 19586 8429 1 13 . 1 1 25 25 GLY N N 25 113.205 113.205 106.341 6.864 19586 8430 1 13 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.260 -2.577 19586 8431 1 13 . 1 1 25 25 GLY H H 25 10.545 10.545 8.096 2.449 19586 8432 1 13 . 1 1 26 26 THR N N 26 112.852 112.852 109.271 3.581 19586 8433 1 13 . 1 1 26 26 THR HA H 26 5.170 5.170 5.875 -0.705 19586 8434 1 13 . 1 1 26 26 THR CA C 26 56.954 56.954 59.457 -2.503 19586 8435 1 13 . 1 1 26 26 THR CB C 26 69.948 69.948 72.097 -2.149 19586 8436 1 13 . 1 1 26 26 THR H H 26 8.020 8.020 7.524 0.496 19586 8437 1 13 . 1 1 27 27 ILE N N 27 127.005 127.005 121.285 5.720 19586 8438 1 13 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.439 -0.612 19586 8439 1 13 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.692 -1.761 19586 8440 1 13 . 1 1 27 27 ILE CB C 27 37.230 37.230 39.471 -2.241 19586 8441 1 13 . 1 1 27 27 ILE H H 27 9.689 9.689 8.117 1.572 19586 8442 1 13 . 1 1 28 28 THR N N 28 116.439 116.439 118.083 -1.644 19586 8443 1 13 . 1 1 28 28 THR HA H 28 4.642 4.642 4.405 0.237 19586 8444 1 13 . 1 1 28 28 THR CA C 28 56.612 56.612 62.564 -5.952 19586 8445 1 13 . 1 1 28 28 THR CB C 28 69.606 69.606 69.433 0.173 19586 8446 1 13 . 1 1 28 28 THR H H 28 8.275 8.275 8.785 -0.510 19586 8447 1 13 . 1 1 29 29 THR N N 29 113.287 113.287 119.302 -6.015 19586 8448 1 13 . 1 1 29 29 THR HA H 29 3.635 3.635 4.205 -0.570 19586 8449 1 13 . 1 1 29 29 THR CA C 29 63.845 63.845 62.849 0.996 19586 8450 1 13 . 1 1 29 29 THR CB C 29 65.616 65.616 68.912 -3.296 19586 8451 1 13 . 1 1 29 29 THR H H 29 9.054 9.054 8.607 0.447 19586 8452 1 13 . 1 1 30 30 LYS N N 30 121.230 121.230 120.426 0.804 19586 8453 1 13 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.277 -0.374 19586 8454 1 13 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.164 -1.699 19586 8455 1 13 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.580 -2.880 19586 8456 1 13 . 1 1 30 30 LYS H H 30 7.578 7.578 7.852 -0.274 19586 8457 1 13 . 1 1 31 31 GLU N N 31 122.002 122.002 118.423 3.579 19586 8458 1 13 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.207 -0.344 19586 8459 1 13 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.337 -0.188 19586 8460 1 13 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.586 -2.528 19586 8461 1 13 . 1 1 31 31 GLU H H 31 7.712 7.712 8.585 -0.873 19586 8462 1 13 . 1 1 32 32 LEU N N 32 119.130 119.130 117.422 1.708 19586 8463 1 13 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.068 -0.143 19586 8464 1 13 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.505 -0.976 19586 8465 1 13 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.065 -0.084 19586 8466 1 13 . 1 1 32 32 LEU H H 32 8.509 8.509 7.538 0.971 19586 8467 1 13 . 1 1 33 33 GLY N N 33 103.747 103.747 103.808 -0.061 19586 8468 1 13 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.702 -0.038 19586 8469 1 13 . 1 1 33 33 GLY H H 33 8.388 8.388 8.233 0.155 19586 8470 1 13 . 1 1 34 34 THR N N 34 117.487 117.487 117.022 0.465 19586 8471 1 13 . 1 1 34 34 THR HA H 34 3.795 3.795 4.334 -0.539 19586 8472 1 13 . 1 1 34 34 THR CA C 34 64.285 64.285 66.007 -1.722 19586 8473 1 13 . 1 1 34 34 THR CB C 34 66.186 66.186 69.069 -2.883 19586 8474 1 13 . 1 1 34 34 THR H H 34 7.935 7.935 7.625 0.310 19586 8475 1 13 . 1 1 35 35 VAL N N 35 120.287 120.287 119.111 1.176 19586 8476 1 13 . 1 1 35 35 VAL H H 35 7.089 7.089 7.119 -0.030 19586 8477 1 13 . 1 1 36 36 MET N N 36 117.816 117.816 117.765 0.051 19586 8478 1 13 . 1 1 36 36 MET HA H 36 3.911 3.911 4.231 -0.320 19586 8479 1 13 . 1 1 36 36 MET CA C 36 57.101 57.101 58.436 -1.335 19586 8480 1 13 . 1 1 36 36 MET CB C 36 29.929 29.929 32.476 -2.547 19586 8481 1 13 . 1 1 36 36 MET H H 36 8.318 8.318 8.067 0.251 19586 8482 1 13 . 1 1 37 37 ARG N N 37 117.706 117.706 118.498 -0.792 19586 8483 1 13 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.193 0.505 19586 8484 1 13 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.150 -1.978 19586 8485 1 13 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.813 -2.729 19586 8486 1 13 . 1 1 37 37 ARG H H 37 8.233 8.233 7.820 0.413 19586 8487 1 13 . 1 1 38 38 SER N N 38 118.974 118.974 114.364 4.610 19586 8488 1 13 . 1 1 38 38 SER HA H 38 4.187 4.187 4.456 -0.269 19586 8489 1 13 . 1 1 38 38 SER CA C 38 59.251 59.251 60.196 -0.945 19586 8490 1 13 . 1 1 38 38 SER CB C 38 67.782 67.782 64.227 3.555 19586 8491 1 13 . 1 1 38 38 SER H H 38 7.874 7.874 7.600 0.274 19586 8492 1 13 . 1 1 39 39 LEU N N 39 118.835 118.835 121.767 -2.932 19586 8493 1 13 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.427 -0.288 19586 8494 1 13 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.314 -3.981 19586 8495 1 13 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.072 -2.434 19586 8496 1 13 . 1 1 39 39 LEU H H 39 7.248 7.248 7.853 -0.605 19586 8497 1 13 . 1 1 40 40 GLY N N 40 104.990 104.990 106.346 -1.356 19586 8498 1 13 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.487 -2.609 19586 8499 1 13 . 1 1 40 40 GLY H H 40 7.471 7.471 7.861 -0.390 19586 8500 1 13 . 1 1 41 41 GLN N N 41 118.032 118.032 118.532 -0.500 19586 8501 1 13 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.555 -0.185 19586 8502 1 13 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.425 -3.238 19586 8503 1 13 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.743 -1.125 19586 8504 1 13 . 1 1 41 41 GLN H H 41 7.860 7.860 8.083 -0.223 19586 8505 1 13 . 1 1 42 42 ASN N N 42 115.671 115.671 117.331 -1.660 19586 8506 1 13 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.149 -0.055 19586 8507 1 13 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.733 -2.039 19586 8508 1 13 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.025 -3.471 19586 8509 1 13 . 1 1 42 42 ASN H H 42 8.561 8.561 8.399 0.162 19586 8510 1 13 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.716 -0.005 19586 8511 1 13 . 1 1 44 44 THR N N 44 113.509 113.509 119.665 -6.156 19586 8512 1 13 . 1 1 44 44 THR HA H 44 4.321 4.321 4.439 -0.118 19586 8513 1 13 . 1 1 44 44 THR CA C 44 57.638 57.638 60.615 -2.977 19586 8514 1 13 . 1 1 44 44 THR CB C 44 68.466 68.466 68.029 0.437 19586 8515 1 13 . 1 1 44 44 THR H H 44 8.882 8.882 8.562 0.320 19586 8516 1 13 . 1 1 45 45 GLU N N 45 120.506 120.506 127.885 -7.379 19586 8517 1 13 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.845 0.035 19586 8518 1 13 . 1 1 45 45 GLU CA C 45 57.101 57.101 60.238 -3.137 19586 8519 1 13 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.650 -3.376 19586 8520 1 13 . 1 1 45 45 GLU H H 45 8.662 8.662 8.179 0.483 19586 8521 1 13 . 1 1 46 46 ALA N N 46 120.586 120.586 119.519 1.067 19586 8522 1 13 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.206 -0.281 19586 8523 1 13 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.378 -2.067 19586 8524 1 13 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.366 -3.286 19586 8525 1 13 . 1 1 46 46 ALA H H 46 8.139 8.139 8.425 -0.286 19586 8526 1 13 . 1 1 47 47 GLU N N 47 118.171 118.171 118.545 -0.374 19586 8527 1 13 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.064 -0.188 19586 8528 1 13 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.769 -2.499 19586 8529 1 13 . 1 1 47 47 GLU CB C 47 26.286 26.286 30.003 -3.717 19586 8530 1 13 . 1 1 47 47 GLU H H 47 7.597 7.597 7.415 0.182 19586 8531 1 13 . 1 1 48 48 LEU N N 48 120.228 120.228 115.773 4.455 19586 8532 1 13 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.087 -0.160 19586 8533 1 13 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.693 -2.644 19586 8534 1 13 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.308 -0.327 19586 8535 1 13 . 1 1 48 48 LEU H H 48 7.848 7.848 7.469 0.379 19586 8536 1 13 . 1 1 49 49 GLN N N 49 117.910 117.910 117.570 0.340 19586 8537 1 13 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.077 -0.176 19586 8538 1 13 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.809 -3.077 19586 8539 1 13 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.521 -0.639 19586 8540 1 13 . 1 1 49 49 GLN H H 49 8.037 8.037 7.806 0.231 19586 8541 1 13 . 1 1 50 50 ASP N N 50 119.284 119.284 117.888 1.396 19586 8542 1 13 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.439 -0.282 19586 8543 1 13 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.661 -1.955 19586 8544 1 13 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.942 -3.370 19586 8545 1 13 . 1 1 50 50 ASP H H 50 8.010 8.010 7.815 0.195 19586 8546 1 13 . 1 1 51 51 MET N N 51 119.245 119.245 117.219 2.026 19586 8547 1 13 . 1 1 51 51 MET HA H 51 3.923 3.923 4.514 -0.591 19586 8548 1 13 . 1 1 51 51 MET CA C 51 56.563 56.563 56.490 0.073 19586 8549 1 13 . 1 1 51 51 MET CB C 51 29.478 29.478 33.927 -4.449 19586 8550 1 13 . 1 1 51 51 MET H H 51 7.614 7.614 7.272 0.342 19586 8551 1 13 . 1 1 52 52 ILE N N 52 117.584 117.584 120.956 -3.372 19586 8552 1 13 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.643 -0.315 19586 8553 1 13 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.325 -3.435 19586 8554 1 13 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.677 -3.183 19586 8555 1 13 . 1 1 52 52 ILE H H 52 7.514 7.514 8.885 -1.371 19586 8556 1 13 . 1 1 53 53 ASN N N 53 117.126 117.126 116.575 0.551 19586 8557 1 13 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.629 -0.407 19586 8558 1 13 . 1 1 53 53 ASN CA C 53 53.093 53.093 55.681 -2.588 19586 8559 1 13 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.493 -3.201 19586 8560 1 13 . 1 1 53 53 ASN H H 53 8.418 8.418 7.724 0.694 19586 8561 1 13 . 1 1 54 54 GLU N N 54 116.380 116.380 117.391 -1.011 19586 8562 1 13 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.216 -0.313 19586 8563 1 13 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.318 -2.195 19586 8564 1 13 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.387 -3.987 19586 8565 1 13 . 1 1 54 54 GLU H H 54 7.466 7.466 8.199 -0.733 19586 8566 1 13 . 1 1 55 55 VAL N N 55 108.622 108.622 111.131 -2.509 19586 8567 1 13 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.222 0.092 19586 8568 1 13 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.785 -3.609 19586 8569 1 13 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.811 -1.649 19586 8570 1 13 . 1 1 55 55 VAL H H 55 7.044 7.044 7.772 -0.728 19586 8571 1 13 . 1 1 56 56 ASP N N 56 121.430 121.430 120.077 1.353 19586 8572 1 13 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.656 -0.266 19586 8573 1 13 . 1 1 56 56 ASP CA C 56 50.991 50.991 51.711 -0.720 19586 8574 1 13 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.308 -1.412 19586 8575 1 13 . 1 1 56 56 ASP H H 56 7.561 7.561 7.882 -0.321 19586 8576 1 13 . 1 1 57 57 ALA N N 57 131.840 131.840 123.868 7.972 19586 8577 1 13 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.094 -0.041 19586 8578 1 13 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.753 -3.273 19586 8579 1 13 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.003 -2.210 19586 8580 1 13 . 1 1 57 57 ALA H H 57 8.357 8.357 7.589 0.768 19586 8581 1 13 . 1 1 58 58 ASP N N 58 113.565 113.565 116.540 -2.975 19586 8582 1 13 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.707 -0.217 19586 8583 1 13 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.803 -2.887 19586 8584 1 13 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.131 -4.357 19586 8585 1 13 . 1 1 58 58 ASP H H 58 7.985 7.985 8.210 -0.225 19586 8586 1 13 . 1 1 59 59 GLY N N 59 108.187 108.187 108.702 -0.515 19586 8587 1 13 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.340 -1.849 19586 8588 1 13 . 1 1 59 59 GLY H H 59 7.424 7.424 7.890 -0.466 19586 8589 1 13 . 1 1 60 60 ASN N N 60 118.065 118.065 120.619 -2.554 19586 8590 1 13 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.737 -0.291 19586 8591 1 13 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.264 -3.494 19586 8592 1 13 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.080 -2.526 19586 8593 1 13 . 1 1 60 60 ASN H H 60 7.919 7.919 8.452 -0.533 19586 8594 1 13 . 1 1 61 61 GLY N N 61 113.247 113.247 107.067 6.180 19586 8595 1 13 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.256 -3.378 19586 8596 1 13 . 1 1 61 61 GLY H H 61 10.485 10.485 8.554 1.931 19586 8597 1 13 . 1 1 62 62 THR N N 62 108.699 108.699 111.111 -2.412 19586 8598 1 13 . 1 1 62 62 THR HA H 62 4.580 4.580 4.425 0.155 19586 8599 1 13 . 1 1 62 62 THR CA C 62 56.661 56.661 60.446 -3.785 19586 8600 1 13 . 1 1 62 62 THR H H 62 7.511 7.511 7.322 0.189 19586 8601 1 13 . 1 1 63 63 ILE N N 63 122.834 122.834 120.547 2.287 19586 8602 1 13 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.399 0.655 19586 8603 1 13 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.513 -2.412 19586 8604 1 13 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.308 -3.964 19586 8605 1 13 . 1 1 63 63 ILE H H 63 8.741 8.741 8.189 0.552 19586 8606 1 13 . 1 1 64 64 ASP N N 64 127.818 127.818 127.091 0.727 19586 8607 1 13 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.188 0.050 19586 8608 1 13 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.943 -3.565 19586 8609 1 13 . 1 1 64 64 ASP CB C 64 36.782 36.782 42.821 -6.039 19586 8610 1 13 . 1 1 64 64 ASP H H 64 8.702 8.702 8.497 0.205 19586 8611 1 13 . 1 1 65 65 PHE N N 65 118.653 118.653 121.382 -2.729 19586 8612 1 13 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.470 -0.609 19586 8613 1 13 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.592 -2.875 19586 8614 1 13 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.008 -3.882 19586 8615 1 13 . 1 1 65 65 PHE H H 65 8.847 8.847 8.977 -0.130 19586 8616 1 13 . 1 1 67 67 GLU N N 67 117.631 117.631 116.182 1.449 19586 8617 1 13 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.324 -0.421 19586 8618 1 13 . 1 1 67 67 GLU CA C 67 56.337 56.337 56.497 -0.160 19586 8619 1 13 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.144 -2.099 19586 8620 1 13 . 1 1 67 67 GLU H H 67 7.940 7.940 8.817 -0.877 19586 8621 1 13 . 1 1 68 68 PHE N N 68 123.289 123.289 121.424 1.865 19586 8622 1 13 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.283 -0.443 19586 8623 1 13 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.442 -2.715 19586 8624 1 13 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.491 -1.919 19586 8625 1 13 . 1 1 68 68 PHE H H 68 8.757 8.757 7.633 1.124 19586 8626 1 13 . 1 1 69 69 LEU N N 69 118.867 118.867 117.545 1.322 19586 8627 1 13 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.204 -0.959 19586 8628 1 13 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.560 -2.402 19586 8629 1 13 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.732 -3.476 19586 8630 1 13 . 1 1 69 69 LEU H H 69 8.403 8.403 7.916 0.487 19586 8631 1 13 . 1 1 70 70 THR N N 70 116.302 116.302 112.029 4.273 19586 8632 1 13 . 1 1 70 70 THR HA H 70 3.624 3.624 3.981 -0.357 19586 8633 1 13 . 1 1 70 70 THR CA C 70 63.843 63.843 65.665 -1.822 19586 8634 1 13 . 1 1 70 70 THR CB C 70 65.502 65.502 68.415 -2.913 19586 8635 1 13 . 1 1 70 70 THR H H 70 7.540 7.540 8.171 -0.631 19586 8636 1 13 . 1 1 71 71 MET N N 71 121.710 121.710 120.673 1.037 19586 8637 1 13 . 1 1 71 71 MET HA H 71 3.903 3.903 4.082 -0.179 19586 8638 1 13 . 1 1 71 71 MET CA C 71 56.303 56.303 59.248 -2.945 19586 8639 1 13 . 1 1 71 71 MET CB C 71 29.706 29.706 32.271 -2.565 19586 8640 1 13 . 1 1 71 71 MET H H 71 7.723 7.723 7.389 0.334 19586 8641 1 13 . 1 1 72 72 MET N N 72 116.535 116.535 117.998 -1.463 19586 8642 1 13 . 1 1 72 72 MET HA H 72 3.773 3.773 4.317 -0.544 19586 8643 1 13 . 1 1 72 72 MET CA C 72 53.307 53.307 56.291 -2.984 19586 8644 1 13 . 1 1 72 72 MET CB C 72 28.787 28.787 32.159 -3.372 19586 8645 1 13 . 1 1 72 72 MET H H 72 7.982 7.982 7.832 0.150 19586 8646 1 13 . 1 1 73 73 ALA N N 73 121.584 121.584 122.982 -1.398 19586 8647 1 13 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.026 -0.146 19586 8648 1 13 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.910 -2.815 19586 8649 1 13 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.241 -2.899 19586 8650 1 13 . 1 1 73 73 ALA H H 73 8.074 8.074 7.607 0.467 19586 8651 1 13 . 1 1 74 74 ARG N N 74 115.784 115.784 117.301 -1.517 19586 8652 1 13 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.106 -0.203 19586 8653 1 13 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.519 -2.788 19586 8654 1 13 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.277 -2.290 19586 8655 1 13 . 1 1 74 74 ARG H H 74 7.358 7.358 7.668 -0.310 19586 8656 1 13 . 1 1 75 75 LYS N N 75 117.245 117.245 117.736 -0.491 19586 8657 1 13 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.253 -0.304 19586 8658 1 13 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.952 -4.005 19586 8659 1 13 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.662 -6.262 19586 8660 1 13 . 1 1 75 75 LYS H H 75 7.640 7.640 7.886 -0.246 19586 8661 1 13 . 1 1 76 76 MET N N 76 117.971 117.971 120.198 -2.227 19586 8662 1 13 . 1 1 76 76 MET HA H 76 4.242 4.242 4.447 -0.205 19586 8663 1 13 . 1 1 76 76 MET CA C 76 53.947 53.947 55.022 -1.075 19586 8664 1 13 . 1 1 76 76 MET CB C 76 29.478 29.478 31.390 -1.912 19586 8665 1 13 . 1 1 76 76 MET H H 76 7.794 7.794 7.929 -0.135 19586 8666 1 13 . 1 1 77 77 LYS N N 77 119.902 119.902 122.659 -2.757 19586 8667 1 13 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.393 -0.241 19586 8668 1 13 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.768 -1.485 19586 8669 1 13 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.237 -0.759 19586 8670 1 13 . 1 1 77 77 LYS H H 77 7.622 7.622 7.580 0.042 19586 8671 1 13 . 1 1 78 78 ASP N N 78 119.146 119.146 119.569 -0.423 19586 8672 1 13 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.376 -0.133 19586 8673 1 13 . 1 1 78 78 ASP CA C 78 52.061 52.061 55.015 -2.954 19586 8674 1 13 . 1 1 78 78 ASP H H 78 7.991 7.991 8.053 -0.062 19586 8675 1 13 . 1 1 79 79 THR N N 79 112.750 112.750 110.660 2.090 19586 8676 1 13 . 1 1 79 79 THR HA H 79 4.170 4.170 4.377 -0.207 19586 8677 1 13 . 1 1 79 79 THR CA C 79 59.030 59.030 61.479 -2.449 19586 8678 1 13 . 1 1 79 79 THR CB C 79 67.668 67.668 70.151 -2.483 19586 8679 1 13 . 1 1 79 79 THR H H 79 7.587 7.587 7.823 -0.236 19586 8680 1 13 . 1 1 80 80 ASP N N 80 122.888 122.888 121.250 1.638 19586 8681 1 13 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.713 -0.342 19586 8682 1 13 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.707 -3.857 19586 8683 1 13 . 1 1 80 80 ASP CB C 80 37.353 37.353 41.731 -4.378 19586 8684 1 13 . 1 1 80 80 ASP H H 80 8.354 8.354 8.660 -0.306 19586 8685 1 13 . 1 1 81 81 SER N N 81 117.571 117.571 114.968 2.603 19586 8686 1 13 . 1 1 81 81 SER HA H 81 4.115 4.115 4.265 -0.150 19586 8687 1 13 . 1 1 81 81 SER CA C 81 57.717 57.717 60.953 -3.236 19586 8688 1 13 . 1 1 81 81 SER CB C 81 60.884 60.884 63.484 -2.600 19586 8689 1 13 . 1 1 81 81 SER H H 81 8.232 8.232 8.459 -0.227 19586 8690 1 13 . 1 1 82 82 GLU N N 82 121.860 121.860 121.499 0.361 19586 8691 1 13 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.080 -0.197 19586 8692 1 13 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.915 -3.208 19586 8693 1 13 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.039 0.553 19586 8694 1 13 . 1 1 82 82 GLU H H 82 8.364 8.364 8.783 -0.419 19586 8695 1 13 . 1 1 83 83 GLU N N 83 119.398 119.398 117.243 2.155 19586 8696 1 13 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.118 -0.235 19586 8697 1 13 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.243 -2.637 19586 8698 1 13 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.315 0.049 19586 8699 1 13 . 1 1 83 83 GLU H H 83 8.032 8.032 8.898 -0.866 19586 8700 1 13 . 1 1 84 84 GLU N N 84 118.279 118.279 119.034 -0.755 19586 8701 1 13 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.430 -0.559 19586 8702 1 13 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.191 -1.585 19586 8703 1 13 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.670 -3.853 19586 8704 1 13 . 1 1 84 84 GLU H H 84 8.153 8.153 7.674 0.479 19586 8705 1 13 . 1 1 85 85 ILE N N 85 120.970 120.970 120.778 0.192 19586 8706 1 13 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.917 -0.305 19586 8707 1 13 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.276 -0.837 19586 8708 1 13 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.521 -3.913 19586 8709 1 13 . 1 1 85 85 ILE H H 85 7.927 7.927 8.113 -0.186 19586 8710 1 13 . 1 1 86 86 ARG N N 86 121.766 121.766 118.886 2.880 19586 8711 1 13 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.157 -0.149 19586 8712 1 13 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.264 -1.749 19586 8713 1 13 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.101 -3.245 19586 8714 1 13 . 1 1 86 86 ARG H H 86 8.233 8.233 8.473 -0.240 19586 8715 1 13 . 1 1 87 87 GLU N N 87 118.369 118.369 118.911 -0.542 19586 8716 1 13 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.251 -0.349 19586 8717 1 13 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.124 -1.518 19586 8718 1 13 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.374 -3.557 19586 8719 1 13 . 1 1 87 87 GLU H H 87 8.156 8.156 7.817 0.339 19586 8720 1 13 . 1 1 88 88 ALA N N 88 120.337 120.337 120.114 0.223 19586 8721 1 13 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.684 -0.735 19586 8722 1 13 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.523 -0.260 19586 8723 1 13 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.944 -4.864 19586 8724 1 13 . 1 1 88 88 ALA H H 88 7.877 7.877 7.695 0.182 19586 8725 1 13 . 1 1 89 89 PHE N N 89 118.191 118.191 122.331 -4.140 19586 8726 1 13 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.130 -1.015 19586 8727 1 13 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.746 -2.043 19586 8728 1 13 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.996 -3.222 19586 8729 1 13 . 1 1 89 89 PHE H H 89 8.459 8.459 7.755 0.704 19586 8730 1 13 . 1 1 90 90 ARG N N 90 115.953 115.953 118.971 -3.018 19586 8731 1 13 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.375 -0.470 19586 8732 1 13 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.980 -2.812 19586 8733 1 13 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.937 -2.283 19586 8734 1 13 . 1 1 90 90 ARG H H 90 7.764 7.764 7.901 -0.137 19586 8735 1 13 . 1 1 91 91 VAL N N 91 118.202 118.202 117.654 0.548 19586 8736 1 13 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.947 -0.662 19586 8737 1 13 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.893 -1.536 19586 8738 1 13 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.547 -3.103 19586 8739 1 13 . 1 1 91 91 VAL H H 91 7.229 7.229 7.643 -0.414 19586 8740 1 13 . 1 1 92 92 PHE N N 92 112.447 112.447 119.095 -6.648 19586 8741 1 13 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.371 -0.426 19586 8742 1 13 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.009 -0.980 19586 8743 1 13 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.710 -1.872 19586 8744 1 13 . 1 1 92 92 PHE H H 92 6.699 6.699 7.171 -0.472 19586 8745 1 13 . 1 1 93 93 ASP N N 93 116.461 116.461 118.783 -2.322 19586 8746 1 13 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.351 0.125 19586 8747 1 13 . 1 1 93 93 ASP CA C 93 49.525 49.525 54.077 -4.551 19586 8748 1 13 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.477 -5.294 19586 8749 1 13 . 1 1 93 93 ASP H H 93 7.881 7.881 8.201 -0.320 19586 8750 1 13 . 1 1 94 94 LYS N N 94 125.494 125.494 123.785 1.709 19586 8751 1 13 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.002 -0.334 19586 8752 1 13 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.659 -2.683 19586 8753 1 13 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.258 -0.844 19586 8754 1 13 . 1 1 94 94 LYS H H 94 7.596 7.596 8.389 -0.793 19586 8755 1 13 . 1 1 95 95 ASP N N 95 114.015 114.015 116.649 -2.634 19586 8756 1 13 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.695 -0.280 19586 8757 1 13 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.808 -4.501 19586 8758 1 13 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.414 -5.640 19586 8759 1 13 . 1 1 95 95 ASP H H 95 8.097 8.097 8.049 0.048 19586 8760 1 13 . 1 1 96 96 GLY N N 96 109.147 109.147 108.601 0.546 19586 8761 1 13 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.200 -0.856 19586 8762 1 13 . 1 1 96 96 GLY H H 96 7.677 7.677 8.543 -0.866 19586 8763 1 13 . 1 1 97 97 ASN N N 97 119.575 119.575 118.409 1.166 19586 8764 1 13 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.933 -0.433 19586 8765 1 13 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.569 -2.653 19586 8766 1 13 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.954 -3.771 19586 8767 1 13 . 1 1 97 97 ASN H H 97 8.252 8.252 8.107 0.145 19586 8768 1 13 . 1 1 98 98 GLY N N 98 112.465 112.465 106.702 5.763 19586 8769 1 13 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.723 -3.431 19586 8770 1 13 . 1 1 98 98 GLY H H 98 10.462 10.462 8.369 2.093 19586 8771 1 13 . 1 1 99 99 TYR N N 99 116.256 116.256 119.238 -2.982 19586 8772 1 13 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.920 -0.038 19586 8773 1 13 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.973 -3.391 19586 8774 1 13 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.572 -1.591 19586 8775 1 13 . 1 1 99 99 TYR H H 99 7.557 7.557 7.697 -0.140 19586 8776 1 13 . 1 1 100 100 ILE N N 100 126.957 126.957 121.634 5.323 19586 8777 1 13 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.269 0.188 19586 8778 1 13 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.210 -1.594 19586 8779 1 13 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.162 -3.730 19586 8780 1 13 . 1 1 100 100 ILE H H 100 9.972 9.972 8.860 1.112 19586 8781 1 13 . 1 1 101 101 SER N N 101 123.739 123.739 122.026 1.713 19586 8782 1 13 . 1 1 101 101 SER HA H 101 4.711 4.711 4.403 0.308 19586 8783 1 13 . 1 1 101 101 SER CA C 101 52.897 52.897 58.483 -5.586 19586 8784 1 13 . 1 1 101 101 SER CB C 101 64.134 64.134 64.263 -0.129 19586 8785 1 13 . 1 1 101 101 SER H H 101 8.844 8.844 8.528 0.316 19586 8786 1 13 . 1 1 102 102 ALA N N 102 123.028 123.028 126.873 -3.845 19586 8787 1 13 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.189 -0.478 19586 8788 1 13 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.776 -1.683 19586 8789 1 13 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.868 -3.754 19586 8790 1 13 . 1 1 102 102 ALA H H 102 9.178 9.178 8.639 0.539 19586 8791 1 13 . 1 1 103 103 ALA N N 103 118.443 118.443 119.076 -0.633 19586 8792 1 13 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.285 -0.423 19586 8793 1 13 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.641 -0.232 19586 8794 1 13 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.558 -2.102 19586 8795 1 13 . 1 1 103 103 ALA H H 103 8.132 8.132 8.308 -0.176 19586 8796 1 13 . 1 1 104 104 GLU N N 104 120.139 120.139 121.046 -0.907 19586 8797 1 13 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.078 -0.239 19586 8798 1 13 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.232 -2.669 19586 8799 1 13 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.430 -3.030 19586 8800 1 13 . 1 1 104 104 GLU H H 104 7.786 7.786 7.573 0.213 19586 8801 1 13 . 1 1 105 105 LEU N N 105 121.545 121.545 119.423 2.122 19586 8802 1 13 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.886 0.016 19586 8803 1 13 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.551 -1.819 19586 8804 1 13 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.532 -1.323 19586 8805 1 13 . 1 1 105 105 LEU H H 105 8.240 8.240 7.972 0.268 19586 8806 1 13 . 1 1 106 106 ARG N N 106 118.625 118.625 116.207 2.418 19586 8807 1 13 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.996 -0.157 19586 8808 1 13 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.034 -1.689 19586 8809 1 13 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.546 0.844 19586 8810 1 13 . 1 1 106 106 ARG H H 106 8.761 8.761 8.215 0.546 19586 8811 1 13 . 1 1 107 107 HIS N N 107 119.052 119.052 117.489 1.563 19586 8812 1 13 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.399 -0.497 19586 8813 1 13 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.422 -2.615 19586 8814 1 13 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.926 -3.728 19586 8815 1 13 . 1 1 107 107 HIS H H 107 7.946 7.946 7.541 0.405 19586 8816 1 13 . 1 1 108 108 VAL N N 108 119.160 119.160 119.788 -0.628 19586 8817 1 13 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.699 -0.257 19586 8818 1 13 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.855 -1.570 19586 8819 1 13 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.938 -3.030 19586 8820 1 13 . 1 1 108 108 VAL H H 108 7.736 7.736 8.845 -1.109 19586 8821 1 13 . 1 1 109 109 MET N N 109 115.333 115.333 118.691 -3.358 19586 8822 1 13 . 1 1 109 109 MET HA H 109 4.139 4.139 4.027 0.112 19586 8823 1 13 . 1 1 109 109 MET CA C 109 54.686 54.686 58.938 -4.252 19586 8824 1 13 . 1 1 109 109 MET CB C 109 29.706 29.706 32.221 -2.515 19586 8825 1 13 . 1 1 109 109 MET H H 109 8.074 8.074 7.994 0.080 19586 8826 1 13 . 1 1 110 110 THR N N 110 116.714 116.714 114.044 2.670 19586 8827 1 13 . 1 1 110 110 THR HA H 110 3.935 3.935 4.096 -0.161 19586 8828 1 13 . 1 1 110 110 THR CA C 110 63.845 63.845 66.044 -2.199 19586 8829 1 13 . 1 1 110 110 THR CB C 110 66.072 66.072 68.584 -2.512 19586 8830 1 13 . 1 1 110 110 THR H H 110 8.515 8.515 7.771 0.744 19586 8831 1 13 . 1 1 111 111 ASN N N 111 123.784 123.784 119.808 3.976 19586 8832 1 13 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.582 -0.340 19586 8833 1 13 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.056 -1.963 19586 8834 1 13 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.087 -2.795 19586 8835 1 13 . 1 1 111 111 ASN H H 111 7.890 7.890 7.624 0.266 19586 8836 1 13 . 1 1 112 112 LEU N N 112 118.227 118.227 117.188 1.039 19586 8837 1 13 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.308 -0.193 19586 8838 1 13 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.744 -3.091 19586 8839 1 13 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.148 -2.410 19586 8840 1 13 . 1 1 112 112 LEU H H 112 7.621 7.621 7.545 0.076 19586 8841 1 13 . 1 1 113 113 GLY N N 113 106.787 106.787 104.981 1.806 19586 8842 1 13 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.880 -2.344 19586 8843 1 13 . 1 1 113 113 GLY H H 113 7.701 7.701 7.483 0.218 19586 8844 1 13 . 1 1 114 114 GLU N N 114 120.288 120.288 118.807 1.481 19586 8845 1 13 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.511 -0.269 19586 8846 1 13 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.776 -1.709 19586 8847 1 13 . 1 1 114 114 GLU CB C 114 26.616 26.616 29.918 -3.302 19586 8848 1 13 . 1 1 114 114 GLU H H 114 7.864 7.864 7.824 0.040 19586 8849 1 13 . 1 1 115 115 LYS N N 115 124.987 124.987 125.256 -0.269 19586 8850 1 13 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.182 0.041 19586 8851 1 13 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.657 -3.809 19586 8852 1 13 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.454 -0.497 19586 8853 1 13 . 1 1 115 115 LYS H H 115 8.491 8.491 8.470 0.021 19586 8854 1 13 . 1 1 116 116 LEU N N 116 124.912 124.912 122.219 2.693 19586 8855 1 13 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.708 0.004 19586 8856 1 13 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.595 -1.506 19586 8857 1 13 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.534 -1.946 19586 8858 1 13 . 1 1 116 116 LEU H H 116 7.978 7.978 7.755 0.223 19586 8859 1 13 . 1 1 117 117 THR N N 117 114.220 114.220 113.183 1.037 19586 8860 1 13 . 1 1 117 117 THR HA H 117 4.302 4.302 4.436 -0.134 19586 8861 1 13 . 1 1 117 117 THR CA C 117 57.834 57.834 61.002 -3.168 19586 8862 1 13 . 1 1 117 117 THR CB C 117 68.580 68.580 70.287 -1.707 19586 8863 1 13 . 1 1 117 117 THR H H 117 9.093 9.093 7.961 1.132 19586 8864 1 13 . 1 1 118 118 ASP N N 118 120.925 120.925 120.958 -0.033 19586 8865 1 13 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.222 -0.164 19586 8866 1 13 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.030 -2.787 19586 8867 1 13 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.852 -3.850 19586 8868 1 13 . 1 1 118 118 ASP H H 118 8.764 8.764 8.708 0.056 19586 8869 1 13 . 1 1 119 119 GLU N N 119 119.395 119.395 117.461 1.934 19586 8870 1 13 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.957 -0.030 19586 8871 1 13 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.332 -2.183 19586 8872 1 13 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.850 -2.919 19586 8873 1 13 . 1 1 119 119 GLU H H 119 8.509 8.509 8.838 -0.329 19586 8874 1 13 . 1 1 120 120 GLU N N 120 119.909 119.909 118.916 0.993 19586 8875 1 13 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.178 -0.282 19586 8876 1 13 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.558 -2.239 19586 8877 1 13 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.721 -3.892 19586 8878 1 13 . 1 1 120 120 GLU H H 120 7.585 7.585 7.761 -0.176 19586 8879 1 13 . 1 1 121 121 VAL N N 121 122.092 122.092 117.071 5.021 19586 8880 1 13 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.984 -0.542 19586 8881 1 13 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.526 -0.436 19586 8882 1 13 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.337 -2.657 19586 8883 1 13 . 1 1 121 121 VAL H H 121 7.849 7.849 7.231 0.618 19586 8884 1 13 . 1 1 122 122 ASP N N 122 120.167 120.167 120.780 -0.613 19586 8885 1 13 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.316 -0.159 19586 8886 1 13 . 1 1 122 122 ASP CA C 122 54.901 54.901 57.991 -3.090 19586 8887 1 13 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.695 -3.123 19586 8888 1 13 . 1 1 122 122 ASP H H 122 7.912 7.912 8.847 -0.935 19586 8889 1 13 . 1 1 123 123 GLU N N 123 119.087 119.087 118.294 0.793 19586 8890 1 13 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.186 -0.290 19586 8891 1 13 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.947 -2.335 19586 8892 1 13 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.472 -3.300 19586 8893 1 13 . 1 1 123 123 GLU H H 123 7.839 7.839 7.803 0.036 19586 8894 1 13 . 1 1 124 124 MET N N 124 118.897 118.897 117.031 1.866 19586 8895 1 13 . 1 1 124 124 MET HA H 124 3.867 3.867 4.289 -0.422 19586 8896 1 13 . 1 1 124 124 MET CA C 124 56.905 56.905 58.840 -1.935 19586 8897 1 13 . 1 1 124 124 MET CB C 124 29.250 29.250 33.390 -4.140 19586 8898 1 13 . 1 1 124 124 MET H H 124 7.433 7.433 7.391 0.042 19586 8899 1 13 . 1 1 125 125 ILE N N 125 118.001 118.001 112.818 5.183 19586 8900 1 13 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.342 -0.962 19586 8901 1 13 . 1 1 125 125 ILE CA C 125 60.131 60.131 62.078 -1.947 19586 8902 1 13 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.886 -5.646 19586 8903 1 13 . 1 1 125 125 ILE H H 125 7.658 7.658 8.017 -0.359 19586 8904 1 13 . 1 1 126 126 ARG N N 126 117.720 117.720 119.695 -1.975 19586 8905 1 13 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.139 -0.256 19586 8906 1 13 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.380 -2.707 19586 8907 1 13 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.407 -0.929 19586 8908 1 13 . 1 1 126 126 ARG H H 126 7.974 7.974 8.276 -0.302 19586 8909 1 13 . 1 1 127 127 GLU N N 127 117.050 117.050 117.751 -0.701 19586 8910 1 13 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.218 -0.251 19586 8911 1 13 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.300 -1.981 19586 8912 1 13 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.672 -3.386 19586 8913 1 13 . 1 1 127 127 GLU H H 127 7.635 7.635 7.591 0.044 19586 8914 1 13 . 1 1 128 128 ALA N N 128 116.966 116.966 120.473 -3.507 19586 8915 1 13 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.436 0.064 19586 8916 1 13 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.171 -3.966 19586 8917 1 13 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.784 0.321 19586 8918 1 13 . 1 1 128 128 ALA H H 128 7.155 7.155 7.896 -0.741 19586 8919 1 13 . 1 1 129 129 ASP N N 129 118.033 118.033 119.276 -1.243 19586 8920 1 13 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.895 -0.544 19586 8921 1 13 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.297 -1.475 19586 8922 1 13 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.734 -4.048 19586 8923 1 13 . 1 1 129 129 ASP H H 129 7.806 7.806 7.573 0.233 19586 8924 1 13 . 1 1 130 130 ILE N N 130 127.927 127.927 121.644 6.283 19586 8925 1 13 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.167 -0.370 19586 8926 1 13 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.033 -2.511 19586 8927 1 13 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.319 -2.229 19586 8928 1 13 . 1 1 130 130 ILE H H 130 8.115 8.115 8.299 -0.184 19586 8929 1 13 . 1 1 131 131 ASP N N 131 116.634 116.634 119.640 -3.006 19586 8930 1 13 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.695 -0.352 19586 8931 1 13 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.917 -2.730 19586 8932 1 13 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.468 -4.000 19586 8933 1 13 . 1 1 131 131 ASP H H 131 8.202 8.202 8.018 0.184 19586 8934 1 13 . 1 1 132 132 GLY N N 132 108.586 108.586 109.319 -0.733 19586 8935 1 13 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.971 -1.333 19586 8936 1 13 . 1 1 132 132 GLY H H 132 7.535 7.535 7.485 0.050 19586 8937 1 13 . 1 1 133 133 ASP N N 133 120.377 120.377 120.233 0.144 19586 8938 1 13 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.583 -0.232 19586 8939 1 13 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.498 -3.556 19586 8940 1 13 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.315 -3.857 19586 8941 1 13 . 1 1 133 133 ASP H H 133 8.215 8.215 8.810 -0.596 19586 8942 1 13 . 1 1 134 134 GLY N N 134 112.226 112.226 107.622 4.604 19586 8943 1 13 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.361 -2.239 19586 8944 1 13 . 1 1 134 134 GLY H H 134 9.971 9.971 8.600 1.371 19586 8945 1 13 . 1 1 135 135 GLN N N 135 115.229 115.229 116.937 -1.708 19586 8946 1 13 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.870 -0.739 19586 8947 1 13 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.601 -4.147 19586 8948 1 13 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.085 -3.471 19586 8949 1 13 . 1 1 135 135 GLN H H 135 7.835 7.835 7.555 0.280 19586 8950 1 13 . 1 1 136 136 VAL N N 136 125.238 125.238 120.861 4.377 19586 8951 1 13 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.425 0.671 19586 8952 1 13 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.727 -2.014 19586 8953 1 13 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.872 -1.456 19586 8954 1 13 . 1 1 136 136 VAL H H 136 8.958 8.958 8.939 0.019 19586 8955 1 13 . 1 1 137 137 ASN N N 137 129.058 129.058 125.733 3.325 19586 8956 1 13 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.995 0.231 19586 8957 1 13 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.610 -4.258 19586 8958 1 13 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.882 -4.242 19586 8959 1 13 . 1 1 137 137 ASN H H 137 9.435 9.435 8.736 0.699 19586 8960 1 13 . 1 1 138 138 TYR N N 138 118.627 118.627 121.133 -2.506 19586 8961 1 13 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.333 -1.141 19586 8962 1 13 . 1 1 138 138 TYR CA C 138 59.669 59.669 62.398 -2.729 19586 8963 1 13 . 1 1 138 138 TYR CB C 138 37.572 37.572 39.087 -1.515 19586 8964 1 13 . 1 1 138 138 TYR H H 138 8.146 8.146 8.212 -0.066 19586 8965 1 13 . 1 1 139 139 GLU N N 139 118.701 118.701 119.129 -0.428 19586 8966 1 13 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.977 -0.466 19586 8967 1 13 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.876 -2.336 19586 8968 1 13 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.116 -2.842 19586 8969 1 13 . 1 1 139 139 GLU H H 139 7.974 7.974 8.812 -0.838 19586 8970 1 13 . 1 1 140 140 GLU N N 140 119.774 119.774 118.336 1.438 19586 8971 1 13 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.206 -0.295 19586 8972 1 13 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.779 -2.754 19586 8973 1 13 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.461 -3.187 19586 8974 1 13 . 1 1 140 140 GLU H H 140 8.676 8.676 8.442 0.234 19586 8975 1 13 . 1 1 141 141 PHE N N 141 124.074 124.074 119.887 4.187 19586 8976 1 13 . 1 1 141 141 PHE HA H 141 3.647 3.647 3.991 -0.344 19586 8977 1 13 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.444 -0.997 19586 8978 1 13 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.948 -1.262 19586 8979 1 13 . 1 1 141 141 PHE H H 141 8.507 8.507 7.537 0.970 19586 8980 1 13 . 1 1 142 142 VAL N N 142 119.203 119.203 116.038 3.165 19586 8981 1 13 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.407 -0.449 19586 8982 1 13 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.478 -1.046 19586 8983 1 13 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.625 -1.717 19586 8984 1 13 . 1 1 142 142 VAL H H 142 8.639 8.639 7.239 1.400 19586 8985 1 13 . 1 1 143 143 GLN N N 143 120.173 120.173 119.456 0.717 19586 8986 1 13 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.988 -0.317 19586 8987 1 13 . 1 1 143 143 GLN CA C 143 56.514 56.514 59.010 -2.496 19586 8988 1 13 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.280 -3.034 19586 8989 1 13 . 1 1 143 143 GLN H H 143 7.818 7.818 7.664 0.154 19586 8990 1 13 . 1 1 144 144 MET N N 144 118.573 118.573 116.842 1.731 19586 8991 1 13 . 1 1 144 144 MET HA H 144 3.882 3.882 4.241 -0.359 19586 8992 1 13 . 1 1 144 144 MET CA C 144 55.683 55.683 57.605 -1.923 19586 8993 1 13 . 1 1 144 144 MET CB C 144 28.110 28.110 32.383 -4.273 19586 8994 1 13 . 1 1 144 144 MET H H 144 7.403 7.403 7.248 0.155 19586 8995 1 13 . 1 1 145 145 MET N N 145 114.053 114.053 116.921 -2.868 19586 8996 1 13 . 1 1 145 145 MET HA H 145 3.940 3.940 4.267 -0.327 19586 8997 1 13 . 1 1 145 145 MET CA C 145 53.630 53.630 58.205 -4.575 19586 8998 1 13 . 1 1 145 145 MET CB C 145 29.592 29.592 32.886 -3.294 19586 8999 1 13 . 1 1 145 145 MET H H 145 7.534 7.534 7.582 -0.048 19586 9000 1 13 . 1 1 146 146 THR N N 146 109.275 109.275 114.808 -5.533 19586 9001 1 13 . 1 1 146 146 THR HA H 146 4.175 4.175 4.076 0.099 19586 9002 1 13 . 1 1 146 146 THR CA C 146 59.251 59.251 64.205 -4.954 19586 9003 1 13 . 1 1 146 146 THR CB C 146 67.896 67.896 69.020 -1.124 19586 9004 1 13 . 1 1 146 146 THR H H 146 7.554 7.554 7.766 -0.212 19586 9005 1 13 . 1 1 147 147 ALA N N 147 126.913 126.913 122.743 4.170 19586 9006 1 13 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.606 -0.489 19586 9007 1 13 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.272 -0.965 19586 9008 1 13 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.937 -3.601 19586 9009 1 13 . 1 1 147 147 ALA H H 147 7.406 7.406 7.336 0.070 19586 9010 1 14 . 1 1 2 2 ASP N N 2 120.378 120.378 122.032 -1.654 19586 9011 1 14 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.929 -0.344 19586 9012 1 14 . 1 1 2 2 ASP CA C 2 51.960 51.960 53.636 -1.676 19586 9013 1 14 . 1 1 2 2 ASP H H 2 8.506 8.506 8.492 0.014 19586 9014 1 14 . 1 1 3 3 GLN N N 3 119.707 119.707 120.590 -0.883 19586 9015 1 14 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.661 -0.449 19586 9016 1 14 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.121 -2.386 19586 9017 1 14 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.270 -0.196 19586 9018 1 14 . 1 1 3 3 GLN H H 3 8.208 8.208 8.440 -0.232 19586 9019 1 14 . 1 1 4 4 LEU N N 4 123.069 123.069 121.975 1.094 19586 9020 1 14 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.704 -0.564 19586 9021 1 14 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.927 -4.269 19586 9022 1 14 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.154 -2.530 19586 9023 1 14 . 1 1 4 4 LEU H H 4 8.181 8.181 8.769 -0.588 19586 9024 1 14 . 1 1 5 5 THR N N 5 112.909 112.909 112.549 0.360 19586 9025 1 14 . 1 1 5 5 THR HA H 5 4.322 4.322 4.887 -0.565 19586 9026 1 14 . 1 1 5 5 THR CA C 5 57.687 57.687 63.774 -6.087 19586 9027 1 14 . 1 1 5 5 THR CB C 5 68.580 68.580 69.184 -0.605 19586 9028 1 14 . 1 1 5 5 THR H H 5 8.607 8.607 7.820 0.787 19586 9029 1 14 . 1 1 6 6 GLU N N 6 120.224 120.224 120.948 -0.724 19586 9030 1 14 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.130 -0.305 19586 9031 1 14 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.428 -2.181 19586 9032 1 14 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.557 -0.421 19586 9033 1 14 . 1 1 6 6 GLU H H 6 8.877 8.877 8.717 0.160 19586 9034 1 14 . 1 1 7 7 GLU N N 7 119.350 119.350 116.052 3.298 19586 9035 1 14 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.237 -0.320 19586 9036 1 14 . 1 1 7 7 GLU CA C 7 57.198 57.198 57.741 -0.543 19586 9037 1 14 . 1 1 7 7 GLU CB C 7 26.274 26.274 28.983 -2.709 19586 9038 1 14 . 1 1 7 7 GLU H H 7 8.524 8.524 8.163 0.361 19586 9039 1 14 . 1 1 8 8 GLN N N 8 119.917 119.917 117.713 2.204 19586 9040 1 14 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.216 -0.313 19586 9041 1 14 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.207 -2.231 19586 9042 1 14 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.691 -3.291 19586 9043 1 14 . 1 1 8 8 GLN H H 8 7.603 7.603 7.534 0.069 19586 9044 1 14 . 1 1 9 9 ILE N N 9 119.503 119.503 111.949 7.554 19586 9045 1 14 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.682 -1.043 19586 9046 1 14 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.825 1.971 19586 9047 1 14 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.422 -3.244 19586 9048 1 14 . 1 1 9 9 ILE H H 9 8.260 8.260 7.501 0.759 19586 9049 1 14 . 1 1 10 10 ALA N N 10 121.044 121.044 125.276 -4.232 19586 9050 1 14 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.093 -0.132 19586 9051 1 14 . 1 1 10 10 ALA CA C 10 52.702 52.702 55.115 -2.413 19586 9052 1 14 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.452 -3.338 19586 9053 1 14 . 1 1 10 10 ALA H H 10 7.840 7.840 8.449 -0.609 19586 9054 1 14 . 1 1 11 11 GLU N N 11 119.113 119.113 118.113 1.000 19586 9055 1 14 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.363 -0.455 19586 9056 1 14 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.251 -0.688 19586 9057 1 14 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.290 -2.890 19586 9058 1 14 . 1 1 11 11 GLU H H 11 7.635 7.635 8.434 -0.799 19586 9059 1 14 . 1 1 12 12 PHE N N 12 119.574 119.574 120.236 -0.662 19586 9060 1 14 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.356 0.430 19586 9061 1 14 . 1 1 12 12 PHE CA C 12 56.954 56.954 62.128 -5.174 19586 9062 1 14 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.598 -4.534 19586 9063 1 14 . 1 1 12 12 PHE H H 12 8.441 8.441 8.152 0.289 19586 9064 1 14 . 1 1 13 13 LYS N N 13 123.454 123.454 119.148 4.306 19586 9065 1 14 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.550 -0.647 19586 9066 1 14 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.587 -1.291 19586 9067 1 14 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.139 -2.546 19586 9068 1 14 . 1 1 13 13 LYS H H 13 9.103 9.103 8.050 1.053 19586 9069 1 14 . 1 1 14 14 GLU N N 14 119.525 119.525 117.722 1.803 19586 9070 1 14 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.407 -0.496 19586 9071 1 14 . 1 1 14 14 GLU CA C 14 56.465 56.465 58.091 -1.626 19586 9072 1 14 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.098 -3.595 19586 9073 1 14 . 1 1 14 14 GLU H H 14 7.667 7.667 8.171 -0.504 19586 9074 1 14 . 1 1 15 15 ALA N N 15 121.983 121.983 121.930 0.053 19586 9075 1 14 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.314 -0.353 19586 9076 1 14 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.609 -1.858 19586 9077 1 14 . 1 1 15 15 ALA CB C 15 15.228 15.228 19.010 -3.782 19586 9078 1 14 . 1 1 15 15 ALA H H 15 7.816 7.816 7.832 -0.016 19586 9079 1 14 . 1 1 16 16 PHE N N 16 118.874 118.874 118.997 -0.123 19586 9080 1 14 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.211 -1.116 19586 9081 1 14 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.568 -1.024 19586 9082 1 14 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.190 -2.416 19586 9083 1 14 . 1 1 16 16 PHE H H 16 8.764 8.764 8.574 0.190 19586 9084 1 14 . 1 1 17 17 SER N N 17 111.578 111.578 113.105 -1.527 19586 9085 1 14 . 1 1 17 17 SER HA H 17 3.979 3.979 4.608 -0.629 19586 9086 1 14 . 1 1 17 17 SER CA C 17 58.567 58.567 59.916 -1.349 19586 9087 1 14 . 1 1 17 17 SER CB C 17 60.600 60.600 62.802 -2.202 19586 9088 1 14 . 1 1 17 17 SER H H 17 7.825 7.825 8.671 -0.846 19586 9089 1 14 . 1 1 18 18 LEU N N 18 121.167 121.167 120.711 0.456 19586 9090 1 14 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.041 -0.094 19586 9091 1 14 . 1 1 18 18 LEU CA C 18 54.608 54.608 56.724 -2.115 19586 9092 1 14 . 1 1 18 18 LEU CB C 18 39.638 39.638 41.816 -2.178 19586 9093 1 14 . 1 1 18 18 LEU H H 18 7.240 7.240 7.351 -0.111 19586 9094 1 14 . 1 1 19 19 PHE N N 19 114.405 114.405 117.637 -3.232 19586 9095 1 14 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.299 -0.388 19586 9096 1 14 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.665 -2.418 19586 9097 1 14 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.736 -5.926 19586 9098 1 14 . 1 1 19 19 PHE H H 19 7.090 7.090 7.319 -0.229 19586 9099 1 14 . 1 1 20 20 ASP N N 20 115.823 115.823 119.021 -3.198 19586 9100 1 14 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.341 0.135 19586 9101 1 14 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.082 -4.606 19586 9102 1 14 . 1 1 20 20 ASP CB C 20 36.782 36.782 38.940 -2.158 19586 9103 1 14 . 1 1 20 20 ASP H H 20 7.662 7.662 7.662 -0.000 19586 9104 1 14 . 1 1 21 21 LYS N N 21 124.906 124.906 122.563 2.343 19586 9105 1 14 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.101 -0.315 19586 9106 1 14 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.859 -1.835 19586 9107 1 14 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.254 -2.554 19586 9108 1 14 . 1 1 21 21 LYS H H 21 7.539 7.539 8.006 -0.467 19586 9109 1 14 . 1 1 22 22 ASP N N 22 113.550 113.550 117.348 -3.798 19586 9110 1 14 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.708 -0.277 19586 9111 1 14 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.821 -4.856 19586 9112 1 14 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.561 -4.787 19586 9113 1 14 . 1 1 22 22 ASP H H 22 7.965 7.965 7.958 0.007 19586 9114 1 14 . 1 1 23 23 GLY N N 23 109.354 109.354 108.458 0.896 19586 9115 1 14 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.267 -1.825 19586 9116 1 14 . 1 1 23 23 GLY H H 23 7.606 7.606 7.886 -0.280 19586 9117 1 14 . 1 1 24 24 ASP N N 24 120.643 120.643 120.826 -0.183 19586 9118 1 14 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.754 -0.399 19586 9119 1 14 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.812 -2.772 19586 9120 1 14 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.091 -3.405 19586 9121 1 14 . 1 1 24 24 ASP H H 24 8.266 8.266 8.443 -0.177 19586 9122 1 14 . 1 1 25 25 GLY N N 25 113.205 113.205 106.880 6.325 19586 9123 1 14 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.242 -2.559 19586 9124 1 14 . 1 1 25 25 GLY H H 25 10.545 10.545 8.138 2.407 19586 9125 1 14 . 1 1 26 26 THR N N 26 112.852 112.852 109.867 2.985 19586 9126 1 14 . 1 1 26 26 THR HA H 26 5.170 5.170 5.231 -0.061 19586 9127 1 14 . 1 1 26 26 THR CA C 26 56.954 56.954 60.083 -3.129 19586 9128 1 14 . 1 1 26 26 THR CB C 26 69.948 69.948 71.630 -1.682 19586 9129 1 14 . 1 1 26 26 THR H H 26 8.020 8.020 7.644 0.376 19586 9130 1 14 . 1 1 27 27 ILE N N 27 127.005 127.005 120.869 6.136 19586 9131 1 14 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.459 -0.632 19586 9132 1 14 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.047 -1.116 19586 9133 1 14 . 1 1 27 27 ILE CB C 27 37.230 37.230 41.403 -4.173 19586 9134 1 14 . 1 1 27 27 ILE H H 27 9.689 9.689 8.002 1.687 19586 9135 1 14 . 1 1 28 28 THR N N 28 116.439 116.439 117.684 -1.245 19586 9136 1 14 . 1 1 28 28 THR HA H 28 4.642 4.642 4.368 0.274 19586 9137 1 14 . 1 1 28 28 THR CA C 28 56.612 56.612 63.143 -6.531 19586 9138 1 14 . 1 1 28 28 THR CB C 28 69.606 69.606 69.409 0.197 19586 9139 1 14 . 1 1 28 28 THR H H 28 8.275 8.275 8.495 -0.220 19586 9140 1 14 . 1 1 29 29 THR N N 29 113.287 113.287 119.362 -6.075 19586 9141 1 14 . 1 1 29 29 THR HA H 29 3.635 3.635 4.058 -0.423 19586 9142 1 14 . 1 1 29 29 THR CA C 29 63.845 63.845 65.358 -1.513 19586 9143 1 14 . 1 1 29 29 THR CB C 29 65.616 65.616 68.788 -3.172 19586 9144 1 14 . 1 1 29 29 THR H H 29 9.054 9.054 8.671 0.383 19586 9145 1 14 . 1 1 30 30 LYS N N 30 121.230 121.230 117.883 3.347 19586 9146 1 14 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.061 -0.158 19586 9147 1 14 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.892 -2.427 19586 9148 1 14 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.133 -2.433 19586 9149 1 14 . 1 1 30 30 LYS H H 30 7.578 7.578 8.284 -0.706 19586 9150 1 14 . 1 1 31 31 GLU N N 31 122.002 122.002 118.025 3.977 19586 9151 1 14 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.208 -0.345 19586 9152 1 14 . 1 1 31 31 GLU CA C 31 57.149 57.149 58.735 -1.586 19586 9153 1 14 . 1 1 31 31 GLU CB C 31 26.058 26.058 29.800 -3.742 19586 9154 1 14 . 1 1 31 31 GLU H H 31 7.712 7.712 7.511 0.201 19586 9155 1 14 . 1 1 32 32 LEU N N 32 119.130 119.130 119.325 -0.195 19586 9156 1 14 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.161 -0.236 19586 9157 1 14 . 1 1 32 32 LEU CA C 32 55.529 55.529 57.299 -1.770 19586 9158 1 14 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.385 -1.404 19586 9159 1 14 . 1 1 32 32 LEU H H 32 8.509 8.509 7.553 0.956 19586 9160 1 14 . 1 1 33 33 GLY N N 33 103.747 103.747 105.393 -1.646 19586 9161 1 14 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.985 -0.321 19586 9162 1 14 . 1 1 33 33 GLY H H 33 8.388 8.388 7.832 0.556 19586 9163 1 14 . 1 1 34 34 THR N N 34 117.487 117.487 116.389 1.098 19586 9164 1 14 . 1 1 34 34 THR HA H 34 3.795 3.795 4.243 -0.448 19586 9165 1 14 . 1 1 34 34 THR CA C 34 64.285 64.285 62.789 1.496 19586 9166 1 14 . 1 1 34 34 THR CB C 34 66.186 66.186 68.414 -2.228 19586 9167 1 14 . 1 1 34 34 THR H H 34 7.935 7.935 7.716 0.219 19586 9168 1 14 . 1 1 35 35 VAL N N 35 120.287 120.287 119.945 0.342 19586 9169 1 14 . 1 1 35 35 VAL H H 35 7.089 7.089 7.280 -0.191 19586 9170 1 14 . 1 1 36 36 MET N N 36 117.816 117.816 117.973 -0.157 19586 9171 1 14 . 1 1 36 36 MET HA H 36 3.911 3.911 4.366 -0.455 19586 9172 1 14 . 1 1 36 36 MET CA C 36 57.101 57.101 58.460 -1.359 19586 9173 1 14 . 1 1 36 36 MET CB C 36 29.929 29.929 32.934 -3.005 19586 9174 1 14 . 1 1 36 36 MET H H 36 8.318 8.318 7.962 0.356 19586 9175 1 14 . 1 1 37 37 ARG N N 37 117.706 117.706 119.645 -1.939 19586 9176 1 14 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.212 0.486 19586 9177 1 14 . 1 1 37 37 ARG CA C 37 56.172 56.172 57.116 -0.944 19586 9178 1 14 . 1 1 37 37 ARG CB C 37 27.084 27.084 28.705 -1.621 19586 9179 1 14 . 1 1 37 37 ARG H H 37 8.233 8.233 8.329 -0.096 19586 9180 1 14 . 1 1 38 38 SER N N 38 118.974 118.974 113.916 5.058 19586 9181 1 14 . 1 1 38 38 SER HA H 38 4.187 4.187 4.643 -0.456 19586 9182 1 14 . 1 1 38 38 SER CA C 38 59.251 59.251 59.239 0.012 19586 9183 1 14 . 1 1 38 38 SER CB C 38 67.782 67.782 65.712 2.070 19586 9184 1 14 . 1 1 38 38 SER H H 38 7.874 7.874 8.423 -0.549 19586 9185 1 14 . 1 1 39 39 LEU N N 39 118.835 118.835 122.126 -3.291 19586 9186 1 14 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.402 -0.263 19586 9187 1 14 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.314 -3.981 19586 9188 1 14 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.075 -2.437 19586 9189 1 14 . 1 1 39 39 LEU H H 39 7.248 7.248 7.890 -0.642 19586 9190 1 14 . 1 1 40 40 GLY N N 40 104.990 104.990 106.021 -1.031 19586 9191 1 14 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.671 -2.793 19586 9192 1 14 . 1 1 40 40 GLY H H 40 7.471 7.471 8.011 -0.540 19586 9193 1 14 . 1 1 41 41 GLN N N 41 118.032 118.032 119.146 -1.114 19586 9194 1 14 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.567 -0.197 19586 9195 1 14 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.572 -3.385 19586 9196 1 14 . 1 1 41 41 GLN CB C 41 30.618 30.618 30.950 -0.332 19586 9197 1 14 . 1 1 41 41 GLN H H 41 7.860 7.860 8.166 -0.306 19586 9198 1 14 . 1 1 42 42 ASN N N 42 115.671 115.671 117.456 -1.785 19586 9199 1 14 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.156 -0.062 19586 9200 1 14 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.906 -2.212 19586 9201 1 14 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.871 -3.317 19586 9202 1 14 . 1 1 42 42 ASN H H 42 8.561 8.561 8.434 0.127 19586 9203 1 14 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.592 0.119 19586 9204 1 14 . 1 1 44 44 THR N N 44 113.509 113.509 119.490 -5.981 19586 9205 1 14 . 1 1 44 44 THR HA H 44 4.321 4.321 4.513 -0.192 19586 9206 1 14 . 1 1 44 44 THR CA C 44 57.638 57.638 60.624 -2.986 19586 9207 1 14 . 1 1 44 44 THR CB C 44 68.466 68.466 68.683 -0.217 19586 9208 1 14 . 1 1 44 44 THR H H 44 8.882 8.882 8.485 0.397 19586 9209 1 14 . 1 1 45 45 GLU N N 45 120.506 120.506 127.588 -7.082 19586 9210 1 14 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.918 -0.038 19586 9211 1 14 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.678 -2.576 19586 9212 1 14 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.436 -3.162 19586 9213 1 14 . 1 1 45 45 GLU H H 45 8.662 8.662 8.442 0.220 19586 9214 1 14 . 1 1 46 46 ALA N N 46 120.586 120.586 118.710 1.876 19586 9215 1 14 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.193 -0.268 19586 9216 1 14 . 1 1 46 46 ALA CA C 46 52.311 52.311 53.840 -1.530 19586 9217 1 14 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.317 -3.237 19586 9218 1 14 . 1 1 46 46 ALA H H 46 8.139 8.139 8.346 -0.207 19586 9219 1 14 . 1 1 47 47 GLU N N 47 118.171 118.171 119.296 -1.125 19586 9220 1 14 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.161 -0.285 19586 9221 1 14 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.983 -2.713 19586 9222 1 14 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.690 -3.404 19586 9223 1 14 . 1 1 47 47 GLU H H 47 7.597 7.597 7.459 0.138 19586 9224 1 14 . 1 1 48 48 LEU N N 48 120.228 120.228 116.049 4.179 19586 9225 1 14 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.155 -0.228 19586 9226 1 14 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.748 -2.700 19586 9227 1 14 . 1 1 48 48 LEU CB C 48 39.981 39.981 39.628 0.353 19586 9228 1 14 . 1 1 48 48 LEU H H 48 7.848 7.848 7.489 0.359 19586 9229 1 14 . 1 1 49 49 GLN N N 49 117.910 117.910 119.323 -1.413 19586 9230 1 14 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.111 -0.210 19586 9231 1 14 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.880 -3.148 19586 9232 1 14 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.631 -0.749 19586 9233 1 14 . 1 1 49 49 GLN H H 49 8.037 8.037 7.931 0.106 19586 9234 1 14 . 1 1 50 50 ASP N N 50 119.284 119.284 118.988 0.296 19586 9235 1 14 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.490 -0.333 19586 9236 1 14 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.728 -2.022 19586 9237 1 14 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.859 -3.287 19586 9238 1 14 . 1 1 50 50 ASP H H 50 8.010 8.010 7.720 0.290 19586 9239 1 14 . 1 1 51 51 MET N N 51 119.245 119.245 117.958 1.287 19586 9240 1 14 . 1 1 51 51 MET HA H 51 3.923 3.923 4.534 -0.611 19586 9241 1 14 . 1 1 51 51 MET CA C 51 56.563 56.563 56.569 -0.006 19586 9242 1 14 . 1 1 51 51 MET CB C 51 29.478 29.478 33.986 -4.508 19586 9243 1 14 . 1 1 51 51 MET H H 51 7.614 7.614 7.604 0.010 19586 9244 1 14 . 1 1 52 52 ILE N N 52 117.584 117.584 120.372 -2.788 19586 9245 1 14 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.846 -0.518 19586 9246 1 14 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.168 -2.278 19586 9247 1 14 . 1 1 52 52 ILE CB C 52 34.494 34.494 36.952 -2.458 19586 9248 1 14 . 1 1 52 52 ILE H H 52 7.514 7.514 8.890 -1.376 19586 9249 1 14 . 1 1 53 53 ASN N N 53 117.126 117.126 117.358 -0.232 19586 9250 1 14 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.539 -0.317 19586 9251 1 14 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.010 -2.917 19586 9252 1 14 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.767 -3.475 19586 9253 1 14 . 1 1 53 53 ASN H H 53 8.418 8.418 7.687 0.731 19586 9254 1 14 . 1 1 54 54 GLU N N 54 116.380 116.380 116.711 -0.331 19586 9255 1 14 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.316 -0.413 19586 9256 1 14 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.175 -2.052 19586 9257 1 14 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.477 -4.077 19586 9258 1 14 . 1 1 54 54 GLU H H 54 7.466 7.466 8.139 -0.673 19586 9259 1 14 . 1 1 55 55 VAL N N 55 108.622 108.622 110.819 -2.197 19586 9260 1 14 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.346 -0.032 19586 9261 1 14 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.831 -3.655 19586 9262 1 14 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.814 -1.652 19586 9263 1 14 . 1 1 55 55 VAL H H 55 7.044 7.044 7.731 -0.687 19586 9264 1 14 . 1 1 56 56 ASP N N 56 121.430 121.430 122.065 -0.635 19586 9265 1 14 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.677 -0.287 19586 9266 1 14 . 1 1 56 56 ASP CA C 56 50.991 50.991 53.019 -2.027 19586 9267 1 14 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.538 -1.642 19586 9268 1 14 . 1 1 56 56 ASP H H 56 7.561 7.561 7.931 -0.370 19586 9269 1 14 . 1 1 57 57 ALA N N 57 131.840 131.840 124.268 7.572 19586 9270 1 14 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.138 -0.085 19586 9271 1 14 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.727 -3.247 19586 9272 1 14 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.036 -2.243 19586 9273 1 14 . 1 1 57 57 ALA H H 57 8.357 8.357 7.759 0.598 19586 9274 1 14 . 1 1 58 58 ASP N N 58 113.565 113.565 116.734 -3.169 19586 9275 1 14 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.723 -0.233 19586 9276 1 14 . 1 1 58 58 ASP CA C 58 49.916 49.916 52.913 -2.997 19586 9277 1 14 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.113 -4.339 19586 9278 1 14 . 1 1 58 58 ASP H H 58 7.985 7.985 8.213 -0.228 19586 9279 1 14 . 1 1 59 59 GLY N N 59 108.187 108.187 109.018 -0.831 19586 9280 1 14 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.217 -1.726 19586 9281 1 14 . 1 1 59 59 GLY H H 59 7.424 7.424 7.815 -0.391 19586 9282 1 14 . 1 1 60 60 ASN N N 60 118.065 118.065 121.139 -3.074 19586 9283 1 14 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.675 -0.229 19586 9284 1 14 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.404 -3.635 19586 9285 1 14 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.954 -2.400 19586 9286 1 14 . 1 1 60 60 ASN H H 60 7.919 7.919 8.532 -0.613 19586 9287 1 14 . 1 1 61 61 GLY N N 61 113.247 113.247 107.700 5.547 19586 9288 1 14 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.509 -3.631 19586 9289 1 14 . 1 1 61 61 GLY H H 61 10.485 10.485 8.738 1.747 19586 9290 1 14 . 1 1 62 62 THR N N 62 108.699 108.699 112.152 -3.453 19586 9291 1 14 . 1 1 62 62 THR HA H 62 4.580 4.580 4.668 -0.088 19586 9292 1 14 . 1 1 62 62 THR CA C 62 56.661 56.661 61.010 -4.349 19586 9293 1 14 . 1 1 62 62 THR H H 62 7.511 7.511 7.304 0.207 19586 9294 1 14 . 1 1 63 63 ILE N N 63 122.834 122.834 119.601 3.233 19586 9295 1 14 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.412 0.642 19586 9296 1 14 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.173 -2.072 19586 9297 1 14 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.655 -4.311 19586 9298 1 14 . 1 1 63 63 ILE H H 63 8.741 8.741 8.102 0.639 19586 9299 1 14 . 1 1 64 64 ASP N N 64 127.818 127.818 121.503 6.315 19586 9300 1 14 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.332 -0.094 19586 9301 1 14 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.075 -2.697 19586 9302 1 14 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.589 -6.807 19586 9303 1 14 . 1 1 64 64 ASP H H 64 8.702 8.702 8.584 0.118 19586 9304 1 14 . 1 1 65 65 PHE N N 65 118.653 118.653 119.374 -0.721 19586 9305 1 14 . 1 1 65 65 PHE HA H 65 3.861 3.861 3.875 -0.014 19586 9306 1 14 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.021 -2.304 19586 9307 1 14 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.589 -4.463 19586 9308 1 14 . 1 1 65 65 PHE H H 65 8.847 8.847 8.814 0.033 19586 9309 1 14 . 1 1 67 67 GLU N N 67 117.631 117.631 116.646 0.985 19586 9310 1 14 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.115 -0.212 19586 9311 1 14 . 1 1 67 67 GLU CA C 67 56.337 56.337 57.806 -1.469 19586 9312 1 14 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.422 -2.377 19586 9313 1 14 . 1 1 67 67 GLU H H 67 7.940 7.940 8.814 -0.874 19586 9314 1 14 . 1 1 68 68 PHE N N 68 123.289 123.289 120.621 2.668 19586 9315 1 14 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.307 -0.467 19586 9316 1 14 . 1 1 68 68 PHE CA C 68 58.727 58.727 60.918 -2.191 19586 9317 1 14 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.391 -1.819 19586 9318 1 14 . 1 1 68 68 PHE H H 68 8.757 8.757 7.428 1.329 19586 9319 1 14 . 1 1 69 69 LEU N N 69 118.867 118.867 117.831 1.036 19586 9320 1 14 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.095 -0.850 19586 9321 1 14 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.015 -1.857 19586 9322 1 14 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.697 -3.441 19586 9323 1 14 . 1 1 69 69 LEU H H 69 8.403 8.403 7.752 0.651 19586 9324 1 14 . 1 1 70 70 THR N N 70 116.302 116.302 112.309 3.993 19586 9325 1 14 . 1 1 70 70 THR HA H 70 3.624 3.624 4.035 -0.411 19586 9326 1 14 . 1 1 70 70 THR CA C 70 63.843 63.843 65.206 -1.363 19586 9327 1 14 . 1 1 70 70 THR CB C 70 65.502 65.502 68.558 -3.056 19586 9328 1 14 . 1 1 70 70 THR H H 70 7.540 7.540 7.928 -0.388 19586 9329 1 14 . 1 1 71 71 MET N N 71 121.710 121.710 121.237 0.473 19586 9330 1 14 . 1 1 71 71 MET HA H 71 3.903 3.903 4.253 -0.350 19586 9331 1 14 . 1 1 71 71 MET CA C 71 56.303 56.303 57.940 -1.637 19586 9332 1 14 . 1 1 71 71 MET CB C 71 29.706 29.706 31.730 -2.024 19586 9333 1 14 . 1 1 71 71 MET H H 71 7.723 7.723 7.458 0.265 19586 9334 1 14 . 1 1 72 72 MET N N 72 116.535 116.535 117.833 -1.298 19586 9335 1 14 . 1 1 72 72 MET HA H 72 3.773 3.773 4.244 -0.471 19586 9336 1 14 . 1 1 72 72 MET CA C 72 53.307 53.307 57.905 -4.598 19586 9337 1 14 . 1 1 72 72 MET CB C 72 28.787 28.787 32.400 -3.612 19586 9338 1 14 . 1 1 72 72 MET H H 72 7.982 7.982 7.559 0.423 19586 9339 1 14 . 1 1 73 73 ALA N N 73 121.584 121.584 122.888 -1.304 19586 9340 1 14 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.063 -0.183 19586 9341 1 14 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.950 -2.856 19586 9342 1 14 . 1 1 73 73 ALA CB C 73 15.342 15.342 17.892 -2.550 19586 9343 1 14 . 1 1 73 73 ALA H H 73 8.074 8.074 7.500 0.574 19586 9344 1 14 . 1 1 74 74 ARG N N 74 115.784 115.784 118.427 -2.643 19586 9345 1 14 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.068 -0.165 19586 9346 1 14 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.582 -2.851 19586 9347 1 14 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.276 -2.288 19586 9348 1 14 . 1 1 74 74 ARG H H 74 7.358 7.358 7.808 -0.450 19586 9349 1 14 . 1 1 75 75 LYS N N 75 117.245 117.245 117.808 -0.563 19586 9350 1 14 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.238 -0.289 19586 9351 1 14 . 1 1 75 75 LYS CA C 75 53.947 53.947 58.014 -4.067 19586 9352 1 14 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.590 -6.191 19586 9353 1 14 . 1 1 75 75 LYS H H 75 7.640 7.640 7.721 -0.081 19586 9354 1 14 . 1 1 76 76 MET N N 76 117.971 117.971 120.412 -2.441 19586 9355 1 14 . 1 1 76 76 MET HA H 76 4.242 4.242 4.409 -0.167 19586 9356 1 14 . 1 1 76 76 MET CA C 76 53.947 53.947 54.825 -0.878 19586 9357 1 14 . 1 1 76 76 MET CB C 76 29.478 29.478 31.608 -2.130 19586 9358 1 14 . 1 1 76 76 MET H H 76 7.794 7.794 7.614 0.180 19586 9359 1 14 . 1 1 77 77 LYS N N 77 119.902 119.902 122.878 -2.976 19586 9360 1 14 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.362 -0.210 19586 9361 1 14 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.894 -1.611 19586 9362 1 14 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.286 -0.808 19586 9363 1 14 . 1 1 77 77 LYS H H 77 7.622 7.622 7.592 0.030 19586 9364 1 14 . 1 1 78 78 ASP N N 78 119.146 119.146 118.846 0.300 19586 9365 1 14 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.357 -0.114 19586 9366 1 14 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.927 -2.866 19586 9367 1 14 . 1 1 78 78 ASP H H 78 7.991 7.991 8.166 -0.175 19586 9368 1 14 . 1 1 79 79 THR N N 79 112.750 112.750 110.439 2.311 19586 9369 1 14 . 1 1 79 79 THR HA H 79 4.170 4.170 4.343 -0.173 19586 9370 1 14 . 1 1 79 79 THR CA C 79 59.030 59.030 61.624 -2.594 19586 9371 1 14 . 1 1 79 79 THR CB C 79 67.668 67.668 69.881 -2.213 19586 9372 1 14 . 1 1 79 79 THR H H 79 7.587 7.587 7.747 -0.160 19586 9373 1 14 . 1 1 80 80 ASP N N 80 122.888 122.888 122.038 0.850 19586 9374 1 14 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.710 -0.339 19586 9375 1 14 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.733 -3.883 19586 9376 1 14 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.283 -4.930 19586 9377 1 14 . 1 1 80 80 ASP H H 80 8.354 8.354 8.483 -0.129 19586 9378 1 14 . 1 1 81 81 SER N N 81 117.571 117.571 115.885 1.686 19586 9379 1 14 . 1 1 81 81 SER HA H 81 4.115 4.115 4.303 -0.188 19586 9380 1 14 . 1 1 81 81 SER CA C 81 57.717 57.717 61.582 -3.865 19586 9381 1 14 . 1 1 81 81 SER CB C 81 60.884 60.884 63.913 -3.029 19586 9382 1 14 . 1 1 81 81 SER H H 81 8.232 8.232 8.588 -0.356 19586 9383 1 14 . 1 1 82 82 GLU N N 82 121.860 121.860 121.445 0.415 19586 9384 1 14 . 1 1 82 82 GLU HA H 82 3.883 3.883 3.940 -0.057 19586 9385 1 14 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.927 -3.220 19586 9386 1 14 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.073 0.519 19586 9387 1 14 . 1 1 82 82 GLU H H 82 8.364 8.364 8.927 -0.563 19586 9388 1 14 . 1 1 83 83 GLU N N 83 119.398 119.398 117.552 1.846 19586 9389 1 14 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.115 -0.232 19586 9390 1 14 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.386 -2.780 19586 9391 1 14 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.310 0.054 19586 9392 1 14 . 1 1 83 83 GLU H H 83 8.032 8.032 8.883 -0.851 19586 9393 1 14 . 1 1 84 84 GLU N N 84 118.279 118.279 118.967 -0.688 19586 9394 1 14 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.330 -0.459 19586 9395 1 14 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.237 -1.631 19586 9396 1 14 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.620 -3.803 19586 9397 1 14 . 1 1 84 84 GLU H H 84 8.153 8.153 7.666 0.487 19586 9398 1 14 . 1 1 85 85 ILE N N 85 120.970 120.970 121.079 -0.109 19586 9399 1 14 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.930 -0.318 19586 9400 1 14 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.252 -0.813 19586 9401 1 14 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.504 -3.896 19586 9402 1 14 . 1 1 85 85 ILE H H 85 7.927 7.927 8.087 -0.160 19586 9403 1 14 . 1 1 86 86 ARG N N 86 121.766 121.766 119.253 2.513 19586 9404 1 14 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.256 -0.248 19586 9405 1 14 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.625 -2.110 19586 9406 1 14 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.084 -3.228 19586 9407 1 14 . 1 1 86 86 ARG H H 86 8.233 8.233 8.536 -0.303 19586 9408 1 14 . 1 1 87 87 GLU N N 87 118.369 118.369 119.139 -0.770 19586 9409 1 14 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.240 -0.338 19586 9410 1 14 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.133 -1.527 19586 9411 1 14 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.255 -3.438 19586 9412 1 14 . 1 1 87 87 GLU H H 87 8.156 8.156 7.871 0.285 19586 9413 1 14 . 1 1 88 88 ALA N N 88 120.337 120.337 120.493 -0.156 19586 9414 1 14 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.645 -0.696 19586 9415 1 14 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.725 -0.462 19586 9416 1 14 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.933 -4.853 19586 9417 1 14 . 1 1 88 88 ALA H H 88 7.877 7.877 7.637 0.240 19586 9418 1 14 . 1 1 89 89 PHE N N 89 118.191 118.191 122.180 -3.989 19586 9419 1 14 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.075 -0.960 19586 9420 1 14 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.995 -1.292 19586 9421 1 14 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.834 -3.060 19586 9422 1 14 . 1 1 89 89 PHE H H 89 8.459 8.459 8.502 -0.043 19586 9423 1 14 . 1 1 90 90 ARG N N 90 115.953 115.953 117.582 -1.629 19586 9424 1 14 . 1 1 90 90 ARG HA H 90 3.905 3.905 3.988 -0.083 19586 9425 1 14 . 1 1 90 90 ARG CA C 90 56.168 56.168 57.266 -1.098 19586 9426 1 14 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.332 -1.678 19586 9427 1 14 . 1 1 90 90 ARG H H 90 7.764 7.764 7.925 -0.161 19586 9428 1 14 . 1 1 91 91 VAL N N 91 118.202 118.202 117.141 1.061 19586 9429 1 14 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.979 -0.694 19586 9430 1 14 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.926 -1.569 19586 9431 1 14 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.468 -3.024 19586 9432 1 14 . 1 1 91 91 VAL H H 91 7.229 7.229 7.311 -0.082 19586 9433 1 14 . 1 1 92 92 PHE N N 92 112.447 112.447 119.029 -6.582 19586 9434 1 14 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.420 -0.475 19586 9435 1 14 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.505 -1.476 19586 9436 1 14 . 1 1 92 92 PHE CB C 92 38.838 38.838 39.988 -1.150 19586 9437 1 14 . 1 1 92 92 PHE H H 92 6.699 6.699 7.398 -0.699 19586 9438 1 14 . 1 1 93 93 ASP N N 93 116.461 116.461 118.427 -1.966 19586 9439 1 14 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.484 -0.008 19586 9440 1 14 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.129 -3.603 19586 9441 1 14 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.777 -5.594 19586 9442 1 14 . 1 1 93 93 ASP H H 93 7.881 7.881 8.154 -0.273 19586 9443 1 14 . 1 1 94 94 LYS N N 94 125.494 125.494 125.071 0.423 19586 9444 1 14 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.061 -0.393 19586 9445 1 14 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.292 -2.317 19586 9446 1 14 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.207 -0.793 19586 9447 1 14 . 1 1 94 94 LYS H H 94 7.596 7.596 8.476 -0.880 19586 9448 1 14 . 1 1 95 95 ASP N N 95 114.015 114.015 116.087 -2.072 19586 9449 1 14 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.697 -0.282 19586 9450 1 14 . 1 1 95 95 ASP CA C 95 50.307 50.307 55.129 -4.822 19586 9451 1 14 . 1 1 95 95 ASP CB C 95 36.774 36.774 44.112 -7.338 19586 9452 1 14 . 1 1 95 95 ASP H H 95 8.097 8.097 8.026 0.071 19586 9453 1 14 . 1 1 96 96 GLY N N 96 109.147 109.147 108.437 0.710 19586 9454 1 14 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.079 -0.735 19586 9455 1 14 . 1 1 96 96 GLY H H 96 7.677 7.677 8.332 -0.655 19586 9456 1 14 . 1 1 97 97 ASN N N 97 119.575 119.575 119.119 0.456 19586 9457 1 14 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.881 -0.381 19586 9458 1 14 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.761 -2.845 19586 9459 1 14 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.853 -3.670 19586 9460 1 14 . 1 1 97 97 ASN H H 97 8.252 8.252 7.840 0.412 19586 9461 1 14 . 1 1 98 98 GLY N N 98 112.465 112.465 107.312 5.153 19586 9462 1 14 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.964 -3.672 19586 9463 1 14 . 1 1 98 98 GLY H H 98 10.462 10.462 8.576 1.886 19586 9464 1 14 . 1 1 99 99 TYR N N 99 116.256 116.256 118.683 -2.427 19586 9465 1 14 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.936 -0.054 19586 9466 1 14 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.694 -3.112 19586 9467 1 14 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.760 -1.779 19586 9468 1 14 . 1 1 99 99 TYR H H 99 7.557 7.557 7.672 -0.115 19586 9469 1 14 . 1 1 100 100 ILE N N 100 126.957 126.957 122.142 4.815 19586 9470 1 14 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.633 -0.176 19586 9471 1 14 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.194 -1.578 19586 9472 1 14 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.319 -2.887 19586 9473 1 14 . 1 1 100 100 ILE H H 100 9.972 9.972 8.936 1.036 19586 9474 1 14 . 1 1 101 101 SER N N 101 123.739 123.739 122.274 1.465 19586 9475 1 14 . 1 1 101 101 SER HA H 101 4.711 4.711 4.367 0.344 19586 9476 1 14 . 1 1 101 101 SER CA C 101 52.897 52.897 58.670 -5.773 19586 9477 1 14 . 1 1 101 101 SER CB C 101 64.134 64.134 64.114 0.020 19586 9478 1 14 . 1 1 101 101 SER H H 101 8.844 8.844 8.266 0.578 19586 9479 1 14 . 1 1 102 102 ALA N N 102 123.028 123.028 127.825 -4.797 19586 9480 1 14 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.127 -0.416 19586 9481 1 14 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.171 -2.078 19586 9482 1 14 . 1 1 102 102 ALA CB C 102 15.114 15.114 19.148 -4.034 19586 9483 1 14 . 1 1 102 102 ALA H H 102 9.178 9.178 8.645 0.533 19586 9484 1 14 . 1 1 103 103 ALA N N 103 118.443 118.443 119.365 -0.922 19586 9485 1 14 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.228 -0.367 19586 9486 1 14 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.552 -0.143 19586 9487 1 14 . 1 1 103 103 ALA CB C 103 15.456 15.456 18.011 -2.555 19586 9488 1 14 . 1 1 103 103 ALA H H 103 8.132 8.132 8.301 -0.169 19586 9489 1 14 . 1 1 104 104 GLU N N 104 120.139 120.139 119.964 0.175 19586 9490 1 14 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.080 -0.241 19586 9491 1 14 . 1 1 104 104 GLU CA C 104 56.563 56.563 58.590 -2.027 19586 9492 1 14 . 1 1 104 104 GLU CB C 104 26.400 26.400 28.529 -2.129 19586 9493 1 14 . 1 1 104 104 GLU H H 104 7.786 7.786 7.701 0.085 19586 9494 1 14 . 1 1 105 105 LEU N N 105 121.545 121.545 120.516 1.029 19586 9495 1 14 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.874 0.028 19586 9496 1 14 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.391 -1.659 19586 9497 1 14 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.530 -1.321 19586 9498 1 14 . 1 1 105 105 LEU H H 105 8.240 8.240 7.691 0.549 19586 9499 1 14 . 1 1 106 106 ARG N N 106 118.625 118.625 116.436 2.189 19586 9500 1 14 . 1 1 106 106 ARG HA H 106 3.839 3.839 4.016 -0.177 19586 9501 1 14 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.077 -1.732 19586 9502 1 14 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.431 0.959 19586 9503 1 14 . 1 1 106 106 ARG H H 106 8.761 8.761 8.010 0.751 19586 9504 1 14 . 1 1 107 107 HIS N N 107 119.052 119.052 117.954 1.098 19586 9505 1 14 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.385 -0.483 19586 9506 1 14 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.529 -2.722 19586 9507 1 14 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.930 -3.732 19586 9508 1 14 . 1 1 107 107 HIS H H 107 7.946 7.946 7.394 0.551 19586 9509 1 14 . 1 1 108 108 VAL N N 108 119.160 119.160 119.573 -0.413 19586 9510 1 14 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.777 -0.335 19586 9511 1 14 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.191 -1.906 19586 9512 1 14 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.865 -2.957 19586 9513 1 14 . 1 1 108 108 VAL H H 108 7.736 7.736 8.865 -1.129 19586 9514 1 14 . 1 1 109 109 MET N N 109 115.333 115.333 118.852 -3.519 19586 9515 1 14 . 1 1 109 109 MET HA H 109 4.139 4.139 4.087 0.052 19586 9516 1 14 . 1 1 109 109 MET CA C 109 54.686 54.686 57.323 -2.637 19586 9517 1 14 . 1 1 109 109 MET CB C 109 29.706 29.706 30.988 -1.282 19586 9518 1 14 . 1 1 109 109 MET H H 109 8.074 8.074 7.919 0.155 19586 9519 1 14 . 1 1 110 110 THR N N 110 116.714 116.714 114.901 1.813 19586 9520 1 14 . 1 1 110 110 THR HA H 110 3.935 3.935 4.164 -0.229 19586 9521 1 14 . 1 1 110 110 THR CA C 110 63.845 63.845 65.819 -1.974 19586 9522 1 14 . 1 1 110 110 THR CB C 110 66.072 66.072 68.365 -2.293 19586 9523 1 14 . 1 1 110 110 THR H H 110 8.515 8.515 7.699 0.816 19586 9524 1 14 . 1 1 111 111 ASN N N 111 123.784 123.784 119.789 3.995 19586 9525 1 14 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.578 -0.336 19586 9526 1 14 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.160 -2.067 19586 9527 1 14 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.630 -3.338 19586 9528 1 14 . 1 1 111 111 ASN H H 111 7.890 7.890 7.647 0.243 19586 9529 1 14 . 1 1 112 112 LEU N N 112 118.227 118.227 114.922 3.305 19586 9530 1 14 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.241 -0.126 19586 9531 1 14 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.133 -2.480 19586 9532 1 14 . 1 1 112 112 LEU CB C 112 39.738 39.738 40.962 -1.224 19586 9533 1 14 . 1 1 112 112 LEU H H 112 7.621 7.621 7.199 0.422 19586 9534 1 14 . 1 1 113 113 GLY N N 113 106.787 106.787 105.243 1.544 19586 9535 1 14 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.917 -2.381 19586 9536 1 14 . 1 1 113 113 GLY H H 113 7.701 7.701 7.533 0.168 19586 9537 1 14 . 1 1 114 114 GLU N N 114 120.288 120.288 119.106 1.182 19586 9538 1 14 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.503 -0.261 19586 9539 1 14 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.785 -1.718 19586 9540 1 14 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.193 -3.577 19586 9541 1 14 . 1 1 114 114 GLU H H 114 7.864 7.864 7.643 0.221 19586 9542 1 14 . 1 1 115 115 LYS N N 115 124.987 124.987 125.887 -0.900 19586 9543 1 14 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.227 -0.004 19586 9544 1 14 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.389 -3.541 19586 9545 1 14 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.369 -0.412 19586 9546 1 14 . 1 1 115 115 LYS H H 115 8.491 8.491 8.442 0.049 19586 9547 1 14 . 1 1 116 116 LEU N N 116 124.912 124.912 122.777 2.135 19586 9548 1 14 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.713 -0.001 19586 9549 1 14 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.057 -1.968 19586 9550 1 14 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.965 -1.377 19586 9551 1 14 . 1 1 116 116 LEU H H 116 7.978 7.978 7.850 0.128 19586 9552 1 14 . 1 1 117 117 THR N N 117 114.220 114.220 114.826 -0.606 19586 9553 1 14 . 1 1 117 117 THR HA H 117 4.302 4.302 4.276 0.026 19586 9554 1 14 . 1 1 117 117 THR CA C 117 57.834 57.834 60.705 -2.871 19586 9555 1 14 . 1 1 117 117 THR CB C 117 68.580 68.580 70.489 -1.909 19586 9556 1 14 . 1 1 117 117 THR H H 117 9.093 9.093 8.159 0.934 19586 9557 1 14 . 1 1 118 118 ASP N N 118 120.925 120.925 120.652 0.273 19586 9558 1 14 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.240 -0.182 19586 9559 1 14 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.222 -2.979 19586 9560 1 14 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.922 -3.920 19586 9561 1 14 . 1 1 118 118 ASP H H 118 8.764 8.764 8.632 0.132 19586 9562 1 14 . 1 1 119 119 GLU N N 119 119.395 119.395 118.029 1.366 19586 9563 1 14 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.952 -0.025 19586 9564 1 14 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.285 -2.135 19586 9565 1 14 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.890 -2.959 19586 9566 1 14 . 1 1 119 119 GLU H H 119 8.509 8.509 8.669 -0.160 19586 9567 1 14 . 1 1 120 120 GLU N N 120 119.909 119.909 118.807 1.102 19586 9568 1 14 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.192 -0.296 19586 9569 1 14 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.660 -2.341 19586 9570 1 14 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.798 -3.968 19586 9571 1 14 . 1 1 120 120 GLU H H 120 7.585 7.585 7.690 -0.105 19586 9572 1 14 . 1 1 121 121 VAL N N 121 122.092 122.092 117.116 4.976 19586 9573 1 14 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.877 -0.435 19586 9574 1 14 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.474 -1.384 19586 9575 1 14 . 1 1 121 121 VAL CB C 121 28.680 28.680 30.896 -2.216 19586 9576 1 14 . 1 1 121 121 VAL H H 121 7.849 7.849 7.165 0.684 19586 9577 1 14 . 1 1 122 122 ASP N N 122 120.167 120.167 121.427 -1.260 19586 9578 1 14 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.318 -0.161 19586 9579 1 14 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.471 -3.570 19586 9580 1 14 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.910 -3.338 19586 9581 1 14 . 1 1 122 122 ASP H H 122 7.912 7.912 8.809 -0.897 19586 9582 1 14 . 1 1 123 123 GLU N N 123 119.087 119.087 118.859 0.228 19586 9583 1 14 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.105 -0.209 19586 9584 1 14 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.959 -2.348 19586 9585 1 14 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.653 -3.481 19586 9586 1 14 . 1 1 123 123 GLU H H 123 7.839 7.839 7.689 0.150 19586 9587 1 14 . 1 1 124 124 MET N N 124 118.897 118.897 118.124 0.773 19586 9588 1 14 . 1 1 124 124 MET HA H 124 3.867 3.867 4.247 -0.380 19586 9589 1 14 . 1 1 124 124 MET CA C 124 56.905 56.905 59.189 -2.284 19586 9590 1 14 . 1 1 124 124 MET CB C 124 29.250 29.250 33.239 -3.989 19586 9591 1 14 . 1 1 124 124 MET H H 124 7.433 7.433 7.456 -0.023 19586 9592 1 14 . 1 1 125 125 ILE N N 125 118.001 118.001 115.488 2.513 19586 9593 1 14 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.002 -0.622 19586 9594 1 14 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.130 -3.999 19586 9595 1 14 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.721 -4.481 19586 9596 1 14 . 1 1 125 125 ILE H H 125 7.658 7.658 8.538 -0.880 19586 9597 1 14 . 1 1 126 126 ARG N N 126 117.720 117.720 119.370 -1.650 19586 9598 1 14 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.122 -0.239 19586 9599 1 14 . 1 1 126 126 ARG CA C 126 56.673 56.673 58.606 -1.933 19586 9600 1 14 . 1 1 126 126 ARG CB C 126 29.478 29.478 29.752 -0.274 19586 9601 1 14 . 1 1 126 126 ARG H H 126 7.974 7.974 8.288 -0.314 19586 9602 1 14 . 1 1 127 127 GLU N N 127 117.050 117.050 117.118 -0.068 19586 9603 1 14 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.234 -0.267 19586 9604 1 14 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.252 -1.933 19586 9605 1 14 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.673 -3.387 19586 9606 1 14 . 1 1 127 127 GLU H H 127 7.635 7.635 7.634 0.001 19586 9607 1 14 . 1 1 128 128 ALA N N 128 116.966 116.966 120.320 -3.354 19586 9608 1 14 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.402 0.098 19586 9609 1 14 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.011 -3.805 19586 9610 1 14 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.250 -0.145 19586 9611 1 14 . 1 1 128 128 ALA H H 128 7.155 7.155 7.298 -0.143 19586 9612 1 14 . 1 1 129 129 ASP N N 129 118.033 118.033 118.965 -0.932 19586 9613 1 14 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.884 -0.533 19586 9614 1 14 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.193 -1.371 19586 9615 1 14 . 1 1 129 129 ASP CB C 129 37.686 37.686 42.452 -4.766 19586 9616 1 14 . 1 1 129 129 ASP H H 129 7.806 7.806 7.647 0.159 19586 9617 1 14 . 1 1 130 130 ILE N N 130 127.927 127.927 122.429 5.498 19586 9618 1 14 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.103 -0.306 19586 9619 1 14 . 1 1 130 130 ILE CA C 130 60.522 60.522 63.068 -2.546 19586 9620 1 14 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.096 -2.006 19586 9621 1 14 . 1 1 130 130 ILE H H 130 8.115 8.115 8.468 -0.353 19586 9622 1 14 . 1 1 131 131 ASP N N 131 116.634 116.634 119.240 -2.606 19586 9623 1 14 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.654 -0.311 19586 9624 1 14 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.319 -2.132 19586 9625 1 14 . 1 1 131 131 ASP CB C 131 37.468 37.468 40.756 -3.288 19586 9626 1 14 . 1 1 131 131 ASP H H 131 8.202 8.202 8.114 0.088 19586 9627 1 14 . 1 1 132 132 GLY N N 132 108.586 108.586 108.477 0.109 19586 9628 1 14 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.965 -1.327 19586 9629 1 14 . 1 1 132 132 GLY H H 132 7.535 7.535 7.479 0.056 19586 9630 1 14 . 1 1 133 133 ASP N N 133 120.377 120.377 118.231 2.146 19586 9631 1 14 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.593 -0.242 19586 9632 1 14 . 1 1 133 133 ASP CA C 133 50.942 50.942 53.778 -2.836 19586 9633 1 14 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.299 -3.841 19586 9634 1 14 . 1 1 133 133 ASP H H 133 8.215 8.215 8.650 -0.435 19586 9635 1 14 . 1 1 134 134 GLY N N 134 112.226 112.226 106.218 6.008 19586 9636 1 14 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.198 -2.076 19586 9637 1 14 . 1 1 134 134 GLY H H 134 9.971 9.971 8.407 1.564 19586 9638 1 14 . 1 1 135 135 GLN N N 135 115.229 115.229 117.138 -1.909 19586 9639 1 14 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.862 -0.731 19586 9640 1 14 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.485 -4.031 19586 9641 1 14 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.139 -3.525 19586 9642 1 14 . 1 1 135 135 GLN H H 135 7.835 7.835 7.886 -0.051 19586 9643 1 14 . 1 1 136 136 VAL N N 136 125.238 125.238 121.275 3.963 19586 9644 1 14 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.450 0.646 19586 9645 1 14 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.348 -1.635 19586 9646 1 14 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.876 -1.460 19586 9647 1 14 . 1 1 136 136 VAL H H 136 8.958 8.958 8.968 -0.010 19586 9648 1 14 . 1 1 137 137 ASN N N 137 129.058 129.058 125.838 3.220 19586 9649 1 14 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.905 0.321 19586 9650 1 14 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.259 -3.907 19586 9651 1 14 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.153 -3.513 19586 9652 1 14 . 1 1 137 137 ASN H H 137 9.435 9.435 8.648 0.787 19586 9653 1 14 . 1 1 138 138 TYR N N 138 118.627 118.627 118.342 0.285 19586 9654 1 14 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.193 -1.001 19586 9655 1 14 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.117 -1.448 19586 9656 1 14 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.567 0.005 19586 9657 1 14 . 1 1 138 138 TYR H H 138 8.146 8.146 7.663 0.483 19586 9658 1 14 . 1 1 139 139 GLU N N 139 118.701 118.701 119.087 -0.386 19586 9659 1 14 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.906 -0.395 19586 9660 1 14 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.475 -1.935 19586 9661 1 14 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.581 -2.307 19586 9662 1 14 . 1 1 139 139 GLU H H 139 7.974 7.974 7.947 0.027 19586 9663 1 14 . 1 1 140 140 GLU N N 140 119.774 119.774 118.574 1.200 19586 9664 1 14 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.212 -0.301 19586 9665 1 14 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.252 -2.227 19586 9666 1 14 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.759 -3.485 19586 9667 1 14 . 1 1 140 140 GLU H H 140 8.676 8.676 7.836 0.840 19586 9668 1 14 . 1 1 141 141 PHE N N 141 124.074 124.074 120.530 3.544 19586 9669 1 14 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.219 -0.572 19586 9670 1 14 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.793 -1.346 19586 9671 1 14 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.341 -1.655 19586 9672 1 14 . 1 1 141 141 PHE H H 141 8.507 8.507 7.612 0.895 19586 9673 1 14 . 1 1 142 142 VAL N N 142 119.203 119.203 115.654 3.549 19586 9674 1 14 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.487 -0.529 19586 9675 1 14 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.665 -1.234 19586 9676 1 14 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.590 -1.682 19586 9677 1 14 . 1 1 142 142 VAL H H 142 8.639 8.639 7.397 1.242 19586 9678 1 14 . 1 1 143 143 GLN N N 143 120.173 120.173 119.571 0.602 19586 9679 1 14 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.014 -0.343 19586 9680 1 14 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.814 -2.300 19586 9681 1 14 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.083 -2.837 19586 9682 1 14 . 1 1 143 143 GLN H H 143 7.818 7.818 7.736 0.082 19586 9683 1 14 . 1 1 144 144 MET N N 144 118.573 118.573 117.928 0.645 19586 9684 1 14 . 1 1 144 144 MET HA H 144 3.882 3.882 4.234 -0.351 19586 9685 1 14 . 1 1 144 144 MET CA C 144 55.683 55.683 58.230 -2.547 19586 9686 1 14 . 1 1 144 144 MET CB C 144 28.110 28.110 32.195 -4.085 19586 9687 1 14 . 1 1 144 144 MET H H 144 7.403 7.403 7.368 0.035 19586 9688 1 14 . 1 1 145 145 MET N N 145 114.053 114.053 116.896 -2.843 19586 9689 1 14 . 1 1 145 145 MET HA H 145 3.940 3.940 4.217 -0.277 19586 9690 1 14 . 1 1 145 145 MET CA C 145 53.630 53.630 58.307 -4.677 19586 9691 1 14 . 1 1 145 145 MET CB C 145 29.592 29.592 32.940 -3.348 19586 9692 1 14 . 1 1 145 145 MET H H 145 7.534 7.534 7.535 -0.001 19586 9693 1 14 . 1 1 146 146 THR N N 146 109.275 109.275 114.428 -5.153 19586 9694 1 14 . 1 1 146 146 THR HA H 146 4.175 4.175 4.032 0.143 19586 9695 1 14 . 1 1 146 146 THR CA C 146 59.251 59.251 64.349 -5.098 19586 9696 1 14 . 1 1 146 146 THR CB C 146 67.896 67.896 69.053 -1.157 19586 9697 1 14 . 1 1 146 146 THR H H 146 7.554 7.554 7.806 -0.252 19586 9698 1 14 . 1 1 147 147 ALA N N 147 126.913 126.913 122.719 4.194 19586 9699 1 14 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.512 -0.395 19586 9700 1 14 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.054 -0.747 19586 9701 1 14 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.904 -3.568 19586 9702 1 14 . 1 1 147 147 ALA H H 147 7.406 7.406 7.291 0.115 19586 9703 1 15 . 1 1 2 2 ASP N N 2 120.378 120.378 121.929 -1.551 19586 9704 1 15 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.817 -0.232 19586 9705 1 15 . 1 1 2 2 ASP CA C 2 51.960 51.960 53.841 -1.881 19586 9706 1 15 . 1 1 2 2 ASP H H 2 8.506 8.506 8.373 0.133 19586 9707 1 15 . 1 1 3 3 GLN N N 3 119.707 119.707 120.186 -0.479 19586 9708 1 15 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.699 -0.487 19586 9709 1 15 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.180 -2.445 19586 9710 1 15 . 1 1 3 3 GLN CB C 3 31.074 31.074 32.093 -1.019 19586 9711 1 15 . 1 1 3 3 GLN H H 3 8.208 8.208 8.593 -0.385 19586 9712 1 15 . 1 1 4 4 LEU N N 4 123.069 123.069 122.580 0.489 19586 9713 1 15 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.588 -0.448 19586 9714 1 15 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.379 -3.721 19586 9715 1 15 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.306 -2.682 19586 9716 1 15 . 1 1 4 4 LEU H H 4 8.181 8.181 8.652 -0.471 19586 9717 1 15 . 1 1 5 5 THR N N 5 112.909 112.909 113.278 -0.369 19586 9718 1 15 . 1 1 5 5 THR HA H 5 4.322 4.322 4.296 0.026 19586 9719 1 15 . 1 1 5 5 THR CA C 5 57.687 57.687 64.804 -7.117 19586 9720 1 15 . 1 1 5 5 THR CB C 5 68.580 68.580 68.636 -0.056 19586 9721 1 15 . 1 1 5 5 THR H H 5 8.607 8.607 7.914 0.693 19586 9722 1 15 . 1 1 6 6 GLU N N 6 120.224 120.224 122.135 -1.911 19586 9723 1 15 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.103 -0.278 19586 9724 1 15 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.885 -2.638 19586 9725 1 15 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.358 -0.222 19586 9726 1 15 . 1 1 6 6 GLU H H 6 8.877 8.877 8.447 0.430 19586 9727 1 15 . 1 1 7 7 GLU N N 7 119.350 119.350 116.581 2.769 19586 9728 1 15 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.160 -0.243 19586 9729 1 15 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.269 -1.071 19586 9730 1 15 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.487 -3.213 19586 9731 1 15 . 1 1 7 7 GLU H H 7 8.524 8.524 8.488 0.036 19586 9732 1 15 . 1 1 8 8 GLN N N 8 119.917 119.917 117.330 2.587 19586 9733 1 15 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.273 -0.370 19586 9734 1 15 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.951 -1.975 19586 9735 1 15 . 1 1 8 8 GLN CB C 8 26.400 26.400 30.197 -3.797 19586 9736 1 15 . 1 1 8 8 GLN H H 8 7.603 7.603 8.063 -0.460 19586 9737 1 15 . 1 1 9 9 ILE N N 9 119.503 119.503 113.494 6.009 19586 9738 1 15 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.786 -1.147 19586 9739 1 15 . 1 1 9 9 ILE CA C 9 63.796 63.796 59.675 4.121 19586 9740 1 15 . 1 1 9 9 ILE CB C 9 35.178 35.178 37.103 -1.925 19586 9741 1 15 . 1 1 9 9 ILE H H 9 8.260 8.260 7.662 0.598 19586 9742 1 15 . 1 1 10 10 ALA N N 10 121.044 121.044 128.387 -7.343 19586 9743 1 15 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.286 -0.325 19586 9744 1 15 . 1 1 10 10 ALA CA C 10 52.702 52.702 52.942 -0.240 19586 9745 1 15 . 1 1 10 10 ALA CB C 10 15.114 15.114 20.079 -4.965 19586 9746 1 15 . 1 1 10 10 ALA H H 10 7.840 7.840 8.199 -0.359 19586 9747 1 15 . 1 1 11 11 GLU N N 11 119.113 119.113 120.858 -1.745 19586 9748 1 15 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.313 -0.405 19586 9749 1 15 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.871 -1.308 19586 9750 1 15 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.769 -3.369 19586 9751 1 15 . 1 1 11 11 GLU H H 11 7.635 7.635 8.186 -0.551 19586 9752 1 15 . 1 1 12 12 PHE N N 12 119.574 119.574 116.581 2.993 19586 9753 1 15 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.466 0.320 19586 9754 1 15 . 1 1 12 12 PHE CA C 12 56.954 56.954 59.709 -2.755 19586 9755 1 15 . 1 1 12 12 PHE CB C 12 35.064 35.064 38.184 -3.120 19586 9756 1 15 . 1 1 12 12 PHE H H 12 8.441 8.441 7.827 0.614 19586 9757 1 15 . 1 1 13 13 LYS N N 13 123.454 123.454 119.645 3.809 19586 9758 1 15 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.233 -0.330 19586 9759 1 15 . 1 1 13 13 LYS CA C 13 57.296 57.296 57.565 -0.269 19586 9760 1 15 . 1 1 13 13 LYS CB C 13 29.592 29.592 31.686 -2.094 19586 9761 1 15 . 1 1 13 13 LYS H H 13 9.103 9.103 6.886 2.217 19586 9762 1 15 . 1 1 14 14 GLU N N 14 119.525 119.525 117.502 2.023 19586 9763 1 15 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.302 -0.391 19586 9764 1 15 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.554 -1.089 19586 9765 1 15 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.034 -3.532 19586 9766 1 15 . 1 1 14 14 GLU H H 14 7.667 7.667 7.996 -0.329 19586 9767 1 15 . 1 1 15 15 ALA N N 15 121.983 121.983 122.594 -0.611 19586 9768 1 15 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.288 -0.327 19586 9769 1 15 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.835 -2.084 19586 9770 1 15 . 1 1 15 15 ALA CB C 15 15.228 15.228 19.162 -3.933 19586 9771 1 15 . 1 1 15 15 ALA H H 15 7.816 7.816 7.959 -0.143 19586 9772 1 15 . 1 1 16 16 PHE N N 16 118.874 118.874 119.535 -0.661 19586 9773 1 15 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.354 -1.259 19586 9774 1 15 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.433 -0.889 19586 9775 1 15 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.291 -2.517 19586 9776 1 15 . 1 1 16 16 PHE H H 16 8.764 8.764 8.613 0.151 19586 9777 1 15 . 1 1 17 17 SER N N 17 111.578 111.578 112.740 -1.162 19586 9778 1 15 . 1 1 17 17 SER HA H 17 3.979 3.979 4.230 -0.251 19586 9779 1 15 . 1 1 17 17 SER CA C 17 58.567 58.567 60.420 -1.853 19586 9780 1 15 . 1 1 17 17 SER CB C 17 60.600 60.600 63.097 -2.497 19586 9781 1 15 . 1 1 17 17 SER H H 17 7.825 7.825 8.629 -0.804 19586 9782 1 15 . 1 1 18 18 LEU N N 18 121.167 121.167 120.829 0.338 19586 9783 1 15 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.987 -0.040 19586 9784 1 15 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.322 -2.714 19586 9785 1 15 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.154 -2.516 19586 9786 1 15 . 1 1 18 18 LEU H H 18 7.240 7.240 7.463 -0.223 19586 9787 1 15 . 1 1 19 19 PHE N N 19 114.405 114.405 115.338 -0.933 19586 9788 1 15 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.761 -0.850 19586 9789 1 15 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.365 -2.118 19586 9790 1 15 . 1 1 19 19 PHE CB C 19 33.810 33.810 40.115 -6.305 19586 9791 1 15 . 1 1 19 19 PHE H H 19 7.090 7.090 7.459 -0.369 19586 9792 1 15 . 1 1 20 20 ASP N N 20 115.823 115.823 120.083 -4.260 19586 9793 1 15 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.558 -0.082 19586 9794 1 15 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.617 -5.141 19586 9795 1 15 . 1 1 20 20 ASP CB C 20 36.782 36.782 38.957 -2.175 19586 9796 1 15 . 1 1 20 20 ASP H H 20 7.662 7.662 7.832 -0.170 19586 9797 1 15 . 1 1 21 21 LYS N N 21 124.906 124.906 123.258 1.648 19586 9798 1 15 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.125 -0.339 19586 9799 1 15 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.070 -2.045 19586 9800 1 15 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.348 -2.648 19586 9801 1 15 . 1 1 21 21 LYS H H 21 7.539 7.539 8.039 -0.500 19586 9802 1 15 . 1 1 22 22 ASP N N 22 113.550 113.550 118.153 -4.603 19586 9803 1 15 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.640 -0.209 19586 9804 1 15 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.504 -5.539 19586 9805 1 15 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.638 -4.864 19586 9806 1 15 . 1 1 22 22 ASP H H 22 7.965 7.965 7.568 0.397 19586 9807 1 15 . 1 1 23 23 GLY N N 23 109.354 109.354 107.413 1.941 19586 9808 1 15 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.026 -1.584 19586 9809 1 15 . 1 1 23 23 GLY H H 23 7.606 7.606 8.651 -1.045 19586 9810 1 15 . 1 1 24 24 ASP N N 24 120.643 120.643 121.072 -0.429 19586 9811 1 15 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.755 -0.400 19586 9812 1 15 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.316 -3.276 19586 9813 1 15 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.184 -3.498 19586 9814 1 15 . 1 1 24 24 ASP H H 24 8.266 8.266 8.480 -0.214 19586 9815 1 15 . 1 1 25 25 GLY N N 25 113.205 113.205 107.290 5.915 19586 9816 1 15 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.264 -2.581 19586 9817 1 15 . 1 1 25 25 GLY H H 25 10.545 10.545 8.163 2.382 19586 9818 1 15 . 1 1 26 26 THR N N 26 112.852 112.852 109.098 3.754 19586 9819 1 15 . 1 1 26 26 THR HA H 26 5.170 5.170 5.673 -0.503 19586 9820 1 15 . 1 1 26 26 THR CA C 26 56.954 56.954 59.077 -2.123 19586 9821 1 15 . 1 1 26 26 THR CB C 26 69.948 69.948 72.125 -2.177 19586 9822 1 15 . 1 1 26 26 THR H H 26 8.020 8.020 7.501 0.519 19586 9823 1 15 . 1 1 27 27 ILE N N 27 127.005 127.005 118.165 8.840 19586 9824 1 15 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.590 -0.763 19586 9825 1 15 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.487 -1.556 19586 9826 1 15 . 1 1 27 27 ILE CB C 27 37.230 37.230 40.077 -2.847 19586 9827 1 15 . 1 1 27 27 ILE H H 27 9.689 9.689 7.864 1.825 19586 9828 1 15 . 1 1 28 28 THR N N 28 116.439 116.439 119.167 -2.728 19586 9829 1 15 . 1 1 28 28 THR HA H 28 4.642 4.642 4.298 0.344 19586 9830 1 15 . 1 1 28 28 THR CA C 28 56.612 56.612 62.370 -5.758 19586 9831 1 15 . 1 1 28 28 THR CB C 28 69.606 69.606 69.476 0.130 19586 9832 1 15 . 1 1 28 28 THR H H 28 8.275 8.275 8.435 -0.160 19586 9833 1 15 . 1 1 29 29 THR N N 29 113.287 113.287 114.868 -1.581 19586 9834 1 15 . 1 1 29 29 THR HA H 29 3.635 3.635 4.227 -0.592 19586 9835 1 15 . 1 1 29 29 THR CA C 29 63.845 63.845 63.327 0.519 19586 9836 1 15 . 1 1 29 29 THR CB C 29 65.616 65.616 68.969 -3.353 19586 9837 1 15 . 1 1 29 29 THR H H 29 9.054 9.054 8.481 0.573 19586 9838 1 15 . 1 1 30 30 LYS N N 30 121.230 121.230 121.812 -0.582 19586 9839 1 15 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.199 -0.296 19586 9840 1 15 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.697 -2.232 19586 9841 1 15 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.580 -2.880 19586 9842 1 15 . 1 1 30 30 LYS H H 30 7.578 7.578 7.970 -0.392 19586 9843 1 15 . 1 1 31 31 GLU N N 31 122.002 122.002 118.056 3.946 19586 9844 1 15 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.271 -0.408 19586 9845 1 15 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.373 -0.224 19586 9846 1 15 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.039 -1.981 19586 9847 1 15 . 1 1 31 31 GLU H H 31 7.712 7.712 8.336 -0.624 19586 9848 1 15 . 1 1 32 32 LEU N N 32 119.130 119.130 117.686 1.444 19586 9849 1 15 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.144 -0.219 19586 9850 1 15 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.187 -0.658 19586 9851 1 15 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.236 -0.255 19586 9852 1 15 . 1 1 32 32 LEU H H 32 8.509 8.509 7.677 0.832 19586 9853 1 15 . 1 1 33 33 GLY N N 33 103.747 103.747 104.902 -1.155 19586 9854 1 15 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.577 0.087 19586 9855 1 15 . 1 1 33 33 GLY H H 33 8.388 8.388 7.855 0.533 19586 9856 1 15 . 1 1 34 34 THR N N 34 117.487 117.487 114.999 2.488 19586 9857 1 15 . 1 1 34 34 THR HA H 34 3.795 3.795 4.305 -0.510 19586 9858 1 15 . 1 1 34 34 THR CA C 34 64.285 64.285 62.574 1.711 19586 9859 1 15 . 1 1 34 34 THR CB C 34 66.186 66.186 68.975 -2.789 19586 9860 1 15 . 1 1 34 34 THR H H 34 7.935 7.935 7.572 0.363 19586 9861 1 15 . 1 1 35 35 VAL N N 35 120.287 120.287 121.192 -0.905 19586 9862 1 15 . 1 1 35 35 VAL H H 35 7.089 7.089 7.800 -0.711 19586 9863 1 15 . 1 1 36 36 MET N N 36 117.816 117.816 116.281 1.535 19586 9864 1 15 . 1 1 36 36 MET HA H 36 3.911 3.911 4.210 -0.299 19586 9865 1 15 . 1 1 36 36 MET CA C 36 57.101 57.101 58.424 -1.323 19586 9866 1 15 . 1 1 36 36 MET CB C 36 29.929 29.929 33.025 -3.096 19586 9867 1 15 . 1 1 36 36 MET H H 36 8.318 8.318 7.659 0.659 19586 9868 1 15 . 1 1 37 37 ARG N N 37 117.706 117.706 119.286 -1.580 19586 9869 1 15 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.198 0.500 19586 9870 1 15 . 1 1 37 37 ARG CA C 37 56.172 56.172 57.585 -1.413 19586 9871 1 15 . 1 1 37 37 ARG CB C 37 27.084 27.084 30.792 -3.708 19586 9872 1 15 . 1 1 37 37 ARG H H 37 8.233 8.233 7.710 0.523 19586 9873 1 15 . 1 1 38 38 SER N N 38 118.974 118.974 110.463 8.511 19586 9874 1 15 . 1 1 38 38 SER HA H 38 4.187 4.187 4.118 0.069 19586 9875 1 15 . 1 1 38 38 SER CA C 38 59.251 59.251 60.108 -0.857 19586 9876 1 15 . 1 1 38 38 SER CB C 38 67.782 67.782 61.882 5.900 19586 9877 1 15 . 1 1 38 38 SER H H 38 7.874 7.874 8.968 -1.094 19586 9878 1 15 . 1 1 39 39 LEU N N 39 118.835 118.835 122.766 -3.931 19586 9879 1 15 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.534 -0.395 19586 9880 1 15 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.804 -3.471 19586 9881 1 15 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.577 -2.939 19586 9882 1 15 . 1 1 39 39 LEU H H 39 7.248 7.248 7.292 -0.044 19586 9883 1 15 . 1 1 40 40 GLY N N 40 104.990 104.990 107.108 -2.118 19586 9884 1 15 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.760 -2.882 19586 9885 1 15 . 1 1 40 40 GLY H H 40 7.471 7.471 8.520 -1.049 19586 9886 1 15 . 1 1 41 41 GLN N N 41 118.032 118.032 117.991 0.041 19586 9887 1 15 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.538 -0.168 19586 9888 1 15 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.616 -3.429 19586 9889 1 15 . 1 1 41 41 GLN CB C 41 30.618 30.618 30.838 -0.220 19586 9890 1 15 . 1 1 41 41 GLN H H 41 7.860 7.860 8.043 -0.183 19586 9891 1 15 . 1 1 42 42 ASN N N 42 115.671 115.671 116.218 -0.547 19586 9892 1 15 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.096 -0.002 19586 9893 1 15 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.491 -1.797 19586 9894 1 15 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.734 -3.180 19586 9895 1 15 . 1 1 42 42 ASN H H 42 8.561 8.561 8.374 0.187 19586 9896 1 15 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.631 0.080 19586 9897 1 15 . 1 1 44 44 THR N N 44 113.509 113.509 119.474 -5.965 19586 9898 1 15 . 1 1 44 44 THR HA H 44 4.321 4.321 4.365 -0.044 19586 9899 1 15 . 1 1 44 44 THR CA C 44 57.638 57.638 61.870 -4.232 19586 9900 1 15 . 1 1 44 44 THR CB C 44 68.466 68.466 68.334 0.132 19586 9901 1 15 . 1 1 44 44 THR H H 44 8.882 8.882 8.192 0.690 19586 9902 1 15 . 1 1 45 45 GLU N N 45 120.506 120.506 127.435 -6.929 19586 9903 1 15 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.987 -0.107 19586 9904 1 15 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.190 -2.089 19586 9905 1 15 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.359 -3.085 19586 9906 1 15 . 1 1 45 45 GLU H H 45 8.662 8.662 8.239 0.423 19586 9907 1 15 . 1 1 46 46 ALA N N 46 120.586 120.586 122.228 -1.642 19586 9908 1 15 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.299 -0.374 19586 9909 1 15 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.365 -2.054 19586 9910 1 15 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.472 -3.392 19586 9911 1 15 . 1 1 46 46 ALA H H 46 8.139 8.139 8.277 -0.138 19586 9912 1 15 . 1 1 47 47 GLU N N 47 118.171 118.171 118.127 0.044 19586 9913 1 15 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.185 -0.309 19586 9914 1 15 . 1 1 47 47 GLU CA C 47 56.270 56.270 57.640 -1.370 19586 9915 1 15 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.386 -3.100 19586 9916 1 15 . 1 1 47 47 GLU H H 47 7.597 7.597 8.580 -0.983 19586 9917 1 15 . 1 1 48 48 LEU N N 48 120.228 120.228 116.149 4.079 19586 9918 1 15 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.251 -0.324 19586 9919 1 15 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.690 -2.642 19586 9920 1 15 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.422 -0.441 19586 9921 1 15 . 1 1 48 48 LEU H H 48 7.848 7.848 7.581 0.267 19586 9922 1 15 . 1 1 49 49 GLN N N 49 117.910 117.910 118.873 -0.963 19586 9923 1 15 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.052 -0.151 19586 9924 1 15 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.755 -3.023 19586 9925 1 15 . 1 1 49 49 GLN CB C 49 27.882 27.882 27.985 -0.103 19586 9926 1 15 . 1 1 49 49 GLN H H 49 8.037 8.037 8.310 -0.273 19586 9927 1 15 . 1 1 50 50 ASP N N 50 119.284 119.284 116.015 3.269 19586 9928 1 15 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.550 -0.393 19586 9929 1 15 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.057 -1.351 19586 9930 1 15 . 1 1 50 50 ASP CB C 50 37.572 37.572 41.243 -3.671 19586 9931 1 15 . 1 1 50 50 ASP H H 50 8.010 8.010 8.075 -0.065 19586 9932 1 15 . 1 1 51 51 MET N N 51 119.245 119.245 118.701 0.544 19586 9933 1 15 . 1 1 51 51 MET HA H 51 3.923 3.923 4.498 -0.575 19586 9934 1 15 . 1 1 51 51 MET CA C 51 56.563 56.563 56.791 -0.228 19586 9935 1 15 . 1 1 51 51 MET CB C 51 29.478 29.478 34.348 -4.870 19586 9936 1 15 . 1 1 51 51 MET H H 51 7.614 7.614 7.686 -0.072 19586 9937 1 15 . 1 1 52 52 ILE N N 52 117.584 117.584 119.910 -2.326 19586 9938 1 15 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.736 -0.408 19586 9939 1 15 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.355 -3.465 19586 9940 1 15 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.992 -3.498 19586 9941 1 15 . 1 1 52 52 ILE H H 52 7.514 7.514 8.824 -1.310 19586 9942 1 15 . 1 1 53 53 ASN N N 53 117.126 117.126 117.373 -0.247 19586 9943 1 15 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.534 -0.312 19586 9944 1 15 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.089 -2.996 19586 9945 1 15 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.465 -3.173 19586 9946 1 15 . 1 1 53 53 ASN H H 53 8.418 8.418 7.724 0.694 19586 9947 1 15 . 1 1 54 54 GLU N N 54 116.380 116.380 117.254 -0.874 19586 9948 1 15 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.271 -0.368 19586 9949 1 15 . 1 1 54 54 GLU CA C 54 56.123 56.123 57.872 -1.749 19586 9950 1 15 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.145 -3.745 19586 9951 1 15 . 1 1 54 54 GLU H H 54 7.466 7.466 8.291 -0.825 19586 9952 1 15 . 1 1 55 55 VAL N N 55 108.622 108.622 112.067 -3.445 19586 9953 1 15 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.253 0.061 19586 9954 1 15 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.411 -4.235 19586 9955 1 15 . 1 1 55 55 VAL CB C 55 30.162 30.162 33.503 -3.341 19586 9956 1 15 . 1 1 55 55 VAL H H 55 7.044 7.044 7.304 -0.260 19586 9957 1 15 . 1 1 56 56 ASP N N 56 121.430 121.430 120.842 0.588 19586 9958 1 15 . 1 1 56 56 ASP HA H 56 4.390 4.390 3.892 0.498 19586 9959 1 15 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.860 -1.869 19586 9960 1 15 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.955 -2.059 19586 9961 1 15 . 1 1 56 56 ASP H H 56 7.561 7.561 7.965 -0.404 19586 9962 1 15 . 1 1 57 57 ALA N N 57 131.840 131.840 122.426 9.414 19586 9963 1 15 . 1 1 57 57 ALA HA H 57 4.053 4.053 3.963 0.090 19586 9964 1 15 . 1 1 57 57 ALA CA C 57 51.480 51.480 53.931 -2.451 19586 9965 1 15 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.091 -2.298 19586 9966 1 15 . 1 1 57 57 ALA H H 57 8.357 8.357 7.164 1.193 19586 9967 1 15 . 1 1 58 58 ASP N N 58 113.565 113.565 116.756 -3.191 19586 9968 1 15 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.739 -0.249 19586 9969 1 15 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.110 -3.194 19586 9970 1 15 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.226 -4.452 19586 9971 1 15 . 1 1 58 58 ASP H H 58 7.985 7.985 7.764 0.221 19586 9972 1 15 . 1 1 59 59 GLY N N 59 108.187 108.187 108.652 -0.465 19586 9973 1 15 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.393 -1.902 19586 9974 1 15 . 1 1 59 59 GLY H H 59 7.424 7.424 7.390 0.034 19586 9975 1 15 . 1 1 60 60 ASN N N 60 118.065 118.065 123.576 -5.511 19586 9976 1 15 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.852 -0.406 19586 9977 1 15 . 1 1 60 60 ASN CA C 60 49.769 49.769 52.764 -2.995 19586 9978 1 15 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.037 -2.483 19586 9979 1 15 . 1 1 60 60 ASN H H 60 7.919 7.919 8.806 -0.887 19586 9980 1 15 . 1 1 61 61 GLY N N 61 113.247 113.247 107.926 5.321 19586 9981 1 15 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.626 -3.748 19586 9982 1 15 . 1 1 61 61 GLY H H 61 10.485 10.485 8.811 1.674 19586 9983 1 15 . 1 1 62 62 THR N N 62 108.699 108.699 113.172 -4.473 19586 9984 1 15 . 1 1 62 62 THR HA H 62 4.580 4.580 4.447 0.133 19586 9985 1 15 . 1 1 62 62 THR CA C 62 56.661 56.661 60.734 -4.073 19586 9986 1 15 . 1 1 62 62 THR H H 62 7.511 7.511 7.105 0.406 19586 9987 1 15 . 1 1 63 63 ILE N N 63 122.834 122.834 120.492 2.342 19586 9988 1 15 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.359 0.695 19586 9989 1 15 . 1 1 63 63 ILE CA C 63 57.101 57.101 60.327 -3.226 19586 9990 1 15 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.614 -4.270 19586 9991 1 15 . 1 1 63 63 ILE H H 63 8.741 8.741 8.054 0.687 19586 9992 1 15 . 1 1 64 64 ASP N N 64 127.818 127.818 121.308 6.510 19586 9993 1 15 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.301 -0.063 19586 9994 1 15 . 1 1 64 64 ASP CA C 64 49.378 49.378 50.771 -1.393 19586 9995 1 15 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.285 -6.503 19586 9996 1 15 . 1 1 64 64 ASP H H 64 8.702 8.702 5.668 3.034 19586 9997 1 15 . 1 1 65 65 PHE N N 65 118.653 118.653 118.769 -0.116 19586 9998 1 15 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.579 -0.718 19586 9999 1 15 . 1 1 65 65 PHE CA C 65 60.717 60.717 62.657 -1.940 19586 10000 1 15 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.503 -4.377 19586 10001 1 15 . 1 1 65 65 PHE H H 65 8.847 8.847 8.734 0.113 19586 10002 1 15 . 1 1 67 67 GLU N N 67 117.631 117.631 118.058 -0.427 19586 10003 1 15 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.167 -0.264 19586 10004 1 15 . 1 1 67 67 GLU CA C 67 56.337 56.337 58.493 -2.156 19586 10005 1 15 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.674 -2.629 19586 10006 1 15 . 1 1 67 67 GLU H H 67 7.940 7.940 9.115 -1.175 19586 10007 1 15 . 1 1 68 68 PHE N N 68 123.289 123.289 116.762 6.527 19586 10008 1 15 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.569 -0.729 19586 10009 1 15 . 1 1 68 68 PHE CA C 68 58.727 58.727 59.616 -0.889 19586 10010 1 15 . 1 1 68 68 PHE CB C 68 37.572 37.572 38.502 -0.930 19586 10011 1 15 . 1 1 68 68 PHE H H 68 8.757 8.757 8.441 0.316 19586 10012 1 15 . 1 1 69 69 LEU N N 69 118.867 118.867 118.345 0.522 19586 10013 1 15 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.177 -0.932 19586 10014 1 15 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.209 -1.052 19586 10015 1 15 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.117 -2.861 19586 10016 1 15 . 1 1 69 69 LEU H H 69 8.403 8.403 7.908 0.495 19586 10017 1 15 . 1 1 70 70 THR N N 70 116.302 116.302 115.190 1.112 19586 10018 1 15 . 1 1 70 70 THR HA H 70 3.624 3.624 3.974 -0.350 19586 10019 1 15 . 1 1 70 70 THR CA C 70 63.843 63.843 65.301 -1.458 19586 10020 1 15 . 1 1 70 70 THR CB C 70 65.502 65.502 68.508 -3.006 19586 10021 1 15 . 1 1 70 70 THR H H 70 7.540 7.540 7.559 -0.019 19586 10022 1 15 . 1 1 71 71 MET N N 71 121.710 121.710 119.197 2.513 19586 10023 1 15 . 1 1 71 71 MET HA H 71 3.903 3.903 4.268 -0.365 19586 10024 1 15 . 1 1 71 71 MET CA C 71 56.303 56.303 58.267 -1.964 19586 10025 1 15 . 1 1 71 71 MET CB C 71 29.706 29.706 32.367 -2.661 19586 10026 1 15 . 1 1 71 71 MET H H 71 7.723 7.723 7.388 0.335 19586 10027 1 15 . 1 1 72 72 MET N N 72 116.535 116.535 118.431 -1.896 19586 10028 1 15 . 1 1 72 72 MET HA H 72 3.773 3.773 4.386 -0.613 19586 10029 1 15 . 1 1 72 72 MET CA C 72 53.307 53.307 55.583 -2.276 19586 10030 1 15 . 1 1 72 72 MET CB C 72 28.787 28.787 32.365 -3.578 19586 10031 1 15 . 1 1 72 72 MET H H 72 7.982 7.982 7.654 0.328 19586 10032 1 15 . 1 1 73 73 ALA N N 73 121.584 121.584 123.084 -1.500 19586 10033 1 15 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.046 -0.166 19586 10034 1 15 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.722 -2.627 19586 10035 1 15 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.243 -2.901 19586 10036 1 15 . 1 1 73 73 ALA H H 73 8.074 8.074 7.467 0.607 19586 10037 1 15 . 1 1 74 74 ARG N N 74 115.784 115.784 117.176 -1.392 19586 10038 1 15 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.120 -0.217 19586 10039 1 15 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.163 -2.432 19586 10040 1 15 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.256 -2.269 19586 10041 1 15 . 1 1 74 74 ARG H H 74 7.358 7.358 7.724 -0.366 19586 10042 1 15 . 1 1 75 75 LYS N N 75 117.245 117.245 117.483 -0.238 19586 10043 1 15 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.305 -0.356 19586 10044 1 15 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.494 -3.547 19586 10045 1 15 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.629 -6.229 19586 10046 1 15 . 1 1 75 75 LYS H H 75 7.640 7.640 7.982 -0.342 19586 10047 1 15 . 1 1 76 76 MET N N 76 117.971 117.971 119.777 -1.806 19586 10048 1 15 . 1 1 76 76 MET HA H 76 4.242 4.242 4.438 -0.196 19586 10049 1 15 . 1 1 76 76 MET CA C 76 53.947 53.947 55.069 -1.121 19586 10050 1 15 . 1 1 76 76 MET CB C 76 29.478 29.478 31.451 -1.974 19586 10051 1 15 . 1 1 76 76 MET H H 76 7.794 7.794 7.744 0.050 19586 10052 1 15 . 1 1 77 77 LYS N N 77 119.902 119.902 122.352 -2.450 19586 10053 1 15 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.376 -0.224 19586 10054 1 15 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.663 -1.380 19586 10055 1 15 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.095 -0.617 19586 10056 1 15 . 1 1 77 77 LYS H H 77 7.622 7.622 7.532 0.090 19586 10057 1 15 . 1 1 78 78 ASP N N 78 119.146 119.146 118.056 1.090 19586 10058 1 15 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.342 -0.099 19586 10059 1 15 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.472 -2.411 19586 10060 1 15 . 1 1 78 78 ASP H H 78 7.991 7.991 7.808 0.183 19586 10061 1 15 . 1 1 79 79 THR N N 79 112.750 112.750 110.825 1.925 19586 10062 1 15 . 1 1 79 79 THR HA H 79 4.170 4.170 4.262 -0.092 19586 10063 1 15 . 1 1 79 79 THR CA C 79 59.030 59.030 61.563 -2.533 19586 10064 1 15 . 1 1 79 79 THR CB C 79 67.668 67.668 70.024 -2.356 19586 10065 1 15 . 1 1 79 79 THR H H 79 7.587 7.587 7.811 -0.224 19586 10066 1 15 . 1 1 80 80 ASP N N 80 122.888 122.888 120.530 2.358 19586 10067 1 15 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.649 -0.278 19586 10068 1 15 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.051 -3.201 19586 10069 1 15 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.276 -4.923 19586 10070 1 15 . 1 1 80 80 ASP H H 80 8.354 8.354 8.651 -0.297 19586 10071 1 15 . 1 1 81 81 SER N N 81 117.571 117.571 115.880 1.691 19586 10072 1 15 . 1 1 81 81 SER HA H 81 4.115 4.115 4.280 -0.165 19586 10073 1 15 . 1 1 81 81 SER CA C 81 57.717 57.717 61.036 -3.319 19586 10074 1 15 . 1 1 81 81 SER CB C 81 60.884 60.884 63.781 -2.897 19586 10075 1 15 . 1 1 81 81 SER H H 81 8.232 8.232 8.447 -0.215 19586 10076 1 15 . 1 1 82 82 GLU N N 82 121.860 121.860 121.291 0.569 19586 10077 1 15 . 1 1 82 82 GLU HA H 82 3.883 3.883 3.973 -0.090 19586 10078 1 15 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.836 -3.128 19586 10079 1 15 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.530 0.062 19586 10080 1 15 . 1 1 82 82 GLU H H 82 8.364 8.364 8.177 0.187 19586 10081 1 15 . 1 1 83 83 GLU N N 83 119.398 119.398 117.721 1.677 19586 10082 1 15 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.099 -0.216 19586 10083 1 15 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.265 -2.659 19586 10084 1 15 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.351 0.014 19586 10085 1 15 . 1 1 83 83 GLU H H 83 8.032 8.032 8.689 -0.657 19586 10086 1 15 . 1 1 84 84 GLU N N 84 118.279 118.279 118.981 -0.702 19586 10087 1 15 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.346 -0.475 19586 10088 1 15 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.250 -1.644 19586 10089 1 15 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.629 -3.812 19586 10090 1 15 . 1 1 84 84 GLU H H 84 8.153 8.153 7.606 0.547 19586 10091 1 15 . 1 1 85 85 ILE N N 85 120.970 120.970 120.157 0.813 19586 10092 1 15 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.936 -0.324 19586 10093 1 15 . 1 1 85 85 ILE CA C 85 63.439 63.439 63.979 -0.540 19586 10094 1 15 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.373 -3.765 19586 10095 1 15 . 1 1 85 85 ILE H H 85 7.927 7.927 7.986 -0.059 19586 10096 1 15 . 1 1 86 86 ARG N N 86 121.766 121.766 119.146 2.620 19586 10097 1 15 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.139 -0.131 19586 10098 1 15 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.438 -1.923 19586 10099 1 15 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.207 -3.351 19586 10100 1 15 . 1 1 86 86 ARG H H 86 8.233 8.233 8.434 -0.201 19586 10101 1 15 . 1 1 87 87 GLU N N 87 118.369 118.369 118.861 -0.492 19586 10102 1 15 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.253 -0.351 19586 10103 1 15 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.082 -1.476 19586 10104 1 15 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.342 -3.525 19586 10105 1 15 . 1 1 87 87 GLU H H 87 8.156 8.156 7.777 0.379 19586 10106 1 15 . 1 1 88 88 ALA N N 88 120.337 120.337 120.253 0.084 19586 10107 1 15 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.609 -0.660 19586 10108 1 15 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.511 -0.248 19586 10109 1 15 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.269 -5.189 19586 10110 1 15 . 1 1 88 88 ALA H H 88 7.877 7.877 7.658 0.219 19586 10111 1 15 . 1 1 89 89 PHE N N 89 118.191 118.191 121.460 -3.269 19586 10112 1 15 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.499 -1.384 19586 10113 1 15 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.707 -2.004 19586 10114 1 15 . 1 1 89 89 PHE CB C 89 36.774 36.774 40.035 -3.261 19586 10115 1 15 . 1 1 89 89 PHE H H 89 8.459 8.459 7.863 0.596 19586 10116 1 15 . 1 1 90 90 ARG N N 90 115.953 115.953 118.177 -2.224 19586 10117 1 15 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.619 -0.714 19586 10118 1 15 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.746 -2.578 19586 10119 1 15 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.089 -2.435 19586 10120 1 15 . 1 1 90 90 ARG H H 90 7.764 7.764 8.021 -0.257 19586 10121 1 15 . 1 1 91 91 VAL N N 91 118.202 118.202 117.554 0.648 19586 10122 1 15 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.775 -0.490 19586 10123 1 15 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.156 -1.799 19586 10124 1 15 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.970 -3.526 19586 10125 1 15 . 1 1 91 91 VAL H H 91 7.229 7.229 7.678 -0.449 19586 10126 1 15 . 1 1 92 92 PHE N N 92 112.447 112.447 119.462 -7.015 19586 10127 1 15 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.261 -0.316 19586 10128 1 15 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.928 -0.899 19586 10129 1 15 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.374 -1.536 19586 10130 1 15 . 1 1 92 92 PHE H H 92 6.699 6.699 7.531 -0.832 19586 10131 1 15 . 1 1 93 93 ASP N N 93 116.461 116.461 118.618 -2.157 19586 10132 1 15 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.973 -0.497 19586 10133 1 15 . 1 1 93 93 ASP CA C 93 49.525 49.525 52.859 -3.334 19586 10134 1 15 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.885 -5.702 19586 10135 1 15 . 1 1 93 93 ASP H H 93 7.881 7.881 8.127 -0.246 19586 10136 1 15 . 1 1 94 94 LYS N N 94 125.494 125.494 123.252 2.242 19586 10137 1 15 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.030 -0.362 19586 10138 1 15 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.803 -2.827 19586 10139 1 15 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.532 -1.118 19586 10140 1 15 . 1 1 94 94 LYS H H 94 7.596 7.596 8.716 -1.120 19586 10141 1 15 . 1 1 95 95 ASP N N 95 114.015 114.015 117.113 -3.098 19586 10142 1 15 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.681 -0.266 19586 10143 1 15 . 1 1 95 95 ASP CA C 95 50.307 50.307 55.026 -4.720 19586 10144 1 15 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.491 -5.717 19586 10145 1 15 . 1 1 95 95 ASP H H 95 8.097 8.097 7.772 0.325 19586 10146 1 15 . 1 1 96 96 GLY N N 96 109.147 109.147 108.344 0.803 19586 10147 1 15 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.215 -0.871 19586 10148 1 15 . 1 1 96 96 GLY H H 96 7.677 7.677 8.261 -0.584 19586 10149 1 15 . 1 1 97 97 ASN N N 97 119.575 119.575 120.051 -0.476 19586 10150 1 15 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.848 -0.348 19586 10151 1 15 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.529 -2.613 19586 10152 1 15 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.079 -3.896 19586 10153 1 15 . 1 1 97 97 ASN H H 97 8.252 8.252 8.282 -0.030 19586 10154 1 15 . 1 1 98 98 GLY N N 98 112.465 112.465 106.981 5.484 19586 10155 1 15 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.699 -3.407 19586 10156 1 15 . 1 1 98 98 GLY H H 98 10.462 10.462 8.478 1.984 19586 10157 1 15 . 1 1 99 99 TYR N N 99 116.256 116.256 117.921 -1.665 19586 10158 1 15 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.941 -0.059 19586 10159 1 15 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.897 -3.315 19586 10160 1 15 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.983 -2.002 19586 10161 1 15 . 1 1 99 99 TYR H H 99 7.557 7.557 7.646 -0.089 19586 10162 1 15 . 1 1 100 100 ILE N N 100 126.957 126.957 121.813 5.144 19586 10163 1 15 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.301 0.156 19586 10164 1 15 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.717 -2.101 19586 10165 1 15 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.090 -3.658 19586 10166 1 15 . 1 1 100 100 ILE H H 100 9.972 9.972 9.098 0.874 19586 10167 1 15 . 1 1 101 101 SER N N 101 123.739 123.739 122.834 0.905 19586 10168 1 15 . 1 1 101 101 SER HA H 101 4.711 4.711 4.393 0.318 19586 10169 1 15 . 1 1 101 101 SER CA C 101 52.897 52.897 58.364 -5.468 19586 10170 1 15 . 1 1 101 101 SER CB C 101 64.134 64.134 64.298 -0.164 19586 10171 1 15 . 1 1 101 101 SER H H 101 8.844 8.844 8.340 0.504 19586 10172 1 15 . 1 1 102 102 ALA N N 102 123.028 123.028 125.875 -2.847 19586 10173 1 15 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.205 -0.494 19586 10174 1 15 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.840 -1.747 19586 10175 1 15 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.880 -3.766 19586 10176 1 15 . 1 1 102 102 ALA H H 102 9.178 9.178 8.524 0.654 19586 10177 1 15 . 1 1 103 103 ALA N N 103 118.443 118.443 118.755 -0.312 19586 10178 1 15 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.330 -0.469 19586 10179 1 15 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.190 -0.781 19586 10180 1 15 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.678 -2.222 19586 10181 1 15 . 1 1 103 103 ALA H H 103 8.132 8.132 8.306 -0.174 19586 10182 1 15 . 1 1 104 104 GLU N N 104 120.139 120.139 120.012 0.127 19586 10183 1 15 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.001 -0.162 19586 10184 1 15 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.229 -2.666 19586 10185 1 15 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.596 -3.196 19586 10186 1 15 . 1 1 104 104 GLU H H 104 7.786 7.786 7.508 0.278 19586 10187 1 15 . 1 1 105 105 LEU N N 105 121.545 121.545 119.011 2.534 19586 10188 1 15 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.788 0.114 19586 10189 1 15 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.689 -1.957 19586 10190 1 15 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.598 -1.389 19586 10191 1 15 . 1 1 105 105 LEU H H 105 8.240 8.240 7.771 0.469 19586 10192 1 15 . 1 1 106 106 ARG N N 106 118.625 118.625 118.257 0.368 19586 10193 1 15 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.936 -0.097 19586 10194 1 15 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.147 -1.802 19586 10195 1 15 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.239 1.151 19586 10196 1 15 . 1 1 106 106 ARG H H 106 8.761 8.761 8.235 0.526 19586 10197 1 15 . 1 1 107 107 HIS N N 107 119.052 119.052 119.561 -0.509 19586 10198 1 15 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.428 -0.526 19586 10199 1 15 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.396 -2.589 19586 10200 1 15 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.447 -3.249 19586 10201 1 15 . 1 1 107 107 HIS H H 107 7.946 7.946 7.313 0.633 19586 10202 1 15 . 1 1 108 108 VAL N N 108 119.160 119.160 120.040 -0.880 19586 10203 1 15 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.659 -0.217 19586 10204 1 15 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.914 -1.629 19586 10205 1 15 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.986 -3.078 19586 10206 1 15 . 1 1 108 108 VAL H H 108 7.736 7.736 8.421 -0.685 19586 10207 1 15 . 1 1 109 109 MET N N 109 115.333 115.333 117.367 -2.034 19586 10208 1 15 . 1 1 109 109 MET HA H 109 4.139 4.139 4.072 0.067 19586 10209 1 15 . 1 1 109 109 MET CA C 109 54.686 54.686 57.230 -2.544 19586 10210 1 15 . 1 1 109 109 MET CB C 109 29.706 29.706 31.596 -1.890 19586 10211 1 15 . 1 1 109 109 MET H H 109 8.074 8.074 8.679 -0.605 19586 10212 1 15 . 1 1 110 110 THR N N 110 116.714 116.714 114.238 2.476 19586 10213 1 15 . 1 1 110 110 THR HA H 110 3.935 3.935 4.085 -0.150 19586 10214 1 15 . 1 1 110 110 THR CA C 110 63.845 63.845 65.613 -1.768 19586 10215 1 15 . 1 1 110 110 THR CB C 110 66.072 66.072 68.222 -2.151 19586 10216 1 15 . 1 1 110 110 THR H H 110 8.515 8.515 7.606 0.909 19586 10217 1 15 . 1 1 111 111 ASN N N 111 123.784 123.784 119.908 3.876 19586 10218 1 15 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.576 -0.334 19586 10219 1 15 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.158 -2.065 19586 10220 1 15 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.579 -3.287 19586 10221 1 15 . 1 1 111 111 ASN H H 111 7.890 7.890 7.754 0.136 19586 10222 1 15 . 1 1 112 112 LEU N N 112 118.227 118.227 117.563 0.664 19586 10223 1 15 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.261 -0.146 19586 10224 1 15 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.349 -2.696 19586 10225 1 15 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.090 -2.352 19586 10226 1 15 . 1 1 112 112 LEU H H 112 7.621 7.621 7.221 0.400 19586 10227 1 15 . 1 1 113 113 GLY N N 113 106.787 106.787 104.902 1.885 19586 10228 1 15 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.834 -2.298 19586 10229 1 15 . 1 1 113 113 GLY H H 113 7.701 7.701 7.498 0.203 19586 10230 1 15 . 1 1 114 114 GLU N N 114 120.288 120.288 119.091 1.197 19586 10231 1 15 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.515 -0.273 19586 10232 1 15 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.739 -1.672 19586 10233 1 15 . 1 1 114 114 GLU CB C 114 26.616 26.616 29.802 -3.187 19586 10234 1 15 . 1 1 114 114 GLU H H 114 7.864 7.864 7.700 0.164 19586 10235 1 15 . 1 1 115 115 LYS N N 115 124.987 124.987 125.128 -0.141 19586 10236 1 15 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.141 0.082 19586 10237 1 15 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.673 -3.825 19586 10238 1 15 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.212 -0.255 19586 10239 1 15 . 1 1 115 115 LYS H H 115 8.491 8.491 8.488 0.003 19586 10240 1 15 . 1 1 116 116 LEU N N 116 124.912 124.912 121.037 3.875 19586 10241 1 15 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.707 0.005 19586 10242 1 15 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.934 -1.845 19586 10243 1 15 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.558 -1.970 19586 10244 1 15 . 1 1 116 116 LEU H H 116 7.978 7.978 7.772 0.206 19586 10245 1 15 . 1 1 117 117 THR N N 117 114.220 114.220 112.974 1.246 19586 10246 1 15 . 1 1 117 117 THR HA H 117 4.302 4.302 4.377 -0.075 19586 10247 1 15 . 1 1 117 117 THR CA C 117 57.834 57.834 59.493 -1.659 19586 10248 1 15 . 1 1 117 117 THR CB C 117 68.580 68.580 70.336 -1.756 19586 10249 1 15 . 1 1 117 117 THR H H 117 9.093 9.093 8.035 1.058 19586 10250 1 15 . 1 1 118 118 ASP N N 118 120.925 120.925 121.221 -0.296 19586 10251 1 15 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.281 -0.223 19586 10252 1 15 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.721 -2.478 19586 10253 1 15 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.684 -3.682 19586 10254 1 15 . 1 1 118 118 ASP H H 118 8.764 8.764 8.667 0.097 19586 10255 1 15 . 1 1 119 119 GLU N N 119 119.395 119.395 118.013 1.382 19586 10256 1 15 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.998 -0.071 19586 10257 1 15 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.237 -2.088 19586 10258 1 15 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.905 -2.974 19586 10259 1 15 . 1 1 119 119 GLU H H 119 8.509 8.509 8.686 -0.177 19586 10260 1 15 . 1 1 120 120 GLU N N 120 119.909 119.909 118.783 1.126 19586 10261 1 15 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.178 -0.282 19586 10262 1 15 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.352 -2.034 19586 10263 1 15 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.963 -4.133 19586 10264 1 15 . 1 1 120 120 GLU H H 120 7.585 7.585 7.675 -0.090 19586 10265 1 15 . 1 1 121 121 VAL N N 121 122.092 122.092 118.464 3.628 19586 10266 1 15 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.782 -0.340 19586 10267 1 15 . 1 1 121 121 VAL CA C 121 64.090 64.090 65.142 -1.052 19586 10268 1 15 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.503 -2.823 19586 10269 1 15 . 1 1 121 121 VAL H H 121 7.849 7.849 7.282 0.567 19586 10270 1 15 . 1 1 122 122 ASP N N 122 120.167 120.167 121.067 -0.900 19586 10271 1 15 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.273 -0.116 19586 10272 1 15 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.467 -3.566 19586 10273 1 15 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.914 -3.342 19586 10274 1 15 . 1 1 122 122 ASP H H 122 7.912 7.912 8.620 -0.708 19586 10275 1 15 . 1 1 123 123 GLU N N 123 119.087 119.087 118.202 0.885 19586 10276 1 15 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.092 -0.196 19586 10277 1 15 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.982 -2.370 19586 10278 1 15 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.710 -3.538 19586 10279 1 15 . 1 1 123 123 GLU H H 123 7.839 7.839 7.712 0.127 19586 10280 1 15 . 1 1 124 124 MET N N 124 118.897 118.897 117.646 1.251 19586 10281 1 15 . 1 1 124 124 MET HA H 124 3.867 3.867 4.287 -0.420 19586 10282 1 15 . 1 1 124 124 MET CA C 124 56.905 56.905 58.967 -2.062 19586 10283 1 15 . 1 1 124 124 MET CB C 124 29.250 29.250 33.184 -3.934 19586 10284 1 15 . 1 1 124 124 MET H H 124 7.433 7.433 7.430 0.003 19586 10285 1 15 . 1 1 125 125 ILE N N 125 118.001 118.001 114.229 3.772 19586 10286 1 15 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.224 -0.844 19586 10287 1 15 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.061 -2.930 19586 10288 1 15 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.937 -4.697 19586 10289 1 15 . 1 1 125 125 ILE H H 125 7.658 7.658 8.393 -0.735 19586 10290 1 15 . 1 1 126 126 ARG N N 126 117.720 117.720 120.807 -3.087 19586 10291 1 15 . 1 1 126 126 ARG HA H 126 3.883 3.883 3.985 -0.102 19586 10292 1 15 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.642 -2.969 19586 10293 1 15 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.189 -0.711 19586 10294 1 15 . 1 1 126 126 ARG H H 126 7.974 7.974 8.208 -0.234 19586 10295 1 15 . 1 1 127 127 GLU N N 127 117.050 117.050 116.865 0.185 19586 10296 1 15 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.203 -0.236 19586 10297 1 15 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.532 -2.213 19586 10298 1 15 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.577 -3.291 19586 10299 1 15 . 1 1 127 127 GLU H H 127 7.635 7.635 7.678 -0.043 19586 10300 1 15 . 1 1 128 128 ALA N N 128 116.966 116.966 120.025 -3.059 19586 10301 1 15 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.334 0.166 19586 10302 1 15 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.506 -4.301 19586 10303 1 15 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.020 0.085 19586 10304 1 15 . 1 1 128 128 ALA H H 128 7.155 7.155 7.447 -0.292 19586 10305 1 15 . 1 1 129 129 ASP N N 129 118.033 118.033 119.468 -1.435 19586 10306 1 15 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.863 -0.512 19586 10307 1 15 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.053 -1.230 19586 10308 1 15 . 1 1 129 129 ASP CB C 129 37.686 37.686 42.066 -4.380 19586 10309 1 15 . 1 1 129 129 ASP H H 129 7.806 7.806 7.663 0.143 19586 10310 1 15 . 1 1 130 130 ILE N N 130 127.927 127.927 121.387 6.540 19586 10311 1 15 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.166 -0.369 19586 10312 1 15 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.677 -2.155 19586 10313 1 15 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.226 -2.136 19586 10314 1 15 . 1 1 130 130 ILE H H 130 8.115 8.115 8.507 -0.392 19586 10315 1 15 . 1 1 131 131 ASP N N 131 116.634 116.634 119.542 -2.908 19586 10316 1 15 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.682 -0.339 19586 10317 1 15 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.950 -2.763 19586 10318 1 15 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.389 -3.921 19586 10319 1 15 . 1 1 131 131 ASP H H 131 8.202 8.202 7.973 0.229 19586 10320 1 15 . 1 1 132 132 GLY N N 132 108.586 108.586 109.375 -0.789 19586 10321 1 15 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.956 -1.318 19586 10322 1 15 . 1 1 132 132 GLY H H 132 7.535 7.535 7.471 0.064 19586 10323 1 15 . 1 1 133 133 ASP N N 133 120.377 120.377 120.301 0.076 19586 10324 1 15 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.579 -0.228 19586 10325 1 15 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.685 -3.743 19586 10326 1 15 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.242 -3.784 19586 10327 1 15 . 1 1 133 133 ASP H H 133 8.215 8.215 8.820 -0.605 19586 10328 1 15 . 1 1 134 134 GLY N N 134 112.226 112.226 107.132 5.094 19586 10329 1 15 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.303 -2.181 19586 10330 1 15 . 1 1 134 134 GLY H H 134 9.971 9.971 8.481 1.490 19586 10331 1 15 . 1 1 135 135 GLN N N 135 115.229 115.229 117.014 -1.785 19586 10332 1 15 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.862 -0.731 19586 10333 1 15 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.638 -4.184 19586 10334 1 15 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.170 -3.556 19586 10335 1 15 . 1 1 135 135 GLN H H 135 7.835 7.835 7.562 0.273 19586 10336 1 15 . 1 1 136 136 VAL N N 136 125.238 125.238 121.902 3.336 19586 10337 1 15 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.469 0.627 19586 10338 1 15 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.105 -2.392 19586 10339 1 15 . 1 1 136 136 VAL CB C 136 31.416 31.416 33.453 -2.037 19586 10340 1 15 . 1 1 136 136 VAL H H 136 8.958 8.958 9.036 -0.078 19586 10341 1 15 . 1 1 137 137 ASN N N 137 129.058 129.058 125.673 3.385 19586 10342 1 15 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.856 0.370 19586 10343 1 15 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.858 -3.506 19586 10344 1 15 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.123 -3.482 19586 10345 1 15 . 1 1 137 137 ASN H H 137 9.435 9.435 8.617 0.818 19586 10346 1 15 . 1 1 138 138 TYR N N 138 118.627 118.627 117.625 1.002 19586 10347 1 15 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.424 -1.232 19586 10348 1 15 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.811 -1.142 19586 10349 1 15 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.955 -0.383 19586 10350 1 15 . 1 1 138 138 TYR H H 138 8.146 8.146 7.807 0.339 19586 10351 1 15 . 1 1 139 139 GLU N N 139 118.701 118.701 119.153 -0.452 19586 10352 1 15 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.982 -0.470 19586 10353 1 15 . 1 1 139 139 GLU CA C 139 57.540 57.540 58.959 -1.419 19586 10354 1 15 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.912 -2.638 19586 10355 1 15 . 1 1 139 139 GLU H H 139 7.974 7.974 7.587 0.387 19586 10356 1 15 . 1 1 140 140 GLU N N 140 119.774 119.774 118.989 0.785 19586 10357 1 15 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.156 -0.245 19586 10358 1 15 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.464 -2.439 19586 10359 1 15 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.782 -3.507 19586 10360 1 15 . 1 1 140 140 GLU H H 140 8.676 8.676 7.738 0.938 19586 10361 1 15 . 1 1 141 141 PHE N N 141 124.074 124.074 120.199 3.875 19586 10362 1 15 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.141 -0.494 19586 10363 1 15 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.499 -1.052 19586 10364 1 15 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.127 -1.442 19586 10365 1 15 . 1 1 141 141 PHE H H 141 8.507 8.507 7.486 1.021 19586 10366 1 15 . 1 1 142 142 VAL N N 142 119.203 119.203 115.935 3.268 19586 10367 1 15 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.547 -0.589 19586 10368 1 15 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.835 -1.403 19586 10369 1 15 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.738 -1.830 19586 10370 1 15 . 1 1 142 142 VAL H H 142 8.639 8.639 7.442 1.197 19586 10371 1 15 . 1 1 143 143 GLN N N 143 120.173 120.173 119.836 0.337 19586 10372 1 15 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.984 -0.313 19586 10373 1 15 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.702 -2.188 19586 10374 1 15 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.064 -2.818 19586 10375 1 15 . 1 1 143 143 GLN H H 143 7.818 7.818 7.815 0.003 19586 10376 1 15 . 1 1 144 144 MET N N 144 118.573 118.573 114.835 3.738 19586 10377 1 15 . 1 1 144 144 MET HA H 144 3.882 3.882 4.316 -0.434 19586 10378 1 15 . 1 1 144 144 MET CA C 144 55.683 55.683 55.634 0.049 19586 10379 1 15 . 1 1 144 144 MET CB C 144 28.110 28.110 32.353 -4.243 19586 10380 1 15 . 1 1 144 144 MET H H 144 7.403 7.403 7.456 -0.053 19586 10381 1 15 . 1 1 145 145 MET N N 145 114.053 114.053 118.661 -4.608 19586 10382 1 15 . 1 1 145 145 MET HA H 145 3.940 3.940 4.250 -0.310 19586 10383 1 15 . 1 1 145 145 MET CA C 145 53.630 53.630 56.812 -3.182 19586 10384 1 15 . 1 1 145 145 MET CB C 145 29.592 29.592 32.120 -2.528 19586 10385 1 15 . 1 1 145 145 MET H H 145 7.534 7.534 7.522 0.012 19586 10386 1 15 . 1 1 146 146 THR N N 146 109.275 109.275 113.445 -4.170 19586 10387 1 15 . 1 1 146 146 THR HA H 146 4.175 4.175 4.152 0.023 19586 10388 1 15 . 1 1 146 146 THR CA C 146 59.251 59.251 64.082 -4.830 19586 10389 1 15 . 1 1 146 146 THR CB C 146 67.896 67.896 69.093 -1.196 19586 10390 1 15 . 1 1 146 146 THR H H 146 7.554 7.554 7.575 -0.021 19586 10391 1 15 . 1 1 147 147 ALA N N 147 126.913 126.913 122.663 4.250 19586 10392 1 15 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.456 -0.339 19586 10393 1 15 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.876 -0.569 19586 10394 1 15 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.468 -3.132 19586 10395 1 15 . 1 1 147 147 ALA H H 147 7.406 7.406 7.350 0.056 19586 10396 1 16 . 1 1 2 2 ASP N N 2 120.378 120.378 119.689 0.689 19586 10397 1 16 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.725 -0.140 19586 10398 1 16 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.510 -2.550 19586 10399 1 16 . 1 1 2 2 ASP H H 2 8.506 8.506 8.447 0.059 19586 10400 1 16 . 1 1 3 3 GLN N N 3 119.707 119.707 118.400 1.307 19586 10401 1 16 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.528 -0.316 19586 10402 1 16 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.460 -2.725 19586 10403 1 16 . 1 1 3 3 GLN CB C 3 31.074 31.074 30.950 0.124 19586 10404 1 16 . 1 1 3 3 GLN H H 3 8.208 8.208 7.981 0.227 19586 10405 1 16 . 1 1 4 4 LEU N N 4 123.069 123.069 118.628 4.441 19586 10406 1 16 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.962 -0.822 19586 10407 1 16 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.433 -3.775 19586 10408 1 16 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.298 -2.675 19586 10409 1 16 . 1 1 4 4 LEU H H 4 8.181 8.181 8.608 -0.427 19586 10410 1 16 . 1 1 5 5 THR N N 5 112.909 112.909 113.523 -0.614 19586 10411 1 16 . 1 1 5 5 THR HA H 5 4.322 4.322 4.842 -0.520 19586 10412 1 16 . 1 1 5 5 THR CA C 5 57.687 57.687 63.522 -5.835 19586 10413 1 16 . 1 1 5 5 THR CB C 5 68.580 68.580 69.318 -0.738 19586 10414 1 16 . 1 1 5 5 THR H H 5 8.607 8.607 7.896 0.711 19586 10415 1 16 . 1 1 6 6 GLU N N 6 120.224 120.224 121.511 -1.287 19586 10416 1 16 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.120 -0.295 19586 10417 1 16 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.525 -2.278 19586 10418 1 16 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.585 -0.449 19586 10419 1 16 . 1 1 6 6 GLU H H 6 8.877 8.877 8.545 0.332 19586 10420 1 16 . 1 1 7 7 GLU N N 7 119.350 119.350 115.434 3.916 19586 10421 1 16 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.148 -0.231 19586 10422 1 16 . 1 1 7 7 GLU CA C 7 57.198 57.198 57.833 -0.635 19586 10423 1 16 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.286 -3.012 19586 10424 1 16 . 1 1 7 7 GLU H H 7 8.524 8.524 8.736 -0.212 19586 10425 1 16 . 1 1 8 8 GLN N N 8 119.917 119.917 116.301 3.616 19586 10426 1 16 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.190 -0.287 19586 10427 1 16 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.181 -2.204 19586 10428 1 16 . 1 1 8 8 GLN CB C 8 26.400 26.400 30.262 -3.862 19586 10429 1 16 . 1 1 8 8 GLN H H 8 7.603 7.603 7.368 0.235 19586 10430 1 16 . 1 1 9 9 ILE N N 9 119.503 119.503 111.175 8.328 19586 10431 1 16 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.543 -0.904 19586 10432 1 16 . 1 1 9 9 ILE CA C 9 63.796 63.796 60.452 3.344 19586 10433 1 16 . 1 1 9 9 ILE CB C 9 35.178 35.178 39.042 -3.864 19586 10434 1 16 . 1 1 9 9 ILE H H 9 8.260 8.260 7.476 0.784 19586 10435 1 16 . 1 1 10 10 ALA N N 10 121.044 121.044 124.561 -3.517 19586 10436 1 16 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.302 -0.341 19586 10437 1 16 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.289 -1.587 19586 10438 1 16 . 1 1 10 10 ALA CB C 10 15.114 15.114 19.166 -4.052 19586 10439 1 16 . 1 1 10 10 ALA H H 10 7.840 7.840 7.852 -0.012 19586 10440 1 16 . 1 1 11 11 GLU N N 11 119.113 119.113 119.147 -0.034 19586 10441 1 16 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.349 -0.441 19586 10442 1 16 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.836 -1.273 19586 10443 1 16 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.545 -3.145 19586 10444 1 16 . 1 1 11 11 GLU H H 11 7.635 7.635 8.412 -0.777 19586 10445 1 16 . 1 1 12 12 PHE N N 12 119.574 119.574 119.405 0.169 19586 10446 1 16 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.345 0.441 19586 10447 1 16 . 1 1 12 12 PHE CA C 12 56.954 56.954 60.948 -3.994 19586 10448 1 16 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.298 -4.234 19586 10449 1 16 . 1 1 12 12 PHE H H 12 8.441 8.441 8.079 0.362 19586 10450 1 16 . 1 1 13 13 LYS N N 13 123.454 123.454 118.787 4.667 19586 10451 1 16 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.442 -0.539 19586 10452 1 16 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.052 -0.756 19586 10453 1 16 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.210 -2.618 19586 10454 1 16 . 1 1 13 13 LYS H H 13 9.103 9.103 7.917 1.186 19586 10455 1 16 . 1 1 14 14 GLU N N 14 119.525 119.525 117.217 2.308 19586 10456 1 16 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.413 -0.502 19586 10457 1 16 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.695 -1.230 19586 10458 1 16 . 1 1 14 14 GLU CB C 14 26.502 26.502 29.824 -3.322 19586 10459 1 16 . 1 1 14 14 GLU H H 14 7.667 7.667 8.156 -0.489 19586 10460 1 16 . 1 1 15 15 ALA N N 15 121.983 121.983 121.942 0.041 19586 10461 1 16 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.158 -0.197 19586 10462 1 16 . 1 1 15 15 ALA CA C 15 52.751 52.751 53.947 -1.196 19586 10463 1 16 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.537 -3.309 19586 10464 1 16 . 1 1 15 15 ALA H H 15 7.816 7.816 7.394 0.422 19586 10465 1 16 . 1 1 16 16 PHE N N 16 118.874 118.874 119.792 -0.918 19586 10466 1 16 . 1 1 16 16 PHE HA H 16 3.095 3.095 3.656 -0.561 19586 10467 1 16 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.162 -0.618 19586 10468 1 16 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.113 -2.339 19586 10469 1 16 . 1 1 16 16 PHE H H 16 8.764 8.764 7.755 1.009 19586 10470 1 16 . 1 1 17 17 SER N N 17 111.578 111.578 111.811 -0.233 19586 10471 1 16 . 1 1 17 17 SER HA H 17 3.979 3.979 4.134 -0.155 19586 10472 1 16 . 1 1 17 17 SER CA C 17 58.567 58.567 59.444 -0.877 19586 10473 1 16 . 1 1 17 17 SER CB C 17 60.600 60.600 62.612 -2.012 19586 10474 1 16 . 1 1 17 17 SER H H 17 7.825 7.825 7.968 -0.143 19586 10475 1 16 . 1 1 18 18 LEU N N 18 121.167 121.167 120.014 1.153 19586 10476 1 16 . 1 1 18 18 LEU HA H 18 3.947 3.947 3.928 0.019 19586 10477 1 16 . 1 1 18 18 LEU CA C 18 54.608 54.608 56.929 -2.321 19586 10478 1 16 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.060 -2.422 19586 10479 1 16 . 1 1 18 18 LEU H H 18 7.240 7.240 6.827 0.413 19586 10480 1 16 . 1 1 19 19 PHE N N 19 114.405 114.405 111.337 3.068 19586 10481 1 16 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.433 -0.522 19586 10482 1 16 . 1 1 19 19 PHE CA C 19 57.247 57.247 56.263 0.984 19586 10483 1 16 . 1 1 19 19 PHE CB C 19 33.810 33.810 38.797 -4.987 19586 10484 1 16 . 1 1 19 19 PHE H H 19 7.090 7.090 6.077 1.013 19586 10485 1 16 . 1 1 20 20 ASP N N 20 115.823 115.823 122.540 -6.717 19586 10486 1 16 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.616 -0.140 19586 10487 1 16 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.725 -5.249 19586 10488 1 16 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.427 -2.645 19586 10489 1 16 . 1 1 20 20 ASP H H 20 7.662 7.662 7.430 0.232 19586 10490 1 16 . 1 1 21 21 LYS N N 21 124.906 124.906 124.167 0.739 19586 10491 1 16 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.124 -0.338 19586 10492 1 16 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.461 -2.436 19586 10493 1 16 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.400 -2.700 19586 10494 1 16 . 1 1 21 21 LYS H H 21 7.539 7.539 8.129 -0.590 19586 10495 1 16 . 1 1 22 22 ASP N N 22 113.550 113.550 118.184 -4.634 19586 10496 1 16 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.573 -0.142 19586 10497 1 16 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.946 -4.981 19586 10498 1 16 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.371 -4.597 19586 10499 1 16 . 1 1 22 22 ASP H H 22 7.965 7.965 7.776 0.189 19586 10500 1 16 . 1 1 23 23 GLY N N 23 109.354 109.354 106.410 2.944 19586 10501 1 16 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.135 -1.693 19586 10502 1 16 . 1 1 23 23 GLY H H 23 7.606 7.606 8.735 -1.129 19586 10503 1 16 . 1 1 24 24 ASP N N 24 120.643 120.643 121.246 -0.603 19586 10504 1 16 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.750 -0.395 19586 10505 1 16 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.984 -2.944 19586 10506 1 16 . 1 1 24 24 ASP CB C 24 37.686 37.686 40.953 -3.267 19586 10507 1 16 . 1 1 24 24 ASP H H 24 8.266 8.266 8.476 -0.210 19586 10508 1 16 . 1 1 25 25 GLY N N 25 113.205 113.205 106.560 6.645 19586 10509 1 16 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.160 -2.477 19586 10510 1 16 . 1 1 25 25 GLY H H 25 10.545 10.545 8.119 2.426 19586 10511 1 16 . 1 1 26 26 THR N N 26 112.852 112.852 109.711 3.141 19586 10512 1 16 . 1 1 26 26 THR HA H 26 5.170 5.170 5.216 -0.046 19586 10513 1 16 . 1 1 26 26 THR CA C 26 56.954 56.954 59.952 -2.998 19586 10514 1 16 . 1 1 26 26 THR CB C 26 69.948 69.948 71.814 -1.866 19586 10515 1 16 . 1 1 26 26 THR H H 26 8.020 8.020 7.635 0.385 19586 10516 1 16 . 1 1 27 27 ILE N N 27 127.005 127.005 118.372 8.633 19586 10517 1 16 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.553 -0.726 19586 10518 1 16 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.567 -1.636 19586 10519 1 16 . 1 1 27 27 ILE CB C 27 37.230 37.230 39.595 -2.365 19586 10520 1 16 . 1 1 27 27 ILE H H 27 9.689 9.689 7.991 1.698 19586 10521 1 16 . 1 1 28 28 THR N N 28 116.439 116.439 120.389 -3.950 19586 10522 1 16 . 1 1 28 28 THR HA H 28 4.642 4.642 4.326 0.316 19586 10523 1 16 . 1 1 28 28 THR CA C 28 56.612 56.612 62.764 -6.152 19586 10524 1 16 . 1 1 28 28 THR CB C 28 69.606 69.606 69.374 0.232 19586 10525 1 16 . 1 1 28 28 THR H H 28 8.275 8.275 8.475 -0.200 19586 10526 1 16 . 1 1 29 29 THR N N 29 113.287 113.287 114.643 -1.356 19586 10527 1 16 . 1 1 29 29 THR HA H 29 3.635 3.635 4.164 -0.529 19586 10528 1 16 . 1 1 29 29 THR CA C 29 63.845 63.845 62.660 1.185 19586 10529 1 16 . 1 1 29 29 THR CB C 29 65.616 65.616 68.813 -3.197 19586 10530 1 16 . 1 1 29 29 THR H H 29 9.054 9.054 8.425 0.629 19586 10531 1 16 . 1 1 30 30 LYS N N 30 121.230 121.230 120.175 1.055 19586 10532 1 16 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.235 -0.332 19586 10533 1 16 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.402 -1.937 19586 10534 1 16 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.672 -2.972 19586 10535 1 16 . 1 1 30 30 LYS H H 30 7.578 7.578 7.913 -0.335 19586 10536 1 16 . 1 1 31 31 GLU N N 31 122.002 122.002 118.526 3.476 19586 10537 1 16 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.216 -0.353 19586 10538 1 16 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.468 -0.319 19586 10539 1 16 . 1 1 31 31 GLU CB C 31 26.058 26.058 27.782 -1.724 19586 10540 1 16 . 1 1 31 31 GLU H H 31 7.712 7.712 8.553 -0.841 19586 10541 1 16 . 1 1 32 32 LEU N N 32 119.130 119.130 118.024 1.106 19586 10542 1 16 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.046 -0.121 19586 10543 1 16 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.407 -0.878 19586 10544 1 16 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.105 -0.124 19586 10545 1 16 . 1 1 32 32 LEU H H 32 8.509 8.509 7.572 0.937 19586 10546 1 16 . 1 1 33 33 GLY N N 33 103.747 103.747 103.908 -0.161 19586 10547 1 16 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.612 0.052 19586 10548 1 16 . 1 1 33 33 GLY H H 33 8.388 8.388 8.087 0.301 19586 10549 1 16 . 1 1 34 34 THR N N 34 117.487 117.487 116.075 1.412 19586 10550 1 16 . 1 1 34 34 THR HA H 34 3.795 3.795 4.280 -0.485 19586 10551 1 16 . 1 1 34 34 THR CA C 34 64.285 64.285 63.787 0.498 19586 10552 1 16 . 1 1 34 34 THR CB C 34 66.186 66.186 68.576 -2.390 19586 10553 1 16 . 1 1 34 34 THR H H 34 7.935 7.935 7.667 0.268 19586 10554 1 16 . 1 1 35 35 VAL N N 35 120.287 120.287 119.484 0.803 19586 10555 1 16 . 1 1 35 35 VAL H H 35 7.089 7.089 7.212 -0.123 19586 10556 1 16 . 1 1 36 36 MET N N 36 117.816 117.816 117.922 -0.106 19586 10557 1 16 . 1 1 36 36 MET HA H 36 3.911 3.911 4.362 -0.451 19586 10558 1 16 . 1 1 36 36 MET CA C 36 57.101 57.101 58.353 -1.252 19586 10559 1 16 . 1 1 36 36 MET CB C 36 29.929 29.929 32.838 -2.909 19586 10560 1 16 . 1 1 36 36 MET H H 36 8.318 8.318 7.719 0.599 19586 10561 1 16 . 1 1 37 37 ARG N N 37 117.706 117.706 120.472 -2.766 19586 10562 1 16 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.166 0.532 19586 10563 1 16 . 1 1 37 37 ARG CA C 37 56.172 56.172 57.334 -1.162 19586 10564 1 16 . 1 1 37 37 ARG CB C 37 27.084 27.084 28.638 -1.554 19586 10565 1 16 . 1 1 37 37 ARG H H 37 8.233 8.233 7.749 0.484 19586 10566 1 16 . 1 1 38 38 SER N N 38 118.974 118.974 113.890 5.084 19586 10567 1 16 . 1 1 38 38 SER HA H 38 4.187 4.187 4.632 -0.445 19586 10568 1 16 . 1 1 38 38 SER CA C 38 59.251 59.251 58.699 0.552 19586 10569 1 16 . 1 1 38 38 SER CB C 38 67.782 67.782 65.901 1.881 19586 10570 1 16 . 1 1 38 38 SER H H 38 7.874 7.874 8.502 -0.628 19586 10571 1 16 . 1 1 39 39 LEU N N 39 118.835 118.835 122.476 -3.641 19586 10572 1 16 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.432 -0.293 19586 10573 1 16 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.220 -3.887 19586 10574 1 16 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.626 -2.988 19586 10575 1 16 . 1 1 39 39 LEU H H 39 7.248 7.248 7.701 -0.453 19586 10576 1 16 . 1 1 40 40 GLY N N 40 104.990 104.990 106.947 -1.957 19586 10577 1 16 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.644 -2.766 19586 10578 1 16 . 1 1 40 40 GLY H H 40 7.471 7.471 8.260 -0.789 19586 10579 1 16 . 1 1 41 41 GLN N N 41 118.032 118.032 118.564 -0.532 19586 10580 1 16 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.618 -0.248 19586 10581 1 16 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.024 -2.837 19586 10582 1 16 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.495 -0.877 19586 10583 1 16 . 1 1 41 41 GLN H H 41 7.860 7.860 7.971 -0.111 19586 10584 1 16 . 1 1 42 42 ASN N N 42 115.671 115.671 117.197 -1.526 19586 10585 1 16 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.073 0.021 19586 10586 1 16 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.933 -2.239 19586 10587 1 16 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.244 -3.690 19586 10588 1 16 . 1 1 42 42 ASN H H 42 8.561 8.561 8.453 0.108 19586 10589 1 16 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.633 0.078 19586 10590 1 16 . 1 1 44 44 THR N N 44 113.509 113.509 114.836 -1.327 19586 10591 1 16 . 1 1 44 44 THR HA H 44 4.321 4.321 4.497 -0.176 19586 10592 1 16 . 1 1 44 44 THR CA C 44 57.638 57.638 60.487 -2.849 19586 10593 1 16 . 1 1 44 44 THR CB C 44 68.466 68.466 68.973 -0.507 19586 10594 1 16 . 1 1 44 44 THR H H 44 8.882 8.882 8.105 0.777 19586 10595 1 16 . 1 1 45 45 GLU N N 45 120.506 120.506 127.496 -6.990 19586 10596 1 16 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.763 0.117 19586 10597 1 16 . 1 1 45 45 GLU CA C 45 57.101 57.101 60.269 -3.168 19586 10598 1 16 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.413 -3.139 19586 10599 1 16 . 1 1 45 45 GLU H H 45 8.662 8.662 8.626 0.036 19586 10600 1 16 . 1 1 46 46 ALA N N 46 120.586 120.586 118.746 1.840 19586 10601 1 16 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.128 -0.203 19586 10602 1 16 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.336 -2.025 19586 10603 1 16 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.478 -3.398 19586 10604 1 16 . 1 1 46 46 ALA H H 46 8.139 8.139 8.343 -0.204 19586 10605 1 16 . 1 1 47 47 GLU N N 47 118.171 118.171 118.568 -0.397 19586 10606 1 16 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.125 -0.249 19586 10607 1 16 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.966 -2.696 19586 10608 1 16 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.770 -3.484 19586 10609 1 16 . 1 1 47 47 GLU H H 47 7.597 7.597 7.703 -0.106 19586 10610 1 16 . 1 1 48 48 LEU N N 48 120.228 120.228 116.346 3.882 19586 10611 1 16 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.044 -0.117 19586 10612 1 16 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.904 -2.856 19586 10613 1 16 . 1 1 48 48 LEU CB C 48 39.981 39.981 39.941 0.039 19586 10614 1 16 . 1 1 48 48 LEU H H 48 7.848 7.848 7.743 0.105 19586 10615 1 16 . 1 1 49 49 GLN N N 49 117.910 117.910 118.999 -1.089 19586 10616 1 16 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.076 -0.175 19586 10617 1 16 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.895 -3.163 19586 10618 1 16 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.349 -0.467 19586 10619 1 16 . 1 1 49 49 GLN H H 49 8.037 8.037 7.768 0.269 19586 10620 1 16 . 1 1 50 50 ASP N N 50 119.284 119.284 118.521 0.763 19586 10621 1 16 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.537 -0.380 19586 10622 1 16 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.475 -1.769 19586 10623 1 16 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.771 -3.199 19586 10624 1 16 . 1 1 50 50 ASP H H 50 8.010 8.010 7.905 0.105 19586 10625 1 16 . 1 1 51 51 MET N N 51 119.245 119.245 117.461 1.784 19586 10626 1 16 . 1 1 51 51 MET HA H 51 3.923 3.923 4.519 -0.596 19586 10627 1 16 . 1 1 51 51 MET CA C 51 56.563 56.563 56.910 -0.347 19586 10628 1 16 . 1 1 51 51 MET CB C 51 29.478 29.478 34.312 -4.835 19586 10629 1 16 . 1 1 51 51 MET H H 51 7.614 7.614 7.517 0.097 19586 10630 1 16 . 1 1 52 52 ILE N N 52 117.584 117.584 120.579 -2.995 19586 10631 1 16 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.686 -0.358 19586 10632 1 16 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.135 -3.245 19586 10633 1 16 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.733 -3.239 19586 10634 1 16 . 1 1 52 52 ILE H H 52 7.514 7.514 8.941 -1.427 19586 10635 1 16 . 1 1 53 53 ASN N N 53 117.126 117.126 117.205 -0.079 19586 10636 1 16 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.665 -0.443 19586 10637 1 16 . 1 1 53 53 ASN CA C 53 53.093 53.093 55.580 -2.487 19586 10638 1 16 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.815 -3.522 19586 10639 1 16 . 1 1 53 53 ASN H H 53 8.418 8.418 7.588 0.830 19586 10640 1 16 . 1 1 54 54 GLU N N 54 116.380 116.380 116.357 0.023 19586 10641 1 16 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.251 -0.348 19586 10642 1 16 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.068 -1.945 19586 10643 1 16 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.509 -4.109 19586 10644 1 16 . 1 1 54 54 GLU H H 54 7.466 7.466 8.224 -0.758 19586 10645 1 16 . 1 1 55 55 VAL N N 55 108.622 108.622 112.117 -3.495 19586 10646 1 16 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.276 0.038 19586 10647 1 16 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.779 -3.603 19586 10648 1 16 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.565 -1.403 19586 10649 1 16 . 1 1 55 55 VAL H H 55 7.044 7.044 7.719 -0.675 19586 10650 1 16 . 1 1 56 56 ASP N N 56 121.430 121.430 120.914 0.516 19586 10651 1 16 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.621 -0.231 19586 10652 1 16 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.868 -1.877 19586 10653 1 16 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.498 -1.601 19586 10654 1 16 . 1 1 56 56 ASP H H 56 7.561 7.561 7.946 -0.385 19586 10655 1 16 . 1 1 57 57 ALA N N 57 131.840 131.840 124.097 7.743 19586 10656 1 16 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.135 -0.082 19586 10657 1 16 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.545 -3.065 19586 10658 1 16 . 1 1 57 57 ALA CB C 57 16.793 16.793 18.957 -2.164 19586 10659 1 16 . 1 1 57 57 ALA H H 57 8.357 8.357 8.165 0.192 19586 10660 1 16 . 1 1 58 58 ASP N N 58 113.565 113.565 116.963 -3.398 19586 10661 1 16 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.698 -0.208 19586 10662 1 16 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.200 -3.284 19586 10663 1 16 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.262 -4.488 19586 10664 1 16 . 1 1 58 58 ASP H H 58 7.985 7.985 8.247 -0.262 19586 10665 1 16 . 1 1 59 59 GLY N N 59 108.187 108.187 109.561 -1.374 19586 10666 1 16 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.205 -1.714 19586 10667 1 16 . 1 1 59 59 GLY H H 59 7.424 7.424 7.696 -0.272 19586 10668 1 16 . 1 1 60 60 ASN N N 60 118.065 118.065 120.754 -2.689 19586 10669 1 16 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.702 -0.256 19586 10670 1 16 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.425 -3.656 19586 10671 1 16 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.998 -2.444 19586 10672 1 16 . 1 1 60 60 ASN H H 60 7.919 7.919 8.491 -0.572 19586 10673 1 16 . 1 1 61 61 GLY N N 61 113.247 113.247 107.238 6.009 19586 10674 1 16 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.445 -3.567 19586 10675 1 16 . 1 1 61 61 GLY H H 61 10.485 10.485 8.700 1.785 19586 10676 1 16 . 1 1 62 62 THR N N 62 108.699 108.699 112.139 -3.440 19586 10677 1 16 . 1 1 62 62 THR HA H 62 4.580 4.580 4.462 0.118 19586 10678 1 16 . 1 1 62 62 THR CA C 62 56.661 56.661 60.696 -4.035 19586 10679 1 16 . 1 1 62 62 THR H H 62 7.511 7.511 7.334 0.177 19586 10680 1 16 . 1 1 63 63 ILE N N 63 122.834 122.834 119.552 3.282 19586 10681 1 16 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.464 0.590 19586 10682 1 16 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.212 -2.111 19586 10683 1 16 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.866 -4.522 19586 10684 1 16 . 1 1 63 63 ILE H H 63 8.741 8.741 8.095 0.646 19586 10685 1 16 . 1 1 64 64 ASP N N 64 127.818 127.818 120.628 7.190 19586 10686 1 16 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.470 -0.232 19586 10687 1 16 . 1 1 64 64 ASP CA C 64 49.378 49.378 51.826 -2.448 19586 10688 1 16 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.976 -7.194 19586 10689 1 16 . 1 1 64 64 ASP H H 64 8.702 8.702 8.528 0.174 19586 10690 1 16 . 1 1 65 65 PHE N N 65 118.653 118.653 119.430 -0.777 19586 10691 1 16 . 1 1 65 65 PHE HA H 65 3.861 3.861 3.902 -0.041 19586 10692 1 16 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.163 -2.446 19586 10693 1 16 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.172 -4.046 19586 10694 1 16 . 1 1 65 65 PHE H H 65 8.847 8.847 8.820 0.027 19586 10695 1 16 . 1 1 67 67 GLU N N 67 117.631 117.631 117.332 0.299 19586 10696 1 16 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.130 -0.227 19586 10697 1 16 . 1 1 67 67 GLU CA C 67 56.337 56.337 59.080 -2.743 19586 10698 1 16 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.854 -2.809 19586 10699 1 16 . 1 1 67 67 GLU H H 67 7.940 7.940 8.822 -0.882 19586 10700 1 16 . 1 1 68 68 PHE N N 68 123.289 123.289 120.289 3.000 19586 10701 1 16 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.338 -0.498 19586 10702 1 16 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.166 -2.439 19586 10703 1 16 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.483 -1.911 19586 10704 1 16 . 1 1 68 68 PHE H H 68 8.757 8.757 7.713 1.044 19586 10705 1 16 . 1 1 69 69 LEU N N 69 118.867 118.867 117.666 1.201 19586 10706 1 16 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.200 -0.955 19586 10707 1 16 . 1 1 69 69 LEU CA C 69 55.158 55.158 57.637 -2.479 19586 10708 1 16 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.510 -3.254 19586 10709 1 16 . 1 1 69 69 LEU H H 69 8.403 8.403 7.735 0.668 19586 10710 1 16 . 1 1 70 70 THR N N 70 116.302 116.302 111.331 4.971 19586 10711 1 16 . 1 1 70 70 THR HA H 70 3.624 3.624 4.076 -0.452 19586 10712 1 16 . 1 1 70 70 THR CA C 70 63.843 63.843 65.365 -1.522 19586 10713 1 16 . 1 1 70 70 THR CB C 70 65.502 65.502 68.667 -3.165 19586 10714 1 16 . 1 1 70 70 THR H H 70 7.540 7.540 7.507 0.033 19586 10715 1 16 . 1 1 71 71 MET N N 71 121.710 121.710 120.972 0.738 19586 10716 1 16 . 1 1 71 71 MET HA H 71 3.903 3.903 4.297 -0.394 19586 10717 1 16 . 1 1 71 71 MET CA C 71 56.303 56.303 57.688 -1.385 19586 10718 1 16 . 1 1 71 71 MET CB C 71 29.706 29.706 31.525 -1.819 19586 10719 1 16 . 1 1 71 71 MET H H 71 7.723 7.723 7.477 0.246 19586 10720 1 16 . 1 1 72 72 MET N N 72 116.535 116.535 118.092 -1.557 19586 10721 1 16 . 1 1 72 72 MET HA H 72 3.773 3.773 4.277 -0.504 19586 10722 1 16 . 1 1 72 72 MET CA C 72 53.307 53.307 56.610 -3.303 19586 10723 1 16 . 1 1 72 72 MET CB C 72 28.787 28.787 32.075 -3.288 19586 10724 1 16 . 1 1 72 72 MET H H 72 7.982 7.982 7.495 0.487 19586 10725 1 16 . 1 1 73 73 ALA N N 73 121.584 121.584 122.325 -0.741 19586 10726 1 16 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.053 -0.173 19586 10727 1 16 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.657 -2.562 19586 10728 1 16 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.267 -2.925 19586 10729 1 16 . 1 1 73 73 ALA H H 73 8.074 8.074 7.424 0.650 19586 10730 1 16 . 1 1 74 74 ARG N N 74 115.784 115.784 117.358 -1.574 19586 10731 1 16 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.113 -0.210 19586 10732 1 16 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.466 -2.735 19586 10733 1 16 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.264 -2.277 19586 10734 1 16 . 1 1 74 74 ARG H H 74 7.358 7.358 7.673 -0.315 19586 10735 1 16 . 1 1 75 75 LYS N N 75 117.245 117.245 117.926 -0.681 19586 10736 1 16 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.241 -0.292 19586 10737 1 16 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.879 -3.932 19586 10738 1 16 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.583 -6.183 19586 10739 1 16 . 1 1 75 75 LYS H H 75 7.640 7.640 7.705 -0.065 19586 10740 1 16 . 1 1 76 76 MET N N 76 117.971 117.971 120.376 -2.405 19586 10741 1 16 . 1 1 76 76 MET HA H 76 4.242 4.242 4.409 -0.167 19586 10742 1 16 . 1 1 76 76 MET CA C 76 53.947 53.947 54.976 -1.029 19586 10743 1 16 . 1 1 76 76 MET CB C 76 29.478 29.478 31.923 -2.445 19586 10744 1 16 . 1 1 76 76 MET H H 76 7.794 7.794 7.640 0.154 19586 10745 1 16 . 1 1 77 77 LYS N N 77 119.902 119.902 122.346 -2.444 19586 10746 1 16 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.379 -0.227 19586 10747 1 16 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.833 -1.550 19586 10748 1 16 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.148 -0.670 19586 10749 1 16 . 1 1 77 77 LYS H H 77 7.622 7.622 7.501 0.121 19586 10750 1 16 . 1 1 78 78 ASP N N 78 119.146 119.146 118.955 0.191 19586 10751 1 16 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.364 -0.121 19586 10752 1 16 . 1 1 78 78 ASP CA C 78 52.061 52.061 55.035 -2.974 19586 10753 1 16 . 1 1 78 78 ASP H H 78 7.991 7.991 8.163 -0.172 19586 10754 1 16 . 1 1 79 79 THR N N 79 112.750 112.750 113.515 -0.765 19586 10755 1 16 . 1 1 79 79 THR HA H 79 4.170 4.170 4.352 -0.182 19586 10756 1 16 . 1 1 79 79 THR CA C 79 59.030 59.030 61.619 -2.589 19586 10757 1 16 . 1 1 79 79 THR CB C 79 67.668 67.668 70.080 -2.412 19586 10758 1 16 . 1 1 79 79 THR H H 79 7.587 7.587 7.981 -0.394 19586 10759 1 16 . 1 1 80 80 ASP N N 80 122.888 122.888 121.784 1.104 19586 10760 1 16 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.772 -0.401 19586 10761 1 16 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.458 -3.607 19586 10762 1 16 . 1 1 80 80 ASP CB C 80 37.353 37.353 41.890 -4.537 19586 10763 1 16 . 1 1 80 80 ASP H H 80 8.354 8.354 8.398 -0.044 19586 10764 1 16 . 1 1 81 81 SER N N 81 117.571 117.571 116.934 0.637 19586 10765 1 16 . 1 1 81 81 SER HA H 81 4.115 4.115 4.237 -0.122 19586 10766 1 16 . 1 1 81 81 SER CA C 81 57.717 57.717 60.505 -2.788 19586 10767 1 16 . 1 1 81 81 SER CB C 81 60.884 60.884 63.730 -2.846 19586 10768 1 16 . 1 1 81 81 SER H H 81 8.232 8.232 8.580 -0.348 19586 10769 1 16 . 1 1 82 82 GLU N N 82 121.860 121.860 120.999 0.861 19586 10770 1 16 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.079 -0.196 19586 10771 1 16 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.892 -3.185 19586 10772 1 16 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.078 0.514 19586 10773 1 16 . 1 1 82 82 GLU H H 82 8.364 8.364 8.827 -0.463 19586 10774 1 16 . 1 1 83 83 GLU N N 83 119.398 119.398 116.766 2.632 19586 10775 1 16 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.142 -0.259 19586 10776 1 16 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.568 -2.962 19586 10777 1 16 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.052 0.312 19586 10778 1 16 . 1 1 83 83 GLU H H 83 8.032 8.032 8.826 -0.794 19586 10779 1 16 . 1 1 84 84 GLU N N 84 118.279 118.279 119.358 -1.079 19586 10780 1 16 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.188 -0.317 19586 10781 1 16 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.381 -1.775 19586 10782 1 16 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.547 -3.730 19586 10783 1 16 . 1 1 84 84 GLU H H 84 8.153 8.153 7.772 0.381 19586 10784 1 16 . 1 1 85 85 ILE N N 85 120.970 120.970 120.801 0.169 19586 10785 1 16 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.925 -0.313 19586 10786 1 16 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.826 -1.387 19586 10787 1 16 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.479 -3.871 19586 10788 1 16 . 1 1 85 85 ILE H H 85 7.927 7.927 8.128 -0.201 19586 10789 1 16 . 1 1 86 86 ARG N N 86 121.766 121.766 118.299 3.467 19586 10790 1 16 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.236 -0.228 19586 10791 1 16 . 1 1 86 86 ARG CA C 86 57.515 57.515 58.416 -0.901 19586 10792 1 16 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.018 -3.162 19586 10793 1 16 . 1 1 86 86 ARG H H 86 8.233 8.233 8.534 -0.301 19586 10794 1 16 . 1 1 87 87 GLU N N 87 118.369 118.369 118.838 -0.469 19586 10795 1 16 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.291 -0.389 19586 10796 1 16 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.114 -1.508 19586 10797 1 16 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.065 -3.248 19586 10798 1 16 . 1 1 87 87 GLU H H 87 8.156 8.156 7.965 0.191 19586 10799 1 16 . 1 1 88 88 ALA N N 88 120.337 120.337 119.283 1.054 19586 10800 1 16 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.525 -0.576 19586 10801 1 16 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.511 -0.248 19586 10802 1 16 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.776 -4.696 19586 10803 1 16 . 1 1 88 88 ALA H H 88 7.877 7.877 7.458 0.419 19586 10804 1 16 . 1 1 89 89 PHE N N 89 118.191 118.191 120.715 -2.524 19586 10805 1 16 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.359 -1.244 19586 10806 1 16 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.808 -2.105 19586 10807 1 16 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.776 -3.002 19586 10808 1 16 . 1 1 89 89 PHE H H 89 8.459 8.459 8.068 0.391 19586 10809 1 16 . 1 1 90 90 ARG N N 90 115.953 115.953 117.612 -1.659 19586 10810 1 16 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.684 -0.779 19586 10811 1 16 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.333 -2.165 19586 10812 1 16 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.794 -2.140 19586 10813 1 16 . 1 1 90 90 ARG H H 90 7.764 7.764 7.853 -0.089 19586 10814 1 16 . 1 1 91 91 VAL N N 91 118.202 118.202 117.408 0.794 19586 10815 1 16 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.867 -0.582 19586 10816 1 16 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.209 -1.852 19586 10817 1 16 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.834 -3.390 19586 10818 1 16 . 1 1 91 91 VAL H H 91 7.229 7.229 7.500 -0.271 19586 10819 1 16 . 1 1 92 92 PHE N N 92 112.447 112.447 117.975 -5.528 19586 10820 1 16 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.345 -0.400 19586 10821 1 16 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.975 -0.946 19586 10822 1 16 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.465 -1.627 19586 10823 1 16 . 1 1 92 92 PHE H H 92 6.699 6.699 7.519 -0.820 19586 10824 1 16 . 1 1 93 93 ASP N N 93 116.461 116.461 117.968 -1.507 19586 10825 1 16 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.632 -0.156 19586 10826 1 16 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.566 -4.041 19586 10827 1 16 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.714 -5.531 19586 10828 1 16 . 1 1 93 93 ASP H H 93 7.881 7.881 8.309 -0.428 19586 10829 1 16 . 1 1 94 94 LYS N N 94 125.494 125.494 123.352 2.142 19586 10830 1 16 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.086 -0.418 19586 10831 1 16 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.627 -2.651 19586 10832 1 16 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.263 -0.849 19586 10833 1 16 . 1 1 94 94 LYS H H 94 7.596 7.596 8.445 -0.849 19586 10834 1 16 . 1 1 95 95 ASP N N 95 114.015 114.015 117.723 -3.708 19586 10835 1 16 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.665 -0.250 19586 10836 1 16 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.866 -4.559 19586 10837 1 16 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.940 -5.166 19586 10838 1 16 . 1 1 95 95 ASP H H 95 8.097 8.097 8.038 0.059 19586 10839 1 16 . 1 1 96 96 GLY N N 96 109.147 109.147 108.490 0.657 19586 10840 1 16 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.276 -0.932 19586 10841 1 16 . 1 1 96 96 GLY H H 96 7.677 7.677 8.617 -0.940 19586 10842 1 16 . 1 1 97 97 ASN N N 97 119.575 119.575 118.469 1.106 19586 10843 1 16 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.875 -0.375 19586 10844 1 16 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.657 -2.741 19586 10845 1 16 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.566 -4.383 19586 10846 1 16 . 1 1 97 97 ASN H H 97 8.252 8.252 8.351 -0.099 19586 10847 1 16 . 1 1 98 98 GLY N N 98 112.465 112.465 107.129 5.336 19586 10848 1 16 . 1 1 98 98 GLY CA C 98 42.292 42.292 46.022 -3.730 19586 10849 1 16 . 1 1 98 98 GLY H H 98 10.462 10.462 8.456 2.006 19586 10850 1 16 . 1 1 99 99 TYR N N 99 116.256 116.256 118.267 -2.011 19586 10851 1 16 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.913 -0.031 19586 10852 1 16 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.502 -2.920 19586 10853 1 16 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.657 -1.676 19586 10854 1 16 . 1 1 99 99 TYR H H 99 7.557 7.557 7.740 -0.183 19586 10855 1 16 . 1 1 100 100 ILE N N 100 126.957 126.957 120.956 6.001 19586 10856 1 16 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.375 0.082 19586 10857 1 16 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.562 -1.946 19586 10858 1 16 . 1 1 100 100 ILE CB C 100 36.432 36.432 40.428 -3.996 19586 10859 1 16 . 1 1 100 100 ILE H H 100 9.972 9.972 8.999 0.973 19586 10860 1 16 . 1 1 101 101 SER N N 101 123.739 123.739 122.636 1.103 19586 10861 1 16 . 1 1 101 101 SER HA H 101 4.711 4.711 4.375 0.336 19586 10862 1 16 . 1 1 101 101 SER CA C 101 52.897 52.897 58.923 -6.026 19586 10863 1 16 . 1 1 101 101 SER CB C 101 64.134 64.134 64.064 0.070 19586 10864 1 16 . 1 1 101 101 SER H H 101 8.844 8.844 8.700 0.144 19586 10865 1 16 . 1 1 102 102 ALA N N 102 123.028 123.028 127.524 -4.496 19586 10866 1 16 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.135 -0.424 19586 10867 1 16 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.962 -1.869 19586 10868 1 16 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.863 -3.749 19586 10869 1 16 . 1 1 102 102 ALA H H 102 9.178 9.178 8.800 0.378 19586 10870 1 16 . 1 1 103 103 ALA N N 103 118.443 118.443 118.223 0.220 19586 10871 1 16 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.382 -0.521 19586 10872 1 16 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.045 -0.636 19586 10873 1 16 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.753 -2.297 19586 10874 1 16 . 1 1 103 103 ALA H H 103 8.132 8.132 8.242 -0.110 19586 10875 1 16 . 1 1 104 104 GLU N N 104 120.139 120.139 120.220 -0.081 19586 10876 1 16 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.079 -0.240 19586 10877 1 16 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.335 -2.772 19586 10878 1 16 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.480 -3.080 19586 10879 1 16 . 1 1 104 104 GLU H H 104 7.786 7.786 7.535 0.251 19586 10880 1 16 . 1 1 105 105 LEU N N 105 121.545 121.545 119.245 2.300 19586 10881 1 16 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.790 0.112 19586 10882 1 16 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.815 -2.083 19586 10883 1 16 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.523 -1.314 19586 10884 1 16 . 1 1 105 105 LEU H H 105 8.240 8.240 7.911 0.329 19586 10885 1 16 . 1 1 106 106 ARG N N 106 118.625 118.625 117.966 0.659 19586 10886 1 16 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.957 -0.118 19586 10887 1 16 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.942 -1.597 19586 10888 1 16 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.333 1.057 19586 10889 1 16 . 1 1 106 106 ARG H H 106 8.761 8.761 8.305 0.456 19586 10890 1 16 . 1 1 107 107 HIS N N 107 119.052 119.052 118.745 0.307 19586 10891 1 16 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.388 -0.486 19586 10892 1 16 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.498 -2.691 19586 10893 1 16 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.835 -3.638 19586 10894 1 16 . 1 1 107 107 HIS H H 107 7.946 7.946 7.277 0.669 19586 10895 1 16 . 1 1 108 108 VAL N N 108 119.160 119.160 120.170 -1.010 19586 10896 1 16 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.654 -0.212 19586 10897 1 16 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.942 -1.657 19586 10898 1 16 . 1 1 108 108 VAL CB C 108 28.908 28.908 32.008 -3.100 19586 10899 1 16 . 1 1 108 108 VAL H H 108 7.736 7.736 8.666 -0.930 19586 10900 1 16 . 1 1 109 109 MET N N 109 115.333 115.333 117.290 -1.957 19586 10901 1 16 . 1 1 109 109 MET HA H 109 4.139 4.139 4.147 -0.008 19586 10902 1 16 . 1 1 109 109 MET CA C 109 54.686 54.686 57.349 -2.663 19586 10903 1 16 . 1 1 109 109 MET CB C 109 29.706 29.706 31.110 -1.404 19586 10904 1 16 . 1 1 109 109 MET H H 109 8.074 8.074 8.497 -0.423 19586 10905 1 16 . 1 1 110 110 THR N N 110 116.714 116.714 113.376 3.338 19586 10906 1 16 . 1 1 110 110 THR HA H 110 3.935 3.935 4.099 -0.164 19586 10907 1 16 . 1 1 110 110 THR CA C 110 63.845 63.845 66.331 -2.486 19586 10908 1 16 . 1 1 110 110 THR CB C 110 66.072 66.072 68.273 -2.201 19586 10909 1 16 . 1 1 110 110 THR H H 110 8.515 8.515 7.716 0.799 19586 10910 1 16 . 1 1 111 111 ASN N N 111 123.784 123.784 120.404 3.380 19586 10911 1 16 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.556 -0.314 19586 10912 1 16 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.023 -1.930 19586 10913 1 16 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.361 -3.069 19586 10914 1 16 . 1 1 111 111 ASN H H 111 7.890 7.890 7.707 0.183 19586 10915 1 16 . 1 1 112 112 LEU N N 112 118.227 118.227 117.091 1.136 19586 10916 1 16 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.364 -0.249 19586 10917 1 16 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.434 -2.781 19586 10918 1 16 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.303 -2.564 19586 10919 1 16 . 1 1 112 112 LEU H H 112 7.621 7.621 7.414 0.207 19586 10920 1 16 . 1 1 113 113 GLY N N 113 106.787 106.787 106.279 0.508 19586 10921 1 16 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.004 -2.468 19586 10922 1 16 . 1 1 113 113 GLY H H 113 7.701 7.701 7.650 0.051 19586 10923 1 16 . 1 1 114 114 GLU N N 114 120.288 120.288 119.222 1.066 19586 10924 1 16 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.546 -0.304 19586 10925 1 16 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.789 -1.722 19586 10926 1 16 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.227 -3.611 19586 10927 1 16 . 1 1 114 114 GLU H H 114 7.864 7.864 7.791 0.073 19586 10928 1 16 . 1 1 115 115 LYS N N 115 124.987 124.987 126.033 -1.046 19586 10929 1 16 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.180 0.043 19586 10930 1 16 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.646 -3.798 19586 10931 1 16 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.492 -0.535 19586 10932 1 16 . 1 1 115 115 LYS H H 115 8.491 8.491 8.412 0.079 19586 10933 1 16 . 1 1 116 116 LEU N N 116 124.912 124.912 121.484 3.428 19586 10934 1 16 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.787 -0.075 19586 10935 1 16 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.447 -1.358 19586 10936 1 16 . 1 1 116 116 LEU CB C 116 42.588 42.588 43.824 -1.236 19586 10937 1 16 . 1 1 116 116 LEU H H 116 7.978 7.978 7.698 0.280 19586 10938 1 16 . 1 1 117 117 THR N N 117 114.220 114.220 113.524 0.696 19586 10939 1 16 . 1 1 117 117 THR HA H 117 4.302 4.302 4.467 -0.165 19586 10940 1 16 . 1 1 117 117 THR CA C 117 57.834 57.834 60.453 -2.619 19586 10941 1 16 . 1 1 117 117 THR CB C 117 68.580 68.580 70.544 -1.964 19586 10942 1 16 . 1 1 117 117 THR H H 117 9.093 9.093 8.084 1.009 19586 10943 1 16 . 1 1 118 118 ASP N N 118 120.925 120.925 121.568 -0.643 19586 10944 1 16 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.265 -0.207 19586 10945 1 16 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.880 -2.637 19586 10946 1 16 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.721 -3.719 19586 10947 1 16 . 1 1 118 118 ASP H H 118 8.764 8.764 8.714 0.050 19586 10948 1 16 . 1 1 119 119 GLU N N 119 119.395 119.395 117.824 1.571 19586 10949 1 16 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.994 -0.067 19586 10950 1 16 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.283 -2.134 19586 10951 1 16 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.814 -2.883 19586 10952 1 16 . 1 1 119 119 GLU H H 119 8.509 8.509 8.788 -0.279 19586 10953 1 16 . 1 1 120 120 GLU N N 120 119.909 119.909 118.769 1.140 19586 10954 1 16 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.155 -0.259 19586 10955 1 16 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.493 -2.174 19586 10956 1 16 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.809 -3.979 19586 10957 1 16 . 1 1 120 120 GLU H H 120 7.585 7.585 7.719 -0.134 19586 10958 1 16 . 1 1 121 121 VAL N N 121 122.092 122.092 116.954 5.138 19586 10959 1 16 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.930 -0.488 19586 10960 1 16 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.005 0.085 19586 10961 1 16 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.514 -2.834 19586 10962 1 16 . 1 1 121 121 VAL H H 121 7.849 7.849 7.235 0.614 19586 10963 1 16 . 1 1 122 122 ASP N N 122 120.167 120.167 121.199 -1.032 19586 10964 1 16 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.273 -0.116 19586 10965 1 16 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.291 -3.390 19586 10966 1 16 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.902 -3.330 19586 10967 1 16 . 1 1 122 122 ASP H H 122 7.912 7.912 8.707 -0.795 19586 10968 1 16 . 1 1 123 123 GLU N N 123 119.087 119.087 118.470 0.617 19586 10969 1 16 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.113 -0.217 19586 10970 1 16 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.893 -2.281 19586 10971 1 16 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.610 -3.438 19586 10972 1 16 . 1 1 123 123 GLU H H 123 7.839 7.839 7.751 0.088 19586 10973 1 16 . 1 1 124 124 MET N N 124 118.897 118.897 118.208 0.689 19586 10974 1 16 . 1 1 124 124 MET HA H 124 3.867 3.867 4.240 -0.373 19586 10975 1 16 . 1 1 124 124 MET CA C 124 56.905 56.905 59.212 -2.307 19586 10976 1 16 . 1 1 124 124 MET CB C 124 29.250 29.250 33.177 -3.927 19586 10977 1 16 . 1 1 124 124 MET H H 124 7.433 7.433 7.422 0.011 19586 10978 1 16 . 1 1 125 125 ILE N N 125 118.001 118.001 116.148 1.853 19586 10979 1 16 . 1 1 125 125 ILE HA H 125 3.380 3.380 3.908 -0.528 19586 10980 1 16 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.189 -4.058 19586 10981 1 16 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.522 -4.282 19586 10982 1 16 . 1 1 125 125 ILE H H 125 7.658 7.658 8.523 -0.865 19586 10983 1 16 . 1 1 126 126 ARG N N 126 117.720 117.720 119.569 -1.849 19586 10984 1 16 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.076 -0.193 19586 10985 1 16 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.446 -2.773 19586 10986 1 16 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.233 -0.755 19586 10987 1 16 . 1 1 126 126 ARG H H 126 7.974 7.974 8.106 -0.132 19586 10988 1 16 . 1 1 127 127 GLU N N 127 117.050 117.050 116.396 0.654 19586 10989 1 16 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.249 -0.282 19586 10990 1 16 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.518 -1.199 19586 10991 1 16 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.804 -3.518 19586 10992 1 16 . 1 1 127 127 GLU H H 127 7.635 7.635 7.631 0.004 19586 10993 1 16 . 1 1 128 128 ALA N N 128 116.966 116.966 118.654 -1.688 19586 10994 1 16 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.422 0.078 19586 10995 1 16 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.226 -4.021 19586 10996 1 16 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.287 -0.182 19586 10997 1 16 . 1 1 128 128 ALA H H 128 7.155 7.155 7.355 -0.200 19586 10998 1 16 . 1 1 129 129 ASP N N 129 118.033 118.033 119.350 -1.317 19586 10999 1 16 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.904 -0.553 19586 11000 1 16 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.126 -1.304 19586 11001 1 16 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.978 -4.292 19586 11002 1 16 . 1 1 129 129 ASP H H 129 7.806 7.806 7.676 0.130 19586 11003 1 16 . 1 1 130 130 ILE N N 130 127.927 127.927 121.929 5.998 19586 11004 1 16 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.138 -0.341 19586 11005 1 16 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.727 -2.205 19586 11006 1 16 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.068 -1.978 19586 11007 1 16 . 1 1 130 130 ILE H H 130 8.115 8.115 8.515 -0.400 19586 11008 1 16 . 1 1 131 131 ASP N N 131 116.634 116.634 119.528 -2.894 19586 11009 1 16 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.741 -0.398 19586 11010 1 16 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.488 -2.301 19586 11011 1 16 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.233 -3.765 19586 11012 1 16 . 1 1 131 131 ASP H H 131 8.202 8.202 7.939 0.263 19586 11013 1 16 . 1 1 132 132 GLY N N 132 108.586 108.586 109.001 -0.415 19586 11014 1 16 . 1 1 132 132 GLY CA C 132 44.638 44.638 46.023 -1.385 19586 11015 1 16 . 1 1 132 132 GLY H H 132 7.535 7.535 7.464 0.071 19586 11016 1 16 . 1 1 133 133 ASP N N 133 120.377 120.377 120.277 0.100 19586 11017 1 16 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.606 -0.255 19586 11018 1 16 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.627 -3.685 19586 11019 1 16 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.342 -3.884 19586 11020 1 16 . 1 1 133 133 ASP H H 133 8.215 8.215 8.859 -0.644 19586 11021 1 16 . 1 1 134 134 GLY N N 134 112.226 112.226 107.367 4.859 19586 11022 1 16 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.364 -2.242 19586 11023 1 16 . 1 1 134 134 GLY H H 134 9.971 9.971 8.599 1.372 19586 11024 1 16 . 1 1 135 135 GLN N N 135 115.229 115.229 117.254 -2.025 19586 11025 1 16 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.893 -0.762 19586 11026 1 16 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.683 -4.229 19586 11027 1 16 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.031 -3.417 19586 11028 1 16 . 1 1 135 135 GLN H H 135 7.835 7.835 7.557 0.278 19586 11029 1 16 . 1 1 136 136 VAL N N 136 125.238 125.238 121.284 3.954 19586 11030 1 16 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.334 0.762 19586 11031 1 16 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.543 -1.830 19586 11032 1 16 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.942 -1.526 19586 11033 1 16 . 1 1 136 136 VAL H H 136 8.958 8.958 9.082 -0.124 19586 11034 1 16 . 1 1 137 137 ASN N N 137 129.058 129.058 126.204 2.854 19586 11035 1 16 . 1 1 137 137 ASN HA H 137 5.226 5.226 5.113 0.113 19586 11036 1 16 . 1 1 137 137 ASN CA C 137 48.352 48.352 53.111 -4.760 19586 11037 1 16 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.859 -4.219 19586 11038 1 16 . 1 1 137 137 ASN H H 137 9.435 9.435 8.613 0.822 19586 11039 1 16 . 1 1 138 138 TYR N N 138 118.627 118.627 119.747 -1.120 19586 11040 1 16 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.720 -1.528 19586 11041 1 16 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.997 -1.328 19586 11042 1 16 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.940 -0.368 19586 11043 1 16 . 1 1 138 138 TYR H H 138 8.146 8.146 8.073 0.073 19586 11044 1 16 . 1 1 139 139 GLU N N 139 118.701 118.701 119.281 -0.580 19586 11045 1 16 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.988 -0.477 19586 11046 1 16 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.079 -1.539 19586 11047 1 16 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.811 -2.537 19586 11048 1 16 . 1 1 139 139 GLU H H 139 7.974 7.974 8.075 -0.101 19586 11049 1 16 . 1 1 140 140 GLU N N 140 119.774 119.774 119.618 0.156 19586 11050 1 16 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.118 -0.207 19586 11051 1 16 . 1 1 140 140 GLU CA C 140 56.025 56.025 59.060 -3.035 19586 11052 1 16 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.440 -3.166 19586 11053 1 16 . 1 1 140 140 GLU H H 140 8.676 8.676 7.809 0.867 19586 11054 1 16 . 1 1 141 141 PHE N N 141 124.074 124.074 120.199 3.875 19586 11055 1 16 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.102 -0.455 19586 11056 1 16 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.891 -1.444 19586 11057 1 16 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.039 -1.353 19586 11058 1 16 . 1 1 141 141 PHE H H 141 8.507 8.507 7.620 0.887 19586 11059 1 16 . 1 1 142 142 VAL N N 142 119.203 119.203 114.750 4.453 19586 11060 1 16 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.213 -0.255 19586 11061 1 16 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.486 -1.054 19586 11062 1 16 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.445 -1.537 19586 11063 1 16 . 1 1 142 142 VAL H H 142 8.639 8.639 7.319 1.320 19586 11064 1 16 . 1 1 143 143 GLN N N 143 120.173 120.173 120.506 -0.333 19586 11065 1 16 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.964 -0.293 19586 11066 1 16 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.833 -2.319 19586 11067 1 16 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.565 -3.319 19586 11068 1 16 . 1 1 143 143 GLN H H 143 7.818 7.818 7.401 0.417 19586 11069 1 16 . 1 1 144 144 MET N N 144 118.573 118.573 115.964 2.609 19586 11070 1 16 . 1 1 144 144 MET HA H 144 3.882 3.882 4.270 -0.388 19586 11071 1 16 . 1 1 144 144 MET CA C 144 55.683 55.683 57.756 -2.073 19586 11072 1 16 . 1 1 144 144 MET CB C 144 28.110 28.110 33.071 -4.961 19586 11073 1 16 . 1 1 144 144 MET H H 144 7.403 7.403 7.873 -0.470 19586 11074 1 16 . 1 1 145 145 MET N N 145 114.053 114.053 117.528 -3.475 19586 11075 1 16 . 1 1 145 145 MET HA H 145 3.940 3.940 4.265 -0.325 19586 11076 1 16 . 1 1 145 145 MET CA C 145 53.630 53.630 58.507 -4.877 19586 11077 1 16 . 1 1 145 145 MET CB C 145 29.592 29.592 32.491 -2.899 19586 11078 1 16 . 1 1 145 145 MET H H 145 7.534 7.534 7.016 0.518 19586 11079 1 16 . 1 1 146 146 THR N N 146 109.275 109.275 115.794 -6.519 19586 11080 1 16 . 1 1 146 146 THR HA H 146 4.175 4.175 4.132 0.043 19586 11081 1 16 . 1 1 146 146 THR CA C 146 59.251 59.251 64.465 -5.214 19586 11082 1 16 . 1 1 146 146 THR CB C 146 67.896 67.896 69.093 -1.197 19586 11083 1 16 . 1 1 146 146 THR H H 146 7.554 7.554 8.015 -0.461 19586 11084 1 16 . 1 1 147 147 ALA N N 147 126.913 126.913 123.373 3.540 19586 11085 1 16 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.575 -0.458 19586 11086 1 16 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.323 -1.016 19586 11087 1 16 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.929 -3.593 19586 11088 1 16 . 1 1 147 147 ALA H H 147 7.406 7.406 7.339 0.067 19586 11089 1 17 . 1 1 2 2 ASP N N 2 120.378 120.378 119.619 0.759 19586 11090 1 17 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.680 -0.095 19586 11091 1 17 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.376 -2.416 19586 11092 1 17 . 1 1 2 2 ASP H H 2 8.506 8.506 8.605 -0.099 19586 11093 1 17 . 1 1 3 3 GLN N N 3 119.707 119.707 117.889 1.818 19586 11094 1 17 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.584 -0.372 19586 11095 1 17 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.102 -2.367 19586 11096 1 17 . 1 1 3 3 GLN CB C 3 31.074 31.074 32.006 -0.932 19586 11097 1 17 . 1 1 3 3 GLN H H 3 8.208 8.208 8.005 0.203 19586 11098 1 17 . 1 1 4 4 LEU N N 4 123.069 123.069 118.535 4.534 19586 11099 1 17 . 1 1 4 4 LEU HA H 4 4.140 4.140 5.288 -1.148 19586 11100 1 17 . 1 1 4 4 LEU CA C 4 51.658 51.658 54.963 -3.305 19586 11101 1 17 . 1 1 4 4 LEU CB C 4 39.624 39.624 41.232 -1.608 19586 11102 1 17 . 1 1 4 4 LEU H H 4 8.181 8.181 8.749 -0.568 19586 11103 1 17 . 1 1 5 5 THR N N 5 112.909 112.909 113.554 -0.645 19586 11104 1 17 . 1 1 5 5 THR HA H 5 4.322 4.322 4.401 -0.079 19586 11105 1 17 . 1 1 5 5 THR CA C 5 57.687 57.687 62.663 -4.976 19586 11106 1 17 . 1 1 5 5 THR CB C 5 68.580 68.580 69.923 -1.343 19586 11107 1 17 . 1 1 5 5 THR H H 5 8.607 8.607 7.999 0.608 19586 11108 1 17 . 1 1 6 6 GLU N N 6 120.224 120.224 121.637 -1.413 19586 11109 1 17 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.125 -0.300 19586 11110 1 17 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.286 -2.039 19586 11111 1 17 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.555 -0.419 19586 11112 1 17 . 1 1 6 6 GLU H H 6 8.877 8.877 8.562 0.315 19586 11113 1 17 . 1 1 7 7 GLU N N 7 119.350 119.350 118.704 0.646 19586 11114 1 17 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.109 -0.192 19586 11115 1 17 . 1 1 7 7 GLU CA C 7 57.198 57.198 60.009 -2.811 19586 11116 1 17 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.211 -2.937 19586 11117 1 17 . 1 1 7 7 GLU H H 7 8.524 8.524 8.781 -0.257 19586 11118 1 17 . 1 1 8 8 GLN N N 8 119.917 119.917 117.387 2.530 19586 11119 1 17 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.312 -0.409 19586 11120 1 17 . 1 1 8 8 GLN CA C 8 55.976 55.976 58.063 -2.087 19586 11121 1 17 . 1 1 8 8 GLN CB C 8 26.400 26.400 28.635 -2.235 19586 11122 1 17 . 1 1 8 8 GLN H H 8 7.603 7.603 8.180 -0.577 19586 11123 1 17 . 1 1 9 9 ILE N N 9 119.503 119.503 117.210 2.293 19586 11124 1 17 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.285 -0.646 19586 11125 1 17 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.187 2.609 19586 11126 1 17 . 1 1 9 9 ILE CB C 9 35.178 35.178 37.989 -2.811 19586 11127 1 17 . 1 1 9 9 ILE H H 9 8.260 8.260 7.435 0.825 19586 11128 1 17 . 1 1 10 10 ALA N N 10 121.044 121.044 124.080 -3.036 19586 11129 1 17 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.312 -0.351 19586 11130 1 17 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.506 -1.804 19586 11131 1 17 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.831 -3.717 19586 11132 1 17 . 1 1 10 10 ALA H H 10 7.840 7.840 7.997 -0.157 19586 11133 1 17 . 1 1 11 11 GLU N N 11 119.113 119.113 117.791 1.322 19586 11134 1 17 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.486 -0.578 19586 11135 1 17 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.895 -1.332 19586 11136 1 17 . 1 1 11 11 GLU CB C 11 26.400 26.400 30.258 -3.858 19586 11137 1 17 . 1 1 11 11 GLU H H 11 7.635 7.635 7.908 -0.273 19586 11138 1 17 . 1 1 12 12 PHE N N 12 119.574 119.574 120.667 -1.093 19586 11139 1 17 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.386 0.400 19586 11140 1 17 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.479 -4.525 19586 11141 1 17 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.599 -4.535 19586 11142 1 17 . 1 1 12 12 PHE H H 12 8.441 8.441 7.821 0.620 19586 11143 1 17 . 1 1 13 13 LYS N N 13 123.454 123.454 119.089 4.365 19586 11144 1 17 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.324 -0.421 19586 11145 1 17 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.322 -1.026 19586 11146 1 17 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.096 -2.504 19586 11147 1 17 . 1 1 13 13 LYS H H 13 9.103 9.103 7.798 1.305 19586 11148 1 17 . 1 1 14 14 GLU N N 14 119.525 119.525 117.455 2.070 19586 11149 1 17 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.462 -0.551 19586 11150 1 17 . 1 1 14 14 GLU CA C 14 56.465 56.465 58.708 -2.243 19586 11151 1 17 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.401 -3.899 19586 11152 1 17 . 1 1 14 14 GLU H H 14 7.667 7.667 8.172 -0.505 19586 11153 1 17 . 1 1 15 15 ALA N N 15 121.983 121.983 123.577 -1.594 19586 11154 1 17 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.261 -0.299 19586 11155 1 17 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.987 -2.236 19586 11156 1 17 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.640 -3.412 19586 11157 1 17 . 1 1 15 15 ALA H H 15 7.816 7.816 7.829 -0.013 19586 11158 1 17 . 1 1 16 16 PHE N N 16 118.874 118.874 119.271 -0.397 19586 11159 1 17 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.255 -1.160 19586 11160 1 17 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.290 -0.746 19586 11161 1 17 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.358 -2.584 19586 11162 1 17 . 1 1 16 16 PHE H H 16 8.764 8.764 8.407 0.357 19586 11163 1 17 . 1 1 17 17 SER N N 17 111.578 111.578 113.735 -2.157 19586 11164 1 17 . 1 1 17 17 SER HA H 17 3.979 3.979 4.213 -0.234 19586 11165 1 17 . 1 1 17 17 SER CA C 17 58.567 58.567 61.139 -2.572 19586 11166 1 17 . 1 1 17 17 SER CB C 17 60.600 60.600 62.963 -2.363 19586 11167 1 17 . 1 1 17 17 SER H H 17 7.825 7.825 8.245 -0.420 19586 11168 1 17 . 1 1 18 18 LEU N N 18 121.167 121.167 120.815 0.352 19586 11169 1 17 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.016 -0.069 19586 11170 1 17 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.334 -2.726 19586 11171 1 17 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.195 -2.557 19586 11172 1 17 . 1 1 18 18 LEU H H 18 7.240 7.240 7.448 -0.208 19586 11173 1 17 . 1 1 19 19 PHE N N 19 114.405 114.405 117.326 -2.921 19586 11174 1 17 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.394 -0.483 19586 11175 1 17 . 1 1 19 19 PHE CA C 19 57.247 57.247 60.334 -3.087 19586 11176 1 17 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.812 -6.002 19586 11177 1 17 . 1 1 19 19 PHE H H 19 7.090 7.090 7.928 -0.838 19586 11178 1 17 . 1 1 20 20 ASP N N 20 115.823 115.823 119.761 -3.938 19586 11179 1 17 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.455 0.021 19586 11180 1 17 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.803 -5.327 19586 11181 1 17 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.015 -2.233 19586 11182 1 17 . 1 1 20 20 ASP H H 20 7.662 7.662 7.779 -0.117 19586 11183 1 17 . 1 1 21 21 LYS N N 21 124.906 124.906 123.118 1.788 19586 11184 1 17 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.087 -0.301 19586 11185 1 17 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.009 -1.984 19586 11186 1 17 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.350 -2.650 19586 11187 1 17 . 1 1 21 21 LYS H H 21 7.539 7.539 8.092 -0.553 19586 11188 1 17 . 1 1 22 22 ASP N N 22 113.550 113.550 118.110 -4.560 19586 11189 1 17 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.612 -0.181 19586 11190 1 17 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.241 -5.276 19586 11191 1 17 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.266 -4.492 19586 11192 1 17 . 1 1 22 22 ASP H H 22 7.965 7.965 7.662 0.303 19586 11193 1 17 . 1 1 23 23 GLY N N 23 109.354 109.354 106.780 2.574 19586 11194 1 17 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.204 -1.762 19586 11195 1 17 . 1 1 23 23 GLY H H 23 7.606 7.606 8.588 -0.982 19586 11196 1 17 . 1 1 24 24 ASP N N 24 120.643 120.643 120.630 0.013 19586 11197 1 17 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.737 -0.382 19586 11198 1 17 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.914 -2.874 19586 11199 1 17 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.033 -3.348 19586 11200 1 17 . 1 1 24 24 ASP H H 24 8.266 8.266 8.331 -0.065 19586 11201 1 17 . 1 1 25 25 GLY N N 25 113.205 113.205 106.362 6.843 19586 11202 1 17 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.140 -2.457 19586 11203 1 17 . 1 1 25 25 GLY H H 25 10.545 10.545 8.358 2.187 19586 11204 1 17 . 1 1 26 26 THR N N 26 112.852 112.852 109.474 3.378 19586 11205 1 17 . 1 1 26 26 THR HA H 26 5.170 5.170 5.715 -0.545 19586 11206 1 17 . 1 1 26 26 THR CA C 26 56.954 56.954 59.959 -3.005 19586 11207 1 17 . 1 1 26 26 THR CB C 26 69.948 69.948 71.793 -1.845 19586 11208 1 17 . 1 1 26 26 THR H H 26 8.020 8.020 7.499 0.521 19586 11209 1 17 . 1 1 27 27 ILE N N 27 127.005 127.005 120.474 6.531 19586 11210 1 17 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.505 -0.678 19586 11211 1 17 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.036 -1.105 19586 11212 1 17 . 1 1 27 27 ILE CB C 27 37.230 37.230 41.127 -3.897 19586 11213 1 17 . 1 1 27 27 ILE H H 27 9.689 9.689 7.881 1.808 19586 11214 1 17 . 1 1 28 28 THR N N 28 116.439 116.439 117.226 -0.787 19586 11215 1 17 . 1 1 28 28 THR HA H 28 4.642 4.642 4.323 0.319 19586 11216 1 17 . 1 1 28 28 THR CA C 28 56.612 56.612 62.894 -6.282 19586 11217 1 17 . 1 1 28 28 THR CB C 28 69.606 69.606 69.440 0.166 19586 11218 1 17 . 1 1 28 28 THR H H 28 8.275 8.275 8.655 -0.380 19586 11219 1 17 . 1 1 29 29 THR N N 29 113.287 113.287 118.900 -5.613 19586 11220 1 17 . 1 1 29 29 THR HA H 29 3.635 3.635 4.134 -0.499 19586 11221 1 17 . 1 1 29 29 THR CA C 29 63.845 63.845 65.225 -1.380 19586 11222 1 17 . 1 1 29 29 THR CB C 29 65.616 65.616 68.811 -3.195 19586 11223 1 17 . 1 1 29 29 THR H H 29 9.054 9.054 8.708 0.346 19586 11224 1 17 . 1 1 30 30 LYS N N 30 121.230 121.230 118.926 2.304 19586 11225 1 17 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.119 -0.216 19586 11226 1 17 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.562 -2.098 19586 11227 1 17 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.013 -2.313 19586 11228 1 17 . 1 1 30 30 LYS H H 30 7.578 7.578 8.350 -0.772 19586 11229 1 17 . 1 1 31 31 GLU N N 31 122.002 122.002 118.274 3.728 19586 11230 1 17 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.176 -0.313 19586 11231 1 17 . 1 1 31 31 GLU CA C 31 57.149 57.149 58.743 -1.594 19586 11232 1 17 . 1 1 31 31 GLU CB C 31 26.058 26.058 30.016 -3.958 19586 11233 1 17 . 1 1 31 31 GLU H H 31 7.712 7.712 7.371 0.341 19586 11234 1 17 . 1 1 32 32 LEU N N 32 119.130 119.130 119.956 -0.826 19586 11235 1 17 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.093 -0.168 19586 11236 1 17 . 1 1 32 32 LEU CA C 32 55.529 55.529 57.808 -2.279 19586 11237 1 17 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.777 -1.796 19586 11238 1 17 . 1 1 32 32 LEU H H 32 8.509 8.509 7.700 0.809 19586 11239 1 17 . 1 1 33 33 GLY N N 33 103.747 103.747 104.674 -0.927 19586 11240 1 17 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.813 -1.149 19586 11241 1 17 . 1 1 33 33 GLY H H 33 8.388 8.388 7.911 0.477 19586 11242 1 17 . 1 1 34 34 THR N N 34 117.487 117.487 117.551 -0.064 19586 11243 1 17 . 1 1 34 34 THR HA H 34 3.795 3.795 4.192 -0.397 19586 11244 1 17 . 1 1 34 34 THR CA C 34 64.285 64.285 63.856 0.429 19586 11245 1 17 . 1 1 34 34 THR CB C 34 66.186 66.186 68.294 -2.108 19586 11246 1 17 . 1 1 34 34 THR H H 34 7.935 7.935 7.760 0.175 19586 11247 1 17 . 1 1 35 35 VAL N N 35 120.287 120.287 119.156 1.131 19586 11248 1 17 . 1 1 35 35 VAL H H 35 7.089 7.089 7.136 -0.047 19586 11249 1 17 . 1 1 36 36 MET N N 36 117.816 117.816 118.304 -0.488 19586 11250 1 17 . 1 1 36 36 MET HA H 36 3.911 3.911 4.141 -0.230 19586 11251 1 17 . 1 1 36 36 MET CA C 36 57.101 57.101 58.836 -1.735 19586 11252 1 17 . 1 1 36 36 MET CB C 36 29.929 29.929 32.235 -2.306 19586 11253 1 17 . 1 1 36 36 MET H H 36 8.318 8.318 7.427 0.891 19586 11254 1 17 . 1 1 37 37 ARG N N 37 117.706 117.706 118.622 -0.916 19586 11255 1 17 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.129 0.569 19586 11256 1 17 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.749 -2.577 19586 11257 1 17 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.555 -2.471 19586 11258 1 17 . 1 1 37 37 ARG H H 37 8.233 8.233 8.595 -0.362 19586 11259 1 17 . 1 1 38 38 SER N N 38 118.974 118.974 113.826 5.148 19586 11260 1 17 . 1 1 38 38 SER HA H 38 4.187 4.187 4.417 -0.230 19586 11261 1 17 . 1 1 38 38 SER CA C 38 59.251 59.251 60.503 -1.252 19586 11262 1 17 . 1 1 38 38 SER CB C 38 67.782 67.782 63.326 4.456 19586 11263 1 17 . 1 1 38 38 SER H H 38 7.874 7.874 7.575 0.299 19586 11264 1 17 . 1 1 39 39 LEU N N 39 118.835 118.835 122.172 -3.337 19586 11265 1 17 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.328 -0.189 19586 11266 1 17 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.609 -3.276 19586 11267 1 17 . 1 1 39 39 LEU CB C 39 39.638 39.638 41.775 -2.137 19586 11268 1 17 . 1 1 39 39 LEU H H 39 7.248 7.248 7.685 -0.437 19586 11269 1 17 . 1 1 40 40 GLY N N 40 104.990 104.990 107.118 -2.128 19586 11270 1 17 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.534 -2.656 19586 11271 1 17 . 1 1 40 40 GLY H H 40 7.471 7.471 7.616 -0.145 19586 11272 1 17 . 1 1 41 41 GLN N N 41 118.032 118.032 118.441 -0.409 19586 11273 1 17 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.580 -0.210 19586 11274 1 17 . 1 1 41 41 GLN CA C 41 51.187 51.187 53.995 -2.808 19586 11275 1 17 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.524 -0.906 19586 11276 1 17 . 1 1 41 41 GLN H H 41 7.860 7.860 7.679 0.181 19586 11277 1 17 . 1 1 42 42 ASN N N 42 115.671 115.671 117.437 -1.766 19586 11278 1 17 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.080 0.014 19586 11279 1 17 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.864 -2.170 19586 11280 1 17 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.013 -3.459 19586 11281 1 17 . 1 1 42 42 ASN H H 42 8.561 8.561 8.493 0.068 19586 11282 1 17 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.560 0.151 19586 11283 1 17 . 1 1 44 44 THR N N 44 113.509 113.509 121.017 -7.508 19586 11284 1 17 . 1 1 44 44 THR HA H 44 4.321 4.321 4.379 -0.058 19586 11285 1 17 . 1 1 44 44 THR CA C 44 57.638 57.638 61.458 -3.820 19586 11286 1 17 . 1 1 44 44 THR CB C 44 68.466 68.466 67.449 1.017 19586 11287 1 17 . 1 1 44 44 THR H H 44 8.882 8.882 8.196 0.686 19586 11288 1 17 . 1 1 45 45 GLU N N 45 120.506 120.506 127.345 -6.839 19586 11289 1 17 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.912 -0.032 19586 11290 1 17 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.702 -2.601 19586 11291 1 17 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.637 -3.363 19586 11292 1 17 . 1 1 45 45 GLU H H 45 8.662 8.662 8.030 0.632 19586 11293 1 17 . 1 1 46 46 ALA N N 46 120.586 120.586 119.846 0.740 19586 11294 1 17 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.200 -0.275 19586 11295 1 17 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.144 -1.833 19586 11296 1 17 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.175 -3.095 19586 11297 1 17 . 1 1 46 46 ALA H H 46 8.139 8.139 8.385 -0.246 19586 11298 1 17 . 1 1 47 47 GLU N N 47 118.171 118.171 119.360 -1.189 19586 11299 1 17 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.123 -0.247 19586 11300 1 17 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.990 -2.720 19586 11301 1 17 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.577 -3.291 19586 11302 1 17 . 1 1 47 47 GLU H H 47 7.597 7.597 8.223 -0.626 19586 11303 1 17 . 1 1 48 48 LEU N N 48 120.228 120.228 116.998 3.230 19586 11304 1 17 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.141 -0.214 19586 11305 1 17 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.899 -2.851 19586 11306 1 17 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.140 -0.159 19586 11307 1 17 . 1 1 48 48 LEU H H 48 7.848 7.848 7.462 0.386 19586 11308 1 17 . 1 1 49 49 GLN N N 49 117.910 117.910 119.390 -1.480 19586 11309 1 17 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.105 -0.204 19586 11310 1 17 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.837 -3.105 19586 11311 1 17 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.645 -0.763 19586 11312 1 17 . 1 1 49 49 GLN H H 49 8.037 8.037 8.100 -0.063 19586 11313 1 17 . 1 1 50 50 ASP N N 50 119.284 119.284 119.689 -0.405 19586 11314 1 17 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.486 -0.329 19586 11315 1 17 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.773 -2.067 19586 11316 1 17 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.687 -3.115 19586 11317 1 17 . 1 1 50 50 ASP H H 50 8.010 8.010 7.774 0.236 19586 11318 1 17 . 1 1 51 51 MET N N 51 119.245 119.245 117.348 1.897 19586 11319 1 17 . 1 1 51 51 MET HA H 51 3.923 3.923 4.530 -0.607 19586 11320 1 17 . 1 1 51 51 MET CA C 51 56.563 56.563 56.531 0.032 19586 11321 1 17 . 1 1 51 51 MET CB C 51 29.478 29.478 33.900 -4.422 19586 11322 1 17 . 1 1 51 51 MET H H 51 7.614 7.614 7.574 0.040 19586 11323 1 17 . 1 1 52 52 ILE N N 52 117.584 117.584 121.461 -3.877 19586 11324 1 17 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.701 -0.373 19586 11325 1 17 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.755 -2.865 19586 11326 1 17 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.131 -2.637 19586 11327 1 17 . 1 1 52 52 ILE H H 52 7.514 7.514 8.896 -1.382 19586 11328 1 17 . 1 1 53 53 ASN N N 53 117.126 117.126 117.254 -0.128 19586 11329 1 17 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.496 -0.274 19586 11330 1 17 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.461 -3.368 19586 11331 1 17 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.467 -3.175 19586 11332 1 17 . 1 1 53 53 ASN H H 53 8.418 8.418 7.773 0.645 19586 11333 1 17 . 1 1 54 54 GLU N N 54 116.380 116.380 117.015 -0.635 19586 11334 1 17 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.248 -0.345 19586 11335 1 17 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.090 -1.966 19586 11336 1 17 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.041 -3.640 19586 11337 1 17 . 1 1 54 54 GLU H H 54 7.466 7.466 8.116 -0.650 19586 11338 1 17 . 1 1 55 55 VAL N N 55 108.622 108.622 111.602 -2.980 19586 11339 1 17 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.445 -0.131 19586 11340 1 17 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.133 -3.957 19586 11341 1 17 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.698 -2.536 19586 11342 1 17 . 1 1 55 55 VAL H H 55 7.044 7.044 7.610 -0.566 19586 11343 1 17 . 1 1 56 56 ASP N N 56 121.430 121.430 121.168 0.262 19586 11344 1 17 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.749 -0.359 19586 11345 1 17 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.061 -1.070 19586 11346 1 17 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.546 -1.650 19586 11347 1 17 . 1 1 56 56 ASP H H 56 7.561 7.561 8.431 -0.870 19586 11348 1 17 . 1 1 57 57 ALA N N 57 131.840 131.840 123.939 7.901 19586 11349 1 17 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.132 -0.079 19586 11350 1 17 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.572 -3.092 19586 11351 1 17 . 1 1 57 57 ALA CB C 57 16.793 16.793 18.919 -2.126 19586 11352 1 17 . 1 1 57 57 ALA H H 57 8.357 8.357 7.557 0.800 19586 11353 1 17 . 1 1 58 58 ASP N N 58 113.565 113.565 116.909 -3.344 19586 11354 1 17 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.696 -0.206 19586 11355 1 17 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.329 -3.413 19586 11356 1 17 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.301 -4.527 19586 11357 1 17 . 1 1 58 58 ASP H H 58 7.985 7.985 8.269 -0.284 19586 11358 1 17 . 1 1 59 59 GLY N N 59 108.187 108.187 109.570 -1.383 19586 11359 1 17 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.246 -1.755 19586 11360 1 17 . 1 1 59 59 GLY H H 59 7.424 7.424 7.830 -0.406 19586 11361 1 17 . 1 1 60 60 ASN N N 60 118.065 118.065 121.663 -3.598 19586 11362 1 17 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.740 -0.294 19586 11363 1 17 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.199 -3.430 19586 11364 1 17 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.833 -2.279 19586 11365 1 17 . 1 1 60 60 ASN H H 60 7.919 7.919 8.483 -0.564 19586 11366 1 17 . 1 1 61 61 GLY N N 61 113.247 113.247 107.448 5.799 19586 11367 1 17 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.446 -3.568 19586 11368 1 17 . 1 1 61 61 GLY H H 61 10.485 10.485 8.726 1.759 19586 11369 1 17 . 1 1 62 62 THR N N 62 108.699 108.699 112.760 -4.061 19586 11370 1 17 . 1 1 62 62 THR HA H 62 4.580 4.580 4.426 0.154 19586 11371 1 17 . 1 1 62 62 THR CA C 62 56.661 56.661 60.801 -4.140 19586 11372 1 17 . 1 1 62 62 THR H H 62 7.511 7.511 7.167 0.344 19586 11373 1 17 . 1 1 63 63 ILE N N 63 122.834 122.834 120.301 2.533 19586 11374 1 17 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.357 0.697 19586 11375 1 17 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.489 -2.388 19586 11376 1 17 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.579 -4.235 19586 11377 1 17 . 1 1 63 63 ILE H H 63 8.741 8.741 8.090 0.651 19586 11378 1 17 . 1 1 64 64 ASP N N 64 127.818 127.818 126.326 1.492 19586 11379 1 17 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.424 -0.186 19586 11380 1 17 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.338 -2.960 19586 11381 1 17 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.721 -6.939 19586 11382 1 17 . 1 1 64 64 ASP H H 64 8.702 8.702 8.706 -0.004 19586 11383 1 17 . 1 1 65 65 PHE N N 65 118.653 118.653 120.193 -1.540 19586 11384 1 17 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.624 -0.763 19586 11385 1 17 . 1 1 65 65 PHE CA C 65 60.717 60.717 62.983 -2.266 19586 11386 1 17 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.927 -4.801 19586 11387 1 17 . 1 1 65 65 PHE H H 65 8.847 8.847 8.875 -0.028 19586 11388 1 17 . 1 1 67 67 GLU N N 67 117.631 117.631 115.776 1.855 19586 11389 1 17 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.328 -0.425 19586 11390 1 17 . 1 1 67 67 GLU CA C 67 56.337 56.337 56.342 -0.005 19586 11391 1 17 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.394 -2.349 19586 11392 1 17 . 1 1 67 67 GLU H H 67 7.940 7.940 8.794 -0.854 19586 11393 1 17 . 1 1 68 68 PHE N N 68 123.289 123.289 122.268 1.021 19586 11394 1 17 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.178 -0.338 19586 11395 1 17 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.416 -2.689 19586 11396 1 17 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.254 -1.681 19586 11397 1 17 . 1 1 68 68 PHE H H 68 8.757 8.757 7.617 1.140 19586 11398 1 17 . 1 1 69 69 LEU N N 69 118.867 118.867 117.048 1.819 19586 11399 1 17 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.014 -0.769 19586 11400 1 17 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.818 -1.660 19586 11401 1 17 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.419 -3.163 19586 11402 1 17 . 1 1 69 69 LEU H H 69 8.403 8.403 8.204 0.199 19586 11403 1 17 . 1 1 70 70 THR N N 70 116.302 116.302 110.197 6.105 19586 11404 1 17 . 1 1 70 70 THR HA H 70 3.624 3.624 3.992 -0.368 19586 11405 1 17 . 1 1 70 70 THR CA C 70 63.843 63.843 64.968 -1.125 19586 11406 1 17 . 1 1 70 70 THR CB C 70 65.502 65.502 68.774 -3.272 19586 11407 1 17 . 1 1 70 70 THR H H 70 7.540 7.540 7.786 -0.246 19586 11408 1 17 . 1 1 71 71 MET N N 71 121.710 121.710 120.612 1.098 19586 11409 1 17 . 1 1 71 71 MET HA H 71 3.903 3.903 4.213 -0.310 19586 11410 1 17 . 1 1 71 71 MET CA C 71 56.303 56.303 57.517 -1.214 19586 11411 1 17 . 1 1 71 71 MET CB C 71 29.706 29.706 31.860 -2.154 19586 11412 1 17 . 1 1 71 71 MET H H 71 7.723 7.723 7.575 0.148 19586 11413 1 17 . 1 1 72 72 MET N N 72 116.535 116.535 116.939 -0.404 19586 11414 1 17 . 1 1 72 72 MET HA H 72 3.773 3.773 4.316 -0.543 19586 11415 1 17 . 1 1 72 72 MET CA C 72 53.307 53.307 56.712 -3.405 19586 11416 1 17 . 1 1 72 72 MET CB C 72 28.787 28.787 32.201 -3.414 19586 11417 1 17 . 1 1 72 72 MET H H 72 7.982 7.982 7.744 0.238 19586 11418 1 17 . 1 1 73 73 ALA N N 73 121.584 121.584 122.631 -1.047 19586 11419 1 17 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.018 -0.138 19586 11420 1 17 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.604 -2.509 19586 11421 1 17 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.097 -2.755 19586 11422 1 17 . 1 1 73 73 ALA H H 73 8.074 8.074 7.413 0.661 19586 11423 1 17 . 1 1 74 74 ARG N N 74 115.784 115.784 117.443 -1.659 19586 11424 1 17 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.099 -0.196 19586 11425 1 17 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.483 -2.752 19586 11426 1 17 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.251 -2.264 19586 11427 1 17 . 1 1 74 74 ARG H H 74 7.358 7.358 7.657 -0.299 19586 11428 1 17 . 1 1 75 75 LYS N N 75 117.245 117.245 117.255 -0.010 19586 11429 1 17 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.255 -0.306 19586 11430 1 17 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.640 -3.693 19586 11431 1 17 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.553 -6.153 19586 11432 1 17 . 1 1 75 75 LYS H H 75 7.640 7.640 7.923 -0.283 19586 11433 1 17 . 1 1 76 76 MET N N 76 117.971 117.971 120.160 -2.189 19586 11434 1 17 . 1 1 76 76 MET HA H 76 4.242 4.242 4.423 -0.181 19586 11435 1 17 . 1 1 76 76 MET CA C 76 53.947 53.947 55.031 -1.084 19586 11436 1 17 . 1 1 76 76 MET CB C 76 29.478 29.478 31.377 -1.899 19586 11437 1 17 . 1 1 76 76 MET H H 76 7.794 7.794 7.654 0.140 19586 11438 1 17 . 1 1 77 77 LYS N N 77 119.902 119.902 122.923 -3.021 19586 11439 1 17 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.371 -0.219 19586 11440 1 17 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.671 -1.388 19586 11441 1 17 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.306 -0.828 19586 11442 1 17 . 1 1 77 77 LYS H H 77 7.622 7.622 7.596 0.026 19586 11443 1 17 . 1 1 78 78 ASP N N 78 119.146 119.146 119.713 -0.567 19586 11444 1 17 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.358 -0.115 19586 11445 1 17 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.991 -2.930 19586 11446 1 17 . 1 1 78 78 ASP H H 78 7.991 7.991 8.112 -0.121 19586 11447 1 17 . 1 1 79 79 THR N N 79 112.750 112.750 111.123 1.627 19586 11448 1 17 . 1 1 79 79 THR HA H 79 4.170 4.170 4.333 -0.163 19586 11449 1 17 . 1 1 79 79 THR CA C 79 59.030 59.030 61.799 -2.769 19586 11450 1 17 . 1 1 79 79 THR CB C 79 67.668 67.668 70.040 -2.372 19586 11451 1 17 . 1 1 79 79 THR H H 79 7.587 7.587 7.801 -0.214 19586 11452 1 17 . 1 1 80 80 ASP N N 80 122.888 122.888 121.934 0.954 19586 11453 1 17 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.760 -0.389 19586 11454 1 17 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.489 -3.639 19586 11455 1 17 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.289 -4.936 19586 11456 1 17 . 1 1 80 80 ASP H H 80 8.354 8.354 8.645 -0.291 19586 11457 1 17 . 1 1 81 81 SER N N 81 117.571 117.571 115.307 2.264 19586 11458 1 17 . 1 1 81 81 SER HA H 81 4.115 4.115 4.315 -0.200 19586 11459 1 17 . 1 1 81 81 SER CA C 81 57.717 57.717 60.817 -3.100 19586 11460 1 17 . 1 1 81 81 SER CB C 81 60.884 60.884 63.795 -2.911 19586 11461 1 17 . 1 1 81 81 SER H H 81 8.232 8.232 8.562 -0.330 19586 11462 1 17 . 1 1 82 82 GLU N N 82 121.860 121.860 121.907 -0.047 19586 11463 1 17 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.048 -0.165 19586 11464 1 17 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.672 -2.965 19586 11465 1 17 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.179 0.413 19586 11466 1 17 . 1 1 82 82 GLU H H 82 8.364 8.364 8.747 -0.383 19586 11467 1 17 . 1 1 83 83 GLU N N 83 119.398 119.398 117.580 1.818 19586 11468 1 17 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.101 -0.218 19586 11469 1 17 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.446 -2.840 19586 11470 1 17 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.303 0.061 19586 11471 1 17 . 1 1 83 83 GLU H H 83 8.032 8.032 8.905 -0.873 19586 11472 1 17 . 1 1 84 84 GLU N N 84 118.279 118.279 119.027 -0.748 19586 11473 1 17 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.220 -0.349 19586 11474 1 17 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.415 -1.809 19586 11475 1 17 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.619 -3.802 19586 11476 1 17 . 1 1 84 84 GLU H H 84 8.153 8.153 7.736 0.417 19586 11477 1 17 . 1 1 85 85 ILE N N 85 120.970 120.970 120.289 0.681 19586 11478 1 17 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.960 -0.348 19586 11479 1 17 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.807 -1.368 19586 11480 1 17 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.517 -3.909 19586 11481 1 17 . 1 1 85 85 ILE H H 85 7.927 7.927 8.062 -0.135 19586 11482 1 17 . 1 1 86 86 ARG N N 86 121.766 121.766 118.908 2.858 19586 11483 1 17 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.182 -0.174 19586 11484 1 17 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.468 -1.952 19586 11485 1 17 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.820 -2.965 19586 11486 1 17 . 1 1 86 86 ARG H H 86 8.233 8.233 8.539 -0.306 19586 11487 1 17 . 1 1 87 87 GLU N N 87 118.369 118.369 120.163 -1.794 19586 11488 1 17 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.245 -0.343 19586 11489 1 17 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.949 -1.343 19586 11490 1 17 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.225 -3.408 19586 11491 1 17 . 1 1 87 87 GLU H H 87 8.156 8.156 8.101 0.055 19586 11492 1 17 . 1 1 88 88 ALA N N 88 120.337 120.337 120.271 0.066 19586 11493 1 17 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.599 -0.650 19586 11494 1 17 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.553 -0.290 19586 11495 1 17 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.041 -4.961 19586 11496 1 17 . 1 1 88 88 ALA H H 88 7.877 7.877 7.578 0.299 19586 11497 1 17 . 1 1 89 89 PHE N N 89 118.191 118.191 121.477 -3.286 19586 11498 1 17 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.449 -1.334 19586 11499 1 17 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.517 -1.814 19586 11500 1 17 . 1 1 89 89 PHE CB C 89 36.774 36.774 40.204 -3.430 19586 11501 1 17 . 1 1 89 89 PHE H H 89 8.459 8.459 8.104 0.355 19586 11502 1 17 . 1 1 90 90 ARG N N 90 115.953 115.953 119.238 -3.285 19586 11503 1 17 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.391 -0.486 19586 11504 1 17 . 1 1 90 90 ARG CA C 90 56.168 56.168 59.098 -2.930 19586 11505 1 17 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.802 -2.148 19586 11506 1 17 . 1 1 90 90 ARG H H 90 7.764 7.764 7.900 -0.136 19586 11507 1 17 . 1 1 91 91 VAL N N 91 118.202 118.202 117.981 0.221 19586 11508 1 17 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.785 -0.500 19586 11509 1 17 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.966 -1.609 19586 11510 1 17 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.848 -3.404 19586 11511 1 17 . 1 1 91 91 VAL H H 91 7.229 7.229 7.424 -0.195 19586 11512 1 17 . 1 1 92 92 PHE N N 92 112.447 112.447 118.157 -5.710 19586 11513 1 17 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.270 -0.325 19586 11514 1 17 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.689 -0.660 19586 11515 1 17 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.301 -1.463 19586 11516 1 17 . 1 1 92 92 PHE H H 92 6.699 6.699 7.244 -0.545 19586 11517 1 17 . 1 1 93 93 ASP N N 93 116.461 116.461 117.892 -1.431 19586 11518 1 17 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.528 -0.052 19586 11519 1 17 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.505 -3.980 19586 11520 1 17 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.716 -5.533 19586 11521 1 17 . 1 1 93 93 ASP H H 93 7.881 7.881 8.215 -0.334 19586 11522 1 17 . 1 1 94 94 LYS N N 94 125.494 125.494 123.327 2.167 19586 11523 1 17 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.042 -0.374 19586 11524 1 17 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.702 -2.725 19586 11525 1 17 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.387 -0.973 19586 11526 1 17 . 1 1 94 94 LYS H H 94 7.596 7.596 8.644 -1.048 19586 11527 1 17 . 1 1 95 95 ASP N N 95 114.015 114.015 117.847 -3.832 19586 11528 1 17 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.682 -0.267 19586 11529 1 17 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.957 -4.650 19586 11530 1 17 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.584 -5.811 19586 11531 1 17 . 1 1 95 95 ASP H H 95 8.097 8.097 7.688 0.409 19586 11532 1 17 . 1 1 96 96 GLY N N 96 109.147 109.147 107.559 1.588 19586 11533 1 17 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.223 -0.879 19586 11534 1 17 . 1 1 96 96 GLY H H 96 7.677 7.677 8.413 -0.736 19586 11535 1 17 . 1 1 97 97 ASN N N 97 119.575 119.575 119.028 0.547 19586 11536 1 17 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.925 -0.425 19586 11537 1 17 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.583 -2.667 19586 11538 1 17 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.016 -3.833 19586 11539 1 17 . 1 1 97 97 ASN H H 97 8.252 8.252 8.244 0.008 19586 11540 1 17 . 1 1 98 98 GLY N N 98 112.465 112.465 105.925 6.540 19586 11541 1 17 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.833 -3.541 19586 11542 1 17 . 1 1 98 98 GLY H H 98 10.462 10.462 8.402 2.060 19586 11543 1 17 . 1 1 99 99 TYR N N 99 116.256 116.256 117.981 -1.725 19586 11544 1 17 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.833 0.049 19586 11545 1 17 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.818 -3.236 19586 11546 1 17 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.884 -1.903 19586 11547 1 17 . 1 1 99 99 TYR H H 99 7.557 7.557 7.623 -0.066 19586 11548 1 17 . 1 1 100 100 ILE N N 100 126.957 126.957 121.626 5.331 19586 11549 1 17 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.181 0.276 19586 11550 1 17 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.938 -2.322 19586 11551 1 17 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.636 -3.204 19586 11552 1 17 . 1 1 100 100 ILE H H 100 9.972 9.972 9.086 0.886 19586 11553 1 17 . 1 1 101 101 SER N N 101 123.739 123.739 122.617 1.122 19586 11554 1 17 . 1 1 101 101 SER HA H 101 4.711 4.711 4.391 0.320 19586 11555 1 17 . 1 1 101 101 SER CA C 101 52.897 52.897 58.739 -5.841 19586 11556 1 17 . 1 1 101 101 SER CB C 101 64.134 64.134 64.016 0.118 19586 11557 1 17 . 1 1 101 101 SER H H 101 8.844 8.844 8.679 0.165 19586 11558 1 17 . 1 1 102 102 ALA N N 102 123.028 123.028 127.731 -4.703 19586 11559 1 17 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.154 -0.443 19586 11560 1 17 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.015 -1.922 19586 11561 1 17 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.975 -3.861 19586 11562 1 17 . 1 1 102 102 ALA H H 102 9.178 9.178 8.712 0.466 19586 11563 1 17 . 1 1 103 103 ALA N N 103 118.443 118.443 118.536 -0.093 19586 11564 1 17 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.473 -0.612 19586 11565 1 17 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.575 -0.166 19586 11566 1 17 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.703 -2.247 19586 11567 1 17 . 1 1 103 103 ALA H H 103 8.132 8.132 8.337 -0.205 19586 11568 1 17 . 1 1 104 104 GLU N N 104 120.139 120.139 120.714 -0.575 19586 11569 1 17 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.161 -0.322 19586 11570 1 17 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.493 -2.930 19586 11571 1 17 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.643 -3.243 19586 11572 1 17 . 1 1 104 104 GLU H H 104 7.786 7.786 7.649 0.137 19586 11573 1 17 . 1 1 105 105 LEU N N 105 121.545 121.545 119.399 2.146 19586 11574 1 17 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.980 -0.078 19586 11575 1 17 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.063 -2.331 19586 11576 1 17 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.767 -1.558 19586 11577 1 17 . 1 1 105 105 LEU H H 105 8.240 8.240 8.100 0.140 19586 11578 1 17 . 1 1 106 106 ARG N N 106 118.625 118.625 115.847 2.778 19586 11579 1 17 . 1 1 106 106 ARG HA H 106 3.839 3.839 4.002 -0.163 19586 11580 1 17 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.972 -1.627 19586 11581 1 17 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.751 0.639 19586 11582 1 17 . 1 1 106 106 ARG H H 106 8.761 8.761 8.302 0.459 19586 11583 1 17 . 1 1 107 107 HIS N N 107 119.052 119.052 117.679 1.373 19586 11584 1 17 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.402 -0.500 19586 11585 1 17 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.345 -2.538 19586 11586 1 17 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.650 -3.452 19586 11587 1 17 . 1 1 107 107 HIS H H 107 7.946 7.946 7.529 0.417 19586 11588 1 17 . 1 1 108 108 VAL N N 108 119.160 119.160 119.762 -0.602 19586 11589 1 17 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.726 -0.284 19586 11590 1 17 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.088 -1.803 19586 11591 1 17 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.681 -2.773 19586 11592 1 17 . 1 1 108 108 VAL H H 108 7.736 7.736 8.999 -1.263 19586 11593 1 17 . 1 1 109 109 MET N N 109 115.333 115.333 118.451 -3.118 19586 11594 1 17 . 1 1 109 109 MET HA H 109 4.139 4.139 4.043 0.096 19586 11595 1 17 . 1 1 109 109 MET CA C 109 54.686 54.686 57.644 -2.958 19586 11596 1 17 . 1 1 109 109 MET CB C 109 29.706 29.706 31.680 -1.974 19586 11597 1 17 . 1 1 109 109 MET H H 109 8.074 8.074 8.152 -0.078 19586 11598 1 17 . 1 1 110 110 THR N N 110 116.714 116.714 114.857 1.857 19586 11599 1 17 . 1 1 110 110 THR HA H 110 3.935 3.935 4.074 -0.139 19586 11600 1 17 . 1 1 110 110 THR CA C 110 63.845 63.845 65.765 -1.920 19586 11601 1 17 . 1 1 110 110 THR CB C 110 66.072 66.072 68.325 -2.252 19586 11602 1 17 . 1 1 110 110 THR H H 110 8.515 8.515 7.624 0.891 19586 11603 1 17 . 1 1 111 111 ASN N N 111 123.784 123.784 119.146 4.638 19586 11604 1 17 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.554 -0.312 19586 11605 1 17 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.186 -2.093 19586 11606 1 17 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.403 -3.111 19586 11607 1 17 . 1 1 111 111 ASN H H 111 7.890 7.890 7.514 0.376 19586 11608 1 17 . 1 1 112 112 LEU N N 112 118.227 118.227 118.135 0.092 19586 11609 1 17 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.337 -0.222 19586 11610 1 17 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.021 -1.368 19586 11611 1 17 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.170 -1.432 19586 11612 1 17 . 1 1 112 112 LEU H H 112 7.621 7.621 7.395 0.226 19586 11613 1 17 . 1 1 113 113 GLY N N 113 106.787 106.787 105.748 1.039 19586 11614 1 17 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.989 -2.453 19586 11615 1 17 . 1 1 113 113 GLY H H 113 7.701 7.701 7.477 0.224 19586 11616 1 17 . 1 1 114 114 GLU N N 114 120.288 120.288 119.164 1.124 19586 11617 1 17 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.522 -0.280 19586 11618 1 17 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.809 -1.742 19586 11619 1 17 . 1 1 114 114 GLU CB C 114 26.616 26.616 29.762 -3.147 19586 11620 1 17 . 1 1 114 114 GLU H H 114 7.864 7.864 7.826 0.038 19586 11621 1 17 . 1 1 115 115 LYS N N 115 124.987 124.987 125.801 -0.814 19586 11622 1 17 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.284 -0.061 19586 11623 1 17 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.454 -3.606 19586 11624 1 17 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.286 -0.329 19586 11625 1 17 . 1 1 115 115 LYS H H 115 8.491 8.491 8.409 0.082 19586 11626 1 17 . 1 1 116 116 LEU N N 116 124.912 124.912 122.642 2.270 19586 11627 1 17 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.731 -0.019 19586 11628 1 17 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.950 -1.861 19586 11629 1 17 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.247 -1.659 19586 11630 1 17 . 1 1 116 116 LEU H H 116 7.978 7.978 7.773 0.205 19586 11631 1 17 . 1 1 117 117 THR N N 117 114.220 114.220 114.162 0.058 19586 11632 1 17 . 1 1 117 117 THR HA H 117 4.302 4.302 4.371 -0.069 19586 11633 1 17 . 1 1 117 117 THR CA C 117 57.834 57.834 61.342 -3.508 19586 11634 1 17 . 1 1 117 117 THR CB C 117 68.580 68.580 70.440 -1.860 19586 11635 1 17 . 1 1 117 117 THR H H 117 9.093 9.093 7.929 1.164 19586 11636 1 17 . 1 1 118 118 ASP N N 118 120.925 120.925 121.097 -0.172 19586 11637 1 17 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.238 -0.180 19586 11638 1 17 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.299 -3.056 19586 11639 1 17 . 1 1 118 118 ASP CB C 118 37.002 37.002 41.030 -4.028 19586 11640 1 17 . 1 1 118 118 ASP H H 118 8.764 8.764 8.745 0.019 19586 11641 1 17 . 1 1 119 119 GLU N N 119 119.395 119.395 117.947 1.448 19586 11642 1 17 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.958 -0.031 19586 11643 1 17 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.219 -2.070 19586 11644 1 17 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.923 -2.992 19586 11645 1 17 . 1 1 119 119 GLU H H 119 8.509 8.509 8.720 -0.211 19586 11646 1 17 . 1 1 120 120 GLU N N 120 119.909 119.909 118.535 1.374 19586 11647 1 17 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.181 -0.285 19586 11648 1 17 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.505 -2.186 19586 11649 1 17 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.642 -3.812 19586 11650 1 17 . 1 1 120 120 GLU H H 120 7.585 7.585 7.770 -0.185 19586 11651 1 17 . 1 1 121 121 VAL N N 121 122.092 122.092 116.751 5.341 19586 11652 1 17 . 1 1 121 121 VAL HA H 121 3.442 3.442 4.021 -0.579 19586 11653 1 17 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.860 -0.770 19586 11654 1 17 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.125 -2.445 19586 11655 1 17 . 1 1 121 121 VAL H H 121 7.849 7.849 7.264 0.585 19586 11656 1 17 . 1 1 122 122 ASP N N 122 120.167 120.167 121.316 -1.149 19586 11657 1 17 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.325 -0.168 19586 11658 1 17 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.407 -3.506 19586 11659 1 17 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.960 -3.388 19586 11660 1 17 . 1 1 122 122 ASP H H 122 7.912 7.912 8.810 -0.898 19586 11661 1 17 . 1 1 123 123 GLU N N 123 119.087 119.087 118.814 0.273 19586 11662 1 17 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.125 -0.229 19586 11663 1 17 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.898 -2.286 19586 11664 1 17 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.651 -3.479 19586 11665 1 17 . 1 1 123 123 GLU H H 123 7.839 7.839 7.655 0.184 19586 11666 1 17 . 1 1 124 124 MET N N 124 118.897 118.897 118.215 0.682 19586 11667 1 17 . 1 1 124 124 MET HA H 124 3.867 3.867 4.241 -0.374 19586 11668 1 17 . 1 1 124 124 MET CA C 124 56.905 56.905 59.253 -2.348 19586 11669 1 17 . 1 1 124 124 MET CB C 124 29.250 29.250 33.217 -3.967 19586 11670 1 17 . 1 1 124 124 MET H H 124 7.433 7.433 7.415 0.018 19586 11671 1 17 . 1 1 125 125 ILE N N 125 118.001 118.001 115.144 2.857 19586 11672 1 17 . 1 1 125 125 ILE HA H 125 3.380 3.380 3.953 -0.573 19586 11673 1 17 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.834 -3.703 19586 11674 1 17 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.675 -4.435 19586 11675 1 17 . 1 1 125 125 ILE H H 125 7.658 7.658 8.511 -0.853 19586 11676 1 17 . 1 1 126 126 ARG N N 126 117.720 117.720 120.307 -2.587 19586 11677 1 17 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.014 -0.131 19586 11678 1 17 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.462 -2.789 19586 11679 1 17 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.318 -0.840 19586 11680 1 17 . 1 1 126 126 ARG H H 126 7.974 7.974 8.147 -0.173 19586 11681 1 17 . 1 1 127 127 GLU N N 127 117.050 117.050 117.110 -0.060 19586 11682 1 17 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.218 -0.251 19586 11683 1 17 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.309 -1.990 19586 11684 1 17 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.761 -3.475 19586 11685 1 17 . 1 1 127 127 GLU H H 127 7.635 7.635 7.665 -0.030 19586 11686 1 17 . 1 1 128 128 ALA N N 128 116.966 116.966 120.210 -3.244 19586 11687 1 17 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.321 0.179 19586 11688 1 17 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.406 -4.201 19586 11689 1 17 . 1 1 128 128 ALA CB C 128 20.105 20.105 19.796 0.309 19586 11690 1 17 . 1 1 128 128 ALA H H 128 7.155 7.155 7.246 -0.091 19586 11691 1 17 . 1 1 129 129 ASP N N 129 118.033 118.033 119.210 -1.177 19586 11692 1 17 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.876 -0.525 19586 11693 1 17 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.295 -1.473 19586 11694 1 17 . 1 1 129 129 ASP CB C 129 37.686 37.686 42.086 -4.400 19586 11695 1 17 . 1 1 129 129 ASP H H 129 7.806 7.806 7.617 0.189 19586 11696 1 17 . 1 1 130 130 ILE N N 130 127.927 127.927 122.253 5.674 19586 11697 1 17 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.126 -0.329 19586 11698 1 17 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.731 -2.209 19586 11699 1 17 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.108 -2.018 19586 11700 1 17 . 1 1 130 130 ILE H H 130 8.115 8.115 8.244 -0.129 19586 11701 1 17 . 1 1 131 131 ASP N N 131 116.634 116.634 119.777 -3.143 19586 11702 1 17 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.692 -0.349 19586 11703 1 17 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.536 -2.349 19586 11704 1 17 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.292 -3.824 19586 11705 1 17 . 1 1 131 131 ASP H H 131 8.202 8.202 7.843 0.359 19586 11706 1 17 . 1 1 132 132 GLY N N 132 108.586 108.586 108.607 -0.021 19586 11707 1 17 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.891 -1.253 19586 11708 1 17 . 1 1 132 132 GLY H H 132 7.535 7.535 7.664 -0.129 19586 11709 1 17 . 1 1 133 133 ASP N N 133 120.377 120.377 120.158 0.219 19586 11710 1 17 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.571 -0.220 19586 11711 1 17 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.379 -3.437 19586 11712 1 17 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.240 -3.782 19586 11713 1 17 . 1 1 133 133 ASP H H 133 8.215 8.215 8.768 -0.553 19586 11714 1 17 . 1 1 134 134 GLY N N 134 112.226 112.226 107.431 4.795 19586 11715 1 17 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.326 -2.204 19586 11716 1 17 . 1 1 134 134 GLY H H 134 9.971 9.971 8.553 1.418 19586 11717 1 17 . 1 1 135 135 GLN N N 135 115.229 115.229 117.084 -1.855 19586 11718 1 17 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.822 -0.691 19586 11719 1 17 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.661 -4.207 19586 11720 1 17 . 1 1 135 135 GLN CB C 135 30.614 30.614 33.995 -3.381 19586 11721 1 17 . 1 1 135 135 GLN H H 135 7.835 7.835 7.523 0.312 19586 11722 1 17 . 1 1 136 136 VAL N N 136 125.238 125.238 121.697 3.541 19586 11723 1 17 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.361 0.735 19586 11724 1 17 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.198 -1.485 19586 11725 1 17 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.698 -1.282 19586 11726 1 17 . 1 1 136 136 VAL H H 136 8.958 8.958 9.044 -0.086 19586 11727 1 17 . 1 1 137 137 ASN N N 137 129.058 129.058 126.275 2.783 19586 11728 1 17 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.738 0.488 19586 11729 1 17 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.718 -3.366 19586 11730 1 17 . 1 1 137 137 ASN CB C 137 35.640 35.640 38.810 -3.170 19586 11731 1 17 . 1 1 137 137 ASN H H 137 9.435 9.435 8.623 0.812 19586 11732 1 17 . 1 1 138 138 TYR N N 138 118.627 118.627 118.493 0.134 19586 11733 1 17 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.488 -1.296 19586 11734 1 17 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.149 -1.480 19586 11735 1 17 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.799 -0.227 19586 11736 1 17 . 1 1 138 138 TYR H H 138 8.146 8.146 7.780 0.366 19586 11737 1 17 . 1 1 139 139 GLU N N 139 118.701 118.701 118.632 0.069 19586 11738 1 17 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.969 -0.458 19586 11739 1 17 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.086 -1.546 19586 11740 1 17 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.802 -2.528 19586 11741 1 17 . 1 1 139 139 GLU H H 139 7.974 7.974 7.908 0.066 19586 11742 1 17 . 1 1 140 140 GLU N N 140 119.774 119.774 119.204 0.570 19586 11743 1 17 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.111 -0.200 19586 11744 1 17 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.626 -2.601 19586 11745 1 17 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.668 -3.394 19586 11746 1 17 . 1 1 140 140 GLU H H 140 8.676 8.676 7.590 1.086 19586 11747 1 17 . 1 1 141 141 PHE N N 141 124.074 124.074 120.147 3.927 19586 11748 1 17 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.083 -0.436 19586 11749 1 17 . 1 1 141 141 PHE CA C 141 59.447 59.447 61.051 -1.604 19586 11750 1 17 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.796 -1.110 19586 11751 1 17 . 1 1 141 141 PHE H H 141 8.507 8.507 7.534 0.973 19586 11752 1 17 . 1 1 142 142 VAL N N 142 119.203 119.203 114.540 4.663 19586 11753 1 17 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.189 -0.231 19586 11754 1 17 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.466 -1.034 19586 11755 1 17 . 1 1 142 142 VAL CB C 142 28.908 28.908 31.028 -2.120 19586 11756 1 17 . 1 1 142 142 VAL H H 142 8.639 8.639 7.211 1.428 19586 11757 1 17 . 1 1 143 143 GLN N N 143 120.173 120.173 120.460 -0.287 19586 11758 1 17 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.957 -0.286 19586 11759 1 17 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.732 -2.218 19586 11760 1 17 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.645 -3.400 19586 11761 1 17 . 1 1 143 143 GLN H H 143 7.818 7.818 7.489 0.329 19586 11762 1 17 . 1 1 144 144 MET N N 144 118.573 118.573 115.645 2.928 19586 11763 1 17 . 1 1 144 144 MET HA H 144 3.882 3.882 4.406 -0.524 19586 11764 1 17 . 1 1 144 144 MET CA C 144 55.683 55.683 57.177 -1.494 19586 11765 1 17 . 1 1 144 144 MET CB C 144 28.110 28.110 32.842 -4.732 19586 11766 1 17 . 1 1 144 144 MET H H 144 7.403 7.403 8.113 -0.710 19586 11767 1 17 . 1 1 145 145 MET N N 145 114.053 114.053 117.593 -3.540 19586 11768 1 17 . 1 1 145 145 MET HA H 145 3.940 3.940 4.335 -0.395 19586 11769 1 17 . 1 1 145 145 MET CA C 145 53.630 53.630 58.584 -4.954 19586 11770 1 17 . 1 1 145 145 MET CB C 145 29.592 29.592 32.660 -3.068 19586 11771 1 17 . 1 1 145 145 MET H H 145 7.534 7.534 7.101 0.433 19586 11772 1 17 . 1 1 146 146 THR N N 146 109.275 109.275 115.764 -6.489 19586 11773 1 17 . 1 1 146 146 THR HA H 146 4.175 4.175 4.162 0.013 19586 11774 1 17 . 1 1 146 146 THR CA C 146 59.251 59.251 64.365 -5.114 19586 11775 1 17 . 1 1 146 146 THR CB C 146 67.896 67.896 69.135 -1.238 19586 11776 1 17 . 1 1 146 146 THR H H 146 7.554 7.554 8.025 -0.471 19586 11777 1 17 . 1 1 147 147 ALA N N 147 126.913 126.913 122.793 4.120 19586 11778 1 17 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.562 -0.445 19586 11779 1 17 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.070 -0.763 19586 11780 1 17 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.803 -3.467 19586 11781 1 17 . 1 1 147 147 ALA H H 147 7.406 7.406 7.380 0.026 19586 11782 1 18 . 1 1 2 2 ASP N N 2 120.378 120.378 121.509 -1.131 19586 11783 1 18 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.832 -0.247 19586 11784 1 18 . 1 1 2 2 ASP CA C 2 51.960 51.960 53.635 -1.675 19586 11785 1 18 . 1 1 2 2 ASP H H 2 8.506 8.506 8.365 0.141 19586 11786 1 18 . 1 1 3 3 GLN N N 3 119.707 119.707 119.527 0.180 19586 11787 1 18 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.651 -0.439 19586 11788 1 18 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.320 -2.585 19586 11789 1 18 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.825 -0.751 19586 11790 1 18 . 1 1 3 3 GLN H H 3 8.208 8.208 8.514 -0.306 19586 11791 1 18 . 1 1 4 4 LEU N N 4 123.069 123.069 122.119 0.950 19586 11792 1 18 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.936 -0.796 19586 11793 1 18 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.093 -3.435 19586 11794 1 18 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.546 -2.922 19586 11795 1 18 . 1 1 4 4 LEU H H 4 8.181 8.181 8.593 -0.412 19586 11796 1 18 . 1 1 5 5 THR N N 5 112.909 112.909 113.798 -0.889 19586 11797 1 18 . 1 1 5 5 THR HA H 5 4.322 4.322 4.266 0.056 19586 11798 1 18 . 1 1 5 5 THR CA C 5 57.687 57.687 64.887 -7.200 19586 11799 1 18 . 1 1 5 5 THR CB C 5 68.580 68.580 68.894 -0.314 19586 11800 1 18 . 1 1 5 5 THR H H 5 8.607 8.607 7.911 0.696 19586 11801 1 18 . 1 1 6 6 GLU N N 6 120.224 120.224 121.234 -1.010 19586 11802 1 18 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.160 -0.335 19586 11803 1 18 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.431 -2.184 19586 11804 1 18 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.360 -0.224 19586 11805 1 18 . 1 1 6 6 GLU H H 6 8.877 8.877 8.577 0.300 19586 11806 1 18 . 1 1 7 7 GLU N N 7 119.350 119.350 117.641 1.709 19586 11807 1 18 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.140 -0.223 19586 11808 1 18 . 1 1 7 7 GLU CA C 7 57.198 57.198 59.451 -2.253 19586 11809 1 18 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.238 -2.964 19586 11810 1 18 . 1 1 7 7 GLU H H 7 8.524 8.524 8.785 -0.261 19586 11811 1 18 . 1 1 8 8 GLN N N 8 119.917 119.917 116.066 3.851 19586 11812 1 18 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.324 -0.421 19586 11813 1 18 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.780 -1.804 19586 11814 1 18 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.091 -2.691 19586 11815 1 18 . 1 1 8 8 GLN H H 8 7.603 7.603 8.136 -0.533 19586 11816 1 18 . 1 1 9 9 ILE N N 9 119.503 119.503 116.578 2.925 19586 11817 1 18 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.182 -0.543 19586 11818 1 18 . 1 1 9 9 ILE CA C 9 63.796 63.796 62.253 1.543 19586 11819 1 18 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.977 -3.799 19586 11820 1 18 . 1 1 9 9 ILE H H 9 8.260 8.260 7.570 0.690 19586 11821 1 18 . 1 1 10 10 ALA N N 10 121.044 121.044 122.856 -1.812 19586 11822 1 18 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.236 -0.275 19586 11823 1 18 . 1 1 10 10 ALA CA C 10 52.702 52.702 55.062 -2.360 19586 11824 1 18 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.417 -3.303 19586 11825 1 18 . 1 1 10 10 ALA H H 10 7.840 7.840 7.744 0.096 19586 11826 1 18 . 1 1 11 11 GLU N N 11 119.113 119.113 118.694 0.419 19586 11827 1 18 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.432 -0.524 19586 11828 1 18 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.981 -1.418 19586 11829 1 18 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.623 -3.223 19586 11830 1 18 . 1 1 11 11 GLU H H 11 7.635 7.635 8.441 -0.806 19586 11831 1 18 . 1 1 12 12 PHE N N 12 119.574 119.574 120.720 -1.146 19586 11832 1 18 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.302 0.484 19586 11833 1 18 . 1 1 12 12 PHE CA C 12 56.954 56.954 62.152 -5.198 19586 11834 1 18 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.625 -4.561 19586 11835 1 18 . 1 1 12 12 PHE H H 12 8.441 8.441 8.360 0.081 19586 11836 1 18 . 1 1 13 13 LYS N N 13 123.454 123.454 118.454 5.000 19586 11837 1 18 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.373 -0.470 19586 11838 1 18 . 1 1 13 13 LYS CA C 13 57.296 57.296 57.999 -0.703 19586 11839 1 18 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.161 -2.569 19586 11840 1 18 . 1 1 13 13 LYS H H 13 9.103 9.103 7.891 1.212 19586 11841 1 18 . 1 1 14 14 GLU N N 14 119.525 119.525 116.373 3.152 19586 11842 1 18 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.394 -0.483 19586 11843 1 18 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.844 -1.379 19586 11844 1 18 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.390 -3.888 19586 11845 1 18 . 1 1 14 14 GLU H H 14 7.667 7.667 7.945 -0.278 19586 11846 1 18 . 1 1 15 15 ALA N N 15 121.983 121.983 122.165 -0.182 19586 11847 1 18 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.223 -0.262 19586 11848 1 18 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.791 -2.040 19586 11849 1 18 . 1 1 15 15 ALA CB C 15 15.228 15.228 19.142 -3.914 19586 11850 1 18 . 1 1 15 15 ALA H H 15 7.816 7.816 7.953 -0.137 19586 11851 1 18 . 1 1 16 16 PHE N N 16 118.874 118.874 118.893 -0.019 19586 11852 1 18 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.109 -1.014 19586 11853 1 18 . 1 1 16 16 PHE CA C 16 59.544 59.544 61.312 -1.768 19586 11854 1 18 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.488 -2.714 19586 11855 1 18 . 1 1 16 16 PHE H H 16 8.764 8.764 8.732 0.032 19586 11856 1 18 . 1 1 17 17 SER N N 17 111.578 111.578 112.580 -1.002 19586 11857 1 18 . 1 1 17 17 SER HA H 17 3.979 3.979 4.309 -0.330 19586 11858 1 18 . 1 1 17 17 SER CA C 17 58.567 58.567 60.254 -1.687 19586 11859 1 18 . 1 1 17 17 SER CB C 17 60.600 60.600 62.983 -2.383 19586 11860 1 18 . 1 1 17 17 SER H H 17 7.825 7.825 8.687 -0.862 19586 11861 1 18 . 1 1 18 18 LEU N N 18 121.167 121.167 120.103 1.064 19586 11862 1 18 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.013 -0.066 19586 11863 1 18 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.116 -2.508 19586 11864 1 18 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.224 -2.586 19586 11865 1 18 . 1 1 18 18 LEU H H 18 7.240 7.240 7.233 0.007 19586 11866 1 18 . 1 1 19 19 PHE N N 19 114.405 114.405 114.504 -0.099 19586 11867 1 18 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.346 -0.435 19586 11868 1 18 . 1 1 19 19 PHE CA C 19 57.247 57.247 58.847 -1.600 19586 11869 1 18 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.782 -5.972 19586 11870 1 18 . 1 1 19 19 PHE H H 19 7.090 7.090 7.231 -0.141 19586 11871 1 18 . 1 1 20 20 ASP N N 20 115.823 115.823 120.090 -4.267 19586 11872 1 18 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.354 0.122 19586 11873 1 18 . 1 1 20 20 ASP CA C 20 49.476 49.476 55.069 -5.593 19586 11874 1 18 . 1 1 20 20 ASP CB C 20 36.782 36.782 40.375 -3.593 19586 11875 1 18 . 1 1 20 20 ASP H H 20 7.662 7.662 8.040 -0.378 19586 11876 1 18 . 1 1 21 21 LYS N N 21 124.906 124.906 124.372 0.534 19586 11877 1 18 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.132 -0.346 19586 11878 1 18 . 1 1 21 21 LYS CA C 21 56.025 56.025 58.066 -2.041 19586 11879 1 18 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.418 -2.718 19586 11880 1 18 . 1 1 21 21 LYS H H 21 7.539 7.539 8.137 -0.598 19586 11881 1 18 . 1 1 22 22 ASP N N 22 113.550 113.550 117.186 -3.636 19586 11882 1 18 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.701 -0.270 19586 11883 1 18 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.175 -5.210 19586 11884 1 18 . 1 1 22 22 ASP CB C 22 36.774 36.774 42.039 -5.265 19586 11885 1 18 . 1 1 22 22 ASP H H 22 7.965 7.965 7.696 0.269 19586 11886 1 18 . 1 1 23 23 GLY N N 23 109.354 109.354 108.864 0.490 19586 11887 1 18 . 1 1 23 23 GLY CA C 23 44.442 44.442 45.971 -1.529 19586 11888 1 18 . 1 1 23 23 GLY H H 23 7.606 7.606 8.303 -0.697 19586 11889 1 18 . 1 1 24 24 ASP N N 24 120.643 120.643 120.752 -0.109 19586 11890 1 18 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.762 -0.407 19586 11891 1 18 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.514 -3.474 19586 11892 1 18 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.501 -3.815 19586 11893 1 18 . 1 1 24 24 ASP H H 24 8.266 8.266 8.208 0.058 19586 11894 1 18 . 1 1 25 25 GLY N N 25 113.205 113.205 108.381 4.824 19586 11895 1 18 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.403 -2.720 19586 11896 1 18 . 1 1 25 25 GLY H H 25 10.545 10.545 8.235 2.310 19586 11897 1 18 . 1 1 26 26 THR N N 26 112.852 112.852 110.853 1.999 19586 11898 1 18 . 1 1 26 26 THR HA H 26 5.170 5.170 5.635 -0.465 19586 11899 1 18 . 1 1 26 26 THR CA C 26 56.954 56.954 60.053 -3.099 19586 11900 1 18 . 1 1 26 26 THR CB C 26 69.948 69.948 71.788 -1.841 19586 11901 1 18 . 1 1 26 26 THR H H 26 8.020 8.020 8.277 -0.258 19586 11902 1 18 . 1 1 27 27 ILE N N 27 127.005 127.005 121.555 5.450 19586 11903 1 18 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.479 -0.652 19586 11904 1 18 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.466 -1.535 19586 11905 1 18 . 1 1 27 27 ILE CB C 27 37.230 37.230 40.663 -3.433 19586 11906 1 18 . 1 1 27 27 ILE H H 27 9.689 9.689 7.798 1.891 19586 11907 1 18 . 1 1 28 28 THR N N 28 116.439 116.439 118.493 -2.054 19586 11908 1 18 . 1 1 28 28 THR HA H 28 4.642 4.642 4.336 0.306 19586 11909 1 18 . 1 1 28 28 THR CA C 28 56.612 56.612 62.515 -5.903 19586 11910 1 18 . 1 1 28 28 THR CB C 28 69.606 69.606 69.376 0.230 19586 11911 1 18 . 1 1 28 28 THR H H 28 8.275 8.275 8.398 -0.123 19586 11912 1 18 . 1 1 29 29 THR N N 29 113.287 113.287 120.458 -7.171 19586 11913 1 18 . 1 1 29 29 THR HA H 29 3.635 3.635 4.142 -0.507 19586 11914 1 18 . 1 1 29 29 THR CA C 29 63.845 63.845 62.827 1.018 19586 11915 1 18 . 1 1 29 29 THR CB C 29 65.616 65.616 68.765 -3.149 19586 11916 1 18 . 1 1 29 29 THR H H 29 9.054 9.054 8.657 0.397 19586 11917 1 18 . 1 1 30 30 LYS N N 30 121.230 121.230 119.254 1.976 19586 11918 1 18 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.219 -0.316 19586 11919 1 18 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.522 -2.057 19586 11920 1 18 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.401 -2.701 19586 11921 1 18 . 1 1 30 30 LYS H H 30 7.578 7.578 7.938 -0.360 19586 11922 1 18 . 1 1 31 31 GLU N N 31 122.002 122.002 118.781 3.221 19586 11923 1 18 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.277 -0.414 19586 11924 1 18 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.238 -0.089 19586 11925 1 18 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.958 -2.900 19586 11926 1 18 . 1 1 31 31 GLU H H 31 7.712 7.712 8.484 -0.772 19586 11927 1 18 . 1 1 32 32 LEU N N 32 119.130 119.130 119.737 -0.607 19586 11928 1 18 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.201 -0.276 19586 11929 1 18 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.787 -1.258 19586 11930 1 18 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.517 -1.536 19586 11931 1 18 . 1 1 32 32 LEU H H 32 8.509 8.509 7.918 0.591 19586 11932 1 18 . 1 1 33 33 GLY N N 33 103.747 103.747 105.382 -1.635 19586 11933 1 18 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.904 -0.240 19586 11934 1 18 . 1 1 33 33 GLY H H 33 8.388 8.388 7.653 0.735 19586 11935 1 18 . 1 1 34 34 THR N N 34 117.487 117.487 117.137 0.350 19586 11936 1 18 . 1 1 34 34 THR HA H 34 3.795 3.795 4.762 -0.967 19586 11937 1 18 . 1 1 34 34 THR CA C 34 64.285 64.285 63.541 0.744 19586 11938 1 18 . 1 1 34 34 THR CB C 34 66.186 66.186 68.702 -2.516 19586 11939 1 18 . 1 1 34 34 THR H H 34 7.935 7.935 7.583 0.352 19586 11940 1 18 . 1 1 35 35 VAL N N 35 120.287 120.287 119.215 1.072 19586 11941 1 18 . 1 1 35 35 VAL H H 35 7.089 7.089 7.364 -0.275 19586 11942 1 18 . 1 1 36 36 MET N N 36 117.816 117.816 119.113 -1.297 19586 11943 1 18 . 1 1 36 36 MET HA H 36 3.911 3.911 4.268 -0.357 19586 11944 1 18 . 1 1 36 36 MET CA C 36 57.101 57.101 58.246 -1.145 19586 11945 1 18 . 1 1 36 36 MET CB C 36 29.929 29.929 32.202 -2.273 19586 11946 1 18 . 1 1 36 36 MET H H 36 8.318 8.318 7.769 0.549 19586 11947 1 18 . 1 1 37 37 ARG N N 37 117.706 117.706 119.004 -1.298 19586 11948 1 18 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.178 0.520 19586 11949 1 18 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.600 -2.428 19586 11950 1 18 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.789 -2.705 19586 11951 1 18 . 1 1 37 37 ARG H H 37 8.233 8.233 7.796 0.437 19586 11952 1 18 . 1 1 38 38 SER N N 38 118.974 118.974 114.439 4.535 19586 11953 1 18 . 1 1 38 38 SER HA H 38 4.187 4.187 4.486 -0.299 19586 11954 1 18 . 1 1 38 38 SER CA C 38 59.251 59.251 60.648 -1.397 19586 11955 1 18 . 1 1 38 38 SER CB C 38 67.782 67.782 63.716 4.066 19586 11956 1 18 . 1 1 38 38 SER H H 38 7.874 7.874 7.798 0.076 19586 11957 1 18 . 1 1 39 39 LEU N N 39 118.835 118.835 122.570 -3.735 19586 11958 1 18 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.427 -0.288 19586 11959 1 18 . 1 1 39 39 LEU CA C 39 51.333 51.333 55.327 -3.994 19586 11960 1 18 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.088 -2.450 19586 11961 1 18 . 1 1 39 39 LEU H H 39 7.248 7.248 7.877 -0.629 19586 11962 1 18 . 1 1 40 40 GLY N N 40 104.990 104.990 106.144 -1.154 19586 11963 1 18 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.681 -2.803 19586 11964 1 18 . 1 1 40 40 GLY H H 40 7.471 7.471 7.985 -0.514 19586 11965 1 18 . 1 1 41 41 GLN N N 41 118.032 118.032 118.582 -0.550 19586 11966 1 18 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.573 -0.203 19586 11967 1 18 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.243 -3.056 19586 11968 1 18 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.007 -0.389 19586 11969 1 18 . 1 1 41 41 GLN H H 41 7.860 7.860 7.887 -0.027 19586 11970 1 18 . 1 1 42 42 ASN N N 42 115.671 115.671 116.635 -0.964 19586 11971 1 18 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.019 0.075 19586 11972 1 18 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.760 -2.066 19586 11973 1 18 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.421 -2.867 19586 11974 1 18 . 1 1 42 42 ASN H H 42 8.561 8.561 8.369 0.192 19586 11975 1 18 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.471 0.240 19586 11976 1 18 . 1 1 44 44 THR N N 44 113.509 113.509 117.909 -4.400 19586 11977 1 18 . 1 1 44 44 THR HA H 44 4.321 4.321 4.467 -0.146 19586 11978 1 18 . 1 1 44 44 THR CA C 44 57.638 57.638 59.865 -2.227 19586 11979 1 18 . 1 1 44 44 THR CB C 44 68.466 68.466 68.930 -0.464 19586 11980 1 18 . 1 1 44 44 THR H H 44 8.882 8.882 8.347 0.535 19586 11981 1 18 . 1 1 45 45 GLU N N 45 120.506 120.506 123.927 -3.421 19586 11982 1 18 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.896 -0.016 19586 11983 1 18 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.900 -2.799 19586 11984 1 18 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.618 -3.344 19586 11985 1 18 . 1 1 45 45 GLU H H 45 8.662 8.662 8.547 0.115 19586 11986 1 18 . 1 1 46 46 ALA N N 46 120.586 120.586 119.425 1.161 19586 11987 1 18 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.202 -0.277 19586 11988 1 18 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.189 -1.878 19586 11989 1 18 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.459 -3.379 19586 11990 1 18 . 1 1 46 46 ALA H H 46 8.139 8.139 8.230 -0.091 19586 11991 1 18 . 1 1 47 47 GLU N N 47 118.171 118.171 118.986 -0.815 19586 11992 1 18 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.146 -0.270 19586 11993 1 18 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.802 -2.532 19586 11994 1 18 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.895 -3.609 19586 11995 1 18 . 1 1 47 47 GLU H H 47 7.597 7.597 7.989 -0.393 19586 11996 1 18 . 1 1 48 48 LEU N N 48 120.228 120.228 116.152 4.076 19586 11997 1 18 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.104 -0.177 19586 11998 1 18 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.455 -2.407 19586 11999 1 18 . 1 1 48 48 LEU CB C 48 39.981 39.981 39.758 0.223 19586 12000 1 18 . 1 1 48 48 LEU H H 48 7.848 7.848 7.424 0.424 19586 12001 1 18 . 1 1 49 49 GLN N N 49 117.910 117.910 118.289 -0.379 19586 12002 1 18 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.068 -0.167 19586 12003 1 18 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.942 -3.210 19586 12004 1 18 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.387 -0.504 19586 12005 1 18 . 1 1 49 49 GLN H H 49 8.037 8.037 8.252 -0.215 19586 12006 1 18 . 1 1 50 50 ASP N N 50 119.284 119.284 119.153 0.131 19586 12007 1 18 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.467 -0.310 19586 12008 1 18 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.302 -1.596 19586 12009 1 18 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.916 -3.344 19586 12010 1 18 . 1 1 50 50 ASP H H 50 8.010 8.010 7.611 0.399 19586 12011 1 18 . 1 1 51 51 MET N N 51 119.245 119.245 117.604 1.641 19586 12012 1 18 . 1 1 51 51 MET HA H 51 3.923 3.923 4.454 -0.531 19586 12013 1 18 . 1 1 51 51 MET CA C 51 56.563 56.563 58.006 -1.443 19586 12014 1 18 . 1 1 51 51 MET CB C 51 29.478 29.478 34.418 -4.940 19586 12015 1 18 . 1 1 51 51 MET H H 51 7.614 7.614 7.465 0.149 19586 12016 1 18 . 1 1 52 52 ILE N N 52 117.584 117.584 120.407 -2.823 19586 12017 1 18 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.790 -0.462 19586 12018 1 18 . 1 1 52 52 ILE CA C 52 61.890 61.890 64.204 -2.313 19586 12019 1 18 . 1 1 52 52 ILE CB C 52 34.494 34.494 36.928 -2.434 19586 12020 1 18 . 1 1 52 52 ILE H H 52 7.514 7.514 9.016 -1.502 19586 12021 1 18 . 1 1 53 53 ASN N N 53 117.126 117.126 117.385 -0.259 19586 12022 1 18 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.683 -0.461 19586 12023 1 18 . 1 1 53 53 ASN CA C 53 53.093 53.093 55.954 -2.861 19586 12024 1 18 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.933 -3.641 19586 12025 1 18 . 1 1 53 53 ASN H H 53 8.418 8.418 7.703 0.715 19586 12026 1 18 . 1 1 54 54 GLU N N 54 116.380 116.380 116.615 -0.235 19586 12027 1 18 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.216 -0.313 19586 12028 1 18 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.105 -1.982 19586 12029 1 18 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.390 -3.990 19586 12030 1 18 . 1 1 54 54 GLU H H 54 7.466 7.466 8.294 -0.828 19586 12031 1 18 . 1 1 55 55 VAL N N 55 108.622 108.622 111.556 -2.934 19586 12032 1 18 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.233 0.081 19586 12033 1 18 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.804 -3.628 19586 12034 1 18 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.848 -1.686 19586 12035 1 18 . 1 1 55 55 VAL H H 55 7.044 7.044 7.799 -0.755 19586 12036 1 18 . 1 1 56 56 ASP N N 56 121.430 121.430 121.180 0.250 19586 12037 1 18 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.709 -0.319 19586 12038 1 18 . 1 1 56 56 ASP CA C 56 50.991 50.991 51.831 -0.840 19586 12039 1 18 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.279 -1.383 19586 12040 1 18 . 1 1 56 56 ASP H H 56 7.561 7.561 7.872 -0.311 19586 12041 1 18 . 1 1 57 57 ALA N N 57 131.840 131.840 124.851 6.989 19586 12042 1 18 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.157 -0.104 19586 12043 1 18 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.626 -3.146 19586 12044 1 18 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.098 -2.305 19586 12045 1 18 . 1 1 57 57 ALA H H 57 8.357 8.357 7.982 0.375 19586 12046 1 18 . 1 1 58 58 ASP N N 58 113.565 113.565 116.836 -3.271 19586 12047 1 18 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.762 -0.272 19586 12048 1 18 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.084 -3.168 19586 12049 1 18 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.392 -4.618 19586 12050 1 18 . 1 1 58 58 ASP H H 58 7.985 7.985 7.871 0.114 19586 12051 1 18 . 1 1 59 59 GLY N N 59 108.187 108.187 108.938 -0.751 19586 12052 1 18 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.235 -1.744 19586 12053 1 18 . 1 1 59 59 GLY H H 59 7.424 7.424 7.772 -0.348 19586 12054 1 18 . 1 1 60 60 ASN N N 60 118.065 118.065 120.611 -2.546 19586 12055 1 18 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.681 -0.235 19586 12056 1 18 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.298 -3.529 19586 12057 1 18 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.148 -2.594 19586 12058 1 18 . 1 1 60 60 ASN H H 60 7.919 7.919 8.459 -0.540 19586 12059 1 18 . 1 1 61 61 GLY N N 61 113.247 113.247 107.485 5.762 19586 12060 1 18 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.419 -3.542 19586 12061 1 18 . 1 1 61 61 GLY H H 61 10.485 10.485 8.540 1.945 19586 12062 1 18 . 1 1 62 62 THR N N 62 108.699 108.699 111.776 -3.077 19586 12063 1 18 . 1 1 62 62 THR HA H 62 4.580 4.580 4.438 0.142 19586 12064 1 18 . 1 1 62 62 THR CA C 62 56.661 56.661 60.732 -4.071 19586 12065 1 18 . 1 1 62 62 THR H H 62 7.511 7.511 7.449 0.062 19586 12066 1 18 . 1 1 63 63 ILE N N 63 122.834 122.834 122.001 0.833 19586 12067 1 18 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.477 0.577 19586 12068 1 18 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.089 -1.988 19586 12069 1 18 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.864 -4.520 19586 12070 1 18 . 1 1 63 63 ILE H H 63 8.741 8.741 8.083 0.658 19586 12071 1 18 . 1 1 64 64 ASP N N 64 127.818 127.818 125.491 2.327 19586 12072 1 18 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.300 -0.062 19586 12073 1 18 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.606 -3.228 19586 12074 1 18 . 1 1 64 64 ASP CB C 64 36.782 36.782 42.595 -5.813 19586 12075 1 18 . 1 1 64 64 ASP H H 64 8.702 8.702 8.475 0.227 19586 12076 1 18 . 1 1 65 65 PHE N N 65 118.653 118.653 117.700 0.953 19586 12077 1 18 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.299 -0.438 19586 12078 1 18 . 1 1 65 65 PHE CA C 65 60.717 60.717 62.840 -2.123 19586 12079 1 18 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.389 -4.263 19586 12080 1 18 . 1 1 65 65 PHE H H 65 8.847 8.847 8.747 0.100 19586 12081 1 18 . 1 1 67 67 GLU N N 67 117.631 117.631 117.343 0.288 19586 12082 1 18 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.285 -0.382 19586 12083 1 18 . 1 1 67 67 GLU CA C 67 56.337 56.337 56.460 -0.123 19586 12084 1 18 . 1 1 67 67 GLU CB C 67 26.045 26.045 29.103 -3.058 19586 12085 1 18 . 1 1 67 67 GLU H H 67 7.940 7.940 8.833 -0.893 19586 12086 1 18 . 1 1 68 68 PHE N N 68 123.289 123.289 120.512 2.777 19586 12087 1 18 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.257 -0.417 19586 12088 1 18 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.316 -2.590 19586 12089 1 18 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.316 -1.744 19586 12090 1 18 . 1 1 68 68 PHE H H 68 8.757 8.757 7.560 1.197 19586 12091 1 18 . 1 1 69 69 LEU N N 69 118.867 118.867 118.189 0.678 19586 12092 1 18 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.140 -0.895 19586 12093 1 18 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.977 -1.819 19586 12094 1 18 . 1 1 69 69 LEU CB C 69 38.256 38.256 42.046 -3.790 19586 12095 1 18 . 1 1 69 69 LEU H H 69 8.403 8.403 8.306 0.097 19586 12096 1 18 . 1 1 70 70 THR N N 70 116.302 116.302 112.135 4.167 19586 12097 1 18 . 1 1 70 70 THR HA H 70 3.624 3.624 4.009 -0.385 19586 12098 1 18 . 1 1 70 70 THR CA C 70 63.843 63.843 65.477 -1.634 19586 12099 1 18 . 1 1 70 70 THR CB C 70 65.502 65.502 68.444 -2.942 19586 12100 1 18 . 1 1 70 70 THR H H 70 7.540 7.540 7.975 -0.435 19586 12101 1 18 . 1 1 71 71 MET N N 71 121.710 121.710 121.112 0.598 19586 12102 1 18 . 1 1 71 71 MET HA H 71 3.903 3.903 4.274 -0.371 19586 12103 1 18 . 1 1 71 71 MET CA C 71 56.303 56.303 57.929 -1.626 19586 12104 1 18 . 1 1 71 71 MET CB C 71 29.706 29.706 31.682 -1.976 19586 12105 1 18 . 1 1 71 71 MET H H 71 7.723 7.723 7.483 0.240 19586 12106 1 18 . 1 1 72 72 MET N N 72 116.535 116.535 117.951 -1.416 19586 12107 1 18 . 1 1 72 72 MET HA H 72 3.773 3.773 4.296 -0.523 19586 12108 1 18 . 1 1 72 72 MET CA C 72 53.307 53.307 56.872 -3.565 19586 12109 1 18 . 1 1 72 72 MET CB C 72 28.787 28.787 31.942 -3.155 19586 12110 1 18 . 1 1 72 72 MET H H 72 7.982 7.982 7.710 0.272 19586 12111 1 18 . 1 1 73 73 ALA N N 73 121.584 121.584 122.844 -1.260 19586 12112 1 18 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.030 -0.150 19586 12113 1 18 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.687 -2.592 19586 12114 1 18 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.108 -2.766 19586 12115 1 18 . 1 1 73 73 ALA H H 73 8.074 8.074 7.659 0.415 19586 12116 1 18 . 1 1 74 74 ARG N N 74 115.784 115.784 117.202 -1.418 19586 12117 1 18 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.112 -0.209 19586 12118 1 18 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.466 -2.735 19586 12119 1 18 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.273 -2.286 19586 12120 1 18 . 1 1 74 74 ARG H H 74 7.358 7.358 7.677 -0.319 19586 12121 1 18 . 1 1 75 75 LYS N N 75 117.245 117.245 118.094 -0.849 19586 12122 1 18 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.231 -0.282 19586 12123 1 18 . 1 1 75 75 LYS CA C 75 53.947 53.947 58.096 -4.149 19586 12124 1 18 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.621 -6.221 19586 12125 1 18 . 1 1 75 75 LYS H H 75 7.640 7.640 7.733 -0.093 19586 12126 1 18 . 1 1 76 76 MET N N 76 117.971 117.971 120.481 -2.510 19586 12127 1 18 . 1 1 76 76 MET HA H 76 4.242 4.242 4.417 -0.175 19586 12128 1 18 . 1 1 76 76 MET CA C 76 53.947 53.947 54.790 -0.843 19586 12129 1 18 . 1 1 76 76 MET CB C 76 29.478 29.478 31.651 -2.173 19586 12130 1 18 . 1 1 76 76 MET H H 76 7.794 7.794 7.760 0.034 19586 12131 1 18 . 1 1 77 77 LYS N N 77 119.902 119.902 122.447 -2.545 19586 12132 1 18 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.382 -0.230 19586 12133 1 18 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.971 -1.688 19586 12134 1 18 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.214 -0.736 19586 12135 1 18 . 1 1 77 77 LYS H H 77 7.622 7.622 7.531 0.091 19586 12136 1 18 . 1 1 78 78 ASP N N 78 119.146 119.146 119.921 -0.775 19586 12137 1 18 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.399 -0.156 19586 12138 1 18 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.977 -2.916 19586 12139 1 18 . 1 1 78 78 ASP H H 78 7.991 7.991 7.986 0.005 19586 12140 1 18 . 1 1 79 79 THR N N 79 112.750 112.750 110.635 2.115 19586 12141 1 18 . 1 1 79 79 THR HA H 79 4.170 4.170 4.206 -0.036 19586 12142 1 18 . 1 1 79 79 THR CA C 79 59.030 59.030 61.878 -2.848 19586 12143 1 18 . 1 1 79 79 THR CB C 79 67.668 67.668 69.922 -2.254 19586 12144 1 18 . 1 1 79 79 THR H H 79 7.587 7.587 7.680 -0.093 19586 12145 1 18 . 1 1 80 80 ASP N N 80 122.888 122.888 122.227 0.661 19586 12146 1 18 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.687 -0.316 19586 12147 1 18 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.531 -3.681 19586 12148 1 18 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.425 -5.072 19586 12149 1 18 . 1 1 80 80 ASP H H 80 8.354 8.354 8.680 -0.326 19586 12150 1 18 . 1 1 81 81 SER N N 81 117.571 117.571 115.392 2.179 19586 12151 1 18 . 1 1 81 81 SER HA H 81 4.115 4.115 4.333 -0.218 19586 12152 1 18 . 1 1 81 81 SER CA C 81 57.717 57.717 61.301 -3.584 19586 12153 1 18 . 1 1 81 81 SER CB C 81 60.884 60.884 63.888 -3.004 19586 12154 1 18 . 1 1 81 81 SER H H 81 8.232 8.232 8.590 -0.358 19586 12155 1 18 . 1 1 82 82 GLU N N 82 121.860 121.860 121.621 0.239 19586 12156 1 18 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.002 -0.119 19586 12157 1 18 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.689 -2.982 19586 12158 1 18 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.241 0.351 19586 12159 1 18 . 1 1 82 82 GLU H H 82 8.364 8.364 8.757 -0.393 19586 12160 1 18 . 1 1 83 83 GLU N N 83 119.398 119.398 117.673 1.725 19586 12161 1 18 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.099 -0.216 19586 12162 1 18 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.382 -2.776 19586 12163 1 18 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.321 0.043 19586 12164 1 18 . 1 1 83 83 GLU H H 83 8.032 8.032 8.883 -0.851 19586 12165 1 18 . 1 1 84 84 GLU N N 84 118.279 118.279 119.134 -0.855 19586 12166 1 18 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.185 -0.314 19586 12167 1 18 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.368 -1.762 19586 12168 1 18 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.614 -3.797 19586 12169 1 18 . 1 1 84 84 GLU H H 84 8.153 8.153 7.719 0.434 19586 12170 1 18 . 1 1 85 85 ILE N N 85 120.970 120.970 120.708 0.262 19586 12171 1 18 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.876 -0.264 19586 12172 1 18 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.568 -1.129 19586 12173 1 18 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.438 -3.830 19586 12174 1 18 . 1 1 85 85 ILE H H 85 7.927 7.927 8.091 -0.164 19586 12175 1 18 . 1 1 86 86 ARG N N 86 121.766 121.766 118.908 2.858 19586 12176 1 18 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.086 -0.078 19586 12177 1 18 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.589 -2.074 19586 12178 1 18 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.317 -3.461 19586 12179 1 18 . 1 1 86 86 ARG H H 86 8.233 8.233 8.418 -0.185 19586 12180 1 18 . 1 1 87 87 GLU N N 87 118.369 118.369 117.200 1.169 19586 12181 1 18 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.206 -0.304 19586 12182 1 18 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.399 -0.793 19586 12183 1 18 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.341 -3.524 19586 12184 1 18 . 1 1 87 87 GLU H H 87 8.156 8.156 7.957 0.199 19586 12185 1 18 . 1 1 88 88 ALA N N 88 120.337 120.337 118.687 1.650 19586 12186 1 18 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.692 -0.743 19586 12187 1 18 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.389 -0.126 19586 12188 1 18 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.303 -5.223 19586 12189 1 18 . 1 1 88 88 ALA H H 88 7.877 7.877 7.452 0.425 19586 12190 1 18 . 1 1 89 89 PHE N N 89 118.191 118.191 121.351 -3.160 19586 12191 1 18 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.368 -1.253 19586 12192 1 18 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.810 -2.107 19586 12193 1 18 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.968 -3.194 19586 12194 1 18 . 1 1 89 89 PHE H H 89 8.459 8.459 7.993 0.466 19586 12195 1 18 . 1 1 90 90 ARG N N 90 115.953 115.953 117.539 -1.586 19586 12196 1 18 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.561 -0.656 19586 12197 1 18 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.847 -2.679 19586 12198 1 18 . 1 1 90 90 ARG CB C 90 27.654 27.654 30.172 -2.518 19586 12199 1 18 . 1 1 90 90 ARG H H 90 7.764 7.764 7.815 -0.051 19586 12200 1 18 . 1 1 91 91 VAL N N 91 118.202 118.202 116.782 1.420 19586 12201 1 18 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.944 -0.659 19586 12202 1 18 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.723 -1.366 19586 12203 1 18 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.799 -3.355 19586 12204 1 18 . 1 1 91 91 VAL H H 91 7.229 7.229 7.414 -0.185 19586 12205 1 18 . 1 1 92 92 PHE N N 92 112.447 112.447 118.156 -5.709 19586 12206 1 18 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.305 -0.360 19586 12207 1 18 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.915 -0.886 19586 12208 1 18 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.420 -1.582 19586 12209 1 18 . 1 1 92 92 PHE H H 92 6.699 6.699 7.377 -0.678 19586 12210 1 18 . 1 1 93 93 ASP N N 93 116.461 116.461 118.239 -1.778 19586 12211 1 18 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.921 -0.445 19586 12212 1 18 . 1 1 93 93 ASP CA C 93 49.525 49.525 52.845 -3.320 19586 12213 1 18 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.521 -5.338 19586 12214 1 18 . 1 1 93 93 ASP H H 93 7.881 7.881 7.992 -0.111 19586 12215 1 18 . 1 1 94 94 LYS N N 94 125.494 125.494 123.449 2.045 19586 12216 1 18 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.008 -0.340 19586 12217 1 18 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.959 -2.983 19586 12218 1 18 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.419 -1.005 19586 12219 1 18 . 1 1 94 94 LYS H H 94 7.596 7.596 8.644 -1.048 19586 12220 1 18 . 1 1 95 95 ASP N N 95 114.015 114.015 117.411 -3.396 19586 12221 1 18 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.694 -0.279 19586 12222 1 18 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.989 -4.682 19586 12223 1 18 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.968 -6.194 19586 12224 1 18 . 1 1 95 95 ASP H H 95 8.097 8.097 7.691 0.406 19586 12225 1 18 . 1 1 96 96 GLY N N 96 109.147 109.147 109.423 -0.276 19586 12226 1 18 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.115 -0.771 19586 12227 1 18 . 1 1 96 96 GLY H H 96 7.677 7.677 8.736 -1.059 19586 12228 1 18 . 1 1 97 97 ASN N N 97 119.575 119.575 119.570 0.005 19586 12229 1 18 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.825 -0.325 19586 12230 1 18 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.678 -2.762 19586 12231 1 18 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.099 -2.916 19586 12232 1 18 . 1 1 97 97 ASN H H 97 8.252 8.252 8.280 -0.028 19586 12233 1 18 . 1 1 98 98 GLY N N 98 112.465 112.465 106.372 6.093 19586 12234 1 18 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.796 -3.504 19586 12235 1 18 . 1 1 98 98 GLY H H 98 10.462 10.462 8.504 1.958 19586 12236 1 18 . 1 1 99 99 TYR N N 99 116.256 116.256 118.126 -1.870 19586 12237 1 18 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.877 0.005 19586 12238 1 18 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.792 -3.210 19586 12239 1 18 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.995 -2.014 19586 12240 1 18 . 1 1 99 99 TYR H H 99 7.557 7.557 7.651 -0.094 19586 12241 1 18 . 1 1 100 100 ILE N N 100 126.957 126.957 121.623 5.334 19586 12242 1 18 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.186 0.271 19586 12243 1 18 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.612 -1.996 19586 12244 1 18 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.674 -3.242 19586 12245 1 18 . 1 1 100 100 ILE H H 100 9.972 9.972 8.929 1.043 19586 12246 1 18 . 1 1 101 101 SER N N 101 123.739 123.739 122.845 0.894 19586 12247 1 18 . 1 1 101 101 SER HA H 101 4.711 4.711 4.381 0.330 19586 12248 1 18 . 1 1 101 101 SER CA C 101 52.897 52.897 58.327 -5.430 19586 12249 1 18 . 1 1 101 101 SER CB C 101 64.134 64.134 63.905 0.229 19586 12250 1 18 . 1 1 101 101 SER H H 101 8.844 8.844 8.443 0.401 19586 12251 1 18 . 1 1 102 102 ALA N N 102 123.028 123.028 128.073 -5.045 19586 12252 1 18 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.108 -0.397 19586 12253 1 18 . 1 1 102 102 ALA CA C 102 53.093 53.093 55.079 -1.986 19586 12254 1 18 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.966 -3.852 19586 12255 1 18 . 1 1 102 102 ALA H H 102 9.178 9.178 8.695 0.483 19586 12256 1 18 . 1 1 103 103 ALA N N 103 118.443 118.443 119.173 -0.730 19586 12257 1 18 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.386 -0.525 19586 12258 1 18 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.763 -0.354 19586 12259 1 18 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.591 -2.135 19586 12260 1 18 . 1 1 103 103 ALA H H 103 8.132 8.132 8.349 -0.217 19586 12261 1 18 . 1 1 104 104 GLU N N 104 120.139 120.139 120.434 -0.295 19586 12262 1 18 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.040 -0.201 19586 12263 1 18 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.304 -2.741 19586 12264 1 18 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.659 -3.259 19586 12265 1 18 . 1 1 104 104 GLU H H 104 7.786 7.786 7.539 0.247 19586 12266 1 18 . 1 1 105 105 LEU N N 105 121.545 121.545 118.729 2.816 19586 12267 1 18 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.822 0.080 19586 12268 1 18 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.695 -1.963 19586 12269 1 18 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.587 -1.378 19586 12270 1 18 . 1 1 105 105 LEU H H 105 8.240 8.240 7.884 0.356 19586 12271 1 18 . 1 1 106 106 ARG N N 106 118.625 118.625 116.288 2.337 19586 12272 1 18 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.965 -0.126 19586 12273 1 18 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.955 -1.610 19586 12274 1 18 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.644 0.746 19586 12275 1 18 . 1 1 106 106 ARG H H 106 8.761 8.761 8.234 0.527 19586 12276 1 18 . 1 1 107 107 HIS N N 107 119.052 119.052 117.808 1.244 19586 12277 1 18 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.376 -0.474 19586 12278 1 18 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.220 -2.413 19586 12279 1 18 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.612 -3.414 19586 12280 1 18 . 1 1 107 107 HIS H H 107 7.946 7.946 7.441 0.505 19586 12281 1 18 . 1 1 108 108 VAL N N 108 119.160 119.160 119.636 -0.476 19586 12282 1 18 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.721 -0.279 19586 12283 1 18 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.576 -1.292 19586 12284 1 18 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.949 -3.041 19586 12285 1 18 . 1 1 108 108 VAL H H 108 7.736 7.736 8.769 -1.033 19586 12286 1 18 . 1 1 109 109 MET N N 109 115.333 115.333 118.224 -2.891 19586 12287 1 18 . 1 1 109 109 MET HA H 109 4.139 4.139 4.084 0.055 19586 12288 1 18 . 1 1 109 109 MET CA C 109 54.686 54.686 56.962 -2.276 19586 12289 1 18 . 1 1 109 109 MET CB C 109 29.706 29.706 30.957 -1.251 19586 12290 1 18 . 1 1 109 109 MET H H 109 8.074 8.074 8.108 -0.034 19586 12291 1 18 . 1 1 110 110 THR N N 110 116.714 116.714 114.734 1.980 19586 12292 1 18 . 1 1 110 110 THR HA H 110 3.935 3.935 4.130 -0.195 19586 12293 1 18 . 1 1 110 110 THR CA C 110 63.845 63.845 65.946 -2.101 19586 12294 1 18 . 1 1 110 110 THR CB C 110 66.072 66.072 68.318 -2.246 19586 12295 1 18 . 1 1 110 110 THR H H 110 8.515 8.515 7.648 0.867 19586 12296 1 18 . 1 1 111 111 ASN N N 111 123.784 123.784 119.209 4.575 19586 12297 1 18 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.833 -0.591 19586 12298 1 18 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.074 -1.981 19586 12299 1 18 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.458 -3.166 19586 12300 1 18 . 1 1 111 111 ASN H H 111 7.890 7.890 7.750 0.140 19586 12301 1 18 . 1 1 112 112 LEU N N 112 118.227 118.227 117.452 0.775 19586 12302 1 18 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.296 -0.181 19586 12303 1 18 . 1 1 112 112 LEU CA C 112 52.653 52.653 55.017 -2.364 19586 12304 1 18 . 1 1 112 112 LEU CB C 112 39.738 39.738 42.150 -2.412 19586 12305 1 18 . 1 1 112 112 LEU H H 112 7.621 7.621 7.393 0.228 19586 12306 1 18 . 1 1 113 113 GLY N N 113 106.787 106.787 105.038 1.749 19586 12307 1 18 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.076 -2.540 19586 12308 1 18 . 1 1 113 113 GLY H H 113 7.701 7.701 7.532 0.169 19586 12309 1 18 . 1 1 114 114 GLU N N 114 120.288 120.288 118.838 1.450 19586 12310 1 18 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.564 -0.322 19586 12311 1 18 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.389 -1.322 19586 12312 1 18 . 1 1 114 114 GLU CB C 114 26.616 26.616 29.969 -3.353 19586 12313 1 18 . 1 1 114 114 GLU H H 114 7.864 7.864 7.647 0.217 19586 12314 1 18 . 1 1 115 115 LYS N N 115 124.987 124.987 125.801 -0.814 19586 12315 1 18 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.184 0.039 19586 12316 1 18 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.521 -3.673 19586 12317 1 18 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.089 -0.132 19586 12318 1 18 . 1 1 115 115 LYS H H 115 8.491 8.491 8.412 0.079 19586 12319 1 18 . 1 1 116 116 LEU N N 116 124.912 124.912 122.772 2.140 19586 12320 1 18 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.721 -0.009 19586 12321 1 18 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.996 -1.907 19586 12322 1 18 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.048 -1.460 19586 12323 1 18 . 1 1 116 116 LEU H H 116 7.978 7.978 7.778 0.200 19586 12324 1 18 . 1 1 117 117 THR N N 117 114.220 114.220 113.897 0.323 19586 12325 1 18 . 1 1 117 117 THR HA H 117 4.302 4.302 4.383 -0.081 19586 12326 1 18 . 1 1 117 117 THR CA C 117 57.834 57.834 61.300 -3.466 19586 12327 1 18 . 1 1 117 117 THR CB C 117 68.580 68.580 70.552 -1.972 19586 12328 1 18 . 1 1 117 117 THR H H 117 9.093 9.093 7.851 1.242 19586 12329 1 18 . 1 1 118 118 ASP N N 118 120.925 120.925 121.148 -0.223 19586 12330 1 18 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.203 -0.145 19586 12331 1 18 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.288 -3.045 19586 12332 1 18 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.980 -3.978 19586 12333 1 18 . 1 1 118 118 ASP H H 118 8.764 8.764 8.718 0.046 19586 12334 1 18 . 1 1 119 119 GLU N N 119 119.395 119.395 117.914 1.481 19586 12335 1 18 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.946 -0.019 19586 12336 1 18 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.219 -2.070 19586 12337 1 18 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.915 -2.984 19586 12338 1 18 . 1 1 119 119 GLU H H 119 8.509 8.509 8.709 -0.200 19586 12339 1 18 . 1 1 120 120 GLU N N 120 119.909 119.909 118.431 1.478 19586 12340 1 18 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.184 -0.288 19586 12341 1 18 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.478 -2.159 19586 12342 1 18 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.709 -3.879 19586 12343 1 18 . 1 1 120 120 GLU H H 120 7.585 7.585 7.827 -0.242 19586 12344 1 18 . 1 1 121 121 VAL N N 121 122.092 122.092 116.860 5.232 19586 12345 1 18 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.948 -0.506 19586 12346 1 18 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.385 -0.295 19586 12347 1 18 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.518 -2.838 19586 12348 1 18 . 1 1 121 121 VAL H H 121 7.849 7.849 7.205 0.644 19586 12349 1 18 . 1 1 122 122 ASP N N 122 120.167 120.167 121.079 -0.912 19586 12350 1 18 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.282 -0.125 19586 12351 1 18 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.417 -3.516 19586 12352 1 18 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.897 -3.325 19586 12353 1 18 . 1 1 122 122 ASP H H 122 7.912 7.912 8.823 -0.911 19586 12354 1 18 . 1 1 123 123 GLU N N 123 119.087 119.087 118.684 0.403 19586 12355 1 18 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.111 -0.215 19586 12356 1 18 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.939 -2.327 19586 12357 1 18 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.638 -3.466 19586 12358 1 18 . 1 1 123 123 GLU H H 123 7.839 7.839 7.741 0.098 19586 12359 1 18 . 1 1 124 124 MET N N 124 118.897 118.897 118.192 0.705 19586 12360 1 18 . 1 1 124 124 MET HA H 124 3.867 3.867 4.249 -0.382 19586 12361 1 18 . 1 1 124 124 MET CA C 124 56.905 56.905 59.209 -2.304 19586 12362 1 18 . 1 1 124 124 MET CB C 124 29.250 29.250 33.195 -3.945 19586 12363 1 18 . 1 1 124 124 MET H H 124 7.433 7.433 7.387 0.046 19586 12364 1 18 . 1 1 125 125 ILE N N 125 118.001 118.001 115.997 2.004 19586 12365 1 18 . 1 1 125 125 ILE HA H 125 3.380 3.380 3.924 -0.544 19586 12366 1 18 . 1 1 125 125 ILE CA C 125 60.131 60.131 64.154 -4.023 19586 12367 1 18 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.546 -4.306 19586 12368 1 18 . 1 1 125 125 ILE H H 125 7.658 7.658 8.560 -0.902 19586 12369 1 18 . 1 1 126 126 ARG N N 126 117.720 117.720 119.641 -1.921 19586 12370 1 18 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.079 -0.196 19586 12371 1 18 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.487 -2.814 19586 12372 1 18 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.228 -0.750 19586 12373 1 18 . 1 1 126 126 ARG H H 126 7.974 7.974 8.188 -0.214 19586 12374 1 18 . 1 1 127 127 GLU N N 127 117.050 117.050 116.721 0.329 19586 12375 1 18 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.244 -0.277 19586 12376 1 18 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.704 -1.385 19586 12377 1 18 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.967 -3.681 19586 12378 1 18 . 1 1 127 127 GLU H H 127 7.635 7.635 7.699 -0.064 19586 12379 1 18 . 1 1 128 128 ALA N N 128 116.966 116.966 118.601 -1.635 19586 12380 1 18 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.410 0.090 19586 12381 1 18 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.258 -4.053 19586 12382 1 18 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.310 -0.205 19586 12383 1 18 . 1 1 128 128 ALA H H 128 7.155 7.155 7.129 0.026 19586 12384 1 18 . 1 1 129 129 ASP N N 129 118.033 118.033 119.395 -1.362 19586 12385 1 18 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.937 -0.586 19586 12386 1 18 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.091 -1.269 19586 12387 1 18 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.777 -4.091 19586 12388 1 18 . 1 1 129 129 ASP H H 129 7.806 7.806 7.754 0.052 19586 12389 1 18 . 1 1 130 130 ILE N N 130 127.927 127.927 121.922 6.005 19586 12390 1 18 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.156 -0.359 19586 12391 1 18 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.738 -2.216 19586 12392 1 18 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.105 -2.015 19586 12393 1 18 . 1 1 130 130 ILE H H 130 8.115 8.115 8.544 -0.429 19586 12394 1 18 . 1 1 131 131 ASP N N 131 116.634 116.634 119.761 -3.127 19586 12395 1 18 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.708 -0.365 19586 12396 1 18 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.568 -2.381 19586 12397 1 18 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.330 -3.862 19586 12398 1 18 . 1 1 131 131 ASP H H 131 8.202 8.202 7.875 0.327 19586 12399 1 18 . 1 1 132 132 GLY N N 132 108.586 108.586 108.643 -0.057 19586 12400 1 18 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.878 -1.240 19586 12401 1 18 . 1 1 132 132 GLY H H 132 7.535 7.535 7.694 -0.159 19586 12402 1 18 . 1 1 133 133 ASP N N 133 120.377 120.377 120.276 0.101 19586 12403 1 18 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.577 -0.226 19586 12404 1 18 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.591 -3.649 19586 12405 1 18 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.278 -3.820 19586 12406 1 18 . 1 1 133 133 ASP H H 133 8.215 8.215 8.842 -0.627 19586 12407 1 18 . 1 1 134 134 GLY N N 134 112.226 112.226 107.305 4.921 19586 12408 1 18 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.348 -2.226 19586 12409 1 18 . 1 1 134 134 GLY H H 134 9.971 9.971 8.567 1.404 19586 12410 1 18 . 1 1 135 135 GLN N N 135 115.229 115.229 117.076 -1.847 19586 12411 1 18 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.881 -0.750 19586 12412 1 18 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.481 -4.027 19586 12413 1 18 . 1 1 135 135 GLN CB C 135 30.614 30.614 33.953 -3.338 19586 12414 1 18 . 1 1 135 135 GLN H H 135 7.835 7.835 7.543 0.292 19586 12415 1 18 . 1 1 136 136 VAL N N 136 125.238 125.238 122.269 2.969 19586 12416 1 18 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.506 0.590 19586 12417 1 18 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.630 -1.917 19586 12418 1 18 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.664 -1.248 19586 12419 1 18 . 1 1 136 136 VAL H H 136 8.958 8.958 9.000 -0.042 19586 12420 1 18 . 1 1 137 137 ASN N N 137 129.058 129.058 125.999 3.059 19586 12421 1 18 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.770 0.456 19586 12422 1 18 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.284 -3.932 19586 12423 1 18 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.039 -3.399 19586 12424 1 18 . 1 1 137 137 ASN H H 137 9.435 9.435 8.752 0.683 19586 12425 1 18 . 1 1 138 138 TYR N N 138 118.627 118.627 118.843 -0.216 19586 12426 1 18 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.493 -1.301 19586 12427 1 18 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.159 -1.490 19586 12428 1 18 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.211 -0.639 19586 12429 1 18 . 1 1 138 138 TYR H H 138 8.146 8.146 8.381 -0.235 19586 12430 1 18 . 1 1 139 139 GLU N N 139 118.701 118.701 118.358 0.343 19586 12431 1 18 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.113 -0.602 19586 12432 1 18 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.121 -1.581 19586 12433 1 18 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.442 -3.168 19586 12434 1 18 . 1 1 139 139 GLU H H 139 7.974 7.974 8.161 -0.187 19586 12435 1 18 . 1 1 140 140 GLU N N 140 119.774 119.774 119.734 0.040 19586 12436 1 18 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.205 -0.294 19586 12437 1 18 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.975 -2.950 19586 12438 1 18 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.714 -3.440 19586 12439 1 18 . 1 1 140 140 GLU H H 140 8.676 8.676 7.777 0.899 19586 12440 1 18 . 1 1 141 141 PHE N N 141 124.074 124.074 120.208 3.866 19586 12441 1 18 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.155 -0.508 19586 12442 1 18 . 1 1 141 141 PHE CA C 141 59.447 59.447 61.187 -1.740 19586 12443 1 18 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.985 -1.299 19586 12444 1 18 . 1 1 141 141 PHE H H 141 8.507 8.507 7.719 0.788 19586 12445 1 18 . 1 1 142 142 VAL N N 142 119.203 119.203 115.989 3.214 19586 12446 1 18 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.404 -0.446 19586 12447 1 18 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.148 -0.716 19586 12448 1 18 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.950 -2.042 19586 12449 1 18 . 1 1 142 142 VAL H H 142 8.639 8.639 7.588 1.051 19586 12450 1 18 . 1 1 143 143 GLN N N 143 120.173 120.173 119.913 0.260 19586 12451 1 18 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.991 -0.320 19586 12452 1 18 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.700 -2.186 19586 12453 1 18 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.704 -3.458 19586 12454 1 18 . 1 1 143 143 GLN H H 143 7.818 7.818 7.433 0.385 19586 12455 1 18 . 1 1 144 144 MET N N 144 118.573 118.573 115.606 2.967 19586 12456 1 18 . 1 1 144 144 MET HA H 144 3.882 3.882 4.342 -0.460 19586 12457 1 18 . 1 1 144 144 MET CA C 144 55.683 55.683 57.918 -2.235 19586 12458 1 18 . 1 1 144 144 MET CB C 144 28.110 28.110 33.230 -5.120 19586 12459 1 18 . 1 1 144 144 MET H H 144 7.403 7.403 8.197 -0.794 19586 12460 1 18 . 1 1 145 145 MET N N 145 114.053 114.053 113.985 0.068 19586 12461 1 18 . 1 1 145 145 MET HA H 145 3.940 3.940 4.440 -0.500 19586 12462 1 18 . 1 1 145 145 MET CA C 145 53.630 53.630 57.799 -4.169 19586 12463 1 18 . 1 1 145 145 MET CB C 145 29.592 29.592 32.214 -2.622 19586 12464 1 18 . 1 1 145 145 MET H H 145 7.534 7.534 6.940 0.594 19586 12465 1 18 . 1 1 146 146 THR N N 146 109.275 109.275 116.827 -7.552 19586 12466 1 18 . 1 1 146 146 THR HA H 146 4.175 4.175 4.113 0.062 19586 12467 1 18 . 1 1 146 146 THR CA C 146 59.251 59.251 64.337 -5.086 19586 12468 1 18 . 1 1 146 146 THR CB C 146 67.896 67.896 69.151 -1.255 19586 12469 1 18 . 1 1 146 146 THR H H 146 7.554 7.554 7.890 -0.336 19586 12470 1 18 . 1 1 147 147 ALA N N 147 126.913 126.913 122.162 4.751 19586 12471 1 18 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.531 -0.414 19586 12472 1 18 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.974 -0.667 19586 12473 1 18 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.715 -3.379 19586 12474 1 18 . 1 1 147 147 ALA H H 147 7.406 7.406 7.443 -0.037 19586 12475 1 19 . 1 1 2 2 ASP N N 2 120.378 120.378 121.475 -1.097 19586 12476 1 19 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.926 -0.341 19586 12477 1 19 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.089 -2.129 19586 12478 1 19 . 1 1 2 2 ASP H H 2 8.506 8.506 8.407 0.099 19586 12479 1 19 . 1 1 3 3 GLN N N 3 119.707 119.707 121.557 -1.850 19586 12480 1 19 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.663 -0.451 19586 12481 1 19 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.505 -2.770 19586 12482 1 19 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.716 -0.642 19586 12483 1 19 . 1 1 3 3 GLN H H 3 8.208 8.208 8.553 -0.345 19586 12484 1 19 . 1 1 4 4 LEU N N 4 123.069 123.069 119.919 3.150 19586 12485 1 19 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.785 -0.645 19586 12486 1 19 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.249 -3.591 19586 12487 1 19 . 1 1 4 4 LEU CB C 4 39.624 39.624 41.931 -2.307 19586 12488 1 19 . 1 1 4 4 LEU H H 4 8.181 8.181 8.515 -0.334 19586 12489 1 19 . 1 1 5 5 THR N N 5 112.909 112.909 114.897 -1.988 19586 12490 1 19 . 1 1 5 5 THR HA H 5 4.322 4.322 4.238 0.084 19586 12491 1 19 . 1 1 5 5 THR CA C 5 57.687 57.687 64.531 -6.844 19586 12492 1 19 . 1 1 5 5 THR CB C 5 68.580 68.580 68.838 -0.258 19586 12493 1 19 . 1 1 5 5 THR H H 5 8.607 8.607 8.041 0.566 19586 12494 1 19 . 1 1 6 6 GLU N N 6 120.224 120.224 121.249 -1.025 19586 12495 1 19 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.135 -0.310 19586 12496 1 19 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.486 -2.239 19586 12497 1 19 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.461 -0.325 19586 12498 1 19 . 1 1 6 6 GLU H H 6 8.877 8.877 8.407 0.470 19586 12499 1 19 . 1 1 7 7 GLU N N 7 119.350 119.350 118.638 0.712 19586 12500 1 19 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.144 -0.227 19586 12501 1 19 . 1 1 7 7 GLU CA C 7 57.198 57.198 59.182 -1.984 19586 12502 1 19 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.605 -3.331 19586 12503 1 19 . 1 1 7 7 GLU H H 7 8.524 8.524 8.572 -0.048 19586 12504 1 19 . 1 1 8 8 GLN N N 8 119.917 119.917 115.714 4.203 19586 12505 1 19 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.388 -0.485 19586 12506 1 19 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.755 -1.779 19586 12507 1 19 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.009 -2.609 19586 12508 1 19 . 1 1 8 8 GLN H H 8 7.603 7.603 7.858 -0.255 19586 12509 1 19 . 1 1 9 9 ILE N N 9 119.503 119.503 117.850 1.653 19586 12510 1 19 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.093 -0.454 19586 12511 1 19 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.807 1.989 19586 12512 1 19 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.765 -3.587 19586 12513 1 19 . 1 1 9 9 ILE H H 9 8.260 8.260 7.482 0.778 19586 12514 1 19 . 1 1 10 10 ALA N N 10 121.044 121.044 122.640 -1.596 19586 12515 1 19 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.325 -0.364 19586 12516 1 19 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.679 -1.977 19586 12517 1 19 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.741 -3.627 19586 12518 1 19 . 1 1 10 10 ALA H H 10 7.840 7.840 7.870 -0.030 19586 12519 1 19 . 1 1 11 11 GLU N N 11 119.113 119.113 118.700 0.413 19586 12520 1 19 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.424 -0.516 19586 12521 1 19 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.846 -1.283 19586 12522 1 19 . 1 1 11 11 GLU CB C 11 26.400 26.400 30.081 -3.681 19586 12523 1 19 . 1 1 11 11 GLU H H 11 7.635 7.635 7.898 -0.263 19586 12524 1 19 . 1 1 12 12 PHE N N 12 119.574 119.574 120.741 -1.167 19586 12525 1 19 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.291 0.495 19586 12526 1 19 . 1 1 12 12 PHE CA C 12 56.954 56.954 62.160 -5.205 19586 12527 1 19 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.480 -4.416 19586 12528 1 19 . 1 1 12 12 PHE H H 12 8.441 8.441 7.699 0.742 19586 12529 1 19 . 1 1 13 13 LYS N N 13 123.454 123.454 119.525 3.929 19586 12530 1 19 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.313 -0.410 19586 12531 1 19 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.335 -1.039 19586 12532 1 19 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.011 -2.419 19586 12533 1 19 . 1 1 13 13 LYS H H 13 9.103 9.103 8.281 0.822 19586 12534 1 19 . 1 1 14 14 GLU N N 14 119.525 119.525 118.037 1.488 19586 12535 1 19 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.411 -0.500 19586 12536 1 19 . 1 1 14 14 GLU CA C 14 56.465 56.465 58.650 -2.185 19586 12537 1 19 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.418 -3.916 19586 12538 1 19 . 1 1 14 14 GLU H H 14 7.667 7.667 8.040 -0.373 19586 12539 1 19 . 1 1 15 15 ALA N N 15 121.983 121.983 123.519 -1.536 19586 12540 1 19 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.321 -0.360 19586 12541 1 19 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.854 -2.103 19586 12542 1 19 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.720 -3.492 19586 12543 1 19 . 1 1 15 15 ALA H H 15 7.816 7.816 8.445 -0.629 19586 12544 1 19 . 1 1 16 16 PHE N N 16 118.874 118.874 119.687 -0.813 19586 12545 1 19 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.266 -1.171 19586 12546 1 19 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.611 -1.067 19586 12547 1 19 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.313 -2.539 19586 12548 1 19 . 1 1 16 16 PHE H H 16 8.764 8.764 8.769 -0.005 19586 12549 1 19 . 1 1 17 17 SER N N 17 111.578 111.578 114.592 -3.014 19586 12550 1 19 . 1 1 17 17 SER HA H 17 3.979 3.979 4.251 -0.272 19586 12551 1 19 . 1 1 17 17 SER CA C 17 58.567 58.567 61.320 -2.753 19586 12552 1 19 . 1 1 17 17 SER CB C 17 60.600 60.600 63.026 -2.426 19586 12553 1 19 . 1 1 17 17 SER H H 17 7.825 7.825 8.420 -0.595 19586 12554 1 19 . 1 1 18 18 LEU N N 18 121.167 121.167 121.149 0.018 19586 12555 1 19 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.021 -0.074 19586 12556 1 19 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.303 -2.695 19586 12557 1 19 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.370 -2.732 19586 12558 1 19 . 1 1 18 18 LEU H H 18 7.240 7.240 7.413 -0.173 19586 12559 1 19 . 1 1 19 19 PHE N N 19 114.405 114.405 115.173 -0.768 19586 12560 1 19 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.668 -0.757 19586 12561 1 19 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.574 -2.327 19586 12562 1 19 . 1 1 19 19 PHE CB C 19 33.810 33.810 40.259 -6.449 19586 12563 1 19 . 1 1 19 19 PHE H H 19 7.090 7.090 7.912 -0.822 19586 12564 1 19 . 1 1 20 20 ASP N N 20 115.823 115.823 119.574 -3.751 19586 12565 1 19 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.643 -0.167 19586 12566 1 19 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.462 -4.986 19586 12567 1 19 . 1 1 20 20 ASP CB C 20 36.782 36.782 38.825 -2.043 19586 12568 1 19 . 1 1 20 20 ASP H H 20 7.662 7.662 7.774 -0.112 19586 12569 1 19 . 1 1 21 21 LYS N N 21 124.906 124.906 122.380 2.526 19586 12570 1 19 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.133 -0.347 19586 12571 1 19 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.872 -1.847 19586 12572 1 19 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.319 -2.619 19586 12573 1 19 . 1 1 21 21 LYS H H 21 7.539 7.539 7.972 -0.433 19586 12574 1 19 . 1 1 22 22 ASP N N 22 113.550 113.550 118.577 -5.027 19586 12575 1 19 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.628 -0.197 19586 12576 1 19 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.314 -5.349 19586 12577 1 19 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.207 -4.433 19586 12578 1 19 . 1 1 22 22 ASP H H 22 7.965 7.965 7.903 0.062 19586 12579 1 19 . 1 1 23 23 GLY N N 23 109.354 109.354 106.837 2.517 19586 12580 1 19 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.186 -1.744 19586 12581 1 19 . 1 1 23 23 GLY H H 23 7.606 7.606 8.634 -1.028 19586 12582 1 19 . 1 1 24 24 ASP N N 24 120.643 120.643 120.620 0.023 19586 12583 1 19 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.716 -0.361 19586 12584 1 19 . 1 1 24 24 ASP CA C 24 51.040 51.040 54.463 -3.423 19586 12585 1 19 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.113 -3.427 19586 12586 1 19 . 1 1 24 24 ASP H H 24 8.266 8.266 8.460 -0.194 19586 12587 1 19 . 1 1 25 25 GLY N N 25 113.205 113.205 106.928 6.277 19586 12588 1 19 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.386 -2.703 19586 12589 1 19 . 1 1 25 25 GLY H H 25 10.545 10.545 8.559 1.986 19586 12590 1 19 . 1 1 26 26 THR N N 26 112.852 112.852 109.459 3.393 19586 12591 1 19 . 1 1 26 26 THR HA H 26 5.170 5.170 5.952 -0.782 19586 12592 1 19 . 1 1 26 26 THR CA C 26 56.954 56.954 59.846 -2.892 19586 12593 1 19 . 1 1 26 26 THR CB C 26 69.948 69.948 72.291 -2.343 19586 12594 1 19 . 1 1 26 26 THR H H 26 8.020 8.020 7.655 0.365 19586 12595 1 19 . 1 1 27 27 ILE N N 27 127.005 127.005 119.256 7.749 19586 12596 1 19 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.467 -0.640 19586 12597 1 19 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.113 -1.182 19586 12598 1 19 . 1 1 27 27 ILE CB C 27 37.230 37.230 40.212 -2.982 19586 12599 1 19 . 1 1 27 27 ILE H H 27 9.689 9.689 8.005 1.684 19586 12600 1 19 . 1 1 28 28 THR N N 28 116.439 116.439 117.227 -0.788 19586 12601 1 19 . 1 1 28 28 THR HA H 28 4.642 4.642 4.493 0.149 19586 12602 1 19 . 1 1 28 28 THR CA C 28 56.612 56.612 62.274 -5.662 19586 12603 1 19 . 1 1 28 28 THR CB C 28 69.606 69.606 69.602 0.004 19586 12604 1 19 . 1 1 28 28 THR H H 28 8.275 8.275 8.645 -0.370 19586 12605 1 19 . 1 1 29 29 THR N N 29 113.287 113.287 118.428 -5.141 19586 12606 1 19 . 1 1 29 29 THR HA H 29 3.635 3.635 4.109 -0.474 19586 12607 1 19 . 1 1 29 29 THR CA C 29 63.845 63.845 65.469 -1.624 19586 12608 1 19 . 1 1 29 29 THR CB C 29 65.616 65.616 68.780 -3.164 19586 12609 1 19 . 1 1 29 29 THR H H 29 9.054 9.054 8.653 0.401 19586 12610 1 19 . 1 1 30 30 LYS N N 30 121.230 121.230 119.394 1.836 19586 12611 1 19 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.124 -0.221 19586 12612 1 19 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.700 -2.235 19586 12613 1 19 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.068 -2.368 19586 12614 1 19 . 1 1 30 30 LYS H H 30 7.578 7.578 8.422 -0.844 19586 12615 1 19 . 1 1 31 31 GLU N N 31 122.002 122.002 119.449 2.553 19586 12616 1 19 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.140 -0.277 19586 12617 1 19 . 1 1 31 31 GLU CA C 31 57.149 57.149 59.045 -1.896 19586 12618 1 19 . 1 1 31 31 GLU CB C 31 26.058 26.058 29.719 -3.661 19586 12619 1 19 . 1 1 31 31 GLU H H 31 7.712 7.712 7.385 0.327 19586 12620 1 19 . 1 1 32 32 LEU N N 32 119.130 119.130 119.607 -0.477 19586 12621 1 19 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.186 -0.261 19586 12622 1 19 . 1 1 32 32 LEU CA C 32 55.529 55.529 57.152 -1.623 19586 12623 1 19 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.707 -1.726 19586 12624 1 19 . 1 1 32 32 LEU H H 32 8.509 8.509 7.524 0.985 19586 12625 1 19 . 1 1 33 33 GLY N N 33 103.747 103.747 105.388 -1.641 19586 12626 1 19 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.578 -0.914 19586 12627 1 19 . 1 1 33 33 GLY H H 33 8.388 8.388 7.820 0.568 19586 12628 1 19 . 1 1 34 34 THR N N 34 117.487 117.487 117.595 -0.108 19586 12629 1 19 . 1 1 34 34 THR HA H 34 3.795 3.795 4.269 -0.474 19586 12630 1 19 . 1 1 34 34 THR CA C 34 64.285 64.285 63.987 0.298 19586 12631 1 19 . 1 1 34 34 THR CB C 34 66.186 66.186 68.215 -2.029 19586 12632 1 19 . 1 1 34 34 THR H H 34 7.935 7.935 7.420 0.515 19586 12633 1 19 . 1 1 35 35 VAL N N 35 120.287 120.287 120.710 -0.423 19586 12634 1 19 . 1 1 35 35 VAL H H 35 7.089 7.089 7.252 -0.163 19586 12635 1 19 . 1 1 36 36 MET N N 36 117.816 117.816 116.558 1.258 19586 12636 1 19 . 1 1 36 36 MET HA H 36 3.911 3.911 4.243 -0.332 19586 12637 1 19 . 1 1 36 36 MET CA C 36 57.101 57.101 58.807 -1.706 19586 12638 1 19 . 1 1 36 36 MET CB C 36 29.929 29.929 32.853 -2.924 19586 12639 1 19 . 1 1 36 36 MET H H 36 8.318 8.318 7.800 0.518 19586 12640 1 19 . 1 1 37 37 ARG N N 37 117.706 117.706 118.800 -1.094 19586 12641 1 19 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.226 0.472 19586 12642 1 19 . 1 1 37 37 ARG CA C 37 56.172 56.172 56.789 -0.617 19586 12643 1 19 . 1 1 37 37 ARG CB C 37 27.084 27.084 28.060 -0.976 19586 12644 1 19 . 1 1 37 37 ARG H H 37 8.233 8.233 8.416 -0.183 19586 12645 1 19 . 1 1 38 38 SER N N 38 118.974 118.974 114.504 4.470 19586 12646 1 19 . 1 1 38 38 SER HA H 38 4.187 4.187 4.547 -0.360 19586 12647 1 19 . 1 1 38 38 SER CA C 38 59.251 59.251 59.430 -0.179 19586 12648 1 19 . 1 1 38 38 SER CB C 38 67.782 67.782 66.197 1.585 19586 12649 1 19 . 1 1 38 38 SER H H 38 7.874 7.874 8.614 -0.740 19586 12650 1 19 . 1 1 39 39 LEU N N 39 118.835 118.835 121.694 -2.859 19586 12651 1 19 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.546 -0.407 19586 12652 1 19 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.676 -3.343 19586 12653 1 19 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.289 -2.651 19586 12654 1 19 . 1 1 39 39 LEU H H 39 7.248 7.248 7.683 -0.435 19586 12655 1 19 . 1 1 40 40 GLY N N 40 104.990 104.990 105.696 -0.706 19586 12656 1 19 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.380 -2.502 19586 12657 1 19 . 1 1 40 40 GLY H H 40 7.471 7.471 8.274 -0.803 19586 12658 1 19 . 1 1 41 41 GLN N N 41 118.032 118.032 119.163 -1.131 19586 12659 1 19 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.636 -0.266 19586 12660 1 19 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.630 -3.443 19586 12661 1 19 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.049 -0.431 19586 12662 1 19 . 1 1 41 41 GLN H H 41 7.860 7.860 7.662 0.198 19586 12663 1 19 . 1 1 42 42 ASN N N 42 115.671 115.671 117.333 -1.662 19586 12664 1 19 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.121 -0.027 19586 12665 1 19 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.726 -2.032 19586 12666 1 19 . 1 1 42 42 ASN CB C 42 36.554 36.554 40.513 -3.959 19586 12667 1 19 . 1 1 42 42 ASN H H 42 8.561 8.561 8.524 0.037 19586 12668 1 19 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.617 0.094 19586 12669 1 19 . 1 1 44 44 THR N N 44 113.509 113.509 121.020 -7.511 19586 12670 1 19 . 1 1 44 44 THR HA H 44 4.321 4.321 4.324 -0.003 19586 12671 1 19 . 1 1 44 44 THR CA C 44 57.638 57.638 62.319 -4.681 19586 12672 1 19 . 1 1 44 44 THR CB C 44 68.466 68.466 67.872 0.594 19586 12673 1 19 . 1 1 44 44 THR H H 44 8.882 8.882 8.496 0.386 19586 12674 1 19 . 1 1 45 45 GLU N N 45 120.506 120.506 127.930 -7.424 19586 12675 1 19 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.988 -0.108 19586 12676 1 19 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.407 -2.306 19586 12677 1 19 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.611 -3.337 19586 12678 1 19 . 1 1 45 45 GLU H H 45 8.662 8.662 8.004 0.658 19586 12679 1 19 . 1 1 46 46 ALA N N 46 120.586 120.586 120.085 0.501 19586 12680 1 19 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.164 -0.239 19586 12681 1 19 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.154 -1.843 19586 12682 1 19 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.275 -3.195 19586 12683 1 19 . 1 1 46 46 ALA H H 46 8.139 8.139 8.378 -0.239 19586 12684 1 19 . 1 1 47 47 GLU N N 47 118.171 118.171 119.583 -1.412 19586 12685 1 19 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.189 -0.313 19586 12686 1 19 . 1 1 47 47 GLU CA C 47 56.270 56.270 59.023 -2.753 19586 12687 1 19 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.318 -3.032 19586 12688 1 19 . 1 1 47 47 GLU H H 47 7.597 7.597 8.252 -0.655 19586 12689 1 19 . 1 1 48 48 LEU N N 48 120.228 120.228 116.397 3.831 19586 12690 1 19 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.040 -0.113 19586 12691 1 19 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.785 -2.737 19586 12692 1 19 . 1 1 48 48 LEU CB C 48 39.981 39.981 39.870 0.111 19586 12693 1 19 . 1 1 48 48 LEU H H 48 7.848 7.848 7.559 0.289 19586 12694 1 19 . 1 1 49 49 GLN N N 49 117.910 117.910 119.708 -1.798 19586 12695 1 19 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.059 -0.158 19586 12696 1 19 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.885 -3.153 19586 12697 1 19 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.670 -0.788 19586 12698 1 19 . 1 1 49 49 GLN H H 49 8.037 8.037 8.272 -0.235 19586 12699 1 19 . 1 1 50 50 ASP N N 50 119.284 119.284 119.304 -0.020 19586 12700 1 19 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.465 -0.308 19586 12701 1 19 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.738 -2.032 19586 12702 1 19 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.807 -3.235 19586 12703 1 19 . 1 1 50 50 ASP H H 50 8.010 8.010 7.768 0.242 19586 12704 1 19 . 1 1 51 51 MET N N 51 119.245 119.245 116.970 2.275 19586 12705 1 19 . 1 1 51 51 MET HA H 51 3.923 3.923 4.543 -0.620 19586 12706 1 19 . 1 1 51 51 MET CA C 51 56.563 56.563 55.940 0.623 19586 12707 1 19 . 1 1 51 51 MET CB C 51 29.478 29.478 33.875 -4.397 19586 12708 1 19 . 1 1 51 51 MET H H 51 7.614 7.614 7.630 -0.016 19586 12709 1 19 . 1 1 52 52 ILE N N 52 117.584 117.584 121.183 -3.599 19586 12710 1 19 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.577 -0.249 19586 12711 1 19 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.438 -3.548 19586 12712 1 19 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.785 -3.291 19586 12713 1 19 . 1 1 52 52 ILE H H 52 7.514 7.514 8.900 -1.386 19586 12714 1 19 . 1 1 53 53 ASN N N 53 117.126 117.126 117.705 -0.579 19586 12715 1 19 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.493 -0.271 19586 12716 1 19 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.398 -3.305 19586 12717 1 19 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.486 -3.194 19586 12718 1 19 . 1 1 53 53 ASN H H 53 8.418 8.418 7.672 0.746 19586 12719 1 19 . 1 1 54 54 GLU N N 54 116.380 116.380 115.497 0.883 19586 12720 1 19 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.313 -0.410 19586 12721 1 19 . 1 1 54 54 GLU CA C 54 56.123 56.123 57.737 -1.614 19586 12722 1 19 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.201 -3.801 19586 12723 1 19 . 1 1 54 54 GLU H H 54 7.466 7.466 8.433 -0.967 19586 12724 1 19 . 1 1 55 55 VAL N N 55 108.622 108.622 111.500 -2.878 19586 12725 1 19 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.365 -0.051 19586 12726 1 19 . 1 1 55 55 VAL CA C 55 58.176 58.176 61.386 -3.209 19586 12727 1 19 . 1 1 55 55 VAL CB C 55 30.162 30.162 31.973 -1.811 19586 12728 1 19 . 1 1 55 55 VAL H H 55 7.044 7.044 7.684 -0.640 19586 12729 1 19 . 1 1 56 56 ASP N N 56 121.430 121.430 121.725 -0.295 19586 12730 1 19 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.720 -0.330 19586 12731 1 19 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.711 -1.720 19586 12732 1 19 . 1 1 56 56 ASP CB C 56 36.896 36.896 39.078 -2.182 19586 12733 1 19 . 1 1 56 56 ASP H H 56 7.561 7.561 8.214 -0.653 19586 12734 1 19 . 1 1 57 57 ALA N N 57 131.840 131.840 125.412 6.428 19586 12735 1 19 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.116 -0.063 19586 12736 1 19 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.742 -3.262 19586 12737 1 19 . 1 1 57 57 ALA CB C 57 16.793 16.793 18.946 -2.153 19586 12738 1 19 . 1 1 57 57 ALA H H 57 8.357 8.357 7.732 0.625 19586 12739 1 19 . 1 1 58 58 ASP N N 58 113.565 113.565 116.568 -3.003 19586 12740 1 19 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.706 -0.216 19586 12741 1 19 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.172 -3.256 19586 12742 1 19 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.288 -4.514 19586 12743 1 19 . 1 1 58 58 ASP H H 58 7.985 7.985 8.079 -0.094 19586 12744 1 19 . 1 1 59 59 GLY N N 59 108.187 108.187 109.767 -1.580 19586 12745 1 19 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.239 -1.748 19586 12746 1 19 . 1 1 59 59 GLY H H 59 7.424 7.424 7.774 -0.350 19586 12747 1 19 . 1 1 60 60 ASN N N 60 118.065 118.065 120.348 -2.283 19586 12748 1 19 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.611 -0.165 19586 12749 1 19 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.504 -3.735 19586 12750 1 19 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.924 -2.370 19586 12751 1 19 . 1 1 60 60 ASN H H 60 7.919 7.919 8.519 -0.600 19586 12752 1 19 . 1 1 61 61 GLY N N 61 113.247 113.247 108.179 5.068 19586 12753 1 19 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.416 -3.538 19586 12754 1 19 . 1 1 61 61 GLY H H 61 10.485 10.485 8.515 1.970 19586 12755 1 19 . 1 1 62 62 THR N N 62 108.699 108.699 113.047 -4.348 19586 12756 1 19 . 1 1 62 62 THR HA H 62 4.580 4.580 4.704 -0.124 19586 12757 1 19 . 1 1 62 62 THR CA C 62 56.661 56.661 60.307 -3.646 19586 12758 1 19 . 1 1 62 62 THR H H 62 7.511 7.511 7.721 -0.210 19586 12759 1 19 . 1 1 63 63 ILE N N 63 122.834 122.834 121.051 1.783 19586 12760 1 19 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.457 0.597 19586 12761 1 19 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.119 -2.018 19586 12762 1 19 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.243 -3.899 19586 12763 1 19 . 1 1 63 63 ILE H H 63 8.741 8.741 8.208 0.533 19586 12764 1 19 . 1 1 64 64 ASP N N 64 127.818 127.818 126.489 1.329 19586 12765 1 19 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.625 -0.387 19586 12766 1 19 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.742 -3.364 19586 12767 1 19 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.829 -7.047 19586 12768 1 19 . 1 1 64 64 ASP H H 64 8.702 8.702 8.612 0.090 19586 12769 1 19 . 1 1 65 65 PHE N N 65 118.653 118.653 118.698 -0.045 19586 12770 1 19 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.628 -0.767 19586 12771 1 19 . 1 1 65 65 PHE CA C 65 60.717 60.717 62.793 -2.076 19586 12772 1 19 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.703 -4.577 19586 12773 1 19 . 1 1 65 65 PHE H H 65 8.847 8.847 8.890 -0.043 19586 12774 1 19 . 1 1 67 67 GLU N N 67 117.631 117.631 115.669 1.962 19586 12775 1 19 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.350 -0.447 19586 12776 1 19 . 1 1 67 67 GLU CA C 67 56.337 56.337 55.951 0.386 19586 12777 1 19 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.648 -2.603 19586 12778 1 19 . 1 1 67 67 GLU H H 67 7.940 7.940 8.687 -0.747 19586 12779 1 19 . 1 1 68 68 PHE N N 68 123.289 123.289 121.897 1.392 19586 12780 1 19 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.186 -0.346 19586 12781 1 19 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.539 -2.812 19586 12782 1 19 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.352 -1.780 19586 12783 1 19 . 1 1 68 68 PHE H H 68 8.757 8.757 7.601 1.156 19586 12784 1 19 . 1 1 69 69 LEU N N 69 118.867 118.867 117.240 1.627 19586 12785 1 19 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.320 -1.075 19586 12786 1 19 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.502 -1.343 19586 12787 1 19 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.369 -3.113 19586 12788 1 19 . 1 1 69 69 LEU H H 69 8.403 8.403 8.674 -0.271 19586 12789 1 19 . 1 1 70 70 THR N N 70 116.302 116.302 111.725 4.577 19586 12790 1 19 . 1 1 70 70 THR HA H 70 3.624 3.624 4.032 -0.408 19586 12791 1 19 . 1 1 70 70 THR CA C 70 63.843 63.843 64.957 -1.114 19586 12792 1 19 . 1 1 70 70 THR CB C 70 65.502 65.502 68.874 -3.372 19586 12793 1 19 . 1 1 70 70 THR H H 70 7.540 7.540 7.437 0.103 19586 12794 1 19 . 1 1 71 71 MET N N 71 121.710 121.710 120.860 0.850 19586 12795 1 19 . 1 1 71 71 MET HA H 71 3.903 3.903 4.134 -0.231 19586 12796 1 19 . 1 1 71 71 MET CA C 71 56.303 56.303 59.025 -2.722 19586 12797 1 19 . 1 1 71 71 MET CB C 71 29.706 29.706 32.687 -2.981 19586 12798 1 19 . 1 1 71 71 MET H H 71 7.723 7.723 7.443 0.280 19586 12799 1 19 . 1 1 72 72 MET N N 72 116.535 116.535 117.454 -0.919 19586 12800 1 19 . 1 1 72 72 MET HA H 72 3.773 3.773 4.231 -0.458 19586 12801 1 19 . 1 1 72 72 MET CA C 72 53.307 53.307 57.336 -4.029 19586 12802 1 19 . 1 1 72 72 MET CB C 72 28.787 28.787 32.492 -3.705 19586 12803 1 19 . 1 1 72 72 MET H H 72 7.982 7.982 8.209 -0.227 19586 12804 1 19 . 1 1 73 73 ALA N N 73 121.584 121.584 123.894 -2.310 19586 12805 1 19 . 1 1 73 73 ALA HA H 73 3.880 3.880 3.997 -0.117 19586 12806 1 19 . 1 1 73 73 ALA CA C 73 52.095 52.095 55.086 -2.991 19586 12807 1 19 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.020 -2.678 19586 12808 1 19 . 1 1 73 73 ALA H H 73 8.074 8.074 7.375 0.699 19586 12809 1 19 . 1 1 74 74 ARG N N 74 115.784 115.784 116.758 -0.974 19586 12810 1 19 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.055 -0.152 19586 12811 1 19 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.371 -2.640 19586 12812 1 19 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.258 -2.271 19586 12813 1 19 . 1 1 74 74 ARG H H 74 7.358 7.358 7.869 -0.511 19586 12814 1 19 . 1 1 75 75 LYS N N 75 117.245 117.245 116.908 0.337 19586 12815 1 19 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.223 -0.274 19586 12816 1 19 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.032 -3.086 19586 12817 1 19 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.490 -6.090 19586 12818 1 19 . 1 1 75 75 LYS H H 75 7.640 7.640 7.856 -0.216 19586 12819 1 19 . 1 1 76 76 MET N N 76 117.971 117.971 120.496 -2.525 19586 12820 1 19 . 1 1 76 76 MET HA H 76 4.242 4.242 4.441 -0.199 19586 12821 1 19 . 1 1 76 76 MET CA C 76 53.947 53.947 54.354 -0.407 19586 12822 1 19 . 1 1 76 76 MET CB C 76 29.478 29.478 30.439 -0.961 19586 12823 1 19 . 1 1 76 76 MET H H 76 7.794 7.794 8.135 -0.341 19586 12824 1 19 . 1 1 77 77 LYS N N 77 119.902 119.902 123.379 -3.477 19586 12825 1 19 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.419 -0.267 19586 12826 1 19 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.420 -1.137 19586 12827 1 19 . 1 1 77 77 LYS CB C 77 29.478 29.478 31.986 -2.508 19586 12828 1 19 . 1 1 77 77 LYS H H 77 7.622 7.622 8.120 -0.498 19586 12829 1 19 . 1 1 78 78 ASP N N 78 119.146 119.146 117.773 1.373 19586 12830 1 19 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.259 -0.016 19586 12831 1 19 . 1 1 78 78 ASP CA C 78 52.061 52.061 57.226 -5.165 19586 12832 1 19 . 1 1 78 78 ASP H H 78 7.991 7.991 8.146 -0.155 19586 12833 1 19 . 1 1 79 79 THR N N 79 112.750 112.750 118.679 -5.929 19586 12834 1 19 . 1 1 79 79 THR HA H 79 4.170 4.170 4.382 -0.212 19586 12835 1 19 . 1 1 79 79 THR CA C 79 59.030 59.030 62.020 -2.990 19586 12836 1 19 . 1 1 79 79 THR CB C 79 67.668 67.668 68.424 -0.756 19586 12837 1 19 . 1 1 79 79 THR H H 79 7.587 7.587 8.053 -0.466 19586 12838 1 19 . 1 1 80 80 ASP N N 80 122.888 122.888 124.291 -1.403 19586 12839 1 19 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.869 -0.498 19586 12840 1 19 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.123 -3.273 19586 12841 1 19 . 1 1 80 80 ASP CB C 80 37.353 37.353 41.983 -4.630 19586 12842 1 19 . 1 1 80 80 ASP H H 80 8.354 8.354 7.781 0.573 19586 12843 1 19 . 1 1 81 81 SER N N 81 117.571 117.571 120.022 -2.451 19586 12844 1 19 . 1 1 81 81 SER HA H 81 4.115 4.115 4.365 -0.250 19586 12845 1 19 . 1 1 81 81 SER CA C 81 57.717 57.717 59.684 -1.966 19586 12846 1 19 . 1 1 81 81 SER CB C 81 60.884 60.884 63.782 -2.898 19586 12847 1 19 . 1 1 81 81 SER H H 81 8.232 8.232 8.535 -0.303 19586 12848 1 19 . 1 1 82 82 GLU N N 82 121.860 121.860 120.912 0.948 19586 12849 1 19 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.259 -0.376 19586 12850 1 19 . 1 1 82 82 GLU CA C 82 56.707 56.707 58.265 -1.558 19586 12851 1 19 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.587 0.005 19586 12852 1 19 . 1 1 82 82 GLU H H 82 8.364 8.364 8.599 -0.235 19586 12853 1 19 . 1 1 83 83 GLU N N 83 119.398 119.398 117.954 1.444 19586 12854 1 19 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.065 -0.182 19586 12855 1 19 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.746 -3.140 19586 12856 1 19 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.416 -0.052 19586 12857 1 19 . 1 1 83 83 GLU H H 83 8.032 8.032 8.894 -0.862 19586 12858 1 19 . 1 1 84 84 GLU N N 84 118.279 118.279 118.359 -0.080 19586 12859 1 19 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.188 -0.317 19586 12860 1 19 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.541 -1.935 19586 12861 1 19 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.122 -3.305 19586 12862 1 19 . 1 1 84 84 GLU H H 84 8.153 8.153 7.874 0.279 19586 12863 1 19 . 1 1 85 85 ILE N N 85 120.970 120.970 121.129 -0.159 19586 12864 1 19 . 1 1 85 85 ILE HA H 85 3.612 3.612 4.011 -0.399 19586 12865 1 19 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.376 -0.937 19586 12866 1 19 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.728 -4.120 19586 12867 1 19 . 1 1 85 85 ILE H H 85 7.927 7.927 7.478 0.449 19586 12868 1 19 . 1 1 86 86 ARG N N 86 121.766 121.766 119.345 2.421 19586 12869 1 19 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.232 -0.224 19586 12870 1 19 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.361 -1.846 19586 12871 1 19 . 1 1 86 86 ARG CB C 86 26.856 26.856 29.689 -2.833 19586 12872 1 19 . 1 1 86 86 ARG H H 86 8.233 8.233 8.753 -0.520 19586 12873 1 19 . 1 1 87 87 GLU N N 87 118.369 118.369 120.174 -1.805 19586 12874 1 19 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.228 -0.326 19586 12875 1 19 . 1 1 87 87 GLU CA C 87 56.606 56.606 58.010 -1.404 19586 12876 1 19 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.228 -3.411 19586 12877 1 19 . 1 1 87 87 GLU H H 87 8.156 8.156 8.058 0.098 19586 12878 1 19 . 1 1 88 88 ALA N N 88 120.337 120.337 120.144 0.193 19586 12879 1 19 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.484 -0.535 19586 12880 1 19 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.535 -0.272 19586 12881 1 19 . 1 1 88 88 ALA CB C 88 15.080 15.080 19.870 -4.790 19586 12882 1 19 . 1 1 88 88 ALA H H 88 7.877 7.877 7.564 0.313 19586 12883 1 19 . 1 1 89 89 PHE N N 89 118.191 118.191 121.276 -3.085 19586 12884 1 19 . 1 1 89 89 PHE HA H 89 3.115 3.115 3.733 -0.618 19586 12885 1 19 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.901 -2.197 19586 12886 1 19 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.618 -2.844 19586 12887 1 19 . 1 1 89 89 PHE H H 89 8.459 8.459 8.375 0.084 19586 12888 1 19 . 1 1 90 90 ARG N N 90 115.953 115.953 118.178 -2.225 19586 12889 1 19 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.110 -0.205 19586 12890 1 19 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.567 -2.399 19586 12891 1 19 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.884 -2.230 19586 12892 1 19 . 1 1 90 90 ARG H H 90 7.764 7.764 7.778 -0.014 19586 12893 1 19 . 1 1 91 91 VAL N N 91 118.202 118.202 118.980 -0.778 19586 12894 1 19 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.936 -0.651 19586 12895 1 19 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.760 -2.403 19586 12896 1 19 . 1 1 91 91 VAL CB C 91 28.444 28.444 32.010 -3.566 19586 12897 1 19 . 1 1 91 91 VAL H H 91 7.229 7.229 7.570 -0.341 19586 12898 1 19 . 1 1 92 92 PHE N N 92 112.447 112.447 117.599 -5.152 19586 12899 1 19 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.382 -0.437 19586 12900 1 19 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.866 -0.837 19586 12901 1 19 . 1 1 92 92 PHE CB C 92 38.838 38.838 39.899 -1.061 19586 12902 1 19 . 1 1 92 92 PHE H H 92 6.699 6.699 7.117 -0.418 19586 12903 1 19 . 1 1 93 93 ASP N N 93 116.461 116.461 117.933 -1.472 19586 12904 1 19 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.548 -0.072 19586 12905 1 19 . 1 1 93 93 ASP CA C 93 49.525 49.525 52.744 -3.219 19586 12906 1 19 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.932 -5.749 19586 12907 1 19 . 1 1 93 93 ASP H H 93 7.881 7.881 7.979 -0.098 19586 12908 1 19 . 1 1 94 94 LYS N N 94 125.494 125.494 125.065 0.429 19586 12909 1 19 . 1 1 94 94 LYS HA H 94 3.668 3.668 3.963 -0.295 19586 12910 1 19 . 1 1 94 94 LYS CA C 94 55.976 55.976 59.572 -3.596 19586 12911 1 19 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.512 -1.098 19586 12912 1 19 . 1 1 94 94 LYS H H 94 7.596 7.596 8.503 -0.907 19586 12913 1 19 . 1 1 95 95 ASP N N 95 114.015 114.015 116.856 -2.841 19586 12914 1 19 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.563 -0.148 19586 12915 1 19 . 1 1 95 95 ASP CA C 95 50.307 50.307 55.522 -5.215 19586 12916 1 19 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.227 -5.454 19586 12917 1 19 . 1 1 95 95 ASP H H 95 8.097 8.097 7.616 0.481 19586 12918 1 19 . 1 1 96 96 GLY N N 96 109.147 109.147 108.907 0.240 19586 12919 1 19 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.251 -0.907 19586 12920 1 19 . 1 1 96 96 GLY H H 96 7.677 7.677 8.650 -0.973 19586 12921 1 19 . 1 1 97 97 ASN N N 97 119.575 119.575 119.571 0.004 19586 12922 1 19 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.980 -0.480 19586 12923 1 19 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.566 -2.650 19586 12924 1 19 . 1 1 97 97 ASN CB C 97 35.183 35.183 39.411 -4.228 19586 12925 1 19 . 1 1 97 97 ASN H H 97 8.252 8.252 8.113 0.139 19586 12926 1 19 . 1 1 98 98 GLY N N 98 112.465 112.465 107.467 4.998 19586 12927 1 19 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.937 -3.645 19586 12928 1 19 . 1 1 98 98 GLY H H 98 10.462 10.462 8.831 1.631 19586 12929 1 19 . 1 1 99 99 TYR N N 99 116.256 116.256 119.075 -2.819 19586 12930 1 19 . 1 1 99 99 TYR HA H 99 4.882 4.882 5.010 -0.128 19586 12931 1 19 . 1 1 99 99 TYR CA C 99 53.582 53.582 55.849 -2.268 19586 12932 1 19 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.940 -1.959 19586 12933 1 19 . 1 1 99 99 TYR H H 99 7.557 7.557 7.673 -0.116 19586 12934 1 19 . 1 1 100 100 ILE N N 100 126.957 126.957 121.985 4.972 19586 12935 1 19 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.492 -0.035 19586 12936 1 19 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.670 -2.054 19586 12937 1 19 . 1 1 100 100 ILE CB C 100 36.432 36.432 38.897 -2.465 19586 12938 1 19 . 1 1 100 100 ILE H H 100 9.972 9.972 8.708 1.264 19586 12939 1 19 . 1 1 101 101 SER N N 101 123.739 123.739 123.279 0.460 19586 12940 1 19 . 1 1 101 101 SER HA H 101 4.711 4.711 4.365 0.346 19586 12941 1 19 . 1 1 101 101 SER CA C 101 52.897 52.897 58.228 -5.331 19586 12942 1 19 . 1 1 101 101 SER CB C 101 64.134 64.134 64.053 0.081 19586 12943 1 19 . 1 1 101 101 SER H H 101 8.844 8.844 8.994 -0.150 19586 12944 1 19 . 1 1 102 102 ALA N N 102 123.028 123.028 126.967 -3.939 19586 12945 1 19 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.115 -0.404 19586 12946 1 19 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.957 -1.864 19586 12947 1 19 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.877 -3.763 19586 12948 1 19 . 1 1 102 102 ALA H H 102 9.178 9.178 8.784 0.394 19586 12949 1 19 . 1 1 103 103 ALA N N 103 118.443 118.443 117.984 0.459 19586 12950 1 19 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.334 -0.473 19586 12951 1 19 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.985 -0.576 19586 12952 1 19 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.859 -2.403 19586 12953 1 19 . 1 1 103 103 ALA H H 103 8.132 8.132 8.250 -0.118 19586 12954 1 19 . 1 1 104 104 GLU N N 104 120.139 120.139 119.837 0.302 19586 12955 1 19 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.066 -0.227 19586 12956 1 19 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.280 -2.717 19586 12957 1 19 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.384 -2.984 19586 12958 1 19 . 1 1 104 104 GLU H H 104 7.786 7.786 7.506 0.280 19586 12959 1 19 . 1 1 105 105 LEU N N 105 121.545 121.545 119.067 2.478 19586 12960 1 19 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.825 0.077 19586 12961 1 19 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.589 -1.857 19586 12962 1 19 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.321 -1.112 19586 12963 1 19 . 1 1 105 105 LEU H H 105 8.240 8.240 7.737 0.503 19586 12964 1 19 . 1 1 106 106 ARG N N 106 118.625 118.625 118.570 0.055 19586 12965 1 19 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.922 -0.083 19586 12966 1 19 . 1 1 106 106 ARG CA C 106 57.345 57.345 58.962 -1.617 19586 12967 1 19 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.448 0.942 19586 12968 1 19 . 1 1 106 106 ARG H H 106 8.761 8.761 8.278 0.483 19586 12969 1 19 . 1 1 107 107 HIS N N 107 119.052 119.052 118.195 0.857 19586 12970 1 19 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.348 -0.446 19586 12971 1 19 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.455 -2.648 19586 12972 1 19 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.329 -3.131 19586 12973 1 19 . 1 1 107 107 HIS H H 107 7.946 7.946 7.233 0.713 19586 12974 1 19 . 1 1 108 108 VAL N N 108 119.160 119.160 120.503 -1.343 19586 12975 1 19 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.653 -0.211 19586 12976 1 19 . 1 1 108 108 VAL CA C 108 64.285 64.285 66.256 -1.971 19586 12977 1 19 . 1 1 108 108 VAL CB C 108 28.908 28.908 32.066 -3.158 19586 12978 1 19 . 1 1 108 108 VAL H H 108 7.736 7.736 8.643 -0.907 19586 12979 1 19 . 1 1 109 109 MET N N 109 115.333 115.333 116.912 -1.579 19586 12980 1 19 . 1 1 109 109 MET HA H 109 4.139 4.139 4.062 0.077 19586 12981 1 19 . 1 1 109 109 MET CA C 109 54.686 54.686 58.622 -3.936 19586 12982 1 19 . 1 1 109 109 MET CB C 109 29.706 29.706 31.585 -1.879 19586 12983 1 19 . 1 1 109 109 MET H H 109 8.074 8.074 8.536 -0.462 19586 12984 1 19 . 1 1 110 110 THR N N 110 116.714 116.714 114.031 2.683 19586 12985 1 19 . 1 1 110 110 THR HA H 110 3.935 3.935 4.081 -0.146 19586 12986 1 19 . 1 1 110 110 THR CA C 110 63.845 63.845 66.518 -2.673 19586 12987 1 19 . 1 1 110 110 THR CB C 110 66.072 66.072 68.570 -2.498 19586 12988 1 19 . 1 1 110 110 THR H H 110 8.515 8.515 7.696 0.819 19586 12989 1 19 . 1 1 111 111 ASN N N 111 123.784 123.784 119.499 4.285 19586 12990 1 19 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.555 -0.313 19586 12991 1 19 . 1 1 111 111 ASN CA C 111 53.093 53.093 54.726 -1.633 19586 12992 1 19 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.017 -2.725 19586 12993 1 19 . 1 1 111 111 ASN H H 111 7.890 7.890 7.548 0.342 19586 12994 1 19 . 1 1 112 112 LEU N N 112 118.227 118.227 116.554 1.673 19586 12995 1 19 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.295 -0.180 19586 12996 1 19 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.680 -2.027 19586 12997 1 19 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.086 -1.348 19586 12998 1 19 . 1 1 112 112 LEU H H 112 7.621 7.621 7.389 0.232 19586 12999 1 19 . 1 1 113 113 GLY N N 113 106.787 106.787 105.540 1.247 19586 13000 1 19 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.141 -2.605 19586 13001 1 19 . 1 1 113 113 GLY H H 113 7.701 7.701 7.480 0.221 19586 13002 1 19 . 1 1 114 114 GLU N N 114 120.288 120.288 119.099 1.189 19586 13003 1 19 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.498 -0.256 19586 13004 1 19 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.747 -1.680 19586 13005 1 19 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.174 -3.558 19586 13006 1 19 . 1 1 114 114 GLU H H 114 7.864 7.864 7.761 0.103 19586 13007 1 19 . 1 1 115 115 LYS N N 115 124.987 124.987 125.123 -0.136 19586 13008 1 19 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.147 0.076 19586 13009 1 19 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.858 -4.010 19586 13010 1 19 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.819 -0.862 19586 13011 1 19 . 1 1 115 115 LYS H H 115 8.491 8.491 8.449 0.042 19586 13012 1 19 . 1 1 116 116 LEU N N 116 124.912 124.912 121.560 3.352 19586 13013 1 19 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.680 0.032 19586 13014 1 19 . 1 1 116 116 LEU CA C 116 51.089 51.089 52.746 -1.657 19586 13015 1 19 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.848 -2.260 19586 13016 1 19 . 1 1 116 116 LEU H H 116 7.978 7.978 7.853 0.125 19586 13017 1 19 . 1 1 117 117 THR N N 117 114.220 114.220 113.181 1.039 19586 13018 1 19 . 1 1 117 117 THR HA H 117 4.302 4.302 4.453 -0.151 19586 13019 1 19 . 1 1 117 117 THR CA C 117 57.834 57.834 60.947 -3.113 19586 13020 1 19 . 1 1 117 117 THR CB C 117 68.580 68.580 70.229 -1.649 19586 13021 1 19 . 1 1 117 117 THR H H 117 9.093 9.093 8.237 0.856 19586 13022 1 19 . 1 1 118 118 ASP N N 118 120.925 120.925 121.547 -0.622 19586 13023 1 19 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.228 -0.170 19586 13024 1 19 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.025 -2.782 19586 13025 1 19 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.873 -3.870 19586 13026 1 19 . 1 1 118 118 ASP H H 118 8.764 8.764 8.662 0.102 19586 13027 1 19 . 1 1 119 119 GLU N N 119 119.395 119.395 117.908 1.487 19586 13028 1 19 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.989 -0.062 19586 13029 1 19 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.302 -2.153 19586 13030 1 19 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.789 -2.858 19586 13031 1 19 . 1 1 119 119 GLU H H 119 8.509 8.509 8.787 -0.278 19586 13032 1 19 . 1 1 120 120 GLU N N 120 119.909 119.909 118.796 1.113 19586 13033 1 19 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.142 -0.246 19586 13034 1 19 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.585 -2.266 19586 13035 1 19 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.653 -3.823 19586 13036 1 19 . 1 1 120 120 GLU H H 120 7.585 7.585 7.743 -0.158 19586 13037 1 19 . 1 1 121 121 VAL N N 121 122.092 122.092 116.849 5.243 19586 13038 1 19 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.924 -0.482 19586 13039 1 19 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.057 0.033 19586 13040 1 19 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.505 -2.825 19586 13041 1 19 . 1 1 121 121 VAL H H 121 7.849 7.849 7.227 0.622 19586 13042 1 19 . 1 1 122 122 ASP N N 122 120.167 120.167 121.036 -0.869 19586 13043 1 19 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.273 -0.116 19586 13044 1 19 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.359 -3.458 19586 13045 1 19 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.887 -3.315 19586 13046 1 19 . 1 1 122 122 ASP H H 122 7.912 7.912 8.645 -0.733 19586 13047 1 19 . 1 1 123 123 GLU N N 123 119.087 119.087 117.768 1.319 19586 13048 1 19 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.127 -0.231 19586 13049 1 19 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.775 -2.163 19586 13050 1 19 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.479 -3.307 19586 13051 1 19 . 1 1 123 123 GLU H H 123 7.839 7.839 7.707 0.132 19586 13052 1 19 . 1 1 124 124 MET N N 124 118.897 118.897 117.804 1.093 19586 13053 1 19 . 1 1 124 124 MET HA H 124 3.867 3.867 4.273 -0.406 19586 13054 1 19 . 1 1 124 124 MET CA C 124 56.905 56.905 59.099 -2.195 19586 13055 1 19 . 1 1 124 124 MET CB C 124 29.250 29.250 33.063 -3.813 19586 13056 1 19 . 1 1 124 124 MET H H 124 7.433 7.433 7.360 0.073 19586 13057 1 19 . 1 1 125 125 ILE N N 125 118.001 118.001 114.903 3.098 19586 13058 1 19 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.068 -0.688 19586 13059 1 19 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.610 -3.479 19586 13060 1 19 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.791 -4.551 19586 13061 1 19 . 1 1 125 125 ILE H H 125 7.658 7.658 8.400 -0.742 19586 13062 1 19 . 1 1 126 126 ARG N N 126 117.720 117.720 120.047 -2.327 19586 13063 1 19 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.064 -0.181 19586 13064 1 19 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.541 -2.869 19586 13065 1 19 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.158 -0.680 19586 13066 1 19 . 1 1 126 126 ARG H H 126 7.974 7.974 8.180 -0.206 19586 13067 1 19 . 1 1 127 127 GLU N N 127 117.050 117.050 115.757 1.293 19586 13068 1 19 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.235 -0.268 19586 13069 1 19 . 1 1 127 127 GLU CA C 127 56.319 56.319 57.701 -1.382 19586 13070 1 19 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.779 -3.493 19586 13071 1 19 . 1 1 127 127 GLU H H 127 7.635 7.635 7.706 -0.071 19586 13072 1 19 . 1 1 128 128 ALA N N 128 116.966 116.966 118.168 -1.202 19586 13073 1 19 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.451 0.049 19586 13074 1 19 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.136 -3.931 19586 13075 1 19 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.648 -0.543 19586 13076 1 19 . 1 1 128 128 ALA H H 128 7.155 7.155 7.196 -0.041 19586 13077 1 19 . 1 1 129 129 ASP N N 129 118.033 118.033 119.653 -1.620 19586 13078 1 19 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.937 -0.586 19586 13079 1 19 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.018 -1.196 19586 13080 1 19 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.490 -3.804 19586 13081 1 19 . 1 1 129 129 ASP H H 129 7.806 7.806 7.805 0.001 19586 13082 1 19 . 1 1 130 130 ILE N N 130 127.927 127.927 121.363 6.564 19586 13083 1 19 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.189 -0.392 19586 13084 1 19 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.651 -2.129 19586 13085 1 19 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.249 -2.159 19586 13086 1 19 . 1 1 130 130 ILE H H 130 8.115 8.115 8.454 -0.339 19586 13087 1 19 . 1 1 131 131 ASP N N 131 116.634 116.634 119.728 -3.094 19586 13088 1 19 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.669 -0.326 19586 13089 1 19 . 1 1 131 131 ASP CA C 131 51.187 51.187 54.063 -2.876 19586 13090 1 19 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.498 -4.030 19586 13091 1 19 . 1 1 131 131 ASP H H 131 8.202 8.202 7.957 0.245 19586 13092 1 19 . 1 1 132 132 GLY N N 132 108.586 108.586 109.038 -0.452 19586 13093 1 19 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.804 -1.166 19586 13094 1 19 . 1 1 132 132 GLY H H 132 7.535 7.535 7.718 -0.183 19586 13095 1 19 . 1 1 133 133 ASP N N 133 120.377 120.377 120.286 0.091 19586 13096 1 19 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.610 -0.259 19586 13097 1 19 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.632 -3.690 19586 13098 1 19 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.358 -3.900 19586 13099 1 19 . 1 1 133 133 ASP H H 133 8.215 8.215 8.910 -0.695 19586 13100 1 19 . 1 1 134 134 GLY N N 134 112.226 112.226 107.237 4.989 19586 13101 1 19 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.376 -2.254 19586 13102 1 19 . 1 1 134 134 GLY H H 134 9.971 9.971 8.511 1.460 19586 13103 1 19 . 1 1 135 135 GLN N N 135 115.229 115.229 117.252 -2.023 19586 13104 1 19 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.862 -0.731 19586 13105 1 19 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.560 -4.106 19586 13106 1 19 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.094 -3.480 19586 13107 1 19 . 1 1 135 135 GLN H H 135 7.835 7.835 7.659 0.176 19586 13108 1 19 . 1 1 136 136 VAL N N 136 125.238 125.238 122.603 2.635 19586 13109 1 19 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.462 0.634 19586 13110 1 19 . 1 1 136 136 VAL CA C 136 58.713 58.713 61.128 -2.415 19586 13111 1 19 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.822 -1.406 19586 13112 1 19 . 1 1 136 136 VAL H H 136 8.958 8.958 9.007 -0.049 19586 13113 1 19 . 1 1 137 137 ASN N N 137 129.058 129.058 126.148 2.910 19586 13114 1 19 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.876 0.350 19586 13115 1 19 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.372 -3.020 19586 13116 1 19 . 1 1 137 137 ASN CB C 137 35.640 35.640 38.799 -3.159 19586 13117 1 19 . 1 1 137 137 ASN H H 137 9.435 9.435 8.523 0.912 19586 13118 1 19 . 1 1 138 138 TYR N N 138 118.627 118.627 119.133 -0.506 19586 13119 1 19 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.048 -0.856 19586 13120 1 19 . 1 1 138 138 TYR CA C 138 59.669 59.669 63.291 -3.622 19586 13121 1 19 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.164 -0.592 19586 13122 1 19 . 1 1 138 138 TYR H H 138 8.146 8.146 7.960 0.186 19586 13123 1 19 . 1 1 139 139 GLU N N 139 118.701 118.701 118.871 -0.170 19586 13124 1 19 . 1 1 139 139 GLU HA H 139 3.511 3.511 3.962 -0.451 19586 13125 1 19 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.566 -2.026 19586 13126 1 19 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.327 -3.053 19586 13127 1 19 . 1 1 139 139 GLU H H 139 7.974 7.974 8.560 -0.586 19586 13128 1 19 . 1 1 140 140 GLU N N 140 119.774 119.774 119.024 0.750 19586 13129 1 19 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.203 -0.292 19586 13130 1 19 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.911 -2.886 19586 13131 1 19 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.724 -3.450 19586 13132 1 19 . 1 1 140 140 GLU H H 140 8.676 8.676 7.782 0.894 19586 13133 1 19 . 1 1 141 141 PHE N N 141 124.074 124.074 120.507 3.567 19586 13134 1 19 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.142 -0.495 19586 13135 1 19 . 1 1 141 141 PHE CA C 141 59.447 59.447 61.238 -1.791 19586 13136 1 19 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.994 -1.308 19586 13137 1 19 . 1 1 141 141 PHE H H 141 8.507 8.507 7.756 0.751 19586 13138 1 19 . 1 1 142 142 VAL N N 142 119.203 119.203 114.997 4.206 19586 13139 1 19 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.258 -0.300 19586 13140 1 19 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.221 -0.789 19586 13141 1 19 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.591 -1.683 19586 13142 1 19 . 1 1 142 142 VAL H H 142 8.639 8.639 7.338 1.301 19586 13143 1 19 . 1 1 143 143 GLN N N 143 120.173 120.173 120.120 0.053 19586 13144 1 19 . 1 1 143 143 GLN HA H 143 3.671 3.671 4.000 -0.329 19586 13145 1 19 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.586 -2.072 19586 13146 1 19 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.427 -3.181 19586 13147 1 19 . 1 1 143 143 GLN H H 143 7.818 7.818 7.524 0.294 19586 13148 1 19 . 1 1 144 144 MET N N 144 118.573 118.573 116.049 2.524 19586 13149 1 19 . 1 1 144 144 MET HA H 144 3.882 3.882 4.267 -0.385 19586 13150 1 19 . 1 1 144 144 MET CA C 144 55.683 55.683 57.679 -1.996 19586 13151 1 19 . 1 1 144 144 MET CB C 144 28.110 28.110 32.970 -4.860 19586 13152 1 19 . 1 1 144 144 MET H H 144 7.403 7.403 8.185 -0.782 19586 13153 1 19 . 1 1 145 145 MET N N 145 114.053 114.053 117.503 -3.450 19586 13154 1 19 . 1 1 145 145 MET HA H 145 3.940 3.940 4.222 -0.282 19586 13155 1 19 . 1 1 145 145 MET CA C 145 53.630 53.630 58.626 -4.995 19586 13156 1 19 . 1 1 145 145 MET CB C 145 29.592 29.592 32.442 -2.850 19586 13157 1 19 . 1 1 145 145 MET H H 145 7.534 7.534 7.211 0.323 19586 13158 1 19 . 1 1 146 146 THR N N 146 109.275 109.275 115.469 -6.194 19586 13159 1 19 . 1 1 146 146 THR HA H 146 4.175 4.175 4.026 0.149 19586 13160 1 19 . 1 1 146 146 THR CA C 146 59.251 59.251 64.053 -4.802 19586 13161 1 19 . 1 1 146 146 THR CB C 146 67.896 67.896 69.111 -1.215 19586 13162 1 19 . 1 1 146 146 THR H H 146 7.554 7.554 8.066 -0.512 19586 13163 1 19 . 1 1 147 147 ALA N N 147 126.913 126.913 121.059 5.854 19586 13164 1 19 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.659 -0.542 19586 13165 1 19 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.527 -0.220 19586 13166 1 19 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.389 -3.053 19586 13167 1 19 . 1 1 147 147 ALA H H 147 7.406 7.406 7.188 0.218 19586 13168 1 20 . 1 1 2 2 ASP N N 2 120.378 120.378 119.600 0.778 19586 13169 1 20 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.674 -0.089 19586 13170 1 20 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.235 -2.275 19586 13171 1 20 . 1 1 2 2 ASP H H 2 8.506 8.506 8.497 0.009 19586 13172 1 20 . 1 1 3 3 GLN N N 3 119.707 119.707 118.821 0.886 19586 13173 1 20 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.528 -0.316 19586 13174 1 20 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.356 -2.621 19586 13175 1 20 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.120 -0.046 19586 13176 1 20 . 1 1 3 3 GLN H H 3 8.208 8.208 7.930 0.278 19586 13177 1 20 . 1 1 4 4 LEU N N 4 123.069 123.069 119.453 3.616 19586 13178 1 20 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.882 -0.742 19586 13179 1 20 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.041 -3.383 19586 13180 1 20 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.411 -2.788 19586 13181 1 20 . 1 1 4 4 LEU H H 4 8.181 8.181 8.499 -0.318 19586 13182 1 20 . 1 1 5 5 THR N N 5 112.909 112.909 112.341 0.568 19586 13183 1 20 . 1 1 5 5 THR HA H 5 4.322 4.322 4.789 -0.467 19586 13184 1 20 . 1 1 5 5 THR CA C 5 57.687 57.687 62.899 -5.212 19586 13185 1 20 . 1 1 5 5 THR CB C 5 68.580 68.580 69.228 -0.648 19586 13186 1 20 . 1 1 5 5 THR H H 5 8.607 8.607 7.879 0.728 19586 13187 1 20 . 1 1 6 6 GLU N N 6 120.224 120.224 121.994 -1.770 19586 13188 1 20 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.238 -0.413 19586 13189 1 20 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.415 -2.168 19586 13190 1 20 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.314 -0.178 19586 13191 1 20 . 1 1 6 6 GLU H H 6 8.877 8.877 8.674 0.203 19586 13192 1 20 . 1 1 7 7 GLU N N 7 119.350 119.350 117.114 2.236 19586 13193 1 20 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.147 -0.230 19586 13194 1 20 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.164 -0.966 19586 13195 1 20 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.004 -2.730 19586 13196 1 20 . 1 1 7 7 GLU H H 7 8.524 8.524 8.704 -0.180 19586 13197 1 20 . 1 1 8 8 GLN N N 8 119.917 119.917 116.970 2.947 19586 13198 1 20 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.244 -0.341 19586 13199 1 20 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.932 -1.956 19586 13200 1 20 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.195 -2.795 19586 13201 1 20 . 1 1 8 8 GLN H H 8 7.603 7.603 7.555 0.048 19586 13202 1 20 . 1 1 9 9 ILE N N 9 119.503 119.503 115.861 3.642 19586 13203 1 20 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.326 -0.687 19586 13204 1 20 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.404 2.392 19586 13205 1 20 . 1 1 9 9 ILE CB C 9 35.178 35.178 39.327 -4.149 19586 13206 1 20 . 1 1 9 9 ILE H H 9 8.260 8.260 7.424 0.836 19586 13207 1 20 . 1 1 10 10 ALA N N 10 121.044 121.044 123.466 -2.422 19586 13208 1 20 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.335 -0.374 19586 13209 1 20 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.446 -1.744 19586 13210 1 20 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.480 -3.366 19586 13211 1 20 . 1 1 10 10 ALA H H 10 7.840 7.840 7.866 -0.026 19586 13212 1 20 . 1 1 11 11 GLU N N 11 119.113 119.113 118.294 0.819 19586 13213 1 20 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.144 -0.236 19586 13214 1 20 . 1 1 11 11 GLU CA C 11 56.563 56.563 58.388 -1.825 19586 13215 1 20 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.822 -3.422 19586 13216 1 20 . 1 1 11 11 GLU H H 11 7.635 7.635 7.926 -0.291 19586 13217 1 20 . 1 1 12 12 PHE N N 12 119.574 119.574 118.787 0.787 19586 13218 1 20 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.371 0.415 19586 13219 1 20 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.805 -4.851 19586 13220 1 20 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.320 -4.256 19586 13221 1 20 . 1 1 12 12 PHE H H 12 8.441 8.441 7.678 0.763 19586 13222 1 20 . 1 1 13 13 LYS N N 13 123.454 123.454 119.257 4.197 19586 13223 1 20 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.445 -0.542 19586 13224 1 20 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.531 -1.235 19586 13225 1 20 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.353 -2.761 19586 13226 1 20 . 1 1 13 13 LYS H H 13 9.103 9.103 8.270 0.833 19586 13227 1 20 . 1 1 14 14 GLU N N 14 119.525 119.525 117.887 1.638 19586 13228 1 20 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.388 -0.477 19586 13229 1 20 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.697 -1.232 19586 13230 1 20 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.060 -3.558 19586 13231 1 20 . 1 1 14 14 GLU H H 14 7.667 7.667 8.093 -0.426 19586 13232 1 20 . 1 1 15 15 ALA N N 15 121.983 121.983 122.508 -0.525 19586 13233 1 20 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.302 -0.341 19586 13234 1 20 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.851 -2.100 19586 13235 1 20 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.868 -3.640 19586 13236 1 20 . 1 1 15 15 ALA H H 15 7.816 7.816 8.162 -0.346 19586 13237 1 20 . 1 1 16 16 PHE N N 16 118.874 118.874 119.228 -0.354 19586 13238 1 20 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.136 -1.041 19586 13239 1 20 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.569 -1.025 19586 13240 1 20 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.232 -2.458 19586 13241 1 20 . 1 1 16 16 PHE H H 16 8.764 8.764 8.850 -0.086 19586 13242 1 20 . 1 1 17 17 SER N N 17 111.578 111.578 114.297 -2.719 19586 13243 1 20 . 1 1 17 17 SER HA H 17 3.979 3.979 4.243 -0.264 19586 13244 1 20 . 1 1 17 17 SER CA C 17 58.567 58.567 60.464 -1.897 19586 13245 1 20 . 1 1 17 17 SER CB C 17 60.600 60.600 62.579 -1.979 19586 13246 1 20 . 1 1 17 17 SER H H 17 7.825 7.825 8.603 -0.778 19586 13247 1 20 . 1 1 18 18 LEU N N 18 121.167 121.167 119.861 1.306 19586 13248 1 20 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.021 -0.074 19586 13249 1 20 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.145 -2.537 19586 13250 1 20 . 1 1 18 18 LEU CB C 18 39.638 39.638 41.904 -2.266 19586 13251 1 20 . 1 1 18 18 LEU H H 18 7.240 7.240 7.280 -0.040 19586 13252 1 20 . 1 1 19 19 PHE N N 19 114.405 114.405 116.394 -1.989 19586 13253 1 20 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.326 -0.415 19586 13254 1 20 . 1 1 19 19 PHE CA C 19 57.247 57.247 60.324 -3.077 19586 13255 1 20 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.588 -5.778 19586 13256 1 20 . 1 1 19 19 PHE H H 19 7.090 7.090 7.361 -0.271 19586 13257 1 20 . 1 1 20 20 ASP N N 20 115.823 115.823 120.055 -4.232 19586 13258 1 20 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.472 0.004 19586 13259 1 20 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.206 -4.729 19586 13260 1 20 . 1 1 20 20 ASP CB C 20 36.782 36.782 38.521 -1.739 19586 13261 1 20 . 1 1 20 20 ASP H H 20 7.662 7.662 8.089 -0.427 19586 13262 1 20 . 1 1 21 21 LYS N N 21 124.906 124.906 120.229 4.677 19586 13263 1 20 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.193 -0.407 19586 13264 1 20 . 1 1 21 21 LYS CA C 21 56.025 56.025 56.643 -0.618 19586 13265 1 20 . 1 1 21 21 LYS CB C 21 29.700 29.700 30.571 -0.871 19586 13266 1 20 . 1 1 21 21 LYS H H 21 7.539 7.539 8.127 -0.588 19586 13267 1 20 . 1 1 22 22 ASP N N 22 113.550 113.550 119.454 -5.904 19586 13268 1 20 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.669 -0.238 19586 13269 1 20 . 1 1 22 22 ASP CA C 22 49.965 49.965 54.559 -4.594 19586 13270 1 20 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.723 -4.949 19586 13271 1 20 . 1 1 22 22 ASP H H 22 7.965 7.965 7.638 0.328 19586 13272 1 20 . 1 1 23 23 GLY N N 23 109.354 109.354 107.744 1.610 19586 13273 1 20 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.048 -1.606 19586 13274 1 20 . 1 1 23 23 GLY H H 23 7.606 7.606 7.984 -0.378 19586 13275 1 20 . 1 1 24 24 ASP N N 24 120.643 120.643 119.916 0.727 19586 13276 1 20 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.842 -0.487 19586 13277 1 20 . 1 1 24 24 ASP CA C 24 51.040 51.040 52.962 -1.923 19586 13278 1 20 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.695 -4.009 19586 13279 1 20 . 1 1 24 24 ASP H H 24 8.266 8.266 8.357 -0.091 19586 13280 1 20 . 1 1 25 25 GLY N N 25 113.205 113.205 107.996 5.209 19586 13281 1 20 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.466 -2.783 19586 13282 1 20 . 1 1 25 25 GLY H H 25 10.545 10.545 8.727 1.818 19586 13283 1 20 . 1 1 26 26 THR N N 26 112.852 112.852 109.086 3.766 19586 13284 1 20 . 1 1 26 26 THR HA H 26 5.170 5.170 5.689 -0.519 19586 13285 1 20 . 1 1 26 26 THR CA C 26 56.954 56.954 59.566 -2.612 19586 13286 1 20 . 1 1 26 26 THR CB C 26 69.948 69.948 72.577 -2.629 19586 13287 1 20 . 1 1 26 26 THR H H 26 8.020 8.020 7.398 0.622 19586 13288 1 20 . 1 1 27 27 ILE N N 27 127.005 127.005 121.809 5.196 19586 13289 1 20 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.348 -0.521 19586 13290 1 20 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.236 -1.305 19586 13291 1 20 . 1 1 27 27 ILE CB C 27 37.230 37.230 39.914 -2.684 19586 13292 1 20 . 1 1 27 27 ILE H H 27 9.689 9.689 7.844 1.845 19586 13293 1 20 . 1 1 28 28 THR N N 28 116.439 116.439 117.523 -1.084 19586 13294 1 20 . 1 1 28 28 THR HA H 28 4.642 4.642 4.359 0.283 19586 13295 1 20 . 1 1 28 28 THR CA C 28 56.612 56.612 63.384 -6.772 19586 13296 1 20 . 1 1 28 28 THR CB C 28 69.606 69.606 69.325 0.281 19586 13297 1 20 . 1 1 28 28 THR H H 28 8.275 8.275 8.721 -0.446 19586 13298 1 20 . 1 1 29 29 THR N N 29 113.287 113.287 120.176 -6.889 19586 13299 1 20 . 1 1 29 29 THR HA H 29 3.635 3.635 4.131 -0.496 19586 13300 1 20 . 1 1 29 29 THR CA C 29 63.845 63.845 64.179 -0.334 19586 13301 1 20 . 1 1 29 29 THR CB C 29 65.616 65.616 68.784 -3.168 19586 13302 1 20 . 1 1 29 29 THR H H 29 9.054 9.054 8.634 0.420 19586 13303 1 20 . 1 1 30 30 LYS N N 30 121.230 121.230 119.151 2.079 19586 13304 1 20 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.264 -0.361 19586 13305 1 20 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.641 -2.175 19586 13306 1 20 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.514 -2.814 19586 13307 1 20 . 1 1 30 30 LYS H H 30 7.578 7.578 8.014 -0.436 19586 13308 1 20 . 1 1 31 31 GLU N N 31 122.002 122.002 119.115 2.887 19586 13309 1 20 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.261 -0.398 19586 13310 1 20 . 1 1 31 31 GLU CA C 31 57.149 57.149 58.211 -1.062 19586 13311 1 20 . 1 1 31 31 GLU CB C 31 26.058 26.058 28.909 -2.850 19586 13312 1 20 . 1 1 31 31 GLU H H 31 7.712 7.712 8.546 -0.834 19586 13313 1 20 . 1 1 32 32 LEU N N 32 119.130 119.130 119.381 -0.251 19586 13314 1 20 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.081 -0.156 19586 13315 1 20 . 1 1 32 32 LEU CA C 32 55.529 55.529 57.735 -2.206 19586 13316 1 20 . 1 1 32 32 LEU CB C 32 39.981 39.981 41.020 -1.039 19586 13317 1 20 . 1 1 32 32 LEU H H 32 8.509 8.509 7.601 0.908 19586 13318 1 20 . 1 1 33 33 GLY N N 33 103.747 103.747 104.295 -0.548 19586 13319 1 20 . 1 1 33 33 GLY CA C 33 45.664 45.664 46.037 -0.373 19586 13320 1 20 . 1 1 33 33 GLY H H 33 8.388 8.388 7.928 0.460 19586 13321 1 20 . 1 1 34 34 THR N N 34 117.487 117.487 117.916 -0.429 19586 13322 1 20 . 1 1 34 34 THR HA H 34 3.795 3.795 4.271 -0.476 19586 13323 1 20 . 1 1 34 34 THR CA C 34 64.285 64.285 63.157 1.129 19586 13324 1 20 . 1 1 34 34 THR CB C 34 66.186 66.186 68.291 -2.105 19586 13325 1 20 . 1 1 34 34 THR H H 34 7.935 7.935 8.179 -0.244 19586 13326 1 20 . 1 1 35 35 VAL N N 35 120.287 120.287 119.732 0.555 19586 13327 1 20 . 1 1 35 35 VAL H H 35 7.089 7.089 7.362 -0.273 19586 13328 1 20 . 1 1 36 36 MET N N 36 117.816 117.816 118.804 -0.988 19586 13329 1 20 . 1 1 36 36 MET HA H 36 3.911 3.911 4.175 -0.264 19586 13330 1 20 . 1 1 36 36 MET CA C 36 57.101 57.101 58.846 -1.744 19586 13331 1 20 . 1 1 36 36 MET CB C 36 29.929 29.929 32.123 -2.194 19586 13332 1 20 . 1 1 36 36 MET H H 36 8.318 8.318 8.030 0.288 19586 13333 1 20 . 1 1 37 37 ARG N N 37 117.706 117.706 118.244 -0.538 19586 13334 1 20 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.141 0.557 19586 13335 1 20 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.633 -2.461 19586 13336 1 20 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.551 -2.467 19586 13337 1 20 . 1 1 37 37 ARG H H 37 8.233 8.233 8.568 -0.335 19586 13338 1 20 . 1 1 38 38 SER N N 38 118.974 118.974 113.457 5.517 19586 13339 1 20 . 1 1 38 38 SER HA H 38 4.187 4.187 4.236 -0.049 19586 13340 1 20 . 1 1 38 38 SER CA C 38 59.251 59.251 60.077 -0.826 19586 13341 1 20 . 1 1 38 38 SER CB C 38 67.782 67.782 63.702 4.080 19586 13342 1 20 . 1 1 38 38 SER H H 38 7.874 7.874 7.510 0.364 19586 13343 1 20 . 1 1 39 39 LEU N N 39 118.835 118.835 120.051 -1.216 19586 13344 1 20 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.381 -0.242 19586 13345 1 20 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.615 -3.282 19586 13346 1 20 . 1 1 39 39 LEU CB C 39 39.638 39.638 41.782 -2.144 19586 13347 1 20 . 1 1 39 39 LEU H H 39 7.248 7.248 7.593 -0.345 19586 13348 1 20 . 1 1 40 40 GLY N N 40 104.990 104.990 107.713 -2.723 19586 13349 1 20 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.543 -2.665 19586 13350 1 20 . 1 1 40 40 GLY H H 40 7.471 7.471 7.533 -0.062 19586 13351 1 20 . 1 1 41 41 GLN N N 41 118.032 118.032 118.945 -0.913 19586 13352 1 20 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.624 -0.254 19586 13353 1 20 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.426 -3.240 19586 13354 1 20 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.319 -0.701 19586 13355 1 20 . 1 1 41 41 GLN H H 41 7.860 7.860 7.554 0.306 19586 13356 1 20 . 1 1 42 42 ASN N N 42 115.671 115.671 117.581 -1.910 19586 13357 1 20 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.036 0.058 19586 13358 1 20 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.922 -2.228 19586 13359 1 20 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.873 -3.319 19586 13360 1 20 . 1 1 42 42 ASN H H 42 8.561 8.561 8.443 0.118 19586 13361 1 20 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.880 -0.169 19586 13362 1 20 . 1 1 44 44 THR N N 44 113.509 113.509 116.978 -3.469 19586 13363 1 20 . 1 1 44 44 THR HA H 44 4.321 4.321 4.450 -0.129 19586 13364 1 20 . 1 1 44 44 THR CA C 44 57.638 57.638 61.301 -3.663 19586 13365 1 20 . 1 1 44 44 THR CB C 44 68.466 68.466 67.855 0.611 19586 13366 1 20 . 1 1 44 44 THR H H 44 8.882 8.882 8.494 0.388 19586 13367 1 20 . 1 1 45 45 GLU N N 45 120.506 120.506 127.970 -7.464 19586 13368 1 20 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.910 -0.030 19586 13369 1 20 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.992 -2.891 19586 13370 1 20 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.731 -3.457 19586 13371 1 20 . 1 1 45 45 GLU H H 45 8.662 8.662 8.225 0.437 19586 13372 1 20 . 1 1 46 46 ALA N N 46 120.586 120.586 121.390 -0.804 19586 13373 1 20 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.100 -0.175 19586 13374 1 20 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.566 -2.255 19586 13375 1 20 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.447 -3.367 19586 13376 1 20 . 1 1 46 46 ALA H H 46 8.139 8.139 8.586 -0.447 19586 13377 1 20 . 1 1 47 47 GLU N N 47 118.171 118.171 116.036 2.135 19586 13378 1 20 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.154 -0.278 19586 13379 1 20 . 1 1 47 47 GLU CA C 47 56.270 56.270 57.684 -1.414 19586 13380 1 20 . 1 1 47 47 GLU CB C 47 26.286 26.286 28.882 -2.596 19586 13381 1 20 . 1 1 47 47 GLU H H 47 7.597 7.597 8.438 -0.841 19586 13382 1 20 . 1 1 48 48 LEU N N 48 120.228 120.228 116.422 3.806 19586 13383 1 20 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.307 -0.380 19586 13384 1 20 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.508 -2.460 19586 13385 1 20 . 1 1 48 48 LEU CB C 48 39.981 39.981 42.584 -2.603 19586 13386 1 20 . 1 1 48 48 LEU H H 48 7.848 7.848 7.386 0.462 19586 13387 1 20 . 1 1 49 49 GLN N N 49 117.910 117.910 117.794 0.116 19586 13388 1 20 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.003 -0.102 19586 13389 1 20 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.618 -2.886 19586 13390 1 20 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.460 -0.578 19586 13391 1 20 . 1 1 49 49 GLN H H 49 8.037 8.037 8.154 -0.117 19586 13392 1 20 . 1 1 50 50 ASP N N 50 119.284 119.284 118.645 0.639 19586 13393 1 20 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.506 -0.349 19586 13394 1 20 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.591 -1.885 19586 13395 1 20 . 1 1 50 50 ASP CB C 50 37.572 37.572 41.036 -3.464 19586 13396 1 20 . 1 1 50 50 ASP H H 50 8.010 8.010 7.777 0.233 19586 13397 1 20 . 1 1 51 51 MET N N 51 119.245 119.245 118.198 1.047 19586 13398 1 20 . 1 1 51 51 MET HA H 51 3.923 3.923 4.355 -0.432 19586 13399 1 20 . 1 1 51 51 MET CA C 51 56.563 56.563 56.990 -0.427 19586 13400 1 20 . 1 1 51 51 MET CB C 51 29.478 29.478 33.539 -4.061 19586 13401 1 20 . 1 1 51 51 MET H H 51 7.614 7.614 7.664 -0.050 19586 13402 1 20 . 1 1 52 52 ILE N N 52 117.584 117.584 120.696 -3.112 19586 13403 1 20 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.599 -0.271 19586 13404 1 20 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.766 -3.876 19586 13405 1 20 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.567 -3.073 19586 13406 1 20 . 1 1 52 52 ILE H H 52 7.514 7.514 8.526 -1.012 19586 13407 1 20 . 1 1 53 53 ASN N N 53 117.126 117.126 117.302 -0.176 19586 13408 1 20 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.580 -0.358 19586 13409 1 20 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.523 -3.430 19586 13410 1 20 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.668 -3.376 19586 13411 1 20 . 1 1 53 53 ASN H H 53 8.418 8.418 7.965 0.453 19586 13412 1 20 . 1 1 54 54 GLU N N 54 116.380 116.380 116.972 -0.592 19586 13413 1 20 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.223 -0.320 19586 13414 1 20 . 1 1 54 54 GLU CA C 54 56.123 56.123 57.892 -1.769 19586 13415 1 20 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.232 -3.832 19586 13416 1 20 . 1 1 54 54 GLU H H 54 7.466 7.466 8.130 -0.664 19586 13417 1 20 . 1 1 55 55 VAL N N 55 108.622 108.622 114.761 -6.139 19586 13418 1 20 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.284 0.030 19586 13419 1 20 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.840 -4.664 19586 13420 1 20 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.902 -2.740 19586 13421 1 20 . 1 1 55 55 VAL H H 55 7.044 7.044 7.562 -0.518 19586 13422 1 20 . 1 1 56 56 ASP N N 56 121.430 121.430 121.170 0.260 19586 13423 1 20 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.558 -0.168 19586 13424 1 20 . 1 1 56 56 ASP CA C 56 50.991 50.991 53.078 -2.087 19586 13425 1 20 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.440 -1.544 19586 13426 1 20 . 1 1 56 56 ASP H H 56 7.561 7.561 8.724 -1.163 19586 13427 1 20 . 1 1 57 57 ALA N N 57 131.840 131.840 123.588 8.252 19586 13428 1 20 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.137 -0.084 19586 13429 1 20 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.189 -2.709 19586 13430 1 20 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.152 -2.359 19586 13431 1 20 . 1 1 57 57 ALA H H 57 8.357 8.357 8.264 0.093 19586 13432 1 20 . 1 1 58 58 ASP N N 58 113.565 113.565 117.486 -3.921 19586 13433 1 20 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.688 -0.198 19586 13434 1 20 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.298 -3.382 19586 13435 1 20 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.113 -4.339 19586 13436 1 20 . 1 1 58 58 ASP H H 58 7.985 7.985 8.231 -0.246 19586 13437 1 20 . 1 1 59 59 GLY N N 59 108.187 108.187 109.456 -1.269 19586 13438 1 20 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.210 -1.719 19586 13439 1 20 . 1 1 59 59 GLY H H 59 7.424 7.424 7.483 -0.059 19586 13440 1 20 . 1 1 60 60 ASN N N 60 118.065 118.065 121.182 -3.117 19586 13441 1 20 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.683 -0.237 19586 13442 1 20 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.535 -3.766 19586 13443 1 20 . 1 1 60 60 ASN CB C 60 36.554 36.554 39.003 -2.449 19586 13444 1 20 . 1 1 60 60 ASN H H 60 7.919 7.919 8.530 -0.611 19586 13445 1 20 . 1 1 61 61 GLY N N 61 113.247 113.247 108.534 4.713 19586 13446 1 20 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.438 -3.560 19586 13447 1 20 . 1 1 61 61 GLY H H 61 10.485 10.485 8.686 1.799 19586 13448 1 20 . 1 1 62 62 THR N N 62 108.699 108.699 112.300 -3.601 19586 13449 1 20 . 1 1 62 62 THR HA H 62 4.580 4.580 4.468 0.112 19586 13450 1 20 . 1 1 62 62 THR CA C 62 56.661 56.661 60.035 -3.374 19586 13451 1 20 . 1 1 62 62 THR H H 62 7.511 7.511 7.677 -0.166 19586 13452 1 20 . 1 1 63 63 ILE N N 63 122.834 122.834 120.328 2.506 19586 13453 1 20 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.544 0.510 19586 13454 1 20 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.243 -2.143 19586 13455 1 20 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.626 -4.282 19586 13456 1 20 . 1 1 63 63 ILE H H 63 8.741 8.741 8.259 0.482 19586 13457 1 20 . 1 1 64 64 ASP N N 64 127.818 127.818 125.703 2.115 19586 13458 1 20 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.182 0.056 19586 13459 1 20 . 1 1 64 64 ASP CA C 64 49.378 49.378 53.251 -3.873 19586 13460 1 20 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.366 -6.584 19586 13461 1 20 . 1 1 64 64 ASP H H 64 8.702 8.702 8.443 0.259 19586 13462 1 20 . 1 1 65 65 PHE N N 65 118.653 118.653 118.824 -0.171 19586 13463 1 20 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.206 -0.345 19586 13464 1 20 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.374 -2.657 19586 13465 1 20 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.282 -4.156 19586 13466 1 20 . 1 1 65 65 PHE H H 65 8.847 8.847 8.886 -0.039 19586 13467 1 20 . 1 1 67 67 GLU N N 67 117.631 117.631 117.331 0.300 19586 13468 1 20 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.179 -0.276 19586 13469 1 20 . 1 1 67 67 GLU CA C 67 56.337 56.337 58.621 -2.284 19586 13470 1 20 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.760 -2.715 19586 13471 1 20 . 1 1 67 67 GLU H H 67 7.940 7.940 8.851 -0.911 19586 13472 1 20 . 1 1 68 68 PHE N N 68 123.289 123.289 121.235 2.054 19586 13473 1 20 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.370 -0.530 19586 13474 1 20 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.100 -2.373 19586 13475 1 20 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.717 -2.145 19586 13476 1 20 . 1 1 68 68 PHE H H 68 8.757 8.757 7.692 1.065 19586 13477 1 20 . 1 1 69 69 LEU N N 69 118.867 118.867 117.468 1.399 19586 13478 1 20 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.182 -0.937 19586 13479 1 20 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.998 -1.840 19586 13480 1 20 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.588 -3.332 19586 13481 1 20 . 1 1 69 69 LEU H H 69 8.403 8.403 7.839 0.564 19586 13482 1 20 . 1 1 70 70 THR N N 70 116.302 116.302 113.526 2.776 19586 13483 1 20 . 1 1 70 70 THR HA H 70 3.624 3.624 4.107 -0.483 19586 13484 1 20 . 1 1 70 70 THR CA C 70 63.843 63.843 65.434 -1.591 19586 13485 1 20 . 1 1 70 70 THR CB C 70 65.502 65.502 68.714 -3.212 19586 13486 1 20 . 1 1 70 70 THR H H 70 7.540 7.540 7.615 -0.075 19586 13487 1 20 . 1 1 71 71 MET N N 71 121.710 121.710 120.013 1.697 19586 13488 1 20 . 1 1 71 71 MET HA H 71 3.903 3.903 4.319 -0.416 19586 13489 1 20 . 1 1 71 71 MET CA C 71 56.303 56.303 57.727 -1.423 19586 13490 1 20 . 1 1 71 71 MET CB C 71 29.706 29.706 31.265 -1.559 19586 13491 1 20 . 1 1 71 71 MET H H 71 7.723 7.723 7.255 0.468 19586 13492 1 20 . 1 1 72 72 MET N N 72 116.535 116.535 119.046 -2.511 19586 13493 1 20 . 1 1 72 72 MET HA H 72 3.773 3.773 4.277 -0.504 19586 13494 1 20 . 1 1 72 72 MET CA C 72 53.307 53.307 57.191 -3.884 19586 13495 1 20 . 1 1 72 72 MET CB C 72 28.787 28.787 32.621 -3.834 19586 13496 1 20 . 1 1 72 72 MET H H 72 7.982 7.982 7.644 0.338 19586 13497 1 20 . 1 1 73 73 ALA N N 73 121.584 121.584 123.374 -1.790 19586 13498 1 20 . 1 1 73 73 ALA HA H 73 3.880 3.880 3.995 -0.115 19586 13499 1 20 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.914 -2.819 19586 13500 1 20 . 1 1 73 73 ALA CB C 73 15.342 15.342 17.871 -2.529 19586 13501 1 20 . 1 1 73 73 ALA H H 73 8.074 8.074 7.629 0.445 19586 13502 1 20 . 1 1 74 74 ARG N N 74 115.784 115.784 116.564 -0.780 19586 13503 1 20 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.147 -0.244 19586 13504 1 20 . 1 1 74 74 ARG CA C 74 55.731 55.731 57.955 -2.224 19586 13505 1 20 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.247 -2.260 19586 13506 1 20 . 1 1 74 74 ARG H H 74 7.358 7.358 7.829 -0.471 19586 13507 1 20 . 1 1 75 75 LYS N N 75 117.245 117.245 118.227 -0.982 19586 13508 1 20 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.301 -0.352 19586 13509 1 20 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.952 -4.005 19586 13510 1 20 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.670 -6.270 19586 13511 1 20 . 1 1 75 75 LYS H H 75 7.640 7.640 7.776 -0.136 19586 13512 1 20 . 1 1 76 76 MET N N 76 117.971 117.971 116.693 1.278 19586 13513 1 20 . 1 1 76 76 MET HA H 76 4.242 4.242 4.618 -0.376 19586 13514 1 20 . 1 1 76 76 MET CA C 76 53.947 53.947 54.846 -0.899 19586 13515 1 20 . 1 1 76 76 MET CB C 76 29.478 29.478 30.836 -1.358 19586 13516 1 20 . 1 1 76 76 MET H H 76 7.794 7.794 7.875 -0.081 19586 13517 1 20 . 1 1 77 77 LYS N N 77 119.902 119.902 123.352 -3.450 19586 13518 1 20 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.385 -0.233 19586 13519 1 20 . 1 1 77 77 LYS CA C 77 54.283 54.283 56.140 -1.857 19586 13520 1 20 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.431 -0.953 19586 13521 1 20 . 1 1 77 77 LYS H H 77 7.622 7.622 7.687 -0.065 19586 13522 1 20 . 1 1 78 78 ASP N N 78 119.146 119.146 120.273 -1.127 19586 13523 1 20 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.359 -0.116 19586 13524 1 20 . 1 1 78 78 ASP CA C 78 52.061 52.061 54.954 -2.893 19586 13525 1 20 . 1 1 78 78 ASP H H 78 7.991 7.991 8.231 -0.240 19586 13526 1 20 . 1 1 79 79 THR N N 79 112.750 112.750 110.804 1.946 19586 13527 1 20 . 1 1 79 79 THR HA H 79 4.170 4.170 4.375 -0.205 19586 13528 1 20 . 1 1 79 79 THR CA C 79 59.030 59.030 62.019 -2.989 19586 13529 1 20 . 1 1 79 79 THR CB C 79 67.668 67.668 69.972 -2.304 19586 13530 1 20 . 1 1 79 79 THR H H 79 7.587 7.587 7.725 -0.138 19586 13531 1 20 . 1 1 80 80 ASP N N 80 122.888 122.888 123.386 -0.498 19586 13532 1 20 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.766 -0.395 19586 13533 1 20 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.341 -3.491 19586 13534 1 20 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.306 -4.953 19586 13535 1 20 . 1 1 80 80 ASP H H 80 8.354 8.354 8.588 -0.234 19586 13536 1 20 . 1 1 81 81 SER N N 81 117.571 117.571 116.314 1.257 19586 13537 1 20 . 1 1 81 81 SER HA H 81 4.115 4.115 4.289 -0.174 19586 13538 1 20 . 1 1 81 81 SER CA C 81 57.717 57.717 60.865 -3.148 19586 13539 1 20 . 1 1 81 81 SER CB C 81 60.884 60.884 63.891 -3.007 19586 13540 1 20 . 1 1 81 81 SER H H 81 8.232 8.232 8.560 -0.328 19586 13541 1 20 . 1 1 82 82 GLU N N 82 121.860 121.860 121.954 -0.094 19586 13542 1 20 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.096 -0.213 19586 13543 1 20 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.770 -3.063 19586 13544 1 20 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.231 0.361 19586 13545 1 20 . 1 1 82 82 GLU H H 82 8.364 8.364 8.800 -0.436 19586 13546 1 20 . 1 1 83 83 GLU N N 83 119.398 119.398 117.470 1.928 19586 13547 1 20 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.124 -0.241 19586 13548 1 20 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.322 -2.716 19586 13549 1 20 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.326 0.038 19586 13550 1 20 . 1 1 83 83 GLU H H 83 8.032 8.032 8.907 -0.875 19586 13551 1 20 . 1 1 84 84 GLU N N 84 118.279 118.279 119.004 -0.725 19586 13552 1 20 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.339 -0.468 19586 13553 1 20 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.276 -1.670 19586 13554 1 20 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.670 -3.853 19586 13555 1 20 . 1 1 84 84 GLU H H 84 8.153 8.153 7.748 0.405 19586 13556 1 20 . 1 1 85 85 ILE N N 85 120.970 120.970 120.289 0.681 19586 13557 1 20 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.971 -0.359 19586 13558 1 20 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.064 -0.625 19586 13559 1 20 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.451 -3.843 19586 13560 1 20 . 1 1 85 85 ILE H H 85 7.927 7.927 8.003 -0.076 19586 13561 1 20 . 1 1 86 86 ARG N N 86 121.766 121.766 118.916 2.850 19586 13562 1 20 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.210 -0.202 19586 13563 1 20 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.300 -1.785 19586 13564 1 20 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.246 -3.390 19586 13565 1 20 . 1 1 86 86 ARG H H 86 8.233 8.233 8.516 -0.283 19586 13566 1 20 . 1 1 87 87 GLU N N 87 118.369 118.369 116.995 1.374 19586 13567 1 20 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.247 -0.345 19586 13568 1 20 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.450 -0.845 19586 13569 1 20 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.427 -3.610 19586 13570 1 20 . 1 1 87 87 GLU H H 87 8.156 8.156 7.757 0.399 19586 13571 1 20 . 1 1 88 88 ALA N N 88 120.337 120.337 119.272 1.065 19586 13572 1 20 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.592 -0.643 19586 13573 1 20 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.594 -0.331 19586 13574 1 20 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.163 -5.083 19586 13575 1 20 . 1 1 88 88 ALA H H 88 7.877 7.877 7.539 0.338 19586 13576 1 20 . 1 1 89 89 PHE N N 89 118.191 118.191 119.880 -1.689 19586 13577 1 20 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.459 -1.344 19586 13578 1 20 . 1 1 89 89 PHE CA C 89 59.703 59.703 60.901 -1.198 19586 13579 1 20 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.843 -3.069 19586 13580 1 20 . 1 1 89 89 PHE H H 89 8.459 8.459 7.473 0.986 19586 13581 1 20 . 1 1 90 90 ARG N N 90 115.953 115.953 117.364 -1.411 19586 13582 1 20 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.794 -0.889 19586 13583 1 20 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.379 -2.211 19586 13584 1 20 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.783 -2.129 19586 13585 1 20 . 1 1 90 90 ARG H H 90 7.764 7.764 8.251 -0.487 19586 13586 1 20 . 1 1 91 91 VAL N N 91 118.202 118.202 117.273 0.929 19586 13587 1 20 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.867 -0.582 19586 13588 1 20 . 1 1 91 91 VAL CA C 91 63.357 63.357 65.091 -1.734 19586 13589 1 20 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.680 -3.236 19586 13590 1 20 . 1 1 91 91 VAL H H 91 7.229 7.229 7.902 -0.673 19586 13591 1 20 . 1 1 92 92 PHE N N 92 112.447 112.447 119.976 -7.529 19586 13592 1 20 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.386 -0.441 19586 13593 1 20 . 1 1 92 92 PHE CA C 92 58.029 58.029 59.790 -1.761 19586 13594 1 20 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.645 -1.807 19586 13595 1 20 . 1 1 92 92 PHE H H 92 6.699 6.699 7.657 -0.958 19586 13596 1 20 . 1 1 93 93 ASP N N 93 116.461 116.461 118.276 -1.815 19586 13597 1 20 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.640 -0.164 19586 13598 1 20 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.928 -4.404 19586 13599 1 20 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.443 -5.260 19586 13600 1 20 . 1 1 93 93 ASP H H 93 7.881 7.881 8.203 -0.322 19586 13601 1 20 . 1 1 94 94 LYS N N 94 125.494 125.494 123.231 2.263 19586 13602 1 20 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.089 -0.421 19586 13603 1 20 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.499 -2.523 19586 13604 1 20 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.299 -0.885 19586 13605 1 20 . 1 1 94 94 LYS H H 94 7.596 7.596 8.432 -0.836 19586 13606 1 20 . 1 1 95 95 ASP N N 95 114.015 114.015 118.032 -4.017 19586 13607 1 20 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.655 -0.240 19586 13608 1 20 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.961 -4.654 19586 13609 1 20 . 1 1 95 95 ASP CB C 95 36.774 36.774 41.967 -5.193 19586 13610 1 20 . 1 1 95 95 ASP H H 95 8.097 8.097 7.934 0.163 19586 13611 1 20 . 1 1 96 96 GLY N N 96 109.147 109.147 108.364 0.783 19586 13612 1 20 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.295 -0.951 19586 13613 1 20 . 1 1 96 96 GLY H H 96 7.677 7.677 8.684 -1.007 19586 13614 1 20 . 1 1 97 97 ASN N N 97 119.575 119.575 119.128 0.447 19586 13615 1 20 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.944 -0.444 19586 13616 1 20 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.933 -3.017 19586 13617 1 20 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.898 -3.715 19586 13618 1 20 . 1 1 97 97 ASN H H 97 8.252 8.252 8.281 -0.029 19586 13619 1 20 . 1 1 98 98 GLY N N 98 112.465 112.465 107.368 5.097 19586 13620 1 20 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.722 -3.430 19586 13621 1 20 . 1 1 98 98 GLY H H 98 10.462 10.462 8.694 1.768 19586 13622 1 20 . 1 1 99 99 TYR N N 99 116.256 116.256 118.940 -2.684 19586 13623 1 20 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.960 -0.078 19586 13624 1 20 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.111 -2.529 19586 13625 1 20 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.494 -1.513 19586 13626 1 20 . 1 1 99 99 TYR H H 99 7.557 7.557 7.631 -0.074 19586 13627 1 20 . 1 1 100 100 ILE N N 100 126.957 126.957 121.405 5.552 19586 13628 1 20 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.331 0.126 19586 13629 1 20 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.900 -2.284 19586 13630 1 20 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.809 -3.377 19586 13631 1 20 . 1 1 100 100 ILE H H 100 9.972 9.972 9.069 0.903 19586 13632 1 20 . 1 1 101 101 SER N N 101 123.739 123.739 122.621 1.118 19586 13633 1 20 . 1 1 101 101 SER HA H 101 4.711 4.711 4.399 0.312 19586 13634 1 20 . 1 1 101 101 SER CA C 101 52.897 52.897 58.831 -5.934 19586 13635 1 20 . 1 1 101 101 SER CB C 101 64.134 64.134 64.067 0.067 19586 13636 1 20 . 1 1 101 101 SER H H 101 8.844 8.844 8.794 0.050 19586 13637 1 20 . 1 1 102 102 ALA N N 102 123.028 123.028 127.357 -4.329 19586 13638 1 20 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.229 -0.518 19586 13639 1 20 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.913 -1.820 19586 13640 1 20 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.974 -3.860 19586 13641 1 20 . 1 1 102 102 ALA H H 102 9.178 9.178 8.805 0.373 19586 13642 1 20 . 1 1 103 103 ALA N N 103 118.443 118.443 118.281 0.162 19586 13643 1 20 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.404 -0.543 19586 13644 1 20 . 1 1 103 103 ALA CA C 103 52.409 52.409 53.056 -0.647 19586 13645 1 20 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.766 -2.310 19586 13646 1 20 . 1 1 103 103 ALA H H 103 8.132 8.132 8.262 -0.130 19586 13647 1 20 . 1 1 104 104 GLU N N 104 120.139 120.139 120.167 -0.028 19586 13648 1 20 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.109 -0.270 19586 13649 1 20 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.398 -2.835 19586 13650 1 20 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.577 -3.177 19586 13651 1 20 . 1 1 104 104 GLU H H 104 7.786 7.786 7.571 0.215 19586 13652 1 20 . 1 1 105 105 LEU N N 105 121.545 121.545 119.542 2.003 19586 13653 1 20 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.862 0.040 19586 13654 1 20 . 1 1 105 105 LEU CA C 105 55.732 55.732 58.135 -2.403 19586 13655 1 20 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.732 -1.523 19586 13656 1 20 . 1 1 105 105 LEU H H 105 8.240 8.240 8.053 0.187 19586 13657 1 20 . 1 1 106 106 ARG N N 106 118.625 118.625 118.238 0.387 19586 13658 1 20 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.958 -0.119 19586 13659 1 20 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.290 -1.945 19586 13660 1 20 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.271 1.119 19586 13661 1 20 . 1 1 106 106 ARG H H 106 8.761 8.761 8.399 0.362 19586 13662 1 20 . 1 1 107 107 HIS N N 107 119.052 119.052 119.866 -0.814 19586 13663 1 20 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.429 -0.527 19586 13664 1 20 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.462 -2.655 19586 13665 1 20 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.462 -3.264 19586 13666 1 20 . 1 1 107 107 HIS H H 107 7.946 7.946 7.409 0.537 19586 13667 1 20 . 1 1 108 108 VAL N N 108 119.160 119.160 120.358 -1.198 19586 13668 1 20 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.551 -0.109 19586 13669 1 20 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.987 -1.702 19586 13670 1 20 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.880 -2.972 19586 13671 1 20 . 1 1 108 108 VAL H H 108 7.736 7.736 8.370 -0.634 19586 13672 1 20 . 1 1 109 109 MET N N 109 115.333 115.333 117.514 -2.181 19586 13673 1 20 . 1 1 109 109 MET HA H 109 4.139 4.139 3.995 0.144 19586 13674 1 20 . 1 1 109 109 MET CA C 109 54.686 54.686 59.346 -4.660 19586 13675 1 20 . 1 1 109 109 MET CB C 109 29.706 29.706 32.218 -2.512 19586 13676 1 20 . 1 1 109 109 MET H H 109 8.074 8.074 8.819 -0.745 19586 13677 1 20 . 1 1 110 110 THR N N 110 116.714 116.714 114.635 2.079 19586 13678 1 20 . 1 1 110 110 THR HA H 110 3.935 3.935 4.138 -0.203 19586 13679 1 20 . 1 1 110 110 THR CA C 110 63.845 63.845 66.658 -2.813 19586 13680 1 20 . 1 1 110 110 THR CB C 110 66.072 66.072 68.605 -2.533 19586 13681 1 20 . 1 1 110 110 THR H H 110 8.515 8.515 7.824 0.691 19586 13682 1 20 . 1 1 111 111 ASN N N 111 123.784 123.784 119.394 4.390 19586 13683 1 20 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.533 -0.291 19586 13684 1 20 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.009 -1.916 19586 13685 1 20 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.437 -3.145 19586 13686 1 20 . 1 1 111 111 ASN H H 111 7.890 7.890 7.689 0.201 19586 13687 1 20 . 1 1 112 112 LEU N N 112 118.227 118.227 117.033 1.194 19586 13688 1 20 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.593 -0.478 19586 13689 1 20 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.530 -1.877 19586 13690 1 20 . 1 1 112 112 LEU CB C 112 39.738 39.738 40.967 -1.229 19586 13691 1 20 . 1 1 112 112 LEU H H 112 7.621 7.621 7.378 0.243 19586 13692 1 20 . 1 1 113 113 GLY N N 113 106.787 106.787 106.778 0.009 19586 13693 1 20 . 1 1 113 113 GLY CA C 113 42.536 42.536 45.134 -2.598 19586 13694 1 20 . 1 1 113 113 GLY H H 113 7.701 7.701 7.434 0.267 19586 13695 1 20 . 1 1 114 114 GLU N N 114 120.288 120.288 119.605 0.683 19586 13696 1 20 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.522 -0.280 19586 13697 1 20 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.831 -1.764 19586 13698 1 20 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.392 -3.776 19586 13699 1 20 . 1 1 114 114 GLU H H 114 7.864 7.864 8.177 -0.313 19586 13700 1 20 . 1 1 115 115 LYS N N 115 124.987 124.987 125.605 -0.618 19586 13701 1 20 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.118 0.105 19586 13702 1 20 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.837 -3.989 19586 13703 1 20 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.417 -0.460 19586 13704 1 20 . 1 1 115 115 LYS H H 115 8.491 8.491 8.518 -0.027 19586 13705 1 20 . 1 1 116 116 LEU N N 116 124.912 124.912 123.164 1.748 19586 13706 1 20 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.803 -0.091 19586 13707 1 20 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.495 -2.406 19586 13708 1 20 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.082 -1.494 19586 13709 1 20 . 1 1 116 116 LEU H H 116 7.978 7.978 7.904 0.074 19586 13710 1 20 . 1 1 117 117 THR N N 117 114.220 114.220 113.232 0.988 19586 13711 1 20 . 1 1 117 117 THR HA H 117 4.302 4.302 4.436 -0.134 19586 13712 1 20 . 1 1 117 117 THR CA C 117 57.834 57.834 59.527 -1.693 19586 13713 1 20 . 1 1 117 117 THR CB C 117 68.580 68.580 70.502 -1.922 19586 13714 1 20 . 1 1 117 117 THR H H 117 9.093 9.093 8.097 0.996 19586 13715 1 20 . 1 1 118 118 ASP N N 118 120.925 120.925 121.223 -0.298 19586 13716 1 20 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.303 -0.245 19586 13717 1 20 . 1 1 118 118 ASP CA C 118 55.243 55.243 57.784 -2.541 19586 13718 1 20 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.723 -3.721 19586 13719 1 20 . 1 1 118 118 ASP H H 118 8.764 8.764 8.671 0.093 19586 13720 1 20 . 1 1 119 119 GLU N N 119 119.395 119.395 118.308 1.087 19586 13721 1 20 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.001 -0.074 19586 13722 1 20 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.247 -2.098 19586 13723 1 20 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.956 -3.025 19586 13724 1 20 . 1 1 119 119 GLU H H 119 8.509 8.509 8.618 -0.109 19586 13725 1 20 . 1 1 120 120 GLU N N 120 119.909 119.909 118.520 1.389 19586 13726 1 20 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.180 -0.284 19586 13727 1 20 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.760 -2.441 19586 13728 1 20 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.623 -3.793 19586 13729 1 20 . 1 1 120 120 GLU H H 120 7.585 7.585 7.749 -0.164 19586 13730 1 20 . 1 1 121 121 VAL N N 121 122.092 122.092 117.522 4.570 19586 13731 1 20 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.894 -0.452 19586 13732 1 20 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.805 -0.715 19586 13733 1 20 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.414 -2.734 19586 13734 1 20 . 1 1 121 121 VAL H H 121 7.849 7.849 7.158 0.691 19586 13735 1 20 . 1 1 122 122 ASP N N 122 120.167 120.167 121.118 -0.951 19586 13736 1 20 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.292 -0.135 19586 13737 1 20 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.326 -3.425 19586 13738 1 20 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.928 -3.356 19586 13739 1 20 . 1 1 122 122 ASP H H 122 7.912 7.912 8.745 -0.833 19586 13740 1 20 . 1 1 123 123 GLU N N 123 119.087 119.087 117.811 1.276 19586 13741 1 20 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.128 -0.232 19586 13742 1 20 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.748 -2.136 19586 13743 1 20 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.438 -3.266 19586 13744 1 20 . 1 1 123 123 GLU H H 123 7.839 7.839 7.716 0.123 19586 13745 1 20 . 1 1 124 124 MET N N 124 118.897 118.897 118.107 0.790 19586 13746 1 20 . 1 1 124 124 MET HA H 124 3.867 3.867 4.287 -0.420 19586 13747 1 20 . 1 1 124 124 MET CA C 124 56.905 56.905 58.697 -1.792 19586 13748 1 20 . 1 1 124 124 MET CB C 124 29.250 29.250 33.215 -3.965 19586 13749 1 20 . 1 1 124 124 MET H H 124 7.433 7.433 7.379 0.054 19586 13750 1 20 . 1 1 125 125 ILE N N 125 118.001 118.001 114.025 3.976 19586 13751 1 20 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.177 -0.797 19586 13752 1 20 . 1 1 125 125 ILE CA C 125 60.131 60.131 62.976 -2.845 19586 13753 1 20 . 1 1 125 125 ILE CB C 125 33.240 33.240 38.173 -4.934 19586 13754 1 20 . 1 1 125 125 ILE H H 125 7.658 7.658 8.211 -0.553 19586 13755 1 20 . 1 1 126 126 ARG N N 126 117.720 117.720 119.977 -2.257 19586 13756 1 20 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.028 -0.145 19586 13757 1 20 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.623 -2.950 19586 13758 1 20 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.147 -0.669 19586 13759 1 20 . 1 1 126 126 ARG H H 126 7.974 7.974 8.276 -0.302 19586 13760 1 20 . 1 1 127 127 GLU N N 127 117.050 117.050 116.516 0.534 19586 13761 1 20 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.216 -0.249 19586 13762 1 20 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.169 -1.850 19586 13763 1 20 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.641 -3.355 19586 13764 1 20 . 1 1 127 127 GLU H H 127 7.635 7.635 7.654 -0.019 19586 13765 1 20 . 1 1 128 128 ALA N N 128 116.966 116.966 120.515 -3.549 19586 13766 1 20 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.300 0.200 19586 13767 1 20 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.447 -4.242 19586 13768 1 20 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.037 0.068 19586 13769 1 20 . 1 1 128 128 ALA H H 128 7.155 7.155 7.368 -0.213 19586 13770 1 20 . 1 1 129 129 ASP N N 129 118.033 118.033 119.243 -1.210 19586 13771 1 20 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.842 -0.491 19586 13772 1 20 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.356 -1.534 19586 13773 1 20 . 1 1 129 129 ASP CB C 129 37.686 37.686 42.092 -4.406 19586 13774 1 20 . 1 1 129 129 ASP H H 129 7.806 7.806 7.502 0.304 19586 13775 1 20 . 1 1 130 130 ILE N N 130 127.927 127.927 121.163 6.764 19586 13776 1 20 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.141 -0.344 19586 13777 1 20 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.936 -2.414 19586 13778 1 20 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.286 -2.196 19586 13779 1 20 . 1 1 130 130 ILE H H 130 8.115 8.115 8.342 -0.227 19586 13780 1 20 . 1 1 131 131 ASP N N 131 116.634 116.634 119.645 -3.011 19586 13781 1 20 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.677 -0.334 19586 13782 1 20 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.898 -2.711 19586 13783 1 20 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.428 -3.959 19586 13784 1 20 . 1 1 131 131 ASP H H 131 8.202 8.202 7.990 0.212 19586 13785 1 20 . 1 1 132 132 GLY N N 132 108.586 108.586 109.300 -0.714 19586 13786 1 20 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.951 -1.313 19586 13787 1 20 . 1 1 132 132 GLY H H 132 7.535 7.535 7.459 0.076 19586 13788 1 20 . 1 1 133 133 ASP N N 133 120.377 120.377 120.251 0.126 19586 13789 1 20 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.591 -0.240 19586 13790 1 20 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.619 -3.677 19586 13791 1 20 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.301 -3.843 19586 13792 1 20 . 1 1 133 133 ASP H H 133 8.215 8.215 8.806 -0.591 19586 13793 1 20 . 1 1 134 134 GLY N N 134 112.226 112.226 107.350 4.876 19586 13794 1 20 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.318 -2.196 19586 13795 1 20 . 1 1 134 134 GLY H H 134 9.971 9.971 8.495 1.476 19586 13796 1 20 . 1 1 135 135 GLN N N 135 115.229 115.229 117.012 -1.783 19586 13797 1 20 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.950 -0.819 19586 13798 1 20 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.579 -4.125 19586 13799 1 20 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.135 -3.521 19586 13800 1 20 . 1 1 135 135 GLN H H 135 7.835 7.835 7.585 0.250 19586 13801 1 20 . 1 1 136 136 VAL N N 136 125.238 125.238 122.448 2.790 19586 13802 1 20 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.429 0.667 19586 13803 1 20 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.786 -2.073 19586 13804 1 20 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.587 -1.171 19586 13805 1 20 . 1 1 136 136 VAL H H 136 8.958 8.958 9.050 -0.092 19586 13806 1 20 . 1 1 137 137 ASN N N 137 129.058 129.058 126.112 2.946 19586 13807 1 20 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.878 0.348 19586 13808 1 20 . 1 1 137 137 ASN CA C 137 48.352 48.352 51.971 -3.619 19586 13809 1 20 . 1 1 137 137 ASN CB C 137 35.640 35.640 38.987 -3.347 19586 13810 1 20 . 1 1 137 137 ASN H H 137 9.435 9.435 8.585 0.850 19586 13811 1 20 . 1 1 138 138 TYR N N 138 118.627 118.627 117.581 1.046 19586 13812 1 20 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.571 -1.379 19586 13813 1 20 . 1 1 138 138 TYR CA C 138 59.669 59.669 60.955 -1.286 19586 13814 1 20 . 1 1 138 138 TYR CB C 138 37.572 37.572 37.859 -0.287 19586 13815 1 20 . 1 1 138 138 TYR H H 138 8.146 8.146 7.705 0.441 19586 13816 1 20 . 1 1 139 139 GLU N N 139 118.701 118.701 119.192 -0.491 19586 13817 1 20 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.056 -0.545 19586 13818 1 20 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.049 -1.509 19586 13819 1 20 . 1 1 139 139 GLU CB C 139 26.274 26.274 29.020 -2.746 19586 13820 1 20 . 1 1 139 139 GLU H H 139 7.974 7.974 7.601 0.373 19586 13821 1 20 . 1 1 140 140 GLU N N 140 119.774 119.774 118.996 0.778 19586 13822 1 20 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.146 -0.235 19586 13823 1 20 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.550 -2.525 19586 13824 1 20 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.704 -3.430 19586 13825 1 20 . 1 1 140 140 GLU H H 140 8.676 8.676 7.737 0.939 19586 13826 1 20 . 1 1 141 141 PHE N N 141 124.074 124.074 120.388 3.686 19586 13827 1 20 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.073 -0.426 19586 13828 1 20 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.810 -1.363 19586 13829 1 20 . 1 1 141 141 PHE CB C 141 37.686 37.686 38.900 -1.214 19586 13830 1 20 . 1 1 141 141 PHE H H 141 8.507 8.507 7.587 0.920 19586 13831 1 20 . 1 1 142 142 VAL N N 142 119.203 119.203 115.865 3.338 19586 13832 1 20 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.140 -0.182 19586 13833 1 20 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.444 -1.012 19586 13834 1 20 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.497 -1.589 19586 13835 1 20 . 1 1 142 142 VAL H H 142 8.639 8.639 7.323 1.316 19586 13836 1 20 . 1 1 143 143 GLN N N 143 120.173 120.173 119.913 0.260 19586 13837 1 20 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.976 -0.305 19586 13838 1 20 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.762 -2.248 19586 13839 1 20 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.568 -3.322 19586 13840 1 20 . 1 1 143 143 GLN H H 143 7.818 7.818 7.493 0.325 19586 13841 1 20 . 1 1 144 144 MET N N 144 118.573 118.573 115.912 2.661 19586 13842 1 20 . 1 1 144 144 MET HA H 144 3.882 3.882 4.298 -0.416 19586 13843 1 20 . 1 1 144 144 MET CA C 144 55.683 55.683 56.794 -1.111 19586 13844 1 20 . 1 1 144 144 MET CB C 144 28.110 28.110 32.799 -4.689 19586 13845 1 20 . 1 1 144 144 MET H H 144 7.403 7.403 7.626 -0.223 19586 13846 1 20 . 1 1 145 145 MET N N 145 114.053 114.053 117.765 -3.712 19586 13847 1 20 . 1 1 145 145 MET HA H 145 3.940 3.940 4.315 -0.375 19586 13848 1 20 . 1 1 145 145 MET CA C 145 53.630 53.630 56.768 -3.138 19586 13849 1 20 . 1 1 145 145 MET CB C 145 29.592 29.592 31.651 -2.059 19586 13850 1 20 . 1 1 145 145 MET H H 145 7.534 7.534 6.979 0.555 19586 13851 1 20 . 1 1 146 146 THR N N 146 109.275 109.275 114.890 -5.615 19586 13852 1 20 . 1 1 146 146 THR HA H 146 4.175 4.175 4.102 0.073 19586 13853 1 20 . 1 1 146 146 THR CA C 146 59.251 59.251 64.437 -5.186 19586 13854 1 20 . 1 1 146 146 THR CB C 146 67.896 67.896 69.085 -1.189 19586 13855 1 20 . 1 1 146 146 THR H H 146 7.554 7.554 7.886 -0.332 19586 13856 1 20 . 1 1 147 147 ALA N N 147 126.913 126.913 122.797 4.116 19586 13857 1 20 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.545 -0.428 19586 13858 1 20 . 1 1 147 147 ALA CA C 147 50.307 50.307 50.965 -0.658 19586 13859 1 20 . 1 1 147 147 ALA CB C 147 16.336 16.336 20.265 -3.929 19586 13860 1 20 . 1 1 147 147 ALA H H 147 7.406 7.406 7.469 -0.063 19586 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 144 2.727 -0.257 2.725 19586 2 1 1 "Average Difference" HA 155 0.390 0.228 0.318 19586 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19586 4 1 1 "Average Difference" CA 143 2.657 2.355 1.234 19586 5 1 1 "Average Difference" CB 129 3.073 2.690 1.491 19586 6 1 1 "Average Difference" HN 144 0.629 -0.112 0.621 19586 7 1 2 "Average Difference" N 144 2.874 -0.395 2.857 19586 8 1 2 "Average Difference" HA 155 0.372 0.209 0.308 19586 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19586 10 1 2 "Average Difference" CA 143 2.700 2.340 1.353 19586 11 1 2 "Average Difference" CB 129 3.088 2.680 1.540 19586 12 1 2 "Average Difference" HN 144 0.591 -0.091 0.587 19586 13 1 3 "Average Difference" N 144 3.040 -0.362 3.029 19586 14 1 3 "Average Difference" HA 155 0.400 0.226 0.330 19586 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19586 16 1 3 "Average Difference" CA 143 2.630 2.280 1.314 19586 17 1 3 "Average Difference" CB 129 3.131 2.710 1.575 19586 18 1 3 "Average Difference" HN 144 0.594 -0.071 0.592 19586 19 1 4 "Average Difference" N 144 2.908 -0.255 2.907 19586 20 1 4 "Average Difference" HA 155 0.385 0.220 0.317 19586 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19586 22 1 4 "Average Difference" CA 143 2.670 2.354 1.264 19586 23 1 4 "Average Difference" CB 129 3.124 2.654 1.654 19586 24 1 4 "Average Difference" HN 144 0.586 -0.075 0.584 19586 25 1 5 "Average Difference" N 144 2.912 -0.298 2.906 19586 26 1 5 "Average Difference" HA 155 0.395 0.223 0.327 19586 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19586 28 1 5 "Average Difference" CA 143 2.736 2.354 1.400 19586 29 1 5 "Average Difference" CB 129 3.135 2.679 1.635 19586 30 1 5 "Average Difference" HN 144 0.624 -0.074 0.622 19586 31 1 6 "Average Difference" N 144 3.061 -0.313 3.055 19586 32 1 6 "Average Difference" HA 155 0.405 0.223 0.339 19586 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19586 34 1 6 "Average Difference" CA 143 2.713 2.365 1.334 19586 35 1 6 "Average Difference" CB 129 3.145 2.709 1.604 19586 36 1 6 "Average Difference" HN 144 0.625 -0.086 0.621 19586 37 1 7 "Average Difference" N 144 2.786 -0.262 2.784 19586 38 1 7 "Average Difference" HA 155 0.393 0.222 0.325 19586 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19586 40 1 7 "Average Difference" CA 143 2.689 2.360 1.293 19586 41 1 7 "Average Difference" CB 129 3.093 2.686 1.540 19586 42 1 7 "Average Difference" HN 144 0.628 -0.069 0.626 19586 43 1 8 "Average Difference" N 144 2.892 -0.375 2.877 19586 44 1 8 "Average Difference" HA 155 0.402 0.229 0.331 19586 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19586 46 1 8 "Average Difference" CA 143 2.638 2.311 1.277 19586 47 1 8 "Average Difference" CB 129 3.092 2.679 1.551 19586 48 1 8 "Average Difference" HN 144 0.615 -0.060 0.614 19586 49 1 9 "Average Difference" N 144 3.015 -0.380 3.001 19586 50 1 9 "Average Difference" HA 155 0.400 0.221 0.334 19586 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19586 52 1 9 "Average Difference" CA 143 2.784 2.407 1.403 19586 53 1 9 "Average Difference" CB 129 3.158 2.707 1.633 19586 54 1 9 "Average Difference" HN 144 0.659 -0.045 0.660 19586 55 1 10 "Average Difference" N 144 2.857 -0.409 2.838 19586 56 1 10 "Average Difference" HA 155 0.388 0.224 0.317 19586 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19586 58 1 10 "Average Difference" CA 143 2.714 2.382 1.305 19586 59 1 10 "Average Difference" CB 129 3.070 2.656 1.547 19586 60 1 10 "Average Difference" HN 144 0.624 -0.072 0.622 19586 61 1 11 "Average Difference" N 144 3.115 -0.316 3.109 19586 62 1 11 "Average Difference" HA 155 0.408 0.228 0.339 19586 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19586 64 1 11 "Average Difference" CA 143 2.683 2.337 1.324 19586 65 1 11 "Average Difference" CB 129 3.089 2.684 1.535 19586 66 1 11 "Average Difference" HN 144 0.611 -0.066 0.610 19586 67 1 12 "Average Difference" N 144 3.106 -0.277 3.104 19586 68 1 12 "Average Difference" HA 155 0.405 0.216 0.344 19586 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19586 70 1 12 "Average Difference" CA 143 2.691 2.343 1.328 19586 71 1 12 "Average Difference" CB 129 3.107 2.671 1.595 19586 72 1 12 "Average Difference" HN 144 0.616 -0.078 0.613 19586 73 1 13 "Average Difference" N 144 2.890 -0.370 2.876 19586 74 1 13 "Average Difference" HA 155 0.387 0.221 0.318 19586 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19586 76 1 13 "Average Difference" CA 143 2.668 2.352 1.265 19586 77 1 13 "Average Difference" CB 129 3.087 2.690 1.521 19586 78 1 13 "Average Difference" HN 144 0.618 -0.085 0.614 19586 79 1 14 "Average Difference" N 144 2.867 -0.334 2.857 19586 80 1 14 "Average Difference" HA 155 0.386 0.220 0.317 19586 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19586 82 1 14 "Average Difference" CA 143 2.692 2.362 1.298 19586 83 1 14 "Average Difference" CB 129 3.079 2.656 1.564 19586 84 1 14 "Average Difference" HN 144 0.602 -0.090 0.597 19586 85 1 15 "Average Difference" N 144 3.083 -0.415 3.065 19586 86 1 15 "Average Difference" HA 155 0.421 0.227 0.356 19586 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19586 88 1 15 "Average Difference" CA 143 2.610 2.217 1.383 19586 89 1 15 "Average Difference" CB 129 3.159 2.699 1.649 19586 90 1 15 "Average Difference" HN 144 0.696 -0.118 0.688 19586 91 1 16 "Average Difference" N 144 2.985 -0.532 2.948 19586 92 1 16 "Average Difference" HA 155 0.391 0.223 0.322 19586 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19586 94 1 16 "Average Difference" CA 143 2.691 2.304 1.394 19586 95 1 16 "Average Difference" CB 129 3.077 2.683 1.512 19586 96 1 16 "Average Difference" HN 144 0.623 -0.104 0.616 19586 97 1 17 "Average Difference" N 144 2.916 -0.264 2.914 19586 98 1 17 "Average Difference" HA 155 0.401 0.218 0.338 19586 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19586 100 1 17 "Average Difference" CA 143 2.715 2.415 1.245 19586 101 1 17 "Average Difference" CB 129 3.096 2.668 1.576 19586 102 1 17 "Average Difference" HN 144 0.622 -0.087 0.618 19586 103 1 18 "Average Difference" N 144 2.643 -0.343 2.629 19586 104 1 18 "Average Difference" HA 155 0.405 0.224 0.339 19586 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19586 106 1 18 "Average Difference" CA 143 2.702 2.362 1.317 19586 107 1 18 "Average Difference" CB 129 3.135 2.720 1.566 19586 108 1 18 "Average Difference" HN 144 0.614 -0.068 0.612 19586 109 1 19 "Average Difference" N 144 2.825 -0.143 2.831 19586 110 1 19 "Average Difference" HA 155 0.383 0.228 0.309 19586 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19586 112 1 19 "Average Difference" CA 143 2.764 2.426 1.330 19586 113 1 19 "Average Difference" CB 129 3.071 2.691 1.487 19586 114 1 19 "Average Difference" HN 144 0.609 -0.045 0.610 19586 115 1 20 "Average Difference" N 144 2.827 -0.303 2.821 19586 116 1 20 "Average Difference" HA 155 0.401 0.232 0.328 19586 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19586 118 1 20 "Average Difference" CA 143 2.702 2.384 1.277 19586 119 1 20 "Average Difference" CB 129 3.082 2.659 1.565 19586 120 1 20 "Average Difference" HN 144 0.587 -0.065 0.585 19586 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 19586 _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 ASP N N 2 120.378 120.378 121.071 -0.693 19586 2 1 . 1 1 2 2 ASP HA H 2 4.585 4.585 4.726 -0.141 19586 3 1 . 1 1 2 2 ASP CA C 2 51.960 51.960 54.213 -2.253 19586 4 1 . 1 1 2 2 ASP H H 2 8.506 8.506 8.478 0.028 19586 5 1 . 1 1 3 3 GLN N N 3 119.707 119.707 119.749 -0.042 19586 6 1 . 1 1 3 3 GLN HA H 3 4.212 4.212 4.605 -0.393 19586 7 1 . 1 1 3 3 GLN CA C 3 52.735 52.735 55.327 -2.592 19586 8 1 . 1 1 3 3 GLN CB C 3 31.074 31.074 31.305 -0.231 19586 9 1 . 1 1 3 3 GLN H H 3 8.208 8.208 8.334 -0.126 19586 10 1 . 1 1 4 4 LEU N N 4 123.069 123.069 121.508 1.561 19586 11 1 . 1 1 4 4 LEU HA H 4 4.140 4.140 4.744 -0.604 19586 12 1 . 1 1 4 4 LEU CA C 4 51.658 51.658 55.315 -3.657 19586 13 1 . 1 1 4 4 LEU CB C 4 39.624 39.624 42.416 -2.792 19586 14 1 . 1 1 4 4 LEU H H 4 8.181 8.181 8.629 -0.448 19586 15 1 . 1 1 5 5 THR N N 5 112.909 112.909 112.817 0.092 19586 16 1 . 1 1 5 5 THR HA H 5 4.322 4.322 4.489 -0.167 19586 17 1 . 1 1 5 5 THR CA C 5 57.687 57.687 63.491 -5.804 19586 18 1 . 1 1 5 5 THR CB C 5 68.580 68.580 69.224 -0.644 19586 19 1 . 1 1 5 5 THR H H 5 8.607 8.607 7.938 0.669 19586 20 1 . 1 1 6 6 GLU N N 6 120.224 120.224 121.902 -1.678 19586 21 1 . 1 1 6 6 GLU HA H 6 3.825 3.825 4.124 -0.299 19586 22 1 . 1 1 6 6 GLU CA C 6 57.247 57.247 59.226 -1.979 19586 23 1 . 1 1 6 6 GLU CB C 6 29.136 29.136 29.428 -0.292 19586 24 1 . 1 1 6 6 GLU H H 6 8.877 8.877 8.582 0.295 19586 25 1 . 1 1 7 7 GLU N N 7 119.350 119.350 117.525 1.825 19586 26 1 . 1 1 7 7 GLU HA H 7 3.917 3.917 4.164 -0.247 19586 27 1 . 1 1 7 7 GLU CA C 7 57.198 57.198 58.534 -1.336 19586 28 1 . 1 1 7 7 GLU CB C 7 26.274 26.274 29.234 -2.960 19586 29 1 . 1 1 7 7 GLU H H 7 8.524 8.524 8.584 -0.060 19586 30 1 . 1 1 8 8 GLN N N 8 119.917 119.917 116.677 3.240 19586 31 1 . 1 1 8 8 GLN HA H 8 3.903 3.903 4.256 -0.353 19586 32 1 . 1 1 8 8 GLN CA C 8 55.976 55.976 57.951 -1.975 19586 33 1 . 1 1 8 8 GLN CB C 8 26.400 26.400 29.389 -2.989 19586 34 1 . 1 1 8 8 GLN H H 8 7.603 7.603 7.803 -0.200 19586 35 1 . 1 1 9 9 ILE N N 9 119.503 119.503 114.727 4.776 19586 36 1 . 1 1 9 9 ILE HA H 9 3.639 3.639 4.383 -0.745 19586 37 1 . 1 1 9 9 ILE CA C 9 63.796 63.796 61.222 2.574 19586 38 1 . 1 1 9 9 ILE CB C 9 35.178 35.178 38.785 -3.607 19586 39 1 . 1 1 9 9 ILE H H 9 8.260 8.260 7.505 0.755 19586 40 1 . 1 1 10 10 ALA N N 10 121.044 121.044 124.163 -3.119 19586 41 1 . 1 1 10 10 ALA HA H 10 3.961 3.961 4.240 -0.279 19586 42 1 . 1 1 10 10 ALA CA C 10 52.702 52.702 54.627 -1.925 19586 43 1 . 1 1 10 10 ALA CB C 10 15.114 15.114 18.624 -3.510 19586 44 1 . 1 1 10 10 ALA H H 10 7.840 7.840 8.058 -0.218 19586 45 1 . 1 1 11 11 GLU N N 11 119.113 119.113 118.728 0.385 19586 46 1 . 1 1 11 11 GLU HA H 11 3.908 3.908 4.323 -0.415 19586 47 1 . 1 1 11 11 GLU CA C 11 56.563 56.563 57.787 -1.224 19586 48 1 . 1 1 11 11 GLU CB C 11 26.400 26.400 29.692 -3.292 19586 49 1 . 1 1 11 11 GLU H H 11 7.635 7.635 8.212 -0.577 19586 50 1 . 1 1 12 12 PHE N N 12 119.574 119.574 119.905 -0.331 19586 51 1 . 1 1 12 12 PHE HA H 12 4.786 4.786 4.349 0.436 19586 52 1 . 1 1 12 12 PHE CA C 12 56.954 56.954 61.677 -4.723 19586 53 1 . 1 1 12 12 PHE CB C 12 35.064 35.064 39.428 -4.364 19586 54 1 . 1 1 12 12 PHE H H 12 8.441 8.441 7.951 0.490 19586 55 1 . 1 1 13 13 LYS N N 13 123.454 123.454 119.058 4.396 19586 56 1 . 1 1 13 13 LYS HA H 13 3.903 3.903 4.372 -0.469 19586 57 1 . 1 1 13 13 LYS CA C 13 57.296 57.296 58.178 -0.882 19586 58 1 . 1 1 13 13 LYS CB C 13 29.592 29.592 32.086 -2.494 19586 59 1 . 1 1 13 13 LYS H H 13 9.103 9.103 7.936 1.167 19586 60 1 . 1 1 14 14 GLU N N 14 119.525 119.525 117.205 2.320 19586 61 1 . 1 1 14 14 GLU HA H 14 3.911 3.911 4.397 -0.486 19586 62 1 . 1 1 14 14 GLU CA C 14 56.465 56.465 57.884 -1.419 19586 63 1 . 1 1 14 14 GLU CB C 14 26.502 26.502 30.141 -3.640 19586 64 1 . 1 1 14 14 GLU H H 14 7.667 7.667 8.075 -0.408 19586 65 1 . 1 1 15 15 ALA N N 15 121.983 121.983 122.507 -0.524 19586 66 1 . 1 1 15 15 ALA HA H 15 3.961 3.961 4.225 -0.264 19586 67 1 . 1 1 15 15 ALA CA C 15 52.751 52.751 54.631 -1.880 19586 68 1 . 1 1 15 15 ALA CB C 15 15.228 15.228 18.841 -3.613 19586 69 1 . 1 1 15 15 ALA H H 15 7.816 7.816 7.846 -0.030 19586 70 1 . 1 1 16 16 PHE N N 16 118.874 118.874 119.217 -0.343 19586 71 1 . 1 1 16 16 PHE HA H 16 3.095 3.095 4.115 -1.020 19586 72 1 . 1 1 16 16 PHE CA C 16 59.544 59.544 60.687 -1.143 19586 73 1 . 1 1 16 16 PHE CB C 16 36.774 36.774 39.236 -2.462 19586 74 1 . 1 1 16 16 PHE H H 16 8.764 8.764 8.413 0.351 19586 75 1 . 1 1 17 17 SER N N 17 111.578 111.578 113.147 -1.569 19586 76 1 . 1 1 17 17 SER HA H 17 3.979 3.979 4.270 -0.291 19586 77 1 . 1 1 17 17 SER CA C 17 58.567 58.567 60.234 -1.667 19586 78 1 . 1 1 17 17 SER CB C 17 60.600 60.600 62.863 -2.263 19586 79 1 . 1 1 17 17 SER H H 17 7.825 7.825 8.490 -0.665 19586 80 1 . 1 1 18 18 LEU N N 18 121.167 121.167 120.319 0.848 19586 81 1 . 1 1 18 18 LEU HA H 18 3.947 3.947 4.022 -0.075 19586 82 1 . 1 1 18 18 LEU CA C 18 54.608 54.608 57.073 -2.465 19586 83 1 . 1 1 18 18 LEU CB C 18 39.638 39.638 42.126 -2.488 19586 84 1 . 1 1 18 18 LEU H H 18 7.240 7.240 7.275 -0.035 19586 85 1 . 1 1 19 19 PHE N N 19 114.405 114.405 114.769 -0.364 19586 86 1 . 1 1 19 19 PHE HA H 19 3.911 3.911 4.399 -0.488 19586 87 1 . 1 1 19 19 PHE CA C 19 57.247 57.247 59.167 -1.920 19586 88 1 . 1 1 19 19 PHE CB C 19 33.810 33.810 39.789 -5.979 19586 89 1 . 1 1 19 19 PHE H H 19 7.090 7.090 7.332 -0.242 19586 90 1 . 1 1 20 20 ASP N N 20 115.823 115.823 120.024 -4.201 19586 91 1 . 1 1 20 20 ASP HA H 20 4.476 4.476 4.480 -0.004 19586 92 1 . 1 1 20 20 ASP CA C 20 49.476 49.476 54.407 -4.931 19586 93 1 . 1 1 20 20 ASP CB C 20 36.782 36.782 39.138 -2.356 19586 94 1 . 1 1 20 20 ASP H H 20 7.662 7.662 7.840 -0.178 19586 95 1 . 1 1 21 21 LYS N N 21 124.906 124.906 122.564 2.342 19586 96 1 . 1 1 21 21 LYS HA H 21 3.786 3.786 4.130 -0.344 19586 97 1 . 1 1 21 21 LYS CA C 21 56.025 56.025 57.885 -1.860 19586 98 1 . 1 1 21 21 LYS CB C 21 29.700 29.700 32.181 -2.481 19586 99 1 . 1 1 21 21 LYS H H 21 7.539 7.539 8.023 -0.484 19586 100 1 . 1 1 22 22 ASP N N 22 113.550 113.550 118.250 -4.700 19586 101 1 . 1 1 22 22 ASP HA H 22 4.431 4.431 4.640 -0.209 19586 102 1 . 1 1 22 22 ASP CA C 22 49.965 49.965 55.102 -5.137 19586 103 1 . 1 1 22 22 ASP CB C 22 36.774 36.774 41.470 -4.696 19586 104 1 . 1 1 22 22 ASP H H 22 7.965 7.965 7.797 0.168 19586 105 1 . 1 1 23 23 GLY N N 23 109.354 109.354 107.627 1.727 19586 106 1 . 1 1 23 23 GLY CA C 23 44.442 44.442 46.066 -1.624 19586 107 1 . 1 1 23 23 GLY H H 23 7.606 7.606 8.436 -0.830 19586 108 1 . 1 1 24 24 ASP N N 24 120.643 120.643 120.828 -0.185 19586 109 1 . 1 1 24 24 ASP HA H 24 4.355 4.355 4.756 -0.401 19586 110 1 . 1 1 24 24 ASP CA C 24 51.040 51.040 53.988 -2.948 19586 111 1 . 1 1 24 24 ASP CB C 24 37.686 37.686 41.146 -3.461 19586 112 1 . 1 1 24 24 ASP H H 24 8.266 8.266 8.380 -0.114 19586 113 1 . 1 1 25 25 GLY N N 25 113.205 113.205 107.374 5.831 19586 114 1 . 1 1 25 25 GLY CA C 25 42.683 42.683 45.287 -2.604 19586 115 1 . 1 1 25 25 GLY H H 25 10.545 10.545 8.246 2.299 19586 116 1 . 1 1 26 26 THR N N 26 112.852 112.852 109.822 3.030 19586 117 1 . 1 1 26 26 THR HA H 26 5.170 5.170 5.520 -0.350 19586 118 1 . 1 1 26 26 THR CA C 26 56.954 56.954 59.837 -2.883 19586 119 1 . 1 1 26 26 THR CB C 26 69.948 69.948 71.969 -2.021 19586 120 1 . 1 1 26 26 THR H H 26 8.020 8.020 7.653 0.367 19586 121 1 . 1 1 27 27 ILE N N 27 127.005 127.005 119.527 7.478 19586 122 1 . 1 1 27 27 ILE HA H 27 3.827 3.827 4.470 -0.643 19586 123 1 . 1 1 27 27 ILE CA C 27 57.931 57.931 59.284 -1.353 19586 124 1 . 1 1 27 27 ILE CB C 27 37.230 37.230 40.057 -2.827 19586 125 1 . 1 1 27 27 ILE H H 27 9.689 9.689 7.959 1.730 19586 126 1 . 1 1 28 28 THR N N 28 116.439 116.439 118.068 -1.629 19586 127 1 . 1 1 28 28 THR HA H 28 4.642 4.642 4.384 0.258 19586 128 1 . 1 1 28 28 THR CA C 28 56.612 56.612 62.615 -6.003 19586 129 1 . 1 1 28 28 THR CB C 28 69.606 69.606 69.491 0.115 19586 130 1 . 1 1 28 28 THR H H 28 8.275 8.275 8.538 -0.263 19586 131 1 . 1 1 29 29 THR N N 29 113.287 113.287 118.376 -5.089 19586 132 1 . 1 1 29 29 THR HA H 29 3.635 3.635 4.148 -0.513 19586 133 1 . 1 1 29 29 THR CA C 29 63.845 63.845 63.918 -0.073 19586 134 1 . 1 1 29 29 THR CB C 29 65.616 65.616 68.807 -3.191 19586 135 1 . 1 1 29 29 THR H H 29 9.054 9.054 8.641 0.413 19586 136 1 . 1 1 30 30 LYS N N 30 121.230 121.230 119.571 1.659 19586 137 1 . 1 1 30 30 LYS HA H 30 3.903 3.903 4.199 -0.296 19586 138 1 . 1 1 30 30 LYS CA C 30 56.465 56.465 58.535 -2.070 19586 139 1 . 1 1 30 30 LYS CB C 30 29.700 29.700 32.376 -2.676 19586 140 1 . 1 1 30 30 LYS H H 30 7.578 7.578 8.087 -0.509 19586 141 1 . 1 1 31 31 GLU N N 31 122.002 122.002 118.475 3.527 19586 142 1 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.241 -0.378 19586 143 1 . 1 1 31 31 GLU CA C 31 57.149 57.149 57.981 -0.832 19586 144 1 . 1 1 31 31 GLU CB C 31 26.058 26.058 29.003 -2.945 19586 145 1 . 1 1 31 31 GLU H H 31 7.712 7.712 8.120 -0.408 19586 146 1 . 1 1 32 32 LEU N N 32 119.130 119.130 118.814 0.316 19586 147 1 . 1 1 32 32 LEU HA H 32 3.925 3.925 4.146 -0.221 19586 148 1 . 1 1 32 32 LEU CA C 32 55.529 55.529 56.985 -1.456 19586 149 1 . 1 1 32 32 LEU CB C 32 39.981 39.981 40.954 -0.973 19586 150 1 . 1 1 32 32 LEU H H 32 8.509 8.509 7.670 0.839 19586 151 1 . 1 1 33 33 GLY N N 33 103.747 103.747 104.713 -0.966 19586 152 1 . 1 1 33 33 GLY CA C 33 45.664 45.664 45.983 -0.319 19586 153 1 . 1 1 33 33 GLY H H 33 8.388 8.388 7.934 0.454 19586 154 1 . 1 1 34 34 THR N N 34 117.487 117.487 116.698 0.789 19586 155 1 . 1 1 34 34 THR HA H 34 3.795 3.795 4.379 -0.584 19586 156 1 . 1 1 34 34 THR CA C 34 64.285 64.285 63.553 0.732 19586 157 1 . 1 1 34 34 THR CB C 34 66.186 66.186 68.587 -2.401 19586 158 1 . 1 1 34 34 THR H H 34 7.935 7.935 7.704 0.231 19586 159 1 . 1 1 35 35 VAL N N 35 120.287 120.287 119.737 0.550 19586 160 1 . 1 1 35 35 VAL H H 35 7.089 7.089 7.323 -0.234 19586 161 1 . 1 1 36 36 MET N N 36 117.816 117.816 117.914 -0.098 19586 162 1 . 1 1 36 36 MET HA H 36 3.911 3.911 4.235 -0.324 19586 163 1 . 1 1 36 36 MET CA C 36 57.101 57.101 58.548 -1.447 19586 164 1 . 1 1 36 36 MET CB C 36 29.929 29.929 32.537 -2.608 19586 165 1 . 1 1 36 36 MET H H 36 8.318 8.318 7.808 0.510 19586 166 1 . 1 1 37 37 ARG N N 37 117.706 117.706 118.873 -1.167 19586 167 1 . 1 1 37 37 ARG HA H 37 4.698 4.698 4.172 0.526 19586 168 1 . 1 1 37 37 ARG CA C 37 56.172 56.172 58.048 -1.876 19586 169 1 . 1 1 37 37 ARG CB C 37 27.084 27.084 29.597 -2.513 19586 170 1 . 1 1 37 37 ARG H H 37 8.233 8.233 8.122 0.111 19586 171 1 . 1 1 38 38 SER N N 38 118.974 118.974 113.724 5.250 19586 172 1 . 1 1 38 38 SER HA H 38 4.187 4.187 4.401 -0.214 19586 173 1 . 1 1 38 38 SER CA C 38 59.251 59.251 60.120 -0.869 19586 174 1 . 1 1 38 38 SER CB C 38 67.782 67.782 63.755 4.027 19586 175 1 . 1 1 38 38 SER H H 38 7.874 7.874 8.021 -0.147 19586 176 1 . 1 1 39 39 LEU N N 39 118.835 118.835 121.833 -2.998 19586 177 1 . 1 1 39 39 LEU HA H 39 4.139 4.139 4.472 -0.333 19586 178 1 . 1 1 39 39 LEU CA C 39 51.333 51.333 54.974 -3.641 19586 179 1 . 1 1 39 39 LEU CB C 39 39.638 39.638 42.113 -2.475 19586 180 1 . 1 1 39 39 LEU H H 39 7.248 7.248 7.638 -0.390 19586 181 1 . 1 1 40 40 GLY N N 40 104.990 104.990 106.531 -1.541 19586 182 1 . 1 1 40 40 GLY CA C 40 42.878 42.878 45.598 -2.720 19586 183 1 . 1 1 40 40 GLY H H 40 7.471 7.471 7.976 -0.505 19586 184 1 . 1 1 41 41 GLN N N 41 118.032 118.032 118.716 -0.684 19586 185 1 . 1 1 41 41 GLN HA H 41 4.370 4.370 4.592 -0.222 19586 186 1 . 1 1 41 41 GLN CA C 41 51.187 51.187 54.337 -3.149 19586 187 1 . 1 1 41 41 GLN CB C 41 30.618 30.618 31.198 -0.580 19586 188 1 . 1 1 41 41 GLN H H 41 7.860 7.860 7.854 0.006 19586 189 1 . 1 1 42 42 ASN N N 42 115.671 115.671 117.090 -1.419 19586 190 1 . 1 1 42 42 ASN HA H 42 5.094 5.094 5.085 0.009 19586 191 1 . 1 1 42 42 ASN CA C 42 48.694 48.694 50.811 -2.117 19586 192 1 . 1 1 42 42 ASN CB C 42 36.554 36.554 39.959 -3.405 19586 193 1 . 1 1 42 42 ASN H H 42 8.561 8.561 8.417 0.144 19586 194 1 . 1 1 43 43 PRO HA H 43 4.711 4.711 4.674 0.037 19586 195 1 . 1 1 44 44 THR N N 44 113.509 113.509 118.622 -5.113 19586 196 1 . 1 1 44 44 THR HA H 44 4.321 4.321 4.437 -0.116 19586 197 1 . 1 1 44 44 THR CA C 44 57.638 57.638 61.232 -3.594 19586 198 1 . 1 1 44 44 THR CB C 44 68.466 68.466 68.387 0.079 19586 199 1 . 1 1 44 44 THR H H 44 8.882 8.882 8.349 0.533 19586 200 1 . 1 1 45 45 GLU N N 45 120.506 120.506 127.194 -6.688 19586 201 1 . 1 1 45 45 GLU HA H 45 3.880 3.880 3.918 -0.038 19586 202 1 . 1 1 45 45 GLU CA C 45 57.101 57.101 59.794 -2.693 19586 203 1 . 1 1 45 45 GLU CB C 45 26.274 26.274 29.599 -3.325 19586 204 1 . 1 1 45 45 GLU H H 45 8.662 8.662 8.340 0.322 19586 205 1 . 1 1 46 46 ALA N N 46 120.586 120.586 119.976 0.610 19586 206 1 . 1 1 46 46 ALA HA H 46 3.925 3.925 4.167 -0.242 19586 207 1 . 1 1 46 46 ALA CA C 46 52.311 52.311 54.297 -1.986 19586 208 1 . 1 1 46 46 ALA CB C 46 15.080 15.080 18.379 -3.299 19586 209 1 . 1 1 46 46 ALA H H 46 8.139 8.139 8.400 -0.261 19586 210 1 . 1 1 47 47 GLU N N 47 118.171 118.171 118.386 -0.215 19586 211 1 . 1 1 47 47 GLU HA H 47 3.876 3.876 4.155 -0.279 19586 212 1 . 1 1 47 47 GLU CA C 47 56.270 56.270 58.601 -2.331 19586 213 1 . 1 1 47 47 GLU CB C 47 26.286 26.286 29.623 -3.337 19586 214 1 . 1 1 47 47 GLU H H 47 7.597 7.597 7.908 -0.311 19586 215 1 . 1 1 48 48 LEU N N 48 120.228 120.228 116.581 3.647 19586 216 1 . 1 1 48 48 LEU HA H 48 3.927 3.927 4.143 -0.216 19586 217 1 . 1 1 48 48 LEU CA C 48 55.048 55.048 57.663 -2.615 19586 218 1 . 1 1 48 48 LEU CB C 48 39.981 39.981 40.628 -0.647 19586 219 1 . 1 1 48 48 LEU H H 48 7.848 7.848 7.562 0.286 19586 220 1 . 1 1 49 49 GLN N N 49 117.910 117.910 118.678 -0.768 19586 221 1 . 1 1 49 49 GLN HA H 49 3.901 3.901 4.061 -0.160 19586 222 1 . 1 1 49 49 GLN CA C 49 55.732 55.732 58.851 -3.119 19586 223 1 . 1 1 49 49 GLN CB C 49 27.882 27.882 28.465 -0.583 19586 224 1 . 1 1 49 49 GLN H H 49 8.037 8.037 8.028 0.009 19586 225 1 . 1 1 50 50 ASP N N 50 119.284 119.284 118.756 0.528 19586 226 1 . 1 1 50 50 ASP HA H 50 4.157 4.157 4.495 -0.338 19586 227 1 . 1 1 50 50 ASP CA C 50 54.706 54.706 56.508 -1.802 19586 228 1 . 1 1 50 50 ASP CB C 50 37.572 37.572 40.869 -3.297 19586 229 1 . 1 1 50 50 ASP H H 50 8.010 8.010 7.805 0.205 19586 230 1 . 1 1 51 51 MET N N 51 119.245 119.245 117.612 1.633 19586 231 1 . 1 1 51 51 MET HA H 51 3.923 3.923 4.478 -0.555 19586 232 1 . 1 1 51 51 MET CA C 51 56.563 56.563 56.963 -0.400 19586 233 1 . 1 1 51 51 MET CB C 51 29.478 29.478 34.002 -4.524 19586 234 1 . 1 1 51 51 MET H H 51 7.614 7.614 7.532 0.082 19586 235 1 . 1 1 52 52 ILE N N 52 117.584 117.584 120.650 -3.066 19586 236 1 . 1 1 52 52 ILE HA H 52 3.328 3.328 3.693 -0.365 19586 237 1 . 1 1 52 52 ILE CA C 52 61.890 61.890 65.094 -3.204 19586 238 1 . 1 1 52 52 ILE CB C 52 34.494 34.494 37.577 -3.083 19586 239 1 . 1 1 52 52 ILE H H 52 7.514 7.514 8.776 -1.262 19586 240 1 . 1 1 53 53 ASN N N 53 117.126 117.126 117.495 -0.369 19586 241 1 . 1 1 53 53 ASN HA H 53 4.222 4.222 4.590 -0.368 19586 242 1 . 1 1 53 53 ASN CA C 53 53.093 53.093 56.184 -3.091 19586 243 1 . 1 1 53 53 ASN CB C 53 35.292 35.292 38.640 -3.348 19586 244 1 . 1 1 53 53 ASN H H 53 8.418 8.418 7.747 0.671 19586 245 1 . 1 1 54 54 GLU N N 54 116.380 116.380 116.500 -0.120 19586 246 1 . 1 1 54 54 GLU HA H 54 3.903 3.903 4.256 -0.353 19586 247 1 . 1 1 54 54 GLU CA C 54 56.123 56.123 58.054 -1.931 19586 248 1 . 1 1 54 54 GLU CB C 54 26.400 26.400 30.245 -3.845 19586 249 1 . 1 1 54 54 GLU H H 54 7.466 7.466 8.259 -0.793 19586 250 1 . 1 1 55 55 VAL N N 55 108.622 108.622 112.482 -3.860 19586 251 1 . 1 1 55 55 VAL HA H 55 4.314 4.314 4.274 0.040 19586 252 1 . 1 1 55 55 VAL CA C 55 58.176 58.176 62.261 -4.085 19586 253 1 . 1 1 55 55 VAL CB C 55 30.162 30.162 32.286 -2.124 19586 254 1 . 1 1 55 55 VAL H H 55 7.044 7.044 7.616 -0.572 19586 255 1 . 1 1 56 56 ASP N N 56 121.430 121.430 121.298 0.132 19586 256 1 . 1 1 56 56 ASP HA H 56 4.390 4.390 4.618 -0.228 19586 257 1 . 1 1 56 56 ASP CA C 56 50.991 50.991 52.692 -1.701 19586 258 1 . 1 1 56 56 ASP CB C 56 36.896 36.896 38.492 -1.596 19586 259 1 . 1 1 56 56 ASP H H 56 7.561 7.561 8.237 -0.676 19586 260 1 . 1 1 57 57 ALA N N 57 131.840 131.840 124.304 7.536 19586 261 1 . 1 1 57 57 ALA HA H 57 4.053 4.053 4.127 -0.074 19586 262 1 . 1 1 57 57 ALA CA C 57 51.480 51.480 54.530 -3.050 19586 263 1 . 1 1 57 57 ALA CB C 57 16.793 16.793 19.044 -2.251 19586 264 1 . 1 1 57 57 ALA H H 57 8.357 8.357 7.999 0.358 19586 265 1 . 1 1 58 58 ASP N N 58 113.565 113.565 116.973 -3.408 19586 266 1 . 1 1 58 58 ASP HA H 58 4.490 4.490 4.712 -0.222 19586 267 1 . 1 1 58 58 ASP CA C 58 49.916 49.916 53.074 -3.158 19586 268 1 . 1 1 58 58 ASP CB C 58 36.774 36.774 41.205 -4.431 19586 269 1 . 1 1 58 58 ASP H H 58 7.985 7.985 8.150 -0.165 19586 270 1 . 1 1 59 59 GLY N N 59 108.187 108.187 109.120 -0.933 19586 271 1 . 1 1 59 59 GLY CA C 59 44.491 44.491 46.236 -1.745 19586 272 1 . 1 1 59 59 GLY H H 59 7.424 7.424 7.727 -0.303 19586 273 1 . 1 1 60 60 ASN N N 60 118.065 118.065 121.221 -3.156 19586 274 1 . 1 1 60 60 ASN HA H 60 4.446 4.446 4.710 -0.264 19586 275 1 . 1 1 60 60 ASN CA C 60 49.769 49.769 53.301 -3.531 19586 276 1 . 1 1 60 60 ASN CB C 60 36.554 36.554 38.975 -2.421 19586 277 1 . 1 1 60 60 ASN H H 60 7.919 7.919 8.550 -0.631 19586 278 1 . 1 1 61 61 GLY N N 61 113.247 113.247 107.609 5.638 19586 279 1 . 1 1 61 61 GLY CA C 61 42.878 42.878 46.508 -3.630 19586 280 1 . 1 1 61 61 GLY H H 61 10.485 10.485 8.618 1.867 19586 281 1 . 1 1 62 62 THR N N 62 108.699 108.699 112.476 -3.777 19586 282 1 . 1 1 62 62 THR HA H 62 4.580 4.580 4.490 0.090 19586 283 1 . 1 1 62 62 THR CA C 62 56.661 56.661 60.655 -3.994 19586 284 1 . 1 1 62 62 THR H H 62 7.511 7.511 7.475 0.036 19586 285 1 . 1 1 63 63 ILE N N 63 122.834 122.834 120.489 2.345 19586 286 1 . 1 1 63 63 ILE HA H 63 5.054 5.054 4.444 0.610 19586 287 1 . 1 1 63 63 ILE CA C 63 57.101 57.101 59.383 -2.282 19586 288 1 . 1 1 63 63 ILE CB C 63 37.344 37.344 41.589 -4.245 19586 289 1 . 1 1 63 63 ILE H H 63 8.741 8.741 8.128 0.613 19586 290 1 . 1 1 64 64 ASP N N 64 127.818 127.818 122.974 4.844 19586 291 1 . 1 1 64 64 ASP HA H 64 5.238 5.238 5.296 -0.058 19586 292 1 . 1 1 64 64 ASP CA C 64 49.378 49.378 52.318 -2.940 19586 293 1 . 1 1 64 64 ASP CB C 64 36.782 36.782 43.421 -6.639 19586 294 1 . 1 1 64 64 ASP H H 64 8.702 8.702 8.331 0.371 19586 295 1 . 1 1 65 65 PHE N N 65 118.653 118.653 119.684 -1.031 19586 296 1 . 1 1 65 65 PHE HA H 65 3.861 3.861 4.342 -0.481 19586 297 1 . 1 1 65 65 PHE CA C 65 60.717 60.717 63.200 -2.483 19586 298 1 . 1 1 65 65 PHE CB C 65 33.126 33.126 37.392 -4.266 19586 299 1 . 1 1 65 65 PHE H H 65 8.847 8.847 8.863 -0.016 19586 300 1 . 1 1 67 67 GLU N N 67 117.631 117.631 116.851 0.780 19586 301 1 . 1 1 67 67 GLU HA H 67 3.903 3.903 4.214 -0.311 19586 302 1 . 1 1 67 67 GLU CA C 67 56.337 56.337 57.812 -1.475 19586 303 1 . 1 1 67 67 GLU CB C 67 26.045 26.045 28.712 -2.667 19586 304 1 . 1 1 67 67 GLU H H 67 7.940 7.940 8.735 -0.795 19586 305 1 . 1 1 68 68 PHE N N 68 123.289 123.289 120.463 2.826 19586 306 1 . 1 1 68 68 PHE HA H 68 3.840 3.840 4.310 -0.470 19586 307 1 . 1 1 68 68 PHE CA C 68 58.727 58.727 61.003 -2.276 19586 308 1 . 1 1 68 68 PHE CB C 68 37.572 37.572 39.378 -1.806 19586 309 1 . 1 1 68 68 PHE H H 68 8.757 8.757 7.668 1.089 19586 310 1 . 1 1 69 69 LEU N N 69 118.867 118.867 117.616 1.251 19586 311 1 . 1 1 69 69 LEU HA H 69 3.245 3.245 4.116 -0.871 19586 312 1 . 1 1 69 69 LEU CA C 69 55.158 55.158 56.973 -1.815 19586 313 1 . 1 1 69 69 LEU CB C 69 38.256 38.256 41.571 -3.315 19586 314 1 . 1 1 69 69 LEU H H 69 8.403 8.403 8.027 0.376 19586 315 1 . 1 1 70 70 THR N N 70 116.302 116.302 112.436 3.866 19586 316 1 . 1 1 70 70 THR HA H 70 3.624 3.624 4.026 -0.402 19586 317 1 . 1 1 70 70 THR CA C 70 63.843 63.843 65.311 -1.468 19586 318 1 . 1 1 70 70 THR CB C 70 65.502 65.502 68.616 -3.114 19586 319 1 . 1 1 70 70 THR H H 70 7.540 7.540 7.730 -0.190 19586 320 1 . 1 1 71 71 MET N N 71 121.710 121.710 120.373 1.337 19586 321 1 . 1 1 71 71 MET HA H 71 3.903 3.903 4.259 -0.356 19586 322 1 . 1 1 71 71 MET CA C 71 56.303 56.303 57.939 -1.636 19586 323 1 . 1 1 71 71 MET CB C 71 29.706 29.706 31.884 -2.178 19586 324 1 . 1 1 71 71 MET H H 71 7.723 7.723 7.420 0.303 19586 325 1 . 1 1 72 72 MET N N 72 116.535 116.535 118.164 -1.629 19586 326 1 . 1 1 72 72 MET HA H 72 3.773 3.773 4.272 -0.499 19586 327 1 . 1 1 72 72 MET CA C 72 53.307 53.307 56.786 -3.479 19586 328 1 . 1 1 72 72 MET CB C 72 28.787 28.787 32.237 -3.450 19586 329 1 . 1 1 72 72 MET H H 72 7.982 7.982 7.701 0.281 19586 330 1 . 1 1 73 73 ALA N N 73 121.584 121.584 122.916 -1.332 19586 331 1 . 1 1 73 73 ALA HA H 73 3.880 3.880 4.028 -0.148 19586 332 1 . 1 1 73 73 ALA CA C 73 52.095 52.095 54.833 -2.738 19586 333 1 . 1 1 73 73 ALA CB C 73 15.342 15.342 18.072 -2.730 19586 334 1 . 1 1 73 73 ALA H H 73 8.074 8.074 7.550 0.524 19586 335 1 . 1 1 74 74 ARG N N 74 115.784 115.784 117.312 -1.528 19586 336 1 . 1 1 74 74 ARG HA H 74 3.903 3.903 4.111 -0.208 19586 337 1 . 1 1 74 74 ARG CA C 74 55.731 55.731 58.333 -2.602 19586 338 1 . 1 1 74 74 ARG CB C 74 27.987 27.987 30.241 -2.254 19586 339 1 . 1 1 74 74 ARG H H 74 7.358 7.358 7.749 -0.391 19586 340 1 . 1 1 75 75 LYS N N 75 117.245 117.245 117.577 -0.333 19586 341 1 . 1 1 75 75 LYS HA H 75 3.949 3.949 4.260 -0.311 19586 342 1 . 1 1 75 75 LYS CA C 75 53.947 53.947 57.496 -3.549 19586 343 1 . 1 1 75 75 LYS CB C 75 26.400 26.400 32.501 -6.101 19586 344 1 . 1 1 75 75 LYS H H 75 7.640 7.640 7.817 -0.177 19586 345 1 . 1 1 76 76 MET N N 76 117.971 117.971 119.663 -1.692 19586 346 1 . 1 1 76 76 MET HA H 76 4.242 4.242 4.438 -0.196 19586 347 1 . 1 1 76 76 MET CA C 76 53.947 53.947 54.873 -0.926 19586 348 1 . 1 1 76 76 MET CB C 76 29.478 29.478 31.498 -2.020 19586 349 1 . 1 1 76 76 MET H H 76 7.794 7.794 7.782 0.012 19586 350 1 . 1 1 77 77 LYS N N 77 119.902 119.902 122.378 -2.476 19586 351 1 . 1 1 77 77 LYS HA H 77 4.152 4.152 4.370 -0.218 19586 352 1 . 1 1 77 77 LYS CA C 77 54.283 54.283 55.937 -1.654 19586 353 1 . 1 1 77 77 LYS CB C 77 29.478 29.478 30.725 -1.247 19586 354 1 . 1 1 77 77 LYS H H 77 7.622 7.622 7.644 -0.022 19586 355 1 . 1 1 78 78 ASP N N 78 119.146 119.146 120.316 -1.170 19586 356 1 . 1 1 78 78 ASP HA H 78 4.243 4.243 4.360 -0.117 19586 357 1 . 1 1 78 78 ASP CA C 78 52.061 52.061 55.184 -3.123 19586 358 1 . 1 1 78 78 ASP H H 78 7.991 7.991 8.233 -0.242 19586 359 1 . 1 1 79 79 THR N N 79 112.750 112.750 112.555 0.195 19586 360 1 . 1 1 79 79 THR HA H 79 4.170 4.170 4.356 -0.186 19586 361 1 . 1 1 79 79 THR CA C 79 59.030 59.030 61.895 -2.865 19586 362 1 . 1 1 79 79 THR CB C 79 67.668 67.668 69.670 -2.002 19586 363 1 . 1 1 79 79 THR H H 79 7.587 7.587 7.908 -0.321 19586 364 1 . 1 1 80 80 ASP N N 80 122.888 122.888 123.178 -0.290 19586 365 1 . 1 1 80 80 ASP HA H 80 4.371 4.371 4.763 -0.392 19586 366 1 . 1 1 80 80 ASP CA C 80 50.850 50.850 54.203 -3.353 19586 367 1 . 1 1 80 80 ASP CB C 80 37.353 37.353 42.331 -4.978 19586 368 1 . 1 1 80 80 ASP H H 80 8.354 8.354 8.445 -0.090 19586 369 1 . 1 1 81 81 SER N N 81 117.571 117.571 116.202 1.369 19586 370 1 . 1 1 81 81 SER HA H 81 4.115 4.115 4.303 -0.188 19586 371 1 . 1 1 81 81 SER CA C 81 57.717 57.717 60.850 -3.133 19586 372 1 . 1 1 81 81 SER CB C 81 60.884 60.884 63.737 -2.853 19586 373 1 . 1 1 81 81 SER H H 81 8.232 8.232 8.570 -0.338 19586 374 1 . 1 1 82 82 GLU N N 82 121.860 121.860 121.483 0.377 19586 375 1 . 1 1 82 82 GLU HA H 82 3.883 3.883 4.092 -0.209 19586 376 1 . 1 1 82 82 GLU CA C 82 56.707 56.707 59.501 -2.794 19586 377 1 . 1 1 82 82 GLU CB C 82 29.592 29.592 29.262 0.330 19586 378 1 . 1 1 82 82 GLU H H 82 8.364 8.364 8.740 -0.376 19586 379 1 . 1 1 83 83 GLU N N 83 119.398 119.398 117.608 1.790 19586 380 1 . 1 1 83 83 GLU HA H 83 3.883 3.883 4.114 -0.231 19586 381 1 . 1 1 83 83 GLU CA C 83 56.606 56.606 59.419 -2.813 19586 382 1 . 1 1 83 83 GLU CB C 83 29.364 29.364 29.299 0.065 19586 383 1 . 1 1 83 83 GLU H H 83 8.032 8.032 8.864 -0.832 19586 384 1 . 1 1 84 84 GLU N N 84 118.279 118.279 118.684 -0.405 19586 385 1 . 1 1 84 84 GLU HA H 84 3.871 3.871 4.318 -0.447 19586 386 1 . 1 1 84 84 GLU CA C 84 56.606 56.606 58.251 -1.645 19586 387 1 . 1 1 84 84 GLU CB C 84 25.817 25.817 29.513 -3.696 19586 388 1 . 1 1 84 84 GLU H H 84 8.153 8.153 7.730 0.423 19586 389 1 . 1 1 85 85 ILE N N 85 120.970 120.970 120.509 0.461 19586 390 1 . 1 1 85 85 ILE HA H 85 3.612 3.612 3.946 -0.334 19586 391 1 . 1 1 85 85 ILE CA C 85 63.439 63.439 64.300 -0.861 19586 392 1 . 1 1 85 85 ILE CB C 85 34.608 34.608 38.501 -3.893 19586 393 1 . 1 1 85 85 ILE H H 85 7.927 7.927 7.957 -0.030 19586 394 1 . 1 1 86 86 ARG N N 86 121.766 121.766 118.880 2.886 19586 395 1 . 1 1 86 86 ARG HA H 86 4.008 4.008 4.187 -0.179 19586 396 1 . 1 1 86 86 ARG CA C 86 57.515 57.515 59.300 -1.785 19586 397 1 . 1 1 86 86 ARG CB C 86 26.856 26.856 30.064 -3.208 19586 398 1 . 1 1 86 86 ARG H H 86 8.233 8.233 8.493 -0.260 19586 399 1 . 1 1 87 87 GLU N N 87 118.369 118.369 118.518 -0.149 19586 400 1 . 1 1 87 87 GLU HA H 87 3.902 3.902 4.240 -0.338 19586 401 1 . 1 1 87 87 GLU CA C 87 56.606 56.606 57.846 -1.240 19586 402 1 . 1 1 87 87 GLU CB C 87 25.817 25.817 29.295 -3.478 19586 403 1 . 1 1 87 87 GLU H H 87 8.156 8.156 7.855 0.301 19586 404 1 . 1 1 88 88 ALA N N 88 120.337 120.337 119.720 0.617 19586 405 1 . 1 1 88 88 ALA HA H 88 3.949 3.949 4.617 -0.668 19586 406 1 . 1 1 88 88 ALA CA C 88 52.263 52.263 52.572 -0.309 19586 407 1 . 1 1 88 88 ALA CB C 88 15.080 15.080 20.080 -5.000 19586 408 1 . 1 1 88 88 ALA H H 88 7.877 7.877 7.579 0.298 19586 409 1 . 1 1 89 89 PHE N N 89 118.191 118.191 121.153 -2.962 19586 410 1 . 1 1 89 89 PHE HA H 89 3.115 3.115 4.310 -1.195 19586 411 1 . 1 1 89 89 PHE CA C 89 59.703 59.703 61.517 -1.814 19586 412 1 . 1 1 89 89 PHE CB C 89 36.774 36.774 39.872 -3.098 19586 413 1 . 1 1 89 89 PHE H H 89 8.459 8.459 8.031 0.428 19586 414 1 . 1 1 90 90 ARG N N 90 115.953 115.953 117.802 -1.849 19586 415 1 . 1 1 90 90 ARG HA H 90 3.905 3.905 4.514 -0.609 19586 416 1 . 1 1 90 90 ARG CA C 90 56.168 56.168 58.304 -2.136 19586 417 1 . 1 1 90 90 ARG CB C 90 27.654 27.654 29.809 -2.155 19586 418 1 . 1 1 90 90 ARG H H 90 7.764 7.764 7.931 -0.167 19586 419 1 . 1 1 91 91 VAL N N 91 118.202 118.202 117.591 0.611 19586 420 1 . 1 1 91 91 VAL HA H 91 3.285 3.285 3.875 -0.590 19586 421 1 . 1 1 91 91 VAL CA C 91 63.357 63.357 64.905 -1.548 19586 422 1 . 1 1 91 91 VAL CB C 91 28.444 28.444 31.808 -3.365 19586 423 1 . 1 1 91 91 VAL H H 91 7.229 7.229 7.545 -0.316 19586 424 1 . 1 1 92 92 PHE N N 92 112.447 112.447 118.839 -6.392 19586 425 1 . 1 1 92 92 PHE HA H 92 3.945 3.945 4.328 -0.383 19586 426 1 . 1 1 92 92 PHE CA C 92 58.029 58.029 58.866 -0.837 19586 427 1 . 1 1 92 92 PHE CB C 92 38.838 38.838 40.425 -1.587 19586 428 1 . 1 1 92 92 PHE H H 92 6.699 6.699 7.389 -0.690 19586 429 1 . 1 1 93 93 ASP N N 93 116.461 116.461 118.370 -1.909 19586 430 1 . 1 1 93 93 ASP HA H 93 4.476 4.476 4.533 -0.057 19586 431 1 . 1 1 93 93 ASP CA C 93 49.525 49.525 53.643 -4.118 19586 432 1 . 1 1 93 93 ASP CB C 93 35.183 35.183 40.726 -5.543 19586 433 1 . 1 1 93 93 ASP H H 93 7.881 7.881 8.224 -0.343 19586 434 1 . 1 1 94 94 LYS N N 94 125.494 125.494 123.569 1.925 19586 435 1 . 1 1 94 94 LYS HA H 94 3.668 3.668 4.011 -0.343 19586 436 1 . 1 1 94 94 LYS CA C 94 55.976 55.976 58.899 -2.923 19586 437 1 . 1 1 94 94 LYS CB C 94 31.414 31.414 32.398 -0.984 19586 438 1 . 1 1 94 94 LYS H H 94 7.596 7.596 8.504 -0.908 19586 439 1 . 1 1 95 95 ASP N N 95 114.015 114.015 117.184 -3.169 19586 440 1 . 1 1 95 95 ASP HA H 95 4.415 4.415 4.652 -0.237 19586 441 1 . 1 1 95 95 ASP CA C 95 50.307 50.307 54.870 -4.563 19586 442 1 . 1 1 95 95 ASP CB C 95 36.774 36.774 42.445 -5.671 19586 443 1 . 1 1 95 95 ASP H H 95 8.097 8.097 7.882 0.215 19586 444 1 . 1 1 96 96 GLY N N 96 109.147 109.147 108.548 0.599 19586 445 1 . 1 1 96 96 GLY CA C 96 44.344 44.344 45.226 -0.882 19586 446 1 . 1 1 96 96 GLY H H 96 7.677 7.677 8.536 -0.859 19586 447 1 . 1 1 97 97 ASN N N 97 119.575 119.575 119.292 0.283 19586 448 1 . 1 1 97 97 ASN HA H 97 4.500 4.500 4.919 -0.419 19586 449 1 . 1 1 97 97 ASN CA C 97 49.916 49.916 52.661 -2.745 19586 450 1 . 1 1 97 97 ASN CB C 97 35.183 35.183 38.985 -3.802 19586 451 1 . 1 1 97 97 ASN H H 97 8.252 8.252 8.165 0.087 19586 452 1 . 1 1 98 98 GLY N N 98 112.465 112.465 106.861 5.604 19586 453 1 . 1 1 98 98 GLY CA C 98 42.292 42.292 45.852 -3.560 19586 454 1 . 1 1 98 98 GLY H H 98 10.462 10.462 8.479 1.983 19586 455 1 . 1 1 99 99 TYR N N 99 116.256 116.256 118.695 -2.439 19586 456 1 . 1 1 99 99 TYR HA H 99 4.882 4.882 4.946 -0.064 19586 457 1 . 1 1 99 99 TYR CA C 99 53.582 53.582 56.659 -3.077 19586 458 1 . 1 1 99 99 TYR CB C 99 39.981 39.981 41.742 -1.761 19586 459 1 . 1 1 99 99 TYR H H 99 7.557 7.557 7.663 -0.106 19586 460 1 . 1 1 100 100 ILE N N 100 126.957 126.957 121.729 5.228 19586 461 1 . 1 1 100 100 ILE HA H 100 4.457 4.457 4.313 0.144 19586 462 1 . 1 1 100 100 ILE CA C 100 58.616 58.616 60.557 -1.941 19586 463 1 . 1 1 100 100 ILE CB C 100 36.432 36.432 39.880 -3.448 19586 464 1 . 1 1 100 100 ILE H H 100 9.972 9.972 8.869 1.103 19586 465 1 . 1 1 101 101 SER N N 101 123.739 123.739 122.713 1.026 19586 466 1 . 1 1 101 101 SER HA H 101 4.711 4.711 4.403 0.308 19586 467 1 . 1 1 101 101 SER CA C 101 52.897 52.897 58.402 -5.505 19586 468 1 . 1 1 101 101 SER CB C 101 64.134 64.134 64.303 -0.169 19586 469 1 . 1 1 101 101 SER H H 101 8.844 8.844 8.586 0.258 19586 470 1 . 1 1 102 102 ALA N N 102 123.028 123.028 127.041 -4.013 19586 471 1 . 1 1 102 102 ALA HA H 102 3.711 3.711 4.172 -0.461 19586 472 1 . 1 1 102 102 ALA CA C 102 53.093 53.093 54.920 -1.827 19586 473 1 . 1 1 102 102 ALA CB C 102 15.114 15.114 18.900 -3.785 19586 474 1 . 1 1 102 102 ALA H H 102 9.178 9.178 8.679 0.499 19586 475 1 . 1 1 103 103 ALA N N 103 118.443 118.443 118.767 -0.324 19586 476 1 . 1 1 103 103 ALA HA H 103 3.861 3.861 4.343 -0.482 19586 477 1 . 1 1 103 103 ALA CA C 103 52.409 52.409 52.875 -0.466 19586 478 1 . 1 1 103 103 ALA CB C 103 15.456 15.456 17.709 -2.253 19586 479 1 . 1 1 103 103 ALA H H 103 8.132 8.132 8.318 -0.186 19586 480 1 . 1 1 104 104 GLU N N 104 120.139 120.139 120.291 -0.152 19586 481 1 . 1 1 104 104 GLU HA H 104 3.839 3.839 4.095 -0.257 19586 482 1 . 1 1 104 104 GLU CA C 104 56.563 56.563 59.253 -2.690 19586 483 1 . 1 1 104 104 GLU CB C 104 26.400 26.400 29.373 -2.972 19586 484 1 . 1 1 104 104 GLU H H 104 7.786 7.786 7.589 0.197 19586 485 1 . 1 1 105 105 LEU N N 105 121.545 121.545 119.535 2.010 19586 486 1 . 1 1 105 105 LEU HA H 105 3.902 3.902 3.891 0.011 19586 487 1 . 1 1 105 105 LEU CA C 105 55.732 55.732 57.727 -1.995 19586 488 1 . 1 1 105 105 LEU CB C 105 40.209 40.209 41.573 -1.364 19586 489 1 . 1 1 105 105 LEU H H 105 8.240 8.240 7.913 0.327 19586 490 1 . 1 1 106 106 ARG N N 106 118.625 118.625 117.746 0.879 19586 491 1 . 1 1 106 106 ARG HA H 106 3.839 3.839 3.974 -0.135 19586 492 1 . 1 1 106 106 ARG CA C 106 57.345 57.345 59.002 -1.657 19586 493 1 . 1 1 106 106 ARG CB C 106 30.390 30.390 29.481 0.909 19586 494 1 . 1 1 106 106 ARG H H 106 8.761 8.761 8.288 0.473 19586 495 1 . 1 1 107 107 HIS N N 107 119.052 119.052 118.366 0.686 19586 496 1 . 1 1 107 107 HIS HA H 107 3.902 3.902 4.397 -0.495 19586 497 1 . 1 1 107 107 HIS CA C 107 56.807 56.807 59.474 -2.667 19586 498 1 . 1 1 107 107 HIS CB C 107 27.198 27.198 30.489 -3.291 19586 499 1 . 1 1 107 107 HIS H H 107 7.946 7.946 7.395 0.551 19586 500 1 . 1 1 108 108 VAL N N 108 119.160 119.160 120.052 -0.892 19586 501 1 . 1 1 108 108 VAL HA H 108 3.442 3.442 3.721 -0.279 19586 502 1 . 1 1 108 108 VAL CA C 108 64.285 64.285 65.957 -1.672 19586 503 1 . 1 1 108 108 VAL CB C 108 28.908 28.908 31.795 -2.887 19586 504 1 . 1 1 108 108 VAL H H 108 7.736 7.736 8.722 -0.986 19586 505 1 . 1 1 109 109 MET N N 109 115.333 115.333 117.955 -2.622 19586 506 1 . 1 1 109 109 MET HA H 109 4.139 4.139 4.035 0.104 19586 507 1 . 1 1 109 109 MET CA C 109 54.686 54.686 58.139 -3.453 19586 508 1 . 1 1 109 109 MET CB C 109 29.706 29.706 31.531 -1.825 19586 509 1 . 1 1 109 109 MET H H 109 8.074 8.074 8.370 -0.296 19586 510 1 . 1 1 110 110 THR N N 110 116.714 116.714 114.229 2.485 19586 511 1 . 1 1 110 110 THR HA H 110 3.935 3.935 4.111 -0.175 19586 512 1 . 1 1 110 110 THR CA C 110 63.845 63.845 66.050 -2.205 19586 513 1 . 1 1 110 110 THR CB C 110 66.072 66.072 68.374 -2.302 19586 514 1 . 1 1 110 110 THR H H 110 8.515 8.515 7.700 0.815 19586 515 1 . 1 1 111 111 ASN N N 111 123.784 123.784 119.590 4.194 19586 516 1 . 1 1 111 111 ASN HA H 111 4.242 4.242 4.579 -0.337 19586 517 1 . 1 1 111 111 ASN CA C 111 53.093 53.093 55.124 -2.031 19586 518 1 . 1 1 111 111 ASN CB C 111 35.292 35.292 38.316 -3.025 19586 519 1 . 1 1 111 111 ASN H H 111 7.890 7.890 7.713 0.177 19586 520 1 . 1 1 112 112 LEU N N 112 118.227 118.227 117.117 1.110 19586 521 1 . 1 1 112 112 LEU HA H 112 4.115 4.115 4.338 -0.223 19586 522 1 . 1 1 112 112 LEU CA C 112 52.653 52.653 54.878 -2.225 19586 523 1 . 1 1 112 112 LEU CB C 112 39.738 39.738 41.563 -1.825 19586 524 1 . 1 1 112 112 LEU H H 112 7.621 7.621 7.383 0.238 19586 525 1 . 1 1 113 113 GLY N N 113 106.787 106.787 105.600 1.187 19586 526 1 . 1 1 113 113 GLY CA C 113 42.536 42.536 44.986 -2.450 19586 527 1 . 1 1 113 113 GLY H H 113 7.701 7.701 7.499 0.202 19586 528 1 . 1 1 114 114 GLU N N 114 120.288 120.288 119.196 1.092 19586 529 1 . 1 1 114 114 GLU HA H 114 4.242 4.242 4.520 -0.278 19586 530 1 . 1 1 114 114 GLU CA C 114 52.067 52.067 53.773 -1.706 19586 531 1 . 1 1 114 114 GLU CB C 114 26.616 26.616 30.154 -3.538 19586 532 1 . 1 1 114 114 GLU H H 114 7.864 7.864 7.831 0.033 19586 533 1 . 1 1 115 115 LYS N N 115 124.987 124.987 125.845 -0.858 19586 534 1 . 1 1 115 115 LYS HA H 115 4.223 4.223 4.227 -0.004 19586 535 1 . 1 1 115 115 LYS CA C 115 52.848 52.848 56.537 -3.690 19586 536 1 . 1 1 115 115 LYS CB C 115 30.957 30.957 31.427 -0.470 19586 537 1 . 1 1 115 115 LYS H H 115 8.491 8.491 8.454 0.037 19586 538 1 . 1 1 116 116 LEU N N 116 124.912 124.912 122.670 2.242 19586 539 1 . 1 1 116 116 LEU HA H 116 4.712 4.712 4.745 -0.033 19586 540 1 . 1 1 116 116 LEU CA C 116 51.089 51.089 53.084 -1.995 19586 541 1 . 1 1 116 116 LEU CB C 116 42.588 42.588 44.108 -1.520 19586 542 1 . 1 1 116 116 LEU H H 116 7.978 7.978 7.788 0.190 19586 543 1 . 1 1 117 117 THR N N 117 114.220 114.220 113.540 0.680 19586 544 1 . 1 1 117 117 THR HA H 117 4.302 4.302 4.403 -0.101 19586 545 1 . 1 1 117 117 THR CA C 117 57.834 57.834 60.596 -2.762 19586 546 1 . 1 1 117 117 THR CB C 117 68.580 68.580 70.420 -1.840 19586 547 1 . 1 1 117 117 THR H H 117 9.093 9.093 8.083 1.010 19586 548 1 . 1 1 118 118 ASP N N 118 120.925 120.925 121.228 -0.303 19586 549 1 . 1 1 118 118 ASP HA H 118 4.058 4.058 4.257 -0.199 19586 550 1 . 1 1 118 118 ASP CA C 118 55.243 55.243 58.036 -2.793 19586 551 1 . 1 1 118 118 ASP CB C 118 37.002 37.002 40.851 -3.849 19586 552 1 . 1 1 118 118 ASP H H 118 8.764 8.764 8.677 0.087 19586 553 1 . 1 1 119 119 GLU N N 119 119.395 119.395 118.030 1.365 19586 554 1 . 1 1 119 119 GLU HA H 119 3.927 3.927 3.988 -0.061 19586 555 1 . 1 1 119 119 GLU CA C 119 57.149 57.149 59.215 -2.066 19586 556 1 . 1 1 119 119 GLU CB C 119 25.931 25.931 28.914 -2.983 19586 557 1 . 1 1 119 119 GLU H H 119 8.509 8.509 8.704 -0.195 19586 558 1 . 1 1 120 120 GLU N N 120 119.909 119.909 118.790 1.119 19586 559 1 . 1 1 120 120 GLU HA H 120 3.896 3.896 4.177 -0.281 19586 560 1 . 1 1 120 120 GLU CA C 120 56.319 56.319 58.519 -2.200 19586 561 1 . 1 1 120 120 GLU CB C 120 25.830 25.830 29.755 -3.925 19586 562 1 . 1 1 120 120 GLU H H 120 7.585 7.585 7.718 -0.133 19586 563 1 . 1 1 121 121 VAL N N 121 122.092 122.092 117.139 4.953 19586 564 1 . 1 1 121 121 VAL HA H 121 3.442 3.442 3.892 -0.450 19586 565 1 . 1 1 121 121 VAL CA C 121 64.090 64.090 64.988 -0.898 19586 566 1 . 1 1 121 121 VAL CB C 121 28.680 28.680 31.399 -2.720 19586 567 1 . 1 1 121 121 VAL H H 121 7.849 7.849 7.235 0.614 19586 568 1 . 1 1 122 122 ASP N N 122 120.167 120.167 121.110 -0.943 19586 569 1 . 1 1 122 122 ASP HA H 122 4.157 4.157 4.294 -0.137 19586 570 1 . 1 1 122 122 ASP CA C 122 54.901 54.901 58.320 -3.419 19586 571 1 . 1 1 122 122 ASP CB C 122 37.572 37.572 40.880 -3.308 19586 572 1 . 1 1 122 122 ASP H H 122 7.912 7.912 8.702 -0.790 19586 573 1 . 1 1 123 123 GLU N N 123 119.087 119.087 118.343 0.744 19586 574 1 . 1 1 123 123 GLU HA H 123 3.896 3.896 4.122 -0.226 19586 575 1 . 1 1 123 123 GLU CA C 123 56.612 56.612 58.931 -2.319 19586 576 1 . 1 1 123 123 GLU CB C 123 26.172 26.172 29.576 -3.404 19586 577 1 . 1 1 123 123 GLU H H 123 7.839 7.839 7.734 0.105 19586 578 1 . 1 1 124 124 MET N N 124 118.897 118.897 117.642 1.255 19586 579 1 . 1 1 124 124 MET HA H 124 3.867 3.867 4.292 -0.425 19586 580 1 . 1 1 124 124 MET CA C 124 56.905 56.905 58.758 -1.853 19586 581 1 . 1 1 124 124 MET CB C 124 29.250 29.250 33.120 -3.870 19586 582 1 . 1 1 124 124 MET H H 124 7.433 7.433 7.410 0.023 19586 583 1 . 1 1 125 125 ILE N N 125 118.001 118.001 114.596 3.405 19586 584 1 . 1 1 125 125 ILE HA H 125 3.380 3.380 4.117 -0.737 19586 585 1 . 1 1 125 125 ILE CA C 125 60.131 60.131 63.276 -3.145 19586 586 1 . 1 1 125 125 ILE CB C 125 33.240 33.240 37.989 -4.749 19586 587 1 . 1 1 125 125 ILE H H 125 7.658 7.658 8.307 -0.649 19586 588 1 . 1 1 126 126 ARG N N 126 117.720 117.720 120.035 -2.315 19586 589 1 . 1 1 126 126 ARG HA H 126 3.883 3.883 4.054 -0.171 19586 590 1 . 1 1 126 126 ARG CA C 126 56.673 56.673 59.479 -2.806 19586 591 1 . 1 1 126 126 ARG CB C 126 29.478 29.478 30.199 -0.721 19586 592 1 . 1 1 126 126 ARG H H 126 7.974 7.974 8.231 -0.257 19586 593 1 . 1 1 127 127 GLU N N 127 117.050 117.050 116.896 0.154 19586 594 1 . 1 1 127 127 GLU HA H 127 3.967 3.967 4.221 -0.254 19586 595 1 . 1 1 127 127 GLU CA C 127 56.319 56.319 58.164 -1.845 19586 596 1 . 1 1 127 127 GLU CB C 127 26.286 26.286 29.718 -3.432 19586 597 1 . 1 1 127 127 GLU H H 127 7.635 7.635 7.670 -0.035 19586 598 1 . 1 1 128 128 ALA N N 128 116.966 116.966 119.891 -2.925 19586 599 1 . 1 1 128 128 ALA HA H 128 4.500 4.500 4.367 0.133 19586 600 1 . 1 1 128 128 ALA CA C 128 48.205 48.205 52.407 -4.202 19586 601 1 . 1 1 128 128 ALA CB C 128 20.105 20.105 20.018 0.087 19586 602 1 . 1 1 128 128 ALA H H 128 7.155 7.155 7.408 -0.253 19586 603 1 . 1 1 129 129 ASP N N 129 118.033 118.033 119.236 -1.203 19586 604 1 . 1 1 129 129 ASP HA H 129 4.351 4.351 4.911 -0.560 19586 605 1 . 1 1 129 129 ASP CA C 129 51.822 51.822 53.132 -1.309 19586 606 1 . 1 1 129 129 ASP CB C 129 37.686 37.686 41.939 -4.253 19586 607 1 . 1 1 129 129 ASP H H 129 7.806 7.806 7.659 0.147 19586 608 1 . 1 1 130 130 ILE N N 130 127.927 127.927 121.766 6.161 19586 609 1 . 1 1 130 130 ILE HA H 130 3.797 3.797 4.145 -0.348 19586 610 1 . 1 1 130 130 ILE CA C 130 60.522 60.522 62.794 -2.272 19586 611 1 . 1 1 130 130 ILE CB C 130 36.090 36.090 38.150 -2.060 19586 612 1 . 1 1 130 130 ILE H H 130 8.115 8.115 8.510 -0.395 19586 613 1 . 1 1 131 131 ASP N N 131 116.634 116.634 119.593 -2.959 19586 614 1 . 1 1 131 131 ASP HA H 131 4.343 4.343 4.706 -0.363 19586 615 1 . 1 1 131 131 ASP CA C 131 51.187 51.187 53.654 -2.467 19586 616 1 . 1 1 131 131 ASP CB C 131 37.468 37.468 41.313 -3.845 19586 617 1 . 1 1 131 131 ASP H H 131 8.202 8.202 7.942 0.260 19586 618 1 . 1 1 132 132 GLY N N 132 108.586 108.586 108.952 -0.366 19586 619 1 . 1 1 132 132 GLY CA C 132 44.638 44.638 45.947 -1.309 19586 620 1 . 1 1 132 132 GLY H H 132 7.535 7.535 7.545 -0.010 19586 621 1 . 1 1 133 133 ASP N N 133 120.377 120.377 120.138 0.239 19586 622 1 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.593 -0.242 19586 623 1 . 1 1 133 133 ASP CA C 133 50.942 50.942 54.504 -3.562 19586 624 1 . 1 1 133 133 ASP CB C 133 37.458 37.458 41.300 -3.842 19586 625 1 . 1 1 133 133 ASP H H 133 8.215 8.215 8.784 -0.569 19586 626 1 . 1 1 134 134 GLY N N 134 112.226 112.226 107.155 5.071 19586 627 1 . 1 1 134 134 GLY CA C 134 43.122 43.122 45.341 -2.219 19586 628 1 . 1 1 134 134 GLY H H 134 9.971 9.971 8.531 1.439 19586 629 1 . 1 1 135 135 GLN N N 135 115.229 115.229 117.068 -1.839 19586 630 1 . 1 1 135 135 GLN HA H 135 4.131 4.131 4.879 -0.748 19586 631 1 . 1 1 135 135 GLN CA C 135 50.454 50.454 54.585 -4.131 19586 632 1 . 1 1 135 135 GLN CB C 135 30.614 30.614 34.078 -3.464 19586 633 1 . 1 1 135 135 GLN H H 135 7.835 7.835 7.589 0.246 19586 634 1 . 1 1 136 136 VAL N N 136 125.238 125.238 121.609 3.629 19586 635 1 . 1 1 136 136 VAL HA H 136 5.096 5.096 4.412 0.684 19586 636 1 . 1 1 136 136 VAL CA C 136 58.713 58.713 60.692 -1.979 19586 637 1 . 1 1 136 136 VAL CB C 136 31.416 31.416 32.902 -1.486 19586 638 1 . 1 1 136 136 VAL H H 136 8.958 8.958 8.986 -0.027 19586 639 1 . 1 1 137 137 ASN N N 137 129.058 129.058 125.871 3.187 19586 640 1 . 1 1 137 137 ASN HA H 137 5.226 5.226 4.912 0.314 19586 641 1 . 1 1 137 137 ASN CA C 137 48.352 48.352 52.282 -3.930 19586 642 1 . 1 1 137 137 ASN CB C 137 35.640 35.640 39.432 -3.792 19586 643 1 . 1 1 137 137 ASN H H 137 9.435 9.435 8.618 0.817 19586 644 1 . 1 1 138 138 TYR N N 138 118.627 118.627 118.971 -0.344 19586 645 1 . 1 1 138 138 TYR HA H 138 3.192 3.192 4.426 -1.234 19586 646 1 . 1 1 138 138 TYR CA C 138 59.669 59.669 61.301 -1.632 19586 647 1 . 1 1 138 138 TYR CB C 138 37.572 37.572 38.040 -0.468 19586 648 1 . 1 1 138 138 TYR H H 138 8.146 8.146 8.011 0.135 19586 649 1 . 1 1 139 139 GLU N N 139 118.701 118.701 118.889 -0.188 19586 650 1 . 1 1 139 139 GLU HA H 139 3.511 3.511 4.007 -0.496 19586 651 1 . 1 1 139 139 GLU CA C 139 57.540 57.540 59.254 -1.714 19586 652 1 . 1 1 139 139 GLU CB C 139 26.274 26.274 28.969 -2.695 19586 653 1 . 1 1 139 139 GLU H H 139 7.974 7.974 8.077 -0.103 19586 654 1 . 1 1 140 140 GLU N N 140 119.774 119.774 119.235 0.539 19586 655 1 . 1 1 140 140 GLU HA H 140 3.911 3.911 4.152 -0.241 19586 656 1 . 1 1 140 140 GLU CA C 140 56.025 56.025 58.825 -2.800 19586 657 1 . 1 1 140 140 GLU CB C 140 26.274 26.274 29.605 -3.331 19586 658 1 . 1 1 140 140 GLU H H 140 8.676 8.676 7.868 0.808 19586 659 1 . 1 1 141 141 PHE N N 141 124.074 124.074 120.139 3.935 19586 660 1 . 1 1 141 141 PHE HA H 141 3.647 3.647 4.111 -0.464 19586 661 1 . 1 1 141 141 PHE CA C 141 59.447 59.447 60.730 -1.283 19586 662 1 . 1 1 141 141 PHE CB C 141 37.686 37.686 39.030 -1.344 19586 663 1 . 1 1 141 141 PHE H H 141 8.507 8.507 7.570 0.937 19586 664 1 . 1 1 142 142 VAL N N 142 119.203 119.203 115.999 3.204 19586 665 1 . 1 1 142 142 VAL HA H 142 2.958 2.958 3.336 -0.378 19586 666 1 . 1 1 142 142 VAL CA C 142 64.432 64.432 65.422 -0.990 19586 667 1 . 1 1 142 142 VAL CB C 142 28.908 28.908 30.889 -1.981 19586 668 1 . 1 1 142 142 VAL H H 142 8.639 8.639 7.361 1.278 19586 669 1 . 1 1 143 143 GLN N N 143 120.173 120.173 119.857 0.316 19586 670 1 . 1 1 143 143 GLN HA H 143 3.671 3.671 3.977 -0.306 19586 671 1 . 1 1 143 143 GLN CA C 143 56.514 56.514 58.724 -2.210 19586 672 1 . 1 1 143 143 GLN CB C 143 25.246 25.246 28.440 -3.194 19586 673 1 . 1 1 143 143 GLN H H 143 7.818 7.818 7.585 0.233 19586 674 1 . 1 1 144 144 MET N N 144 118.573 118.573 115.855 2.718 19586 675 1 . 1 1 144 144 MET HA H 144 3.882 3.882 4.293 -0.411 19586 676 1 . 1 1 144 144 MET CA C 144 55.683 55.683 57.022 -1.339 19586 677 1 . 1 1 144 144 MET CB C 144 28.110 28.110 32.586 -4.476 19586 678 1 . 1 1 144 144 MET H H 144 7.403 7.403 7.684 -0.281 19586 679 1 . 1 1 145 145 MET N N 145 114.053 114.053 117.605 -3.552 19586 680 1 . 1 1 145 145 MET HA H 145 3.940 3.940 4.269 -0.329 19586 681 1 . 1 1 145 145 MET CA C 145 53.630 53.630 57.791 -4.161 19586 682 1 . 1 1 145 145 MET CB C 145 29.592 29.592 32.369 -2.777 19586 683 1 . 1 1 145 145 MET H H 145 7.534 7.534 7.344 0.190 19586 684 1 . 1 1 146 146 THR N N 146 109.275 109.275 115.043 -5.768 19586 685 1 . 1 1 146 146 THR HA H 146 4.175 4.175 4.121 0.054 19586 686 1 . 1 1 146 146 THR CA C 146 59.251 59.251 64.284 -5.033 19586 687 1 . 1 1 146 146 THR CB C 146 67.896 67.896 69.120 -1.224 19586 688 1 . 1 1 146 146 THR H H 146 7.554 7.554 7.810 -0.256 19586 689 1 . 1 1 147 147 ALA N N 147 126.913 126.913 122.671 4.242 19586 690 1 . 1 1 147 147 ALA HA H 147 4.117 4.117 4.570 -0.453 19586 691 1 . 1 1 147 147 ALA CA C 147 50.307 50.307 51.036 -0.729 19586 692 1 . 1 1 147 147 ALA CB C 147 16.336 16.336 19.966 -3.630 19586 693 1 . 1 1 147 147 ALA H H 147 7.406 7.406 7.364 0.042 19586 stop_ save_