data_19954 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19954 _Entry.PDB_ID 2MOW 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 19954 _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 4 4 ASP HA H 4 4.315 4.315 4.775 -0.460 19954 2 1 1 . 1 1 4 4 ASP CA C 4 51.714 51.714 53.500 -1.786 19954 3 1 1 . 1 1 5 5 ASP N N 5 120.880 120.880 122.347 -1.467 19954 4 1 1 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.344 0.110 19954 5 1 1 . 1 1 5 5 ASP CA C 5 52.575 52.575 55.057 -2.482 19954 6 1 1 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.047 -2.323 19954 7 1 1 . 1 1 5 5 ASP H H 5 8.277 8.277 8.811 -0.534 19954 8 1 1 . 1 1 6 6 ASP N N 6 120.876 120.876 117.510 3.366 19954 9 1 1 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.520 -0.038 19954 10 1 1 . 1 1 6 6 ASP CA C 6 52.962 52.962 54.803 -1.841 19954 11 1 1 . 1 1 6 6 ASP CB C 6 38.558 38.558 41.949 -3.391 19954 12 1 1 . 1 1 6 6 ASP H H 6 8.497 8.497 8.003 0.494 19954 13 1 1 . 1 1 7 7 PHE N N 7 122.789 122.789 120.833 1.956 19954 14 1 1 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.266 -0.157 19954 15 1 1 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.770 -1.900 19954 16 1 1 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.201 -2.534 19954 17 1 1 . 1 1 7 7 PHE H H 7 8.337 8.337 8.567 -0.230 19954 18 1 1 . 1 1 8 8 GLN N N 8 116.255 116.255 118.952 -2.697 19954 19 1 1 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.823 -0.074 19954 20 1 1 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.978 -4.252 19954 21 1 1 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.059 -3.272 19954 22 1 1 . 1 1 8 8 GLN H H 8 8.488 8.488 8.751 -0.263 19954 23 1 1 . 1 1 9 9 ASN N N 9 118.242 118.242 118.310 -0.068 19954 24 1 1 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.312 0.002 19954 25 1 1 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.378 -2.803 19954 26 1 1 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.452 -2.199 19954 27 1 1 . 1 1 9 9 ASN H H 9 7.801 7.801 7.686 0.116 19954 28 1 1 . 1 1 10 10 PHE N N 10 124.982 124.982 121.323 3.659 19954 29 1 1 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.667 -0.213 19954 30 1 1 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.261 -2.267 19954 31 1 1 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.126 -3.091 19954 32 1 1 . 1 1 10 10 PHE H H 10 6.924 6.924 6.899 0.025 19954 33 1 1 . 1 1 11 11 VAL N N 11 118.513 118.513 118.926 -0.413 19954 34 1 1 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.123 -0.289 19954 35 1 1 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.433 -2.201 19954 36 1 1 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.125 -1.047 19954 37 1 1 . 1 1 11 11 VAL H H 11 7.448 7.448 7.714 -0.266 19954 38 1 1 . 1 1 12 12 ALA N N 12 119.214 119.214 121.021 -1.807 19954 39 1 1 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.821 0.063 19954 40 1 1 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.643 -3.217 19954 41 1 1 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.863 -2.213 19954 42 1 1 . 1 1 12 12 ALA H H 12 8.028 8.028 8.453 -0.425 19954 43 1 1 . 1 1 13 13 THR N N 13 116.435 116.435 115.864 0.571 19954 44 1 1 . 1 1 13 13 THR HA H 13 3.624 3.624 3.848 -0.224 19954 45 1 1 . 1 1 13 13 THR CA C 13 64.041 64.041 66.132 -2.091 19954 46 1 1 . 1 1 13 13 THR CB C 13 65.118 65.118 68.238 -3.120 19954 47 1 1 . 1 1 13 13 THR H H 13 7.638 7.638 7.809 -0.171 19954 48 1 1 . 1 1 14 14 LEU N N 14 126.284 126.284 121.825 4.459 19954 49 1 1 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.585 0.045 19954 50 1 1 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.970 -2.483 19954 51 1 1 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.370 -2.518 19954 52 1 1 . 1 1 14 14 LEU H H 14 7.975 7.975 7.475 0.500 19954 53 1 1 . 1 1 15 15 GLU N N 15 116.145 116.145 118.245 -2.100 19954 54 1 1 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.900 -0.083 19954 55 1 1 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.721 -3.327 19954 56 1 1 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.033 -2.125 19954 57 1 1 . 1 1 15 15 GLU H H 15 8.503 8.503 8.534 -0.031 19954 58 1 1 . 1 1 16 16 SER N N 16 114.452 114.452 114.547 -0.095 19954 59 1 1 . 1 1 16 16 SER HA H 16 4.196 4.196 4.218 -0.022 19954 60 1 1 . 1 1 16 16 SER CA C 16 58.515 58.515 61.182 -2.667 19954 61 1 1 . 1 1 16 16 SER CB C 16 60.155 60.155 62.861 -2.706 19954 62 1 1 . 1 1 16 16 SER H H 16 7.643 7.643 8.022 -0.379 19954 63 1 1 . 1 1 17 17 PHE N N 17 124.020 124.020 121.855 2.165 19954 64 1 1 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.127 -0.303 19954 65 1 1 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.783 -1.448 19954 66 1 1 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.846 -1.992 19954 67 1 1 . 1 1 17 17 PHE H H 17 8.082 8.082 7.948 0.134 19954 68 1 1 . 1 1 18 18 LYS N N 18 116.570 116.570 118.083 -1.513 19954 69 1 1 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.008 -0.061 19954 70 1 1 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.026 -2.171 19954 71 1 1 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.883 -2.431 19954 72 1 1 . 1 1 18 18 LYS H H 18 7.849 7.849 7.851 -0.002 19954 73 1 1 . 1 1 19 19 ASP N N 19 116.332 116.332 119.366 -3.034 19954 74 1 1 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.486 0.053 19954 75 1 1 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.896 -3.739 19954 76 1 1 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.364 -2.661 19954 77 1 1 . 1 1 19 19 ASP H H 19 7.276 7.276 7.691 -0.415 19954 78 1 1 . 1 1 20 20 LEU N N 20 119.769 119.769 118.758 1.011 19954 79 1 1 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.283 0.116 19954 80 1 1 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.852 -3.853 19954 81 1 1 . 1 1 20 20 LEU H H 20 7.226 7.226 7.438 -0.212 19954 82 1 1 . 1 1 21 21 LYS N N 21 126.041 126.041 120.047 5.994 19954 83 1 1 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.480 -0.417 19954 84 1 1 . 1 1 21 21 LYS CA C 21 56.849 56.849 55.303 1.546 19954 85 1 1 . 1 1 21 21 LYS CB C 21 31.634 31.634 30.238 1.395 19954 86 1 1 . 1 1 21 21 LYS H H 21 9.203 9.203 8.423 0.780 19954 87 1 1 . 1 1 22 22 SER N N 22 109.885 109.885 114.747 -4.862 19954 88 1 1 . 1 1 22 22 SER HA H 22 4.322 4.322 4.126 0.196 19954 89 1 1 . 1 1 22 22 SER CA C 22 55.254 55.254 58.896 -3.642 19954 90 1 1 . 1 1 22 22 SER CB C 22 62.254 62.254 62.672 -0.418 19954 91 1 1 . 1 1 22 22 SER H H 22 8.607 8.607 8.212 0.395 19954 92 1 1 . 1 1 23 23 GLY N N 23 106.286 106.286 108.711 -2.425 19954 93 1 1 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.991 -1.011 19954 94 1 1 . 1 1 23 23 GLY H H 23 6.619 6.619 8.425 -1.806 19954 95 1 1 . 1 1 24 24 ILE N N 24 118.883 118.883 118.962 -0.079 19954 96 1 1 . 1 1 24 24 ILE HA H 24 3.984 3.984 2.888 1.096 19954 97 1 1 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.996 -1.829 19954 98 1 1 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.115 2.531 19954 99 1 1 . 1 1 24 24 ILE H H 24 7.929 7.929 7.893 0.036 19954 100 1 1 . 1 1 25 25 SER N N 25 117.952 117.952 118.336 -0.384 19954 101 1 1 . 1 1 25 25 SER HA H 25 5.093 5.093 4.619 0.474 19954 102 1 1 . 1 1 25 25 SER CA C 25 52.534 52.534 57.720 -5.186 19954 103 1 1 . 1 1 25 25 SER CB C 25 61.938 61.938 64.407 -2.469 19954 104 1 1 . 1 1 25 25 SER H H 25 5.660 5.660 8.150 -2.490 19954 105 1 1 . 1 1 26 26 GLY N N 26 120.266 120.266 114.013 6.253 19954 106 1 1 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.316 -1.829 19954 107 1 1 . 1 1 26 26 GLY H H 26 8.596 8.596 9.092 -0.496 19954 108 1 1 . 1 1 27 27 SER N N 27 120.500 120.500 117.030 3.470 19954 109 1 1 . 1 1 27 27 SER HA H 27 4.410 4.410 4.162 0.248 19954 110 1 1 . 1 1 27 27 SER CA C 27 58.793 58.793 61.750 -2.957 19954 111 1 1 . 1 1 27 27 SER CB C 27 62.224 62.224 62.936 -0.712 19954 112 1 1 . 1 1 27 27 SER H H 27 9.846 9.846 8.285 1.561 19954 113 1 1 . 1 1 28 28 ARG N N 28 123.779 123.779 120.279 3.500 19954 114 1 1 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.930 -0.045 19954 115 1 1 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.063 -2.223 19954 116 1 1 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.446 -1.332 19954 117 1 1 . 1 1 28 28 ARG H H 28 8.034 8.034 7.564 0.470 19954 118 1 1 . 1 1 29 29 ILE N N 29 120.700 120.700 119.851 0.849 19954 119 1 1 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.285 0.187 19954 120 1 1 . 1 1 29 29 ILE CA C 29 64.629 64.629 64.998 -0.369 19954 121 1 1 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.255 -1.587 19954 122 1 1 . 1 1 29 29 ILE H H 29 8.374 8.374 7.264 1.110 19954 123 1 1 . 1 1 30 30 LYS N N 30 124.209 124.209 120.371 3.838 19954 124 1 1 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.854 0.174 19954 125 1 1 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.102 -2.701 19954 126 1 1 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.214 -2.934 19954 127 1 1 . 1 1 30 30 LYS H H 30 8.231 8.231 8.011 0.220 19954 128 1 1 . 1 1 31 31 LYS N N 31 120.422 120.422 118.906 1.516 19954 129 1 1 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.049 -0.011 19954 130 1 1 . 1 1 31 31 LYS CA C 31 57.618 57.618 58.935 -1.317 19954 131 1 1 . 1 1 31 31 LYS CB C 31 30.169 30.169 31.993 -1.824 19954 132 1 1 . 1 1 31 31 LYS H H 31 7.449 7.449 7.753 -0.304 19954 133 1 1 . 1 1 32 32 LEU N N 32 118.348 118.348 118.890 -0.542 19954 134 1 1 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.142 -0.081 19954 135 1 1 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.597 -3.187 19954 136 1 1 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.424 -1.642 19954 137 1 1 . 1 1 32 32 LEU H H 32 8.186 8.186 7.963 0.223 19954 138 1 1 . 1 1 33 33 THR N N 33 116.500 116.500 115.842 0.658 19954 139 1 1 . 1 1 33 33 THR HA H 33 3.662 3.662 3.941 -0.279 19954 140 1 1 . 1 1 33 33 THR CA C 33 64.726 64.726 67.615 -2.889 19954 141 1 1 . 1 1 33 33 THR CB C 33 66.097 66.097 68.468 -2.371 19954 142 1 1 . 1 1 33 33 THR H H 33 8.066 8.066 8.356 -0.290 19954 143 1 1 . 1 1 34 34 THR N N 34 119.029 119.029 117.725 1.304 19954 144 1 1 . 1 1 34 34 THR HA H 34 3.759 3.759 3.926 -0.167 19954 145 1 1 . 1 1 34 34 THR CA C 34 64.291 64.291 66.512 -2.221 19954 146 1 1 . 1 1 34 34 THR CB C 34 66.733 66.733 69.020 -2.287 19954 147 1 1 . 1 1 34 34 THR H H 34 8.685 8.685 8.110 0.575 19954 148 1 1 . 1 1 35 35 TYR N N 35 120.298 120.298 122.068 -1.770 19954 149 1 1 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.164 0.038 19954 150 1 1 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.667 -1.514 19954 151 1 1 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.290 -2.280 19954 152 1 1 . 1 1 35 35 TYR H H 35 7.663 7.663 8.191 -0.528 19954 153 1 1 . 1 1 36 36 ALA N N 36 121.480 121.480 122.198 -0.718 19954 154 1 1 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.918 -0.007 19954 155 1 1 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.037 -1.901 19954 156 1 1 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.386 -3.513 19954 157 1 1 . 1 1 36 36 ALA H H 36 8.543 8.543 8.549 -0.006 19954 158 1 1 . 1 1 37 37 LEU N N 37 120.767 120.767 119.061 1.706 19954 159 1 1 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.956 0.147 19954 160 1 1 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.511 -3.671 19954 161 1 1 . 1 1 37 37 LEU CB C 37 40.182 40.182 42.017 -1.835 19954 162 1 1 . 1 1 37 37 LEU H H 37 8.351 8.351 8.192 0.159 19954 163 1 1 . 1 1 38 38 ASP N N 38 119.008 119.008 116.990 2.018 19954 164 1 1 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.257 0.199 19954 165 1 1 . 1 1 38 38 ASP CA C 38 52.140 52.140 55.745 -3.605 19954 166 1 1 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.069 -2.170 19954 167 1 1 . 1 1 38 38 ASP H H 38 7.557 7.557 8.043 -0.486 19954 168 1 1 . 1 1 39 39 HIS N N 39 118.142 118.142 117.211 0.931 19954 169 1 1 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.629 -0.004 19954 170 1 1 . 1 1 39 39 HIS CA C 39 52.146 52.146 55.088 -2.942 19954 171 1 1 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.921 -4.415 19954 172 1 1 . 1 1 39 39 HIS H H 39 7.094 7.094 7.505 -0.411 19954 173 1 1 . 1 1 40 40 ILE N N 40 121.885 121.885 122.429 -0.544 19954 174 1 1 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.847 -0.421 19954 175 1 1 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.121 1.472 19954 176 1 1 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.392 -1.219 19954 177 1 1 . 1 1 40 40 ILE H H 40 7.630 7.630 8.187 -0.557 19954 178 1 1 . 1 1 41 41 ASP N N 41 114.814 114.814 118.003 -3.189 19954 179 1 1 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.561 -0.374 19954 180 1 1 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.296 -0.280 19954 181 1 1 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.450 -3.614 19954 182 1 1 . 1 1 41 41 ASP H H 41 8.433 8.433 8.471 -0.038 19954 183 1 1 . 1 1 42 42 ILE N N 42 113.793 113.793 112.340 1.453 19954 184 1 1 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.555 0.157 19954 185 1 1 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.361 -2.120 19954 186 1 1 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.261 -3.365 19954 187 1 1 . 1 1 42 42 ILE H H 42 7.447 7.447 7.243 0.204 19954 188 1 1 . 1 1 43 43 GLU N N 43 120.845 120.845 122.796 -1.951 19954 189 1 1 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.104 -0.058 19954 190 1 1 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.598 -2.830 19954 191 1 1 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.822 -4.805 19954 192 1 1 . 1 1 43 43 GLU H H 43 8.195 8.195 8.004 0.191 19954 193 1 1 . 1 1 44 44 SER N N 44 113.781 113.781 116.322 -2.541 19954 194 1 1 . 1 1 44 44 SER HA H 44 3.944 3.944 4.105 -0.161 19954 195 1 1 . 1 1 44 44 SER CA C 44 59.590 59.590 62.154 -2.563 19954 196 1 1 . 1 1 44 44 SER CB C 44 59.878 59.878 62.883 -3.005 19954 197 1 1 . 1 1 44 44 SER H H 44 8.728 8.728 8.501 0.227 19954 198 1 1 . 1 1 45 45 LYS N N 45 121.258 121.258 120.131 1.127 19954 199 1 1 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.014 0.065 19954 200 1 1 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.916 -2.727 19954 201 1 1 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.490 -1.013 19954 202 1 1 . 1 1 45 45 LYS H H 45 7.329 7.329 8.336 -1.007 19954 203 1 1 . 1 1 46 46 ILE N N 46 121.022 121.022 121.579 -0.557 19954 204 1 1 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.698 -0.335 19954 205 1 1 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.017 -1.760 19954 206 1 1 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.642 -0.750 19954 207 1 1 . 1 1 46 46 ILE H H 46 7.360 7.360 7.838 -0.478 19954 208 1 1 . 1 1 47 47 ILE N N 47 118.543 118.543 119.292 -0.749 19954 209 1 1 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.627 0.112 19954 210 1 1 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.145 -5.488 19954 211 1 1 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.477 -4.349 19954 212 1 1 . 1 1 47 47 ILE H H 47 9.378 9.378 8.134 1.244 19954 213 1 1 . 1 1 48 48 SER N N 48 113.001 113.001 115.599 -2.598 19954 214 1 1 . 1 1 48 48 SER HA H 48 4.016 4.016 4.136 -0.120 19954 215 1 1 . 1 1 48 48 SER CA C 48 59.574 59.574 62.373 -2.799 19954 216 1 1 . 1 1 48 48 SER CB C 48 60.341 60.341 63.124 -2.783 19954 217 1 1 . 1 1 48 48 SER H H 48 7.382 7.382 8.563 -1.181 19954 218 1 1 . 1 1 49 49 LEU N N 49 120.059 120.059 123.124 -3.065 19954 219 1 1 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.170 -0.000 19954 220 1 1 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.466 -2.800 19954 221 1 1 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.081 -2.331 19954 222 1 1 . 1 1 49 49 LEU H H 49 7.477 7.477 8.297 -0.820 19954 223 1 1 . 1 1 50 50 ILE N N 50 115.429 115.429 117.608 -2.179 19954 224 1 1 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.625 0.468 19954 225 1 1 . 1 1 50 50 ILE CA C 50 62.804 62.804 64.823 -2.019 19954 226 1 1 . 1 1 50 50 ILE H H 50 8.081 8.081 7.866 0.215 19954 227 1 1 . 1 1 51 51 ILE N N 51 125.106 125.106 121.609 3.497 19954 228 1 1 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.556 -0.101 19954 229 1 1 . 1 1 51 51 ILE CA C 51 64.148 64.148 65.964 -1.816 19954 230 1 1 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.597 -1.878 19954 231 1 1 . 1 1 51 51 ILE H H 51 8.194 8.194 8.125 0.069 19954 232 1 1 . 1 1 52 52 ASP N N 52 119.519 119.519 119.658 -0.139 19954 233 1 1 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.352 -0.108 19954 234 1 1 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.932 -2.948 19954 235 1 1 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.798 -2.933 19954 236 1 1 . 1 1 52 52 ASP H H 52 7.850 7.850 8.406 -0.556 19954 237 1 1 . 1 1 53 53 TYR N N 53 118.402 118.402 120.083 -1.681 19954 238 1 1 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.246 -0.354 19954 239 1 1 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.330 -1.585 19954 240 1 1 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.551 -2.687 19954 241 1 1 . 1 1 53 53 TYR H H 53 8.260 8.260 8.714 -0.454 19954 242 1 1 . 1 1 54 54 SER N N 54 111.626 111.626 115.662 -4.036 19954 243 1 1 . 1 1 54 54 SER HA H 54 4.058 4.058 4.343 -0.285 19954 244 1 1 . 1 1 54 54 SER CA C 54 58.733 58.733 61.327 -2.594 19954 245 1 1 . 1 1 54 54 SER CB C 54 62.430 62.430 63.465 -1.035 19954 246 1 1 . 1 1 54 54 SER H H 54 7.316 7.316 8.098 -0.782 19954 247 1 1 . 1 1 55 55 ARG N N 55 114.937 114.937 120.233 -5.296 19954 248 1 1 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.081 0.091 19954 249 1 1 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.863 -1.590 19954 250 1 1 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.384 -1.135 19954 251 1 1 . 1 1 55 55 ARG H H 55 7.901 7.901 7.793 0.108 19954 252 1 1 . 1 1 56 56 LEU N N 56 116.307 116.307 119.344 -3.037 19954 253 1 1 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.983 0.220 19954 254 1 1 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.060 -4.260 19954 255 1 1 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.014 -1.146 19954 256 1 1 . 1 1 56 56 LEU H H 56 7.802 7.802 7.950 -0.148 19954 257 1 1 . 1 1 57 57 CYS N N 57 119.062 119.062 115.513 3.549 19954 258 1 1 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.424 -0.184 19954 259 1 1 . 1 1 57 57 CYS CA C 57 53.750 53.750 57.270 -3.519 19954 260 1 1 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.841 -4.765 19954 261 1 1 . 1 1 57 57 CYS H H 57 7.717 7.717 7.396 0.321 19954 262 1 1 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.426 -0.081 19954 263 1 1 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.490 -2.008 19954 264 1 1 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.490 -2.330 19954 265 1 1 . 1 1 59 59 ASP N N 59 123.671 123.671 119.079 4.592 19954 266 1 1 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.093 -0.175 19954 267 1 1 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.125 -2.311 19954 268 1 1 . 1 1 59 59 ASP CB C 59 36.924 36.924 40.153 -3.229 19954 269 1 1 . 1 1 59 59 ASP H H 59 8.696 8.696 8.888 -0.192 19954 270 1 1 . 1 1 60 60 SER N N 60 110.600 110.600 114.458 -3.858 19954 271 1 1 . 1 1 60 60 SER HA H 60 4.103 4.103 4.020 0.083 19954 272 1 1 . 1 1 60 60 SER CA C 60 57.379 57.379 62.185 -4.806 19954 273 1 1 . 1 1 60 60 SER CB C 60 61.562 61.562 63.155 -1.593 19954 274 1 1 . 1 1 60 60 SER H H 60 8.119 8.119 8.470 -0.351 19954 275 1 1 . 1 1 61 61 HIS N N 61 122.391 122.391 120.530 1.861 19954 276 1 1 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.467 0.166 19954 277 1 1 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.833 -4.119 19954 278 1 1 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.652 0.290 19954 279 1 1 . 1 1 61 61 HIS H H 61 8.123 8.123 8.098 0.025 19954 280 1 1 . 1 1 62 62 LYS N N 62 121.665 121.665 120.157 1.508 19954 281 1 1 . 1 1 62 62 LYS HA H 62 3.695 3.695 4.029 -0.334 19954 282 1 1 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.686 -3.926 19954 283 1 1 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.158 -1.862 19954 284 1 1 . 1 1 62 62 LYS H H 62 7.512 7.512 8.257 -0.745 19954 285 1 1 . 1 1 63 63 LEU N N 63 117.792 117.792 120.118 -2.326 19954 286 1 1 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.862 -0.404 19954 287 1 1 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.636 -1.011 19954 288 1 1 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.445 -3.396 19954 289 1 1 . 1 1 63 63 LEU H H 63 8.136 8.136 8.522 -0.386 19954 290 1 1 . 1 1 64 64 GLY N N 64 105.340 105.340 106.458 -1.118 19954 291 1 1 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.679 -2.132 19954 292 1 1 . 1 1 64 64 GLY H H 64 8.616 8.616 7.965 0.651 19954 293 1 1 . 1 1 65 65 SER N N 65 117.745 117.745 117.936 -0.191 19954 294 1 1 . 1 1 65 65 SER HA H 65 4.265 4.265 4.128 0.137 19954 295 1 1 . 1 1 65 65 SER CA C 65 58.998 58.998 61.774 -2.776 19954 296 1 1 . 1 1 65 65 SER CB C 65 67.350 67.350 63.059 4.291 19954 297 1 1 . 1 1 65 65 SER H H 65 7.894 7.894 8.592 -0.698 19954 298 1 1 . 1 1 66 66 LEU N N 66 124.161 124.161 122.240 1.921 19954 299 1 1 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.915 0.386 19954 300 1 1 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.369 -4.314 19954 301 1 1 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.789 -3.682 19954 302 1 1 . 1 1 66 66 LEU H H 66 7.407 7.407 8.117 -0.710 19954 303 1 1 . 1 1 67 67 TYR N N 67 121.466 121.466 117.562 3.904 19954 304 1 1 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.195 0.349 19954 305 1 1 . 1 1 67 67 TYR CA C 67 53.439 53.439 61.208 -7.769 19954 306 1 1 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.598 -3.417 19954 307 1 1 . 1 1 67 67 TYR H H 67 8.001 8.001 7.662 0.339 19954 308 1 1 . 1 1 68 68 ILE N N 68 121.357 121.357 120.338 1.019 19954 309 1 1 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.541 -0.306 19954 310 1 1 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.082 -1.700 19954 311 1 1 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.824 -1.744 19954 312 1 1 . 1 1 68 68 ILE H H 68 7.811 7.811 7.694 0.117 19954 313 1 1 . 1 1 69 69 ILE N N 69 117.955 117.955 119.571 -1.616 19954 314 1 1 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.532 -0.183 19954 315 1 1 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.938 -2.525 19954 316 1 1 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.532 -1.613 19954 317 1 1 . 1 1 69 69 ILE H H 69 6.886 6.886 8.450 -1.564 19954 318 1 1 . 1 1 70 70 ASP N N 70 118.932 118.932 120.366 -1.434 19954 319 1 1 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.519 -0.123 19954 320 1 1 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.282 -2.247 19954 321 1 1 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.182 0.407 19954 322 1 1 . 1 1 70 70 ASP H H 70 9.100 9.100 8.376 0.724 19954 323 1 1 . 1 1 71 71 SER N N 71 110.354 110.354 115.854 -5.500 19954 324 1 1 . 1 1 71 71 SER HA H 71 4.104 4.104 4.232 -0.128 19954 325 1 1 . 1 1 71 71 SER CA C 71 58.746 58.746 62.107 -3.361 19954 326 1 1 . 1 1 71 71 SER CB C 71 61.136 61.136 63.160 -2.024 19954 327 1 1 . 1 1 71 71 SER H H 71 7.938 7.938 7.776 0.162 19954 328 1 1 . 1 1 72 72 ILE N N 72 117.565 117.565 120.882 -3.317 19954 329 1 1 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.560 -0.295 19954 330 1 1 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.999 -1.350 19954 331 1 1 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.488 -1.724 19954 332 1 1 . 1 1 72 72 ILE H H 72 7.912 7.912 7.865 0.047 19954 333 1 1 . 1 1 73 73 GLY N N 73 107.350 107.350 107.662 -0.312 19954 334 1 1 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.145 -2.398 19954 335 1 1 . 1 1 73 73 GLY H H 73 8.847 8.847 8.638 0.209 19954 336 1 1 . 1 1 74 74 ARG N N 74 118.068 118.068 122.347 -4.279 19954 337 1 1 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.850 0.100 19954 338 1 1 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.726 -0.554 19954 339 1 1 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.112 -2.440 19954 340 1 1 . 1 1 74 74 ARG H H 74 8.705 8.705 8.172 0.533 19954 341 1 1 . 1 1 75 75 ALA N N 75 123.817 123.817 121.974 1.843 19954 342 1 1 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.115 0.101 19954 343 1 1 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.098 -2.236 19954 344 1 1 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.197 -2.796 19954 345 1 1 . 1 1 75 75 ALA H H 75 7.673 7.673 7.867 -0.194 19954 346 1 1 . 1 1 76 76 TYR N N 76 119.918 119.918 119.429 0.489 19954 347 1 1 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.231 0.306 19954 348 1 1 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.059 -4.966 19954 349 1 1 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.582 -3.779 19954 350 1 1 . 1 1 76 76 TYR H H 76 8.659 8.659 8.559 0.100 19954 351 1 1 . 1 1 77 77 LEU N N 77 123.387 123.387 120.192 3.195 19954 352 1 1 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.757 0.057 19954 353 1 1 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.987 -3.812 19954 354 1 1 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.607 -1.733 19954 355 1 1 . 1 1 77 77 LEU H H 77 8.756 8.756 8.670 0.086 19954 356 1 1 . 1 1 78 78 ASP N N 78 120.181 120.181 118.387 1.794 19954 357 1 1 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.250 0.045 19954 358 1 1 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.633 -2.830 19954 359 1 1 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.454 -2.631 19954 360 1 1 . 1 1 78 78 ASP H H 78 7.891 7.891 8.073 -0.182 19954 361 1 1 . 1 1 79 79 GLU N N 79 120.503 120.503 118.897 1.606 19954 362 1 1 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.946 0.072 19954 363 1 1 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.276 -2.802 19954 364 1 1 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.381 -2.177 19954 365 1 1 . 1 1 79 79 GLU H H 79 7.502 7.502 8.198 -0.696 19954 366 1 1 . 1 1 80 80 THR N N 80 111.013 111.013 114.254 -3.241 19954 367 1 1 . 1 1 80 80 THR HA H 80 4.151 4.151 3.955 0.196 19954 368 1 1 . 1 1 80 80 THR CA C 80 61.984 61.984 65.324 -3.340 19954 369 1 1 . 1 1 80 80 THR CB C 80 67.420 67.420 68.740 -1.321 19954 370 1 1 . 1 1 80 80 THR H H 80 7.883 7.883 7.884 -0.001 19954 371 1 1 . 1 1 81 81 ARG N N 81 120.172 120.172 121.114 -0.942 19954 372 1 1 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.011 0.068 19954 373 1 1 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.353 -3.216 19954 374 1 1 . 1 1 81 81 ARG H H 81 7.471 7.471 8.263 -0.792 19954 375 1 1 . 1 1 82 82 SER N N 82 113.571 113.571 114.579 -1.008 19954 376 1 1 . 1 1 82 82 SER HA H 82 4.329 4.329 4.189 0.140 19954 377 1 1 . 1 1 82 82 SER CA C 82 56.193 56.193 60.583 -4.389 19954 378 1 1 . 1 1 82 82 SER CB C 82 72.312 72.312 63.138 9.174 19954 379 1 1 . 1 1 82 82 SER H H 82 7.744 7.744 8.107 -0.363 19954 380 1 1 . 1 1 83 83 ASN N N 83 119.990 119.990 117.831 2.159 19954 381 1 1 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.941 -0.199 19954 382 1 1 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.878 -3.715 19954 383 1 1 . 1 1 83 83 ASN H H 83 7.792 7.792 7.791 0.001 19954 384 1 1 . 1 1 84 84 SER N N 84 116.799 116.799 114.693 2.106 19954 385 1 1 . 1 1 84 84 SER HA H 84 4.291 4.291 4.546 -0.255 19954 386 1 1 . 1 1 84 84 SER CA C 84 56.325 56.325 58.204 -1.879 19954 387 1 1 . 1 1 84 84 SER H H 84 8.352 8.352 8.350 0.002 19954 388 1 1 . 1 1 85 85 ASN N N 85 120.087 120.087 122.465 -2.378 19954 389 1 1 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.820 -0.153 19954 390 1 1 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.598 -1.790 19954 391 1 1 . 1 1 85 85 ASN H H 85 8.362 8.362 8.383 -0.021 19954 392 1 1 . 1 1 86 86 SER N N 86 116.068 116.068 119.755 -3.687 19954 393 1 1 . 1 1 86 86 SER HA H 86 4.362 4.362 4.676 -0.314 19954 394 1 1 . 1 1 86 86 SER CA C 86 55.853 55.853 57.480 -1.627 19954 395 1 1 . 1 1 86 86 SER H H 86 8.102 8.102 8.054 0.048 19954 396 1 1 . 1 1 87 87 SER N N 87 117.615 117.615 117.338 0.277 19954 397 1 1 . 1 1 87 87 SER HA H 87 4.302 4.302 4.538 -0.236 19954 398 1 1 . 1 1 87 87 SER CA C 87 55.608 55.608 57.957 -2.349 19954 399 1 1 . 1 1 87 87 SER H H 87 8.269 8.269 8.154 0.115 19954 400 1 1 . 1 1 88 88 SER N N 88 122.455 122.455 116.256 6.199 19954 401 1 1 . 1 1 88 88 SER CA C 88 53.710 53.710 58.759 -5.049 19954 402 1 1 . 1 1 88 88 SER H H 88 8.377 8.377 8.296 0.081 19954 403 1 1 . 1 1 89 89 ASN N N 89 115.430 115.430 119.007 -3.577 19954 404 1 1 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.259 5.641 19954 405 1 1 . 1 1 89 89 ASN H H 89 8.141 8.141 8.088 0.053 19954 406 1 1 . 1 1 90 90 LYS N N 90 128.071 128.071 118.074 9.997 19954 407 1 1 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.300 -0.918 19954 408 1 1 . 1 1 90 90 LYS H H 90 7.961 7.961 8.532 -0.571 19954 409 1 1 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.696 -1.291 19954 410 1 1 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.754 -2.133 19954 411 1 1 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.594 -3.901 19954 412 1 1 . 1 1 92 92 GLY N N 92 112.403 112.403 103.922 8.481 19954 413 1 1 . 1 1 92 92 GLY CA C 92 43.305 43.305 45.877 -2.572 19954 414 1 1 . 1 1 92 92 GLY H H 92 10.139 10.139 8.462 1.677 19954 415 1 1 . 1 1 93 93 THR N N 93 106.254 106.254 111.241 -4.987 19954 416 1 1 . 1 1 93 93 THR HA H 93 4.527 4.527 4.985 -0.458 19954 417 1 1 . 1 1 93 93 THR CA C 93 56.663 56.663 60.584 -3.921 19954 418 1 1 . 1 1 93 93 THR CB C 93 70.927 70.927 70.179 0.748 19954 419 1 1 . 1 1 93 93 THR H H 93 7.180 7.180 7.465 -0.285 19954 420 1 1 . 1 1 94 94 CYS N N 94 121.465 121.465 120.545 0.920 19954 421 1 1 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.714 -0.264 19954 422 1 1 . 1 1 94 94 CYS CA C 94 60.867 60.867 64.164 -3.297 19954 423 1 1 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.307 -2.061 19954 424 1 1 . 1 1 94 94 CYS H H 94 8.777 8.777 8.676 0.101 19954 425 1 1 . 1 1 95 95 ALA N N 95 119.619 119.619 121.406 -1.787 19954 426 1 1 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.778 0.064 19954 427 1 1 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.398 -2.653 19954 428 1 1 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.947 -2.243 19954 429 1 1 . 1 1 95 95 ALA H H 95 8.392 8.392 8.384 0.008 19954 430 1 1 . 1 1 96 96 HIS N N 96 118.081 118.081 117.666 0.415 19954 431 1 1 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.228 -0.022 19954 432 1 1 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.206 -1.515 19954 433 1 1 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.459 -2.375 19954 434 1 1 . 1 1 96 96 HIS H H 96 7.631 7.631 8.308 -0.677 19954 435 1 1 . 1 1 97 97 ALA N N 97 123.652 123.652 123.099 0.553 19954 436 1 1 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.340 -0.399 19954 437 1 1 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.342 -2.184 19954 438 1 1 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.631 -0.967 19954 439 1 1 . 1 1 97 97 ALA H H 97 7.347 7.347 8.457 -1.110 19954 440 1 1 . 1 1 98 98 ILE N N 98 115.278 115.278 118.692 -3.414 19954 441 1 1 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.419 0.105 19954 442 1 1 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.927 -2.944 19954 443 1 1 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.270 -1.603 19954 444 1 1 . 1 1 98 98 ILE H H 98 7.916 7.916 8.188 -0.272 19954 445 1 1 . 1 1 99 99 ASN N N 99 120.684 120.684 118.173 2.511 19954 446 1 1 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.399 0.005 19954 447 1 1 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.838 -2.699 19954 448 1 1 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.447 -2.202 19954 449 1 1 . 1 1 99 99 ASN H H 99 7.978 7.978 8.107 -0.129 19954 450 1 1 . 1 1 100 100 THR N N 100 117.791 117.791 117.538 0.253 19954 451 1 1 . 1 1 100 100 THR HA H 100 3.630 3.630 4.015 -0.385 19954 452 1 1 . 1 1 100 100 THR CA C 100 63.899 63.899 66.313 -2.414 19954 453 1 1 . 1 1 100 100 THR CB C 100 66.038 66.038 68.986 -2.948 19954 454 1 1 . 1 1 100 100 THR H H 100 8.295 8.295 8.313 -0.018 19954 455 1 1 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.940 -0.222 19954 456 1 1 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.249 -3.824 19954 457 1 1 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.857 -0.669 19954 458 1 1 . 1 1 101 101 LEU H H 101 7.825 7.825 8.322 -0.497 19954 459 1 1 . 1 1 102 102 GLY N N 102 105.767 105.767 104.011 1.756 19954 460 1 1 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.875 -1.534 19954 461 1 1 . 1 1 102 102 GLY H H 102 8.591 8.591 8.497 0.094 19954 462 1 1 . 1 1 103 103 GLU N N 103 116.366 116.366 119.197 -2.831 19954 463 1 1 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.444 -0.377 19954 464 1 1 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.429 -1.983 19954 465 1 1 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.364 -2.987 19954 466 1 1 . 1 1 103 103 GLU H H 103 7.471 7.471 7.892 -0.421 19954 467 1 1 . 1 1 104 104 VAL N N 104 108.377 108.377 112.706 -4.329 19954 468 1 1 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.502 0.254 19954 469 1 1 . 1 1 104 104 VAL CA C 104 57.855 57.855 61.406 -3.551 19954 470 1 1 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.561 -2.683 19954 471 1 1 . 1 1 104 104 VAL H H 104 7.016 7.016 7.880 -0.864 19954 472 1 1 . 1 1 105 105 ILE N N 105 123.784 123.784 123.412 0.372 19954 473 1 1 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.537 0.217 19954 474 1 1 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.647 -6.247 19954 475 1 1 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.573 -2.162 19954 476 1 1 . 1 1 105 105 ILE H H 105 7.197 7.197 8.621 -1.424 19954 477 1 1 . 1 1 106 106 GLN N N 106 121.117 121.117 118.716 2.401 19954 478 1 1 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.801 -0.146 19954 479 1 1 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.216 -0.882 19954 480 1 1 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.237 -0.345 19954 481 1 1 . 1 1 106 106 GLN H H 106 8.549 8.549 8.560 -0.011 19954 482 1 1 . 1 1 107 107 GLU N N 107 122.716 122.716 121.549 1.167 19954 483 1 1 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.075 -0.238 19954 484 1 1 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.633 -2.045 19954 485 1 1 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.895 -2.361 19954 486 1 1 . 1 1 107 107 GLU H H 107 7.762 7.762 8.072 -0.310 19954 487 1 1 . 1 1 108 108 LEU N N 108 116.615 116.615 121.251 -4.636 19954 488 1 1 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.956 0.023 19954 489 1 1 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.929 -3.135 19954 490 1 1 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.608 -3.111 19954 491 1 1 . 1 1 108 108 LEU H H 108 8.016 8.016 7.768 0.248 19954 492 1 1 . 1 1 109 109 LEU N N 109 118.708 118.708 119.198 -0.490 19954 493 1 1 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.757 0.083 19954 494 1 1 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.871 -3.145 19954 495 1 1 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.626 -0.304 19954 496 1 1 . 1 1 109 109 LEU H H 109 8.801 8.801 8.505 0.296 19954 497 1 1 . 1 1 110 110 SER N N 110 114.083 114.083 114.257 -0.174 19954 498 1 1 . 1 1 110 110 SER HA H 110 3.848 3.848 3.887 -0.039 19954 499 1 1 . 1 1 110 110 SER CA C 110 60.127 60.127 61.604 -1.477 19954 500 1 1 . 1 1 110 110 SER CB C 110 60.300 60.300 62.482 -2.182 19954 501 1 1 . 1 1 110 110 SER H H 110 8.161 8.161 8.017 0.144 19954 502 1 1 . 1 1 111 111 ASP N N 111 120.151 120.151 123.046 -2.895 19954 503 1 1 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.253 0.089 19954 504 1 1 . 1 1 111 111 ASP CA C 111 54.767 54.767 56.947 -2.180 19954 505 1 1 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.249 -0.505 19954 506 1 1 . 1 1 111 111 ASP H H 111 7.614 7.614 8.010 -0.396 19954 507 1 1 . 1 1 112 112 ALA N N 112 116.927 116.927 122.598 -5.671 19954 508 1 1 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.952 -0.363 19954 509 1 1 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.281 -2.558 19954 510 1 1 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.593 -0.946 19954 511 1 1 . 1 1 112 112 ALA H H 112 7.662 7.662 8.228 -0.566 19954 512 1 1 . 1 1 113 113 ILE N N 113 119.039 119.039 117.813 1.226 19954 513 1 1 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.612 -0.385 19954 514 1 1 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.644 -0.964 19954 515 1 1 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.912 -1.753 19954 516 1 1 . 1 1 113 113 ILE H H 113 8.681 8.681 8.208 0.473 19954 517 1 1 . 1 1 114 114 ALA N N 114 120.055 120.055 121.787 -1.732 19954 518 1 1 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.993 -0.086 19954 519 1 1 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.626 -2.038 19954 520 1 1 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.936 -2.805 19954 521 1 1 . 1 1 114 114 ALA H H 114 7.716 7.716 8.204 -0.488 19954 522 1 1 . 1 1 115 115 LYS N N 115 113.845 113.845 117.909 -4.064 19954 523 1 1 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.003 0.080 19954 524 1 1 . 1 1 115 115 LYS CA C 115 53.955 53.955 58.226 -4.271 19954 525 1 1 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.484 -0.851 19954 526 1 1 . 1 1 115 115 LYS H H 115 7.248 7.248 8.349 -1.101 19954 527 1 1 . 1 1 116 116 SER N N 116 115.794 115.794 112.596 3.198 19954 528 1 1 . 1 1 116 116 SER HA H 116 4.503 4.503 4.528 -0.025 19954 529 1 1 . 1 1 116 116 SER CA C 116 57.848 57.848 58.984 -1.136 19954 530 1 1 . 1 1 116 116 SER CB C 116 63.380 63.380 64.666 -1.286 19954 531 1 1 . 1 1 116 116 SER H H 116 7.124 7.124 7.782 -0.658 19954 532 1 1 . 1 1 117 117 ASN N N 117 119.747 119.747 119.682 0.065 19954 533 1 1 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.854 -0.332 19954 534 1 1 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.970 -2.628 19954 535 1 1 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.397 -4.114 19954 536 1 1 . 1 1 117 117 ASN H H 117 8.457 8.457 8.304 0.153 19954 537 1 1 . 1 1 118 118 GLN N N 118 117.591 117.591 119.678 -2.087 19954 538 1 1 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.865 -0.088 19954 539 1 1 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.441 -3.257 19954 540 1 1 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.394 3.147 19954 541 1 1 . 1 1 118 118 GLN H H 118 8.418 8.418 8.867 -0.449 19954 542 1 1 . 1 1 119 119 ASP N N 119 119.281 119.281 117.517 1.764 19954 543 1 1 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.405 -0.115 19954 544 1 1 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.160 -2.567 19954 545 1 1 . 1 1 119 119 ASP CB C 119 38.903 38.903 39.990 -1.087 19954 546 1 1 . 1 1 119 119 ASP H H 119 7.973 7.973 8.610 -0.637 19954 547 1 1 . 1 1 120 120 HIS N N 120 118.871 118.871 118.712 0.159 19954 548 1 1 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.095 0.245 19954 549 1 1 . 1 1 120 120 HIS CA C 120 55.758 55.758 59.275 -3.517 19954 550 1 1 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.717 -1.989 19954 551 1 1 . 1 1 120 120 HIS H H 120 8.702 8.702 8.669 0.033 19954 552 1 1 . 1 1 121 121 LYS N N 121 120.739 120.739 118.626 2.113 19954 553 1 1 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.904 -0.136 19954 554 1 1 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.761 -0.076 19954 555 1 1 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.347 -0.423 19954 556 1 1 . 1 1 121 121 LYS H H 121 8.990 8.990 8.908 0.082 19954 557 1 1 . 1 1 122 122 GLU N N 122 117.889 117.889 119.574 -1.685 19954 558 1 1 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.038 0.024 19954 559 1 1 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.473 -3.368 19954 560 1 1 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.174 -2.483 19954 561 1 1 . 1 1 122 122 GLU H H 122 7.615 7.615 8.119 -0.504 19954 562 1 1 . 1 1 123 123 LYS N N 123 119.139 119.139 119.211 -0.072 19954 563 1 1 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.072 -0.113 19954 564 1 1 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.727 -2.126 19954 565 1 1 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.886 -1.663 19954 566 1 1 . 1 1 123 123 LYS H H 123 7.550 7.550 7.679 -0.129 19954 567 1 1 . 1 1 124 124 ILE N N 124 123.103 123.103 119.898 3.205 19954 568 1 1 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.442 -0.216 19954 569 1 1 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.772 -2.088 19954 570 1 1 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.527 -2.784 19954 571 1 1 . 1 1 124 124 ILE H H 124 8.356 8.356 7.841 0.515 19954 572 1 1 . 1 1 125 125 ARG N N 125 122.162 122.162 119.819 2.343 19954 573 1 1 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.900 -0.794 19954 574 1 1 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.649 -1.625 19954 575 1 1 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.115 1.856 19954 576 1 1 . 1 1 125 125 ARG H H 125 7.988 7.988 7.922 0.066 19954 577 1 1 . 1 1 126 126 MET N N 126 115.215 115.215 119.054 -3.839 19954 578 1 1 . 1 1 126 126 MET HA H 126 3.973 3.973 4.131 -0.158 19954 579 1 1 . 1 1 126 126 MET CA C 126 55.896 55.896 58.967 -3.071 19954 580 1 1 . 1 1 126 126 MET CB C 126 29.856 29.856 32.484 -2.628 19954 581 1 1 . 1 1 126 126 MET H H 126 7.455 7.455 7.792 -0.337 19954 582 1 1 . 1 1 127 127 LEU N N 127 122.351 122.351 120.931 1.420 19954 583 1 1 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.740 -0.188 19954 584 1 1 . 1 1 127 127 LEU CA C 127 54.788 54.788 58.011 -3.223 19954 585 1 1 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.263 -1.985 19954 586 1 1 . 1 1 127 127 LEU H H 127 7.479 7.479 7.910 -0.431 19954 587 1 1 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.555 0.328 19954 588 1 1 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.071 -2.724 19954 589 1 1 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.330 -2.521 19954 590 1 1 . 1 1 128 128 LEU H H 128 7.841 7.841 8.112 -0.271 19954 591 1 1 . 1 1 129 129 ASP N N 129 116.915 116.915 119.479 -2.564 19954 592 1 1 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.409 -0.022 19954 593 1 1 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.430 -4.831 19954 594 1 1 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.846 -2.980 19954 595 1 1 . 1 1 129 129 ASP H H 129 7.034 7.034 7.867 -0.833 19954 596 1 1 . 1 1 130 130 ILE N N 130 124.155 124.155 120.504 3.651 19954 597 1 1 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.687 -0.044 19954 598 1 1 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.108 -1.732 19954 599 1 1 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.716 -2.932 19954 600 1 1 . 1 1 130 130 ILE H H 130 7.671 7.671 7.744 -0.073 19954 601 1 1 . 1 1 131 131 TRP N N 131 125.421 125.421 120.265 5.156 19954 602 1 1 . 1 1 131 131 TRP H H 131 8.831 8.831 8.138 0.693 19954 603 1 1 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.257 3.182 19954 604 1 1 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.293 0.190 19954 605 1 1 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.047 -4.310 19954 606 1 1 . 1 1 144 144 ALA N N 144 121.013 121.013 122.072 -1.059 19954 607 1 1 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.945 0.159 19954 608 1 1 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.884 -2.206 19954 609 1 1 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.679 -3.303 19954 610 1 1 . 1 1 144 144 ALA H H 144 8.212 8.212 8.166 0.046 19954 611 1 1 . 1 1 145 145 ILE N N 145 117.646 117.646 115.289 2.357 19954 612 1 1 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.252 0.576 19954 613 1 1 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.489 -4.145 19954 614 1 1 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.207 0.935 19954 615 1 1 . 1 1 145 145 ILE H H 145 7.183 7.183 7.721 -0.538 19954 616 1 1 . 1 1 146 146 ARG N N 146 121.150 121.150 121.766 -0.616 19954 617 1 1 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.891 0.011 19954 618 1 1 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.958 -0.493 19954 619 1 1 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.157 -2.374 19954 620 1 1 . 1 1 146 146 ARG H H 146 8.477 8.477 8.245 0.232 19954 621 1 1 . 1 1 147 147 SER N N 147 111.836 111.836 115.543 -3.707 19954 622 1 1 . 1 1 147 147 SER HA H 147 4.162 4.162 4.596 -0.434 19954 623 1 1 . 1 1 147 147 SER CA C 147 58.642 58.642 58.139 0.503 19954 624 1 1 . 1 1 147 147 SER CB C 147 60.972 60.972 63.251 -2.279 19954 625 1 1 . 1 1 147 147 SER H H 147 8.187 8.187 7.829 0.358 19954 626 1 1 . 1 1 148 148 LYS N N 148 118.675 118.675 126.591 -7.916 19954 627 1 1 . 1 1 148 148 LYS HA H 148 4.138 4.138 4.041 0.097 19954 628 1 1 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.620 -3.603 19954 629 1 1 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.728 0.052 19954 630 1 1 . 1 1 148 148 LYS H H 148 7.837 7.837 8.674 -0.837 19954 631 1 1 . 1 1 149 149 CYS N N 149 113.256 113.256 118.040 -4.784 19954 632 1 1 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.068 0.524 19954 633 1 1 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.630 -10.617 19954 634 1 1 . 1 1 149 149 CYS H H 149 8.267 8.267 8.201 0.066 19954 635 1 1 . 1 1 150 150 PHE N N 150 116.623 116.623 120.461 -3.838 19954 636 1 1 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.096 0.848 19954 637 1 1 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.330 -6.921 19954 638 1 1 . 1 1 150 150 PHE CB C 150 37.053 37.053 36.822 0.231 19954 639 1 1 . 1 1 150 150 PHE H H 150 7.373 7.373 8.819 -1.446 19954 640 1 1 . 1 1 151 151 ALA N N 151 122.583 122.583 121.277 1.306 19954 641 1 1 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.570 0.609 19954 642 1 1 . 1 1 151 151 ALA CA C 151 50.641 50.641 54.060 -3.419 19954 643 1 1 . 1 1 151 151 ALA CB C 151 15.939 15.939 17.642 -1.704 19954 644 1 1 . 1 1 151 151 ALA H H 151 7.710 7.710 5.504 2.206 19954 645 1 1 . 1 1 152 152 MET N N 152 118.250 118.250 116.696 1.554 19954 646 1 1 . 1 1 152 152 MET HA H 152 4.262 4.262 3.902 0.360 19954 647 1 1 . 1 1 152 152 MET CA C 152 53.482 53.482 58.296 -4.814 19954 648 1 1 . 1 1 152 152 MET CB C 152 30.488 30.488 31.537 -1.049 19954 649 1 1 . 1 1 152 152 MET H H 152 8.086 8.086 7.591 0.495 19954 650 1 1 . 1 1 153 153 ASP N N 153 121.780 121.780 119.239 2.541 19954 651 1 1 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.400 0.078 19954 652 1 1 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.480 -4.854 19954 653 1 1 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.197 -2.737 19954 654 1 1 . 1 1 153 153 ASP H H 153 8.299 8.299 8.080 0.219 19954 655 1 1 . 1 1 154 154 LEU N N 154 122.337 122.337 116.389 5.948 19954 656 1 1 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.261 -0.153 19954 657 1 1 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.351 -3.498 19954 658 1 1 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.725 -2.009 19954 659 1 1 . 1 1 154 154 LEU H H 154 8.072 8.072 7.486 0.586 19954 660 1 1 . 1 1 155 155 GLU N N 155 119.995 119.995 118.793 1.202 19954 661 1 1 . 1 1 155 155 GLU HA H 155 3.995 3.995 3.996 -0.001 19954 662 1 1 . 1 1 155 155 GLU CA C 155 54.299 54.299 56.942 -2.643 19954 663 1 1 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.029 -1.395 19954 664 1 1 . 1 1 155 155 GLU H H 155 8.151 8.151 7.880 0.271 19954 665 1 1 . 1 1 156 156 HIS N N 156 118.980 118.980 123.187 -4.207 19954 666 1 1 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.373 -0.153 19954 667 1 1 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.699 -3.256 19954 668 1 1 . 1 1 156 156 HIS H H 156 8.007 8.007 8.155 -0.148 19954 669 1 1 . 1 1 157 157 HIS N N 157 121.956 121.956 120.345 1.611 19954 670 1 1 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.367 0.044 19954 671 1 1 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.760 -4.508 19954 672 1 1 . 1 1 157 157 HIS H H 157 8.580 8.580 8.114 0.466 19954 673 1 1 . 1 1 158 158 HIS N N 158 125.474 125.474 125.430 0.044 19954 674 1 1 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.653 -1.025 19954 675 1 1 . 1 1 158 158 HIS H H 158 7.906 7.906 8.556 -0.650 19954 676 1 2 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.498 -0.183 19954 677 1 2 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.957 -4.243 19954 678 1 2 . 1 1 5 5 ASP N N 5 120.880 120.880 119.715 1.165 19954 679 1 2 . 1 1 5 5 ASP HA H 5 4.454 4.454 5.085 -0.631 19954 680 1 2 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.260 -0.685 19954 681 1 2 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.145 -2.421 19954 682 1 2 . 1 1 5 5 ASP H H 5 8.277 8.277 7.804 0.473 19954 683 1 2 . 1 1 6 6 ASP N N 6 120.876 120.876 120.359 0.517 19954 684 1 2 . 1 1 6 6 ASP HA H 6 4.482 4.482 5.098 -0.616 19954 685 1 2 . 1 1 6 6 ASP CA C 6 52.962 52.962 52.412 0.550 19954 686 1 2 . 1 1 6 6 ASP CB C 6 38.558 38.558 43.359 -4.801 19954 687 1 2 . 1 1 6 6 ASP H H 6 8.497 8.497 7.665 0.832 19954 688 1 2 . 1 1 7 7 PHE N N 7 122.789 122.789 120.428 2.361 19954 689 1 2 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.205 -0.096 19954 690 1 2 . 1 1 7 7 PHE CA C 7 58.870 58.870 62.220 -3.350 19954 691 1 2 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.550 -2.883 19954 692 1 2 . 1 1 7 7 PHE H H 7 8.337 8.337 9.087 -0.750 19954 693 1 2 . 1 1 8 8 GLN N N 8 116.255 116.255 118.840 -2.585 19954 694 1 2 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.987 -0.238 19954 695 1 2 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.458 -3.732 19954 696 1 2 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.031 -3.243 19954 697 1 2 . 1 1 8 8 GLN H H 8 8.488 8.488 8.728 -0.240 19954 698 1 2 . 1 1 9 9 ASN N N 9 118.242 118.242 118.837 -0.595 19954 699 1 2 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.379 -0.065 19954 700 1 2 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.511 -2.936 19954 701 1 2 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.525 -2.272 19954 702 1 2 . 1 1 9 9 ASN H H 9 7.801 7.801 7.913 -0.112 19954 703 1 2 . 1 1 10 10 PHE N N 10 124.982 124.982 121.457 3.525 19954 704 1 2 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.737 -0.283 19954 705 1 2 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.065 -2.071 19954 706 1 2 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.286 -3.251 19954 707 1 2 . 1 1 10 10 PHE H H 10 6.924 6.924 7.336 -0.412 19954 708 1 2 . 1 1 11 11 VAL N N 11 118.513 118.513 118.838 -0.325 19954 709 1 2 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.387 -0.553 19954 710 1 2 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.616 -2.385 19954 711 1 2 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.252 -1.174 19954 712 1 2 . 1 1 11 11 VAL H H 11 7.448 7.448 8.169 -0.721 19954 713 1 2 . 1 1 12 12 ALA N N 12 119.214 119.214 121.317 -2.103 19954 714 1 2 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.888 -0.004 19954 715 1 2 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.675 -3.248 19954 716 1 2 . 1 1 12 12 ALA CB C 12 15.649 15.649 18.155 -2.506 19954 717 1 2 . 1 1 12 12 ALA H H 12 8.028 8.028 8.596 -0.568 19954 718 1 2 . 1 1 13 13 THR N N 13 116.435 116.435 116.276 0.159 19954 719 1 2 . 1 1 13 13 THR HA H 13 3.624 3.624 3.825 -0.201 19954 720 1 2 . 1 1 13 13 THR CA C 13 64.041 64.041 66.777 -2.736 19954 721 1 2 . 1 1 13 13 THR CB C 13 65.118 65.118 68.583 -3.465 19954 722 1 2 . 1 1 13 13 THR H H 13 7.638 7.638 7.814 -0.176 19954 723 1 2 . 1 1 14 14 LEU N N 14 126.284 126.284 121.701 4.583 19954 724 1 2 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.504 0.126 19954 725 1 2 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.812 -2.325 19954 726 1 2 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.102 -2.250 19954 727 1 2 . 1 1 14 14 LEU H H 14 7.975 7.975 7.438 0.537 19954 728 1 2 . 1 1 15 15 GLU N N 15 116.145 116.145 118.495 -2.350 19954 729 1 2 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.903 -0.086 19954 730 1 2 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.786 -3.393 19954 731 1 2 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.039 -2.131 19954 732 1 2 . 1 1 15 15 GLU H H 15 8.503 8.503 8.544 -0.041 19954 733 1 2 . 1 1 16 16 SER N N 16 114.452 114.452 114.577 -0.125 19954 734 1 2 . 1 1 16 16 SER HA H 16 4.196 4.196 4.244 -0.048 19954 735 1 2 . 1 1 16 16 SER CA C 16 58.515 58.515 61.003 -2.488 19954 736 1 2 . 1 1 16 16 SER CB C 16 60.155 60.155 62.829 -2.674 19954 737 1 2 . 1 1 16 16 SER H H 16 7.643 7.643 8.113 -0.470 19954 738 1 2 . 1 1 17 17 PHE N N 17 124.020 124.020 122.079 1.941 19954 739 1 2 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.139 -0.315 19954 740 1 2 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.215 -1.880 19954 741 1 2 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.955 -2.101 19954 742 1 2 . 1 1 17 17 PHE H H 17 8.082 8.082 8.082 0.000 19954 743 1 2 . 1 1 18 18 LYS N N 18 116.570 116.570 117.949 -1.379 19954 744 1 2 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.060 -0.113 19954 745 1 2 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.974 -2.119 19954 746 1 2 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.828 -2.376 19954 747 1 2 . 1 1 18 18 LYS H H 18 7.849 7.849 7.860 -0.011 19954 748 1 2 . 1 1 19 19 ASP N N 19 116.332 116.332 119.144 -2.812 19954 749 1 2 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.451 0.088 19954 750 1 2 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.914 -3.757 19954 751 1 2 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.431 -2.728 19954 752 1 2 . 1 1 19 19 ASP H H 19 7.276 7.276 7.722 -0.446 19954 753 1 2 . 1 1 20 20 LEU N N 20 119.769 119.769 119.420 0.349 19954 754 1 2 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.124 0.275 19954 755 1 2 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.637 -4.638 19954 756 1 2 . 1 1 20 20 LEU H H 20 7.226 7.226 7.676 -0.450 19954 757 1 2 . 1 1 21 21 LYS N N 21 126.041 126.041 119.067 6.974 19954 758 1 2 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.141 -0.078 19954 759 1 2 . 1 1 21 21 LYS CA C 21 56.849 56.849 57.691 -0.842 19954 760 1 2 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.325 -0.692 19954 761 1 2 . 1 1 21 21 LYS H H 21 9.203 9.203 8.732 0.471 19954 762 1 2 . 1 1 22 22 SER N N 22 109.885 109.885 113.749 -3.864 19954 763 1 2 . 1 1 22 22 SER HA H 22 4.322 4.322 4.435 -0.113 19954 764 1 2 . 1 1 22 22 SER CA C 22 55.254 55.254 58.159 -2.905 19954 765 1 2 . 1 1 22 22 SER CB C 22 62.254 62.254 64.291 -2.037 19954 766 1 2 . 1 1 22 22 SER H H 22 8.607 8.607 8.077 0.530 19954 767 1 2 . 1 1 23 23 GLY N N 23 106.286 106.286 109.457 -3.171 19954 768 1 2 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.318 -0.338 19954 769 1 2 . 1 1 23 23 GLY H H 23 6.619 6.619 8.115 -1.496 19954 770 1 2 . 1 1 24 24 ILE N N 24 118.883 118.883 118.593 0.290 19954 771 1 2 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.255 -0.271 19954 772 1 2 . 1 1 24 24 ILE CA C 24 59.167 59.167 59.166 0.001 19954 773 1 2 . 1 1 24 24 ILE CB C 24 39.646 39.646 40.948 -1.302 19954 774 1 2 . 1 1 24 24 ILE H H 24 7.929 7.929 7.074 0.855 19954 775 1 2 . 1 1 25 25 SER N N 25 117.952 117.952 118.777 -0.825 19954 776 1 2 . 1 1 25 25 SER HA H 25 5.093 5.093 4.668 0.425 19954 777 1 2 . 1 1 25 25 SER CA C 25 52.534 52.534 57.721 -5.187 19954 778 1 2 . 1 1 25 25 SER CB C 25 61.938 61.938 66.556 -4.618 19954 779 1 2 . 1 1 25 25 SER H H 25 5.660 5.660 8.732 -3.072 19954 780 1 2 . 1 1 26 26 GLY N N 26 120.266 120.266 113.883 6.383 19954 781 1 2 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.353 -1.866 19954 782 1 2 . 1 1 26 26 GLY H H 26 8.596 8.596 8.881 -0.285 19954 783 1 2 . 1 1 27 27 SER N N 27 120.500 120.500 117.559 2.941 19954 784 1 2 . 1 1 27 27 SER HA H 27 4.410 4.410 4.230 0.180 19954 785 1 2 . 1 1 27 27 SER CA C 27 58.793 58.793 61.472 -2.679 19954 786 1 2 . 1 1 27 27 SER CB C 27 62.224 62.224 62.700 -0.476 19954 787 1 2 . 1 1 27 27 SER H H 27 9.846 9.846 8.369 1.477 19954 788 1 2 . 1 1 28 28 ARG N N 28 123.779 123.779 121.018 2.761 19954 789 1 2 . 1 1 28 28 ARG HA H 28 3.885 3.885 4.044 -0.159 19954 790 1 2 . 1 1 28 28 ARG CA C 28 56.840 56.840 58.984 -2.144 19954 791 1 2 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.642 -1.528 19954 792 1 2 . 1 1 28 28 ARG H H 28 8.034 8.034 8.196 -0.162 19954 793 1 2 . 1 1 29 29 ILE N N 29 120.700 120.700 120.234 0.466 19954 794 1 2 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.264 0.208 19954 795 1 2 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.104 -0.475 19954 796 1 2 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.409 -1.741 19954 797 1 2 . 1 1 29 29 ILE H H 29 8.374 8.374 8.128 0.246 19954 798 1 2 . 1 1 30 30 LYS N N 30 124.209 124.209 120.242 3.967 19954 799 1 2 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.867 0.161 19954 800 1 2 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.241 -2.840 19954 801 1 2 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.211 -2.930 19954 802 1 2 . 1 1 30 30 LYS H H 30 8.231 8.231 8.385 -0.154 19954 803 1 2 . 1 1 31 31 LYS N N 31 120.422 120.422 119.625 0.797 19954 804 1 2 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.035 0.003 19954 805 1 2 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.259 -1.641 19954 806 1 2 . 1 1 31 31 LYS CB C 31 30.169 30.169 31.968 -1.800 19954 807 1 2 . 1 1 31 31 LYS H H 31 7.449 7.449 8.018 -0.569 19954 808 1 2 . 1 1 32 32 LEU N N 32 118.348 118.348 119.435 -1.087 19954 809 1 2 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.012 0.049 19954 810 1 2 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.618 -3.208 19954 811 1 2 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.230 -1.448 19954 812 1 2 . 1 1 32 32 LEU H H 32 8.186 8.186 7.904 0.282 19954 813 1 2 . 1 1 33 33 THR N N 33 116.500 116.500 115.503 0.997 19954 814 1 2 . 1 1 33 33 THR HA H 33 3.662 3.662 3.907 -0.245 19954 815 1 2 . 1 1 33 33 THR CA C 33 64.726 64.726 67.342 -2.616 19954 816 1 2 . 1 1 33 33 THR CB C 33 66.097 66.097 68.092 -1.995 19954 817 1 2 . 1 1 33 33 THR H H 33 8.066 8.066 8.349 -0.283 19954 818 1 2 . 1 1 34 34 THR N N 34 119.029 119.029 118.205 0.824 19954 819 1 2 . 1 1 34 34 THR HA H 34 3.759 3.759 3.850 -0.091 19954 820 1 2 . 1 1 34 34 THR CA C 34 64.291 64.291 66.544 -2.253 19954 821 1 2 . 1 1 34 34 THR CB C 34 66.733 66.733 68.936 -2.203 19954 822 1 2 . 1 1 34 34 THR H H 34 8.685 8.685 8.026 0.659 19954 823 1 2 . 1 1 35 35 TYR N N 35 120.298 120.298 122.205 -1.907 19954 824 1 2 . 1 1 35 35 TYR HA H 35 4.202 4.202 3.973 0.229 19954 825 1 2 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.499 -1.345 19954 826 1 2 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.228 -2.218 19954 827 1 2 . 1 1 35 35 TYR H H 35 7.663 7.663 8.178 -0.515 19954 828 1 2 . 1 1 36 36 ALA N N 36 121.480 121.480 121.869 -0.389 19954 829 1 2 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.909 0.003 19954 830 1 2 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.960 -1.824 19954 831 1 2 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.336 -3.463 19954 832 1 2 . 1 1 36 36 ALA H H 36 8.543 8.543 8.411 0.132 19954 833 1 2 . 1 1 37 37 LEU N N 37 120.767 120.767 119.111 1.656 19954 834 1 2 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.893 0.210 19954 835 1 2 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.348 -3.508 19954 836 1 2 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.841 -1.659 19954 837 1 2 . 1 1 37 37 LEU H H 37 8.351 8.351 8.098 0.253 19954 838 1 2 . 1 1 38 38 ASP N N 38 119.008 119.008 116.749 2.259 19954 839 1 2 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.192 0.264 19954 840 1 2 . 1 1 38 38 ASP CA C 38 52.140 52.140 55.852 -3.712 19954 841 1 2 . 1 1 38 38 ASP CB C 38 38.899 38.899 40.856 -1.957 19954 842 1 2 . 1 1 38 38 ASP H H 38 7.557 7.557 7.989 -0.432 19954 843 1 2 . 1 1 39 39 HIS N N 39 118.142 118.142 117.494 0.648 19954 844 1 2 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.652 -0.027 19954 845 1 2 . 1 1 39 39 HIS CA C 39 52.146 52.146 53.775 -1.629 19954 846 1 2 . 1 1 39 39 HIS CB C 39 25.506 25.506 28.888 -3.382 19954 847 1 2 . 1 1 39 39 HIS H H 39 7.094 7.094 7.532 -0.438 19954 848 1 2 . 1 1 40 40 ILE N N 40 121.885 121.885 122.965 -1.080 19954 849 1 2 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.915 -0.489 19954 850 1 2 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.797 0.796 19954 851 1 2 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.290 -1.117 19954 852 1 2 . 1 1 40 40 ILE H H 40 7.630 7.630 8.241 -0.611 19954 853 1 2 . 1 1 41 41 ASP N N 41 114.814 114.814 118.430 -3.616 19954 854 1 2 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.569 -0.383 19954 855 1 2 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.330 -0.314 19954 856 1 2 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.347 -3.511 19954 857 1 2 . 1 1 41 41 ASP H H 41 8.433 8.433 8.464 -0.031 19954 858 1 2 . 1 1 42 42 ILE N N 42 113.793 113.793 113.027 0.766 19954 859 1 2 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.650 0.062 19954 860 1 2 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.358 -2.118 19954 861 1 2 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.576 -3.680 19954 862 1 2 . 1 1 42 42 ILE H H 42 7.447 7.447 7.226 0.221 19954 863 1 2 . 1 1 43 43 GLU N N 43 120.845 120.845 122.984 -2.139 19954 864 1 2 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.065 -0.019 19954 865 1 2 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.620 -2.852 19954 866 1 2 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.483 -4.466 19954 867 1 2 . 1 1 43 43 GLU H H 43 8.195 8.195 7.934 0.261 19954 868 1 2 . 1 1 44 44 SER N N 44 113.781 113.781 116.153 -2.372 19954 869 1 2 . 1 1 44 44 SER HA H 44 3.944 3.944 4.112 -0.168 19954 870 1 2 . 1 1 44 44 SER CA C 44 59.590 59.590 61.757 -2.167 19954 871 1 2 . 1 1 44 44 SER CB C 44 59.878 59.878 62.611 -2.732 19954 872 1 2 . 1 1 44 44 SER H H 44 8.728 8.728 8.610 0.118 19954 873 1 2 . 1 1 45 45 LYS N N 45 121.258 121.258 121.785 -0.527 19954 874 1 2 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.151 -0.071 19954 875 1 2 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.945 -2.755 19954 876 1 2 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.714 -1.237 19954 877 1 2 . 1 1 45 45 LYS H H 45 7.329 7.329 8.310 -0.981 19954 878 1 2 . 1 1 46 46 ILE N N 46 121.022 121.022 121.529 -0.507 19954 879 1 2 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.499 -0.136 19954 880 1 2 . 1 1 46 46 ILE CA C 46 63.257 63.257 64.874 -1.617 19954 881 1 2 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.542 -0.650 19954 882 1 2 . 1 1 46 46 ILE H H 46 7.360 7.360 7.932 -0.572 19954 883 1 2 . 1 1 47 47 ILE N N 47 118.543 118.543 119.504 -0.961 19954 884 1 2 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.642 0.097 19954 885 1 2 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.282 -5.625 19954 886 1 2 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.371 -4.244 19954 887 1 2 . 1 1 47 47 ILE H H 47 9.378 9.378 8.184 1.194 19954 888 1 2 . 1 1 48 48 SER N N 48 113.001 113.001 115.155 -2.154 19954 889 1 2 . 1 1 48 48 SER HA H 48 4.016 4.016 4.229 -0.213 19954 890 1 2 . 1 1 48 48 SER CA C 48 59.574 59.574 61.982 -2.408 19954 891 1 2 . 1 1 48 48 SER CB C 48 60.341 60.341 62.904 -2.563 19954 892 1 2 . 1 1 48 48 SER H H 48 7.382 7.382 8.647 -1.265 19954 893 1 2 . 1 1 49 49 LEU N N 49 120.059 120.059 123.266 -3.207 19954 894 1 2 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.154 0.016 19954 895 1 2 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.414 -2.748 19954 896 1 2 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.011 -2.261 19954 897 1 2 . 1 1 49 49 LEU H H 49 7.477 7.477 8.237 -0.760 19954 898 1 2 . 1 1 50 50 ILE N N 50 115.429 115.429 117.500 -2.071 19954 899 1 2 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.528 0.565 19954 900 1 2 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.037 -2.232 19954 901 1 2 . 1 1 50 50 ILE H H 50 8.081 8.081 7.794 0.287 19954 902 1 2 . 1 1 51 51 ILE N N 51 125.106 125.106 121.921 3.185 19954 903 1 2 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.580 -0.125 19954 904 1 2 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.318 -2.170 19954 905 1 2 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.769 -2.050 19954 906 1 2 . 1 1 51 51 ILE H H 51 8.194 8.194 8.121 0.073 19954 907 1 2 . 1 1 52 52 ASP N N 52 119.519 119.519 119.623 -0.104 19954 908 1 2 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.278 -0.034 19954 909 1 2 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.138 -3.154 19954 910 1 2 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.273 -3.408 19954 911 1 2 . 1 1 52 52 ASP H H 52 7.850 7.850 8.269 -0.419 19954 912 1 2 . 1 1 53 53 TYR N N 53 118.402 118.402 120.119 -1.717 19954 913 1 2 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.057 -0.165 19954 914 1 2 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.218 -1.473 19954 915 1 2 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.306 -2.442 19954 916 1 2 . 1 1 53 53 TYR H H 53 8.260 8.260 8.783 -0.523 19954 917 1 2 . 1 1 54 54 SER N N 54 111.626 111.626 116.089 -4.463 19954 918 1 2 . 1 1 54 54 SER HA H 54 4.058 4.058 4.000 0.058 19954 919 1 2 . 1 1 54 54 SER CA C 54 58.733 58.733 60.890 -2.157 19954 920 1 2 . 1 1 54 54 SER CB C 54 62.430 62.430 63.821 -1.391 19954 921 1 2 . 1 1 54 54 SER H H 54 7.316 7.316 7.965 -0.649 19954 922 1 2 . 1 1 55 55 ARG N N 55 114.937 114.937 121.312 -6.375 19954 923 1 2 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.621 0.551 19954 924 1 2 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.895 -1.622 19954 925 1 2 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.669 -1.419 19954 926 1 2 . 1 1 55 55 ARG H H 55 7.901 7.901 7.450 0.451 19954 927 1 2 . 1 1 56 56 LEU N N 56 116.307 116.307 118.995 -2.688 19954 928 1 2 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.075 0.128 19954 929 1 2 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.796 -3.996 19954 930 1 2 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.333 -1.465 19954 931 1 2 . 1 1 56 56 LEU H H 56 7.802 7.802 7.683 0.119 19954 932 1 2 . 1 1 57 57 CYS N N 57 119.062 119.062 116.534 2.528 19954 933 1 2 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.270 -0.030 19954 934 1 2 . 1 1 57 57 CYS CA C 57 53.750 53.750 57.947 -4.197 19954 935 1 2 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.055 -3.979 19954 936 1 2 . 1 1 57 57 CYS H H 57 7.717 7.717 7.431 0.286 19954 937 1 2 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.412 -0.067 19954 938 1 2 . 1 1 58 58 PRO CA C 58 60.482 60.482 64.597 -4.115 19954 939 1 2 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.035 -1.875 19954 940 1 2 . 1 1 59 59 ASP N N 59 123.671 123.671 116.621 7.050 19954 941 1 2 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.316 -0.399 19954 942 1 2 . 1 1 59 59 ASP CA C 59 55.814 55.814 57.946 -2.132 19954 943 1 2 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.128 -2.204 19954 944 1 2 . 1 1 59 59 ASP H H 59 8.696 8.696 8.532 0.164 19954 945 1 2 . 1 1 60 60 SER N N 60 110.600 110.600 115.235 -4.635 19954 946 1 2 . 1 1 60 60 SER HA H 60 4.103 4.103 4.194 -0.091 19954 947 1 2 . 1 1 60 60 SER CA C 60 57.379 57.379 61.508 -4.129 19954 948 1 2 . 1 1 60 60 SER CB C 60 61.562 61.562 62.507 -0.945 19954 949 1 2 . 1 1 60 60 SER H H 60 8.119 8.119 8.546 -0.427 19954 950 1 2 . 1 1 61 61 HIS N N 61 122.391 122.391 120.383 2.008 19954 951 1 2 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.260 0.373 19954 952 1 2 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.787 -4.073 19954 953 1 2 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.018 0.924 19954 954 1 2 . 1 1 61 61 HIS H H 61 8.123 8.123 8.600 -0.477 19954 955 1 2 . 1 1 62 62 LYS N N 62 121.665 121.665 118.827 2.838 19954 956 1 2 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.236 0.459 19954 957 1 2 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.234 -3.474 19954 958 1 2 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.730 -1.434 19954 959 1 2 . 1 1 62 62 LYS H H 62 7.512 7.512 6.856 0.656 19954 960 1 2 . 1 1 63 63 LEU N N 63 117.792 117.792 119.704 -1.912 19954 961 1 2 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.898 -0.440 19954 962 1 2 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.286 -0.661 19954 963 1 2 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.084 -3.035 19954 964 1 2 . 1 1 63 63 LEU H H 63 8.136 8.136 7.314 0.822 19954 965 1 2 . 1 1 64 64 GLY N N 64 105.340 105.340 106.060 -0.720 19954 966 1 2 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.755 -2.208 19954 967 1 2 . 1 1 64 64 GLY H H 64 8.616 8.616 8.428 0.188 19954 968 1 2 . 1 1 65 65 SER N N 65 117.745 117.745 118.223 -0.478 19954 969 1 2 . 1 1 65 65 SER HA H 65 4.265 4.265 4.421 -0.156 19954 970 1 2 . 1 1 65 65 SER CA C 65 58.998 58.998 61.475 -2.477 19954 971 1 2 . 1 1 65 65 SER CB C 65 67.350 67.350 63.122 4.228 19954 972 1 2 . 1 1 65 65 SER H H 65 7.894 7.894 8.047 -0.153 19954 973 1 2 . 1 1 66 66 LEU N N 66 124.161 124.161 121.762 2.399 19954 974 1 2 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.083 0.218 19954 975 1 2 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.657 -4.601 19954 976 1 2 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.999 -3.892 19954 977 1 2 . 1 1 66 66 LEU H H 66 7.407 7.407 7.693 -0.286 19954 978 1 2 . 1 1 67 67 TYR N N 67 121.466 121.466 117.728 3.738 19954 979 1 2 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.255 0.289 19954 980 1 2 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.418 -6.979 19954 981 1 2 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.761 -3.580 19954 982 1 2 . 1 1 67 67 TYR H H 67 8.001 8.001 8.109 -0.108 19954 983 1 2 . 1 1 68 68 ILE N N 68 121.357 121.357 120.479 0.878 19954 984 1 2 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.518 -0.283 19954 985 1 2 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.207 -1.825 19954 986 1 2 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.919 -1.839 19954 987 1 2 . 1 1 68 68 ILE H H 68 7.811 7.811 8.183 -0.372 19954 988 1 2 . 1 1 69 69 ILE N N 69 117.955 117.955 119.138 -1.183 19954 989 1 2 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.518 -0.169 19954 990 1 2 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.937 -2.524 19954 991 1 2 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.524 -1.605 19954 992 1 2 . 1 1 69 69 ILE H H 69 6.886 6.886 8.715 -1.829 19954 993 1 2 . 1 1 70 70 ASP N N 70 118.932 118.932 120.754 -1.822 19954 994 1 2 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.265 0.131 19954 995 1 2 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.267 -2.232 19954 996 1 2 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.054 0.535 19954 997 1 2 . 1 1 70 70 ASP H H 70 9.100 9.100 8.357 0.743 19954 998 1 2 . 1 1 71 71 SER N N 71 110.354 110.354 116.607 -6.253 19954 999 1 2 . 1 1 71 71 SER HA H 71 4.104 4.104 4.138 -0.034 19954 1000 1 2 . 1 1 71 71 SER CA C 71 58.746 58.746 61.979 -3.233 19954 1001 1 2 . 1 1 71 71 SER CB C 71 61.136 61.136 62.755 -1.619 19954 1002 1 2 . 1 1 71 71 SER H H 71 7.938 7.938 7.903 0.035 19954 1003 1 2 . 1 1 72 72 ILE N N 72 117.565 117.565 120.976 -3.411 19954 1004 1 2 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.491 -0.226 19954 1005 1 2 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.995 -1.346 19954 1006 1 2 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.362 -1.598 19954 1007 1 2 . 1 1 72 72 ILE H H 72 7.912 7.912 7.822 0.090 19954 1008 1 2 . 1 1 73 73 GLY N N 73 107.350 107.350 107.380 -0.030 19954 1009 1 2 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.960 -2.213 19954 1010 1 2 . 1 1 73 73 GLY H H 73 8.847 8.847 8.367 0.479 19954 1011 1 2 . 1 1 74 74 ARG N N 74 118.068 118.068 122.773 -4.705 19954 1012 1 2 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.796 0.154 19954 1013 1 2 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.712 -0.540 19954 1014 1 2 . 1 1 74 74 ARG CB C 74 27.672 27.672 29.950 -2.278 19954 1015 1 2 . 1 1 74 74 ARG H H 74 8.705 8.705 8.239 0.466 19954 1016 1 2 . 1 1 75 75 ALA N N 75 123.817 123.817 121.987 1.830 19954 1017 1 2 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.965 0.251 19954 1018 1 2 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.296 -2.434 19954 1019 1 2 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.459 -3.058 19954 1020 1 2 . 1 1 75 75 ALA H H 75 7.673 7.673 7.849 -0.176 19954 1021 1 2 . 1 1 76 76 TYR N N 76 119.918 119.918 118.766 1.152 19954 1022 1 2 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.127 0.410 19954 1023 1 2 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.160 -5.067 19954 1024 1 2 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.648 -3.845 19954 1025 1 2 . 1 1 76 76 TYR H H 76 8.659 8.659 8.447 0.212 19954 1026 1 2 . 1 1 77 77 LEU N N 77 123.387 123.387 120.198 3.189 19954 1027 1 2 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.763 0.051 19954 1028 1 2 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.460 -3.285 19954 1029 1 2 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.590 -1.716 19954 1030 1 2 . 1 1 77 77 LEU H H 77 8.756 8.756 8.488 0.268 19954 1031 1 2 . 1 1 78 78 ASP N N 78 120.181 120.181 118.409 1.772 19954 1032 1 2 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.245 0.050 19954 1033 1 2 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.767 -2.964 19954 1034 1 2 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.522 -2.699 19954 1035 1 2 . 1 1 78 78 ASP H H 78 7.891 7.891 8.038 -0.147 19954 1036 1 2 . 1 1 79 79 GLU N N 79 120.503 120.503 119.240 1.263 19954 1037 1 2 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.946 0.072 19954 1038 1 2 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.291 -2.817 19954 1039 1 2 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.248 -2.044 19954 1040 1 2 . 1 1 79 79 GLU H H 79 7.502 7.502 8.106 -0.604 19954 1041 1 2 . 1 1 80 80 THR N N 80 111.013 111.013 114.536 -3.523 19954 1042 1 2 . 1 1 80 80 THR HA H 80 4.151 4.151 3.880 0.271 19954 1043 1 2 . 1 1 80 80 THR CA C 80 61.984 61.984 65.372 -3.388 19954 1044 1 2 . 1 1 80 80 THR CB C 80 67.420 67.420 68.859 -1.439 19954 1045 1 2 . 1 1 80 80 THR H H 80 7.883 7.883 7.777 0.106 19954 1046 1 2 . 1 1 81 81 ARG N N 81 120.172 120.172 120.031 0.141 19954 1047 1 2 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.008 0.071 19954 1048 1 2 . 1 1 81 81 ARG CA C 81 55.137 55.137 59.077 -3.940 19954 1049 1 2 . 1 1 81 81 ARG H H 81 7.471 7.471 8.201 -0.730 19954 1050 1 2 . 1 1 82 82 SER N N 82 113.571 113.571 114.439 -0.868 19954 1051 1 2 . 1 1 82 82 SER HA H 82 4.329 4.329 4.209 0.120 19954 1052 1 2 . 1 1 82 82 SER CA C 82 56.193 56.193 60.944 -4.752 19954 1053 1 2 . 1 1 82 82 SER CB C 82 72.312 72.312 63.190 9.122 19954 1054 1 2 . 1 1 82 82 SER H H 82 7.744 7.744 8.116 -0.372 19954 1055 1 2 . 1 1 83 83 ASN N N 83 119.990 119.990 118.658 1.332 19954 1056 1 2 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.744 -0.002 19954 1057 1 2 . 1 1 83 83 ASN CA C 83 50.163 50.163 54.864 -4.701 19954 1058 1 2 . 1 1 83 83 ASN H H 83 7.792 7.792 7.907 -0.115 19954 1059 1 2 . 1 1 84 84 SER N N 84 116.799 116.799 111.488 5.311 19954 1060 1 2 . 1 1 84 84 SER HA H 84 4.291 4.291 4.551 -0.260 19954 1061 1 2 . 1 1 84 84 SER CA C 84 56.325 56.325 57.889 -1.564 19954 1062 1 2 . 1 1 84 84 SER H H 84 8.352 8.352 7.917 0.435 19954 1063 1 2 . 1 1 85 85 ASN N N 85 120.087 120.087 119.375 0.712 19954 1064 1 2 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.819 -0.152 19954 1065 1 2 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.470 -1.662 19954 1066 1 2 . 1 1 85 85 ASN H H 85 8.362 8.362 8.707 -0.345 19954 1067 1 2 . 1 1 86 86 SER N N 86 116.068 116.068 114.828 1.240 19954 1068 1 2 . 1 1 86 86 SER HA H 86 4.362 4.362 4.574 -0.212 19954 1069 1 2 . 1 1 86 86 SER CA C 86 55.853 55.853 58.395 -2.542 19954 1070 1 2 . 1 1 86 86 SER H H 86 8.102 8.102 7.877 0.225 19954 1071 1 2 . 1 1 87 87 SER N N 87 117.615 117.615 120.125 -2.510 19954 1072 1 2 . 1 1 87 87 SER HA H 87 4.302 4.302 4.634 -0.332 19954 1073 1 2 . 1 1 87 87 SER CA C 87 55.608 55.608 57.428 -1.820 19954 1074 1 2 . 1 1 87 87 SER H H 87 8.269 8.269 7.846 0.423 19954 1075 1 2 . 1 1 88 88 SER N N 88 122.455 122.455 115.855 6.600 19954 1076 1 2 . 1 1 88 88 SER CA C 88 53.710 53.710 56.544 -2.834 19954 1077 1 2 . 1 1 88 88 SER H H 88 8.377 8.377 8.244 0.133 19954 1078 1 2 . 1 1 89 89 ASN N N 89 115.430 115.430 118.446 -3.016 19954 1079 1 2 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.899 5.001 19954 1080 1 2 . 1 1 89 89 ASN H H 89 8.141 8.141 8.422 -0.281 19954 1081 1 2 . 1 1 90 90 LYS N N 90 128.071 128.071 115.813 12.258 19954 1082 1 2 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.609 -1.228 19954 1083 1 2 . 1 1 90 90 LYS H H 90 7.961 7.961 8.765 -0.804 19954 1084 1 2 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.391 -0.986 19954 1085 1 2 . 1 1 91 91 PRO CA C 91 60.621 60.621 63.397 -2.776 19954 1086 1 2 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.486 -3.793 19954 1087 1 2 . 1 1 92 92 GLY N N 92 112.403 112.403 104.979 7.424 19954 1088 1 2 . 1 1 92 92 GLY CA C 92 43.305 43.305 45.660 -2.355 19954 1089 1 2 . 1 1 92 92 GLY H H 92 10.139 10.139 8.702 1.437 19954 1090 1 2 . 1 1 93 93 THR N N 93 106.254 106.254 109.906 -3.652 19954 1091 1 2 . 1 1 93 93 THR HA H 93 4.527 4.527 5.125 -0.598 19954 1092 1 2 . 1 1 93 93 THR CA C 93 56.663 56.663 60.694 -4.031 19954 1093 1 2 . 1 1 93 93 THR CB C 93 70.927 70.927 70.677 0.250 19954 1094 1 2 . 1 1 93 93 THR H H 93 7.180 7.180 7.468 -0.288 19954 1095 1 2 . 1 1 94 94 CYS N N 94 121.465 121.465 120.757 0.708 19954 1096 1 2 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.616 -0.166 19954 1097 1 2 . 1 1 94 94 CYS CA C 94 60.867 60.867 62.943 -2.076 19954 1098 1 2 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.926 -1.680 19954 1099 1 2 . 1 1 94 94 CYS H H 94 8.777 8.777 8.697 0.080 19954 1100 1 2 . 1 1 95 95 ALA N N 95 119.619 119.619 123.382 -3.763 19954 1101 1 2 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.870 -0.028 19954 1102 1 2 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.170 -2.425 19954 1103 1 2 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.814 -2.110 19954 1104 1 2 . 1 1 95 95 ALA H H 95 8.392 8.392 8.593 -0.201 19954 1105 1 2 . 1 1 96 96 HIS N N 96 118.081 118.081 118.858 -0.777 19954 1106 1 2 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.257 -0.051 19954 1107 1 2 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.437 -1.746 19954 1108 1 2 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.369 -2.285 19954 1109 1 2 . 1 1 96 96 HIS H H 96 7.631 7.631 8.337 -0.706 19954 1110 1 2 . 1 1 97 97 ALA N N 97 123.652 123.652 122.900 0.752 19954 1111 1 2 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.099 -0.158 19954 1112 1 2 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.622 -2.464 19954 1113 1 2 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.615 -0.951 19954 1114 1 2 . 1 1 97 97 ALA H H 97 7.347 7.347 8.644 -1.297 19954 1115 1 2 . 1 1 98 98 ILE N N 98 115.278 115.278 118.708 -3.430 19954 1116 1 2 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.688 -0.164 19954 1117 1 2 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.978 -2.995 19954 1118 1 2 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.469 -1.802 19954 1119 1 2 . 1 1 98 98 ILE H H 98 7.916 7.916 8.250 -0.334 19954 1120 1 2 . 1 1 99 99 ASN N N 99 120.684 120.684 118.417 2.267 19954 1121 1 2 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.468 -0.064 19954 1122 1 2 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.691 -2.552 19954 1123 1 2 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.292 -2.047 19954 1124 1 2 . 1 1 99 99 ASN H H 99 7.978 7.978 8.227 -0.249 19954 1125 1 2 . 1 1 100 100 THR N N 100 117.791 117.791 116.989 0.802 19954 1126 1 2 . 1 1 100 100 THR HA H 100 3.630 3.630 4.035 -0.405 19954 1127 1 2 . 1 1 100 100 THR CA C 100 63.899 63.899 66.235 -2.336 19954 1128 1 2 . 1 1 100 100 THR CB C 100 66.038 66.038 68.798 -2.760 19954 1129 1 2 . 1 1 100 100 THR H H 100 8.295 8.295 8.347 -0.052 19954 1130 1 2 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.942 -0.224 19954 1131 1 2 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.042 -3.617 19954 1132 1 2 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.733 -0.545 19954 1133 1 2 . 1 1 101 101 LEU H H 101 7.825 7.825 8.532 -0.707 19954 1134 1 2 . 1 1 102 102 GLY N N 102 105.767 105.767 103.474 2.293 19954 1135 1 2 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.321 -0.980 19954 1136 1 2 . 1 1 102 102 GLY H H 102 8.591 8.591 8.339 0.252 19954 1137 1 2 . 1 1 103 103 GLU N N 103 116.366 116.366 119.242 -2.876 19954 1138 1 2 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.365 -0.298 19954 1139 1 2 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.541 -2.095 19954 1140 1 2 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.222 -2.845 19954 1141 1 2 . 1 1 103 103 GLU H H 103 7.471 7.471 7.679 -0.208 19954 1142 1 2 . 1 1 104 104 VAL N N 104 108.377 108.377 114.213 -5.836 19954 1143 1 2 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.383 0.373 19954 1144 1 2 . 1 1 104 104 VAL CA C 104 57.855 57.855 61.931 -4.075 19954 1145 1 2 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.274 -2.396 19954 1146 1 2 . 1 1 104 104 VAL H H 104 7.016 7.016 7.945 -0.929 19954 1147 1 2 . 1 1 105 105 ILE N N 105 123.784 123.784 122.753 1.031 19954 1148 1 2 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.637 0.117 19954 1149 1 2 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.509 -6.109 19954 1150 1 2 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.864 -2.453 19954 1151 1 2 . 1 1 105 105 ILE H H 105 7.197 7.197 8.541 -1.344 19954 1152 1 2 . 1 1 106 106 GLN N N 106 121.117 121.117 119.270 1.847 19954 1153 1 2 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.961 -0.306 19954 1154 1 2 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.249 -0.915 19954 1155 1 2 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.395 -0.503 19954 1156 1 2 . 1 1 106 106 GLN H H 106 8.549 8.549 8.561 -0.012 19954 1157 1 2 . 1 1 107 107 GLU N N 107 122.716 122.716 121.080 1.636 19954 1158 1 2 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.047 -0.210 19954 1159 1 2 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.734 -2.146 19954 1160 1 2 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.908 -2.374 19954 1161 1 2 . 1 1 107 107 GLU H H 107 7.762 7.762 8.108 -0.346 19954 1162 1 2 . 1 1 108 108 LEU N N 108 116.615 116.615 121.263 -4.648 19954 1163 1 2 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.041 -0.062 19954 1164 1 2 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.894 -3.100 19954 1165 1 2 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.661 -3.164 19954 1166 1 2 . 1 1 108 108 LEU H H 108 8.016 8.016 7.547 0.469 19954 1167 1 2 . 1 1 109 109 LEU N N 109 118.708 118.708 119.481 -0.773 19954 1168 1 2 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.872 -0.032 19954 1169 1 2 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.946 -3.220 19954 1170 1 2 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.819 -0.497 19954 1171 1 2 . 1 1 109 109 LEU H H 109 8.801 8.801 8.600 0.201 19954 1172 1 2 . 1 1 110 110 SER N N 110 114.083 114.083 115.398 -1.315 19954 1173 1 2 . 1 1 110 110 SER HA H 110 3.848 3.848 3.825 0.023 19954 1174 1 2 . 1 1 110 110 SER CA C 110 60.127 60.127 61.847 -1.720 19954 1175 1 2 . 1 1 110 110 SER CB C 110 60.300 60.300 62.411 -2.111 19954 1176 1 2 . 1 1 110 110 SER H H 110 8.161 8.161 8.316 -0.155 19954 1177 1 2 . 1 1 111 111 ASP N N 111 120.151 120.151 121.835 -1.684 19954 1178 1 2 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.259 0.083 19954 1179 1 2 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.124 -2.357 19954 1180 1 2 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.441 -0.697 19954 1181 1 2 . 1 1 111 111 ASP H H 111 7.614 7.614 7.937 -0.323 19954 1182 1 2 . 1 1 112 112 ALA N N 112 116.927 116.927 122.839 -5.912 19954 1183 1 2 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.932 -0.343 19954 1184 1 2 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.243 -2.520 19954 1185 1 2 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.611 -0.964 19954 1186 1 2 . 1 1 112 112 ALA H H 112 7.662 7.662 7.995 -0.333 19954 1187 1 2 . 1 1 113 113 ILE N N 113 119.039 119.039 119.145 -0.106 19954 1188 1 2 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.698 -0.471 19954 1189 1 2 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.706 -1.026 19954 1190 1 2 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.473 -1.314 19954 1191 1 2 . 1 1 113 113 ILE H H 113 8.681 8.681 8.405 0.276 19954 1192 1 2 . 1 1 114 114 ALA N N 114 120.055 120.055 122.355 -2.300 19954 1193 1 2 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.899 0.008 19954 1194 1 2 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.699 -2.111 19954 1195 1 2 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.312 -2.181 19954 1196 1 2 . 1 1 114 114 ALA H H 114 7.716 7.716 8.250 -0.534 19954 1197 1 2 . 1 1 115 115 LYS N N 115 113.845 113.845 118.714 -4.869 19954 1198 1 2 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.032 0.051 19954 1199 1 2 . 1 1 115 115 LYS CA C 115 53.955 53.955 58.203 -4.248 19954 1200 1 2 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.869 -1.236 19954 1201 1 2 . 1 1 115 115 LYS H H 115 7.248 7.248 8.155 -0.907 19954 1202 1 2 . 1 1 116 116 SER N N 116 115.794 115.794 113.510 2.284 19954 1203 1 2 . 1 1 116 116 SER HA H 116 4.503 4.503 4.079 0.424 19954 1204 1 2 . 1 1 116 116 SER CA C 116 57.848 57.848 59.525 -1.677 19954 1205 1 2 . 1 1 116 116 SER CB C 116 63.380 63.380 63.511 -0.131 19954 1206 1 2 . 1 1 116 116 SER H H 116 7.124 7.124 8.114 -0.990 19954 1207 1 2 . 1 1 117 117 ASN N N 117 119.747 119.747 121.136 -1.389 19954 1208 1 2 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.755 -0.233 19954 1209 1 2 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.956 -2.614 19954 1210 1 2 . 1 1 117 117 ASN CB C 117 35.282 35.282 40.009 -4.727 19954 1211 1 2 . 1 1 117 117 ASN H H 117 8.457 8.457 8.358 0.099 19954 1212 1 2 . 1 1 118 118 GLN N N 118 117.591 117.591 118.679 -1.088 19954 1213 1 2 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.846 -0.069 19954 1214 1 2 . 1 1 118 118 GLN CA C 118 57.184 57.184 59.615 -2.431 19954 1215 1 2 . 1 1 118 118 GLN CB C 118 31.541 31.541 27.630 3.911 19954 1216 1 2 . 1 1 118 118 GLN H H 118 8.418 8.418 8.714 -0.296 19954 1217 1 2 . 1 1 119 119 ASP N N 119 119.281 119.281 119.079 0.202 19954 1218 1 2 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.571 -0.281 19954 1219 1 2 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.735 -3.142 19954 1220 1 2 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.334 -1.431 19954 1221 1 2 . 1 1 119 119 ASP H H 119 7.973 7.973 8.700 -0.727 19954 1222 1 2 . 1 1 120 120 HIS N N 120 118.871 118.871 117.773 1.098 19954 1223 1 2 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.109 0.231 19954 1224 1 2 . 1 1 120 120 HIS CA C 120 55.758 55.758 59.116 -3.358 19954 1225 1 2 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.653 -1.925 19954 1226 1 2 . 1 1 120 120 HIS H H 120 8.702 8.702 8.401 0.301 19954 1227 1 2 . 1 1 121 121 LYS N N 121 120.739 120.739 118.665 2.074 19954 1228 1 2 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.967 -0.199 19954 1229 1 2 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.440 0.245 19954 1230 1 2 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.660 -0.737 19954 1231 1 2 . 1 1 121 121 LYS H H 121 8.990 8.990 8.773 0.217 19954 1232 1 2 . 1 1 122 122 GLU N N 122 117.889 117.889 119.596 -1.707 19954 1233 1 2 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.001 0.061 19954 1234 1 2 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.477 -3.372 19954 1235 1 2 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.080 -2.389 19954 1236 1 2 . 1 1 122 122 GLU H H 122 7.615 7.615 7.882 -0.267 19954 1237 1 2 . 1 1 123 123 LYS N N 123 119.139 119.139 118.989 0.150 19954 1238 1 2 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.092 -0.133 19954 1239 1 2 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.785 -2.183 19954 1240 1 2 . 1 1 123 123 LYS CB C 123 30.223 30.223 32.010 -1.787 19954 1241 1 2 . 1 1 123 123 LYS H H 123 7.550 7.550 7.611 -0.061 19954 1242 1 2 . 1 1 124 124 ILE N N 124 123.103 123.103 119.917 3.186 19954 1243 1 2 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.538 -0.312 19954 1244 1 2 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.683 -1.999 19954 1245 1 2 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.536 -2.793 19954 1246 1 2 . 1 1 124 124 ILE H H 124 8.356 8.356 7.804 0.552 19954 1247 1 2 . 1 1 125 125 ARG N N 125 122.162 122.162 119.723 2.439 19954 1248 1 2 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.857 -0.751 19954 1249 1 2 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.636 -1.612 19954 1250 1 2 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.079 1.891 19954 1251 1 2 . 1 1 125 125 ARG H H 125 7.988 7.988 7.943 0.045 19954 1252 1 2 . 1 1 126 126 MET N N 126 115.215 115.215 118.821 -3.606 19954 1253 1 2 . 1 1 126 126 MET HA H 126 3.973 3.973 4.084 -0.111 19954 1254 1 2 . 1 1 126 126 MET CA C 126 55.896 55.896 59.092 -3.196 19954 1255 1 2 . 1 1 126 126 MET CB C 126 29.856 29.856 32.446 -2.590 19954 1256 1 2 . 1 1 126 126 MET H H 126 7.455 7.455 7.738 -0.283 19954 1257 1 2 . 1 1 127 127 LEU N N 127 122.351 122.351 120.907 1.444 19954 1258 1 2 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.758 -0.206 19954 1259 1 2 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.906 -3.118 19954 1260 1 2 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.303 -2.025 19954 1261 1 2 . 1 1 127 127 LEU H H 127 7.479 7.479 7.820 -0.341 19954 1262 1 2 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.538 0.345 19954 1263 1 2 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.236 -2.889 19954 1264 1 2 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.410 -2.601 19954 1265 1 2 . 1 1 128 128 LEU H H 128 7.841 7.841 7.991 -0.150 19954 1266 1 2 . 1 1 129 129 ASP N N 129 116.915 116.915 119.384 -2.469 19954 1267 1 2 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.347 0.040 19954 1268 1 2 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.431 -4.832 19954 1269 1 2 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.744 -2.878 19954 1270 1 2 . 1 1 129 129 ASP H H 129 7.034 7.034 7.767 -0.733 19954 1271 1 2 . 1 1 130 130 ILE N N 130 124.155 124.155 120.099 4.056 19954 1272 1 2 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.656 -0.013 19954 1273 1 2 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.058 -1.682 19954 1274 1 2 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.722 -2.938 19954 1275 1 2 . 1 1 130 130 ILE H H 130 7.671 7.671 7.682 -0.011 19954 1276 1 2 . 1 1 131 131 TRP N N 131 125.421 125.421 120.721 4.700 19954 1277 1 2 . 1 1 131 131 TRP H H 131 8.831 8.831 8.055 0.776 19954 1278 1 2 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.187 3.252 19954 1279 1 2 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.150 0.333 19954 1280 1 2 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.395 -4.658 19954 1281 1 2 . 1 1 144 144 ALA N N 144 121.013 121.013 121.855 -0.842 19954 1282 1 2 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.979 0.125 19954 1283 1 2 . 1 1 144 144 ALA CA C 144 52.678 52.678 55.181 -2.503 19954 1284 1 2 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.832 -3.456 19954 1285 1 2 . 1 1 144 144 ALA H H 144 8.212 8.212 8.182 0.030 19954 1286 1 2 . 1 1 145 145 ILE N N 145 117.646 117.646 115.596 2.050 19954 1287 1 2 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.732 0.096 19954 1288 1 2 . 1 1 145 145 ILE CA C 145 58.344 58.344 63.139 -4.795 19954 1289 1 2 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.735 0.407 19954 1290 1 2 . 1 1 145 145 ILE H H 145 7.183 7.183 7.834 -0.651 19954 1291 1 2 . 1 1 146 146 ARG N N 146 121.150 121.150 121.303 -0.153 19954 1292 1 2 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.829 0.073 19954 1293 1 2 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.568 -0.103 19954 1294 1 2 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.258 -2.475 19954 1295 1 2 . 1 1 146 146 ARG H H 146 8.477 8.477 8.276 0.201 19954 1296 1 2 . 1 1 147 147 SER N N 147 111.836 111.836 115.754 -3.918 19954 1297 1 2 . 1 1 147 147 SER HA H 147 4.162 4.162 4.249 -0.087 19954 1298 1 2 . 1 1 147 147 SER CA C 147 58.642 58.642 58.867 -0.225 19954 1299 1 2 . 1 1 147 147 SER CB C 147 60.972 60.972 62.782 -1.810 19954 1300 1 2 . 1 1 147 147 SER H H 147 8.187 8.187 7.532 0.655 19954 1301 1 2 . 1 1 148 148 LYS N N 148 118.675 118.675 125.780 -7.105 19954 1302 1 2 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.868 0.270 19954 1303 1 2 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.431 -3.414 19954 1304 1 2 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.831 -0.051 19954 1305 1 2 . 1 1 148 148 LYS H H 148 7.837 7.837 8.575 -0.738 19954 1306 1 2 . 1 1 149 149 CYS N N 149 113.256 113.256 118.398 -5.142 19954 1307 1 2 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.199 0.393 19954 1308 1 2 . 1 1 149 149 CYS CA C 149 52.012 52.012 61.901 -9.889 19954 1309 1 2 . 1 1 149 149 CYS H H 149 8.267 8.267 8.200 0.067 19954 1310 1 2 . 1 1 150 150 PHE N N 150 116.623 116.623 120.895 -4.272 19954 1311 1 2 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.035 0.909 19954 1312 1 2 . 1 1 150 150 PHE CA C 150 54.409 54.409 60.940 -6.531 19954 1313 1 2 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.211 -0.158 19954 1314 1 2 . 1 1 150 150 PHE H H 150 7.373 7.373 8.682 -1.309 19954 1315 1 2 . 1 1 151 151 ALA N N 151 122.583 122.583 121.293 1.290 19954 1316 1 2 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.835 0.344 19954 1317 1 2 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.257 -4.616 19954 1318 1 2 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.458 -2.519 19954 1319 1 2 . 1 1 151 151 ALA H H 151 7.710 7.710 8.569 -0.859 19954 1320 1 2 . 1 1 152 152 MET N N 152 118.250 118.250 117.619 0.631 19954 1321 1 2 . 1 1 152 152 MET HA H 152 4.262 4.262 4.066 0.196 19954 1322 1 2 . 1 1 152 152 MET CA C 152 53.482 53.482 58.510 -5.028 19954 1323 1 2 . 1 1 152 152 MET CB C 152 30.488 30.488 32.535 -2.047 19954 1324 1 2 . 1 1 152 152 MET H H 152 8.086 8.086 8.042 0.044 19954 1325 1 2 . 1 1 153 153 ASP N N 153 121.780 121.780 120.090 1.690 19954 1326 1 2 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.362 0.116 19954 1327 1 2 . 1 1 153 153 ASP CA C 153 51.626 51.626 57.087 -5.461 19954 1328 1 2 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.432 -2.973 19954 1329 1 2 . 1 1 153 153 ASP H H 153 8.299 8.299 7.982 0.317 19954 1330 1 2 . 1 1 154 154 LEU N N 154 122.337 122.337 115.812 6.525 19954 1331 1 2 . 1 1 154 154 LEU HA H 154 4.108 4.108 3.907 0.201 19954 1332 1 2 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.614 -3.760 19954 1333 1 2 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.424 -1.708 19954 1334 1 2 . 1 1 154 154 LEU H H 154 8.072 8.072 7.614 0.458 19954 1335 1 2 . 1 1 155 155 GLU N N 155 119.995 119.995 118.687 1.308 19954 1336 1 2 . 1 1 155 155 GLU HA H 155 3.995 3.995 3.928 0.067 19954 1337 1 2 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.112 -2.813 19954 1338 1 2 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.509 -1.875 19954 1339 1 2 . 1 1 155 155 GLU H H 155 8.151 8.151 7.781 0.370 19954 1340 1 2 . 1 1 156 156 HIS N N 156 118.980 118.980 121.939 -2.959 19954 1341 1 2 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.465 -0.245 19954 1342 1 2 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.346 -2.903 19954 1343 1 2 . 1 1 156 156 HIS H H 156 8.007 8.007 7.883 0.124 19954 1344 1 2 . 1 1 157 157 HIS N N 157 121.956 121.956 119.927 2.029 19954 1345 1 2 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.304 0.107 19954 1346 1 2 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.842 -4.590 19954 1347 1 2 . 1 1 157 157 HIS H H 157 8.580 8.580 8.550 0.030 19954 1348 1 2 . 1 1 158 158 HIS N N 158 125.474 125.474 121.772 3.702 19954 1349 1 2 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.692 -1.064 19954 1350 1 2 . 1 1 158 158 HIS H H 158 7.906 7.906 8.619 -0.713 19954 1351 1 3 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.824 -0.509 19954 1352 1 3 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.136 -3.422 19954 1353 1 3 . 1 1 5 5 ASP N N 5 120.880 120.880 120.097 0.783 19954 1354 1 3 . 1 1 5 5 ASP HA H 5 4.454 4.454 5.016 -0.562 19954 1355 1 3 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.963 -1.388 19954 1356 1 3 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.540 -2.816 19954 1357 1 3 . 1 1 5 5 ASP H H 5 8.277 8.277 8.344 -0.067 19954 1358 1 3 . 1 1 6 6 ASP N N 6 120.876 120.876 119.816 1.060 19954 1359 1 3 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.829 -0.347 19954 1360 1 3 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.842 -0.880 19954 1361 1 3 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.880 -4.322 19954 1362 1 3 . 1 1 6 6 ASP H H 6 8.497 8.497 8.007 0.490 19954 1363 1 3 . 1 1 7 7 PHE N N 7 122.789 122.789 120.113 2.676 19954 1364 1 3 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.301 -0.192 19954 1365 1 3 . 1 1 7 7 PHE CA C 7 58.870 58.870 61.360 -2.490 19954 1366 1 3 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.541 -2.874 19954 1367 1 3 . 1 1 7 7 PHE H H 7 8.337 8.337 9.021 -0.684 19954 1368 1 3 . 1 1 8 8 GLN N N 8 116.255 116.255 119.512 -3.257 19954 1369 1 3 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.834 -0.085 19954 1370 1 3 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.682 -3.956 19954 1371 1 3 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.045 -3.257 19954 1372 1 3 . 1 1 8 8 GLN H H 8 8.488 8.488 8.708 -0.220 19954 1373 1 3 . 1 1 9 9 ASN N N 9 118.242 118.242 118.085 0.157 19954 1374 1 3 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.312 0.002 19954 1375 1 3 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.112 -2.537 19954 1376 1 3 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.374 -2.121 19954 1377 1 3 . 1 1 9 9 ASN H H 9 7.801 7.801 7.747 0.054 19954 1378 1 3 . 1 1 10 10 PHE N N 10 124.982 124.982 121.219 3.763 19954 1379 1 3 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.674 -0.220 19954 1380 1 3 . 1 1 10 10 PHE CA C 10 58.994 58.994 60.697 -1.703 19954 1381 1 3 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.135 -3.100 19954 1382 1 3 . 1 1 10 10 PHE H H 10 6.924 6.924 6.926 -0.002 19954 1383 1 3 . 1 1 11 11 VAL N N 11 118.513 118.513 118.528 -0.015 19954 1384 1 3 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.091 -0.257 19954 1385 1 3 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.118 -1.887 19954 1386 1 3 . 1 1 11 11 VAL CB C 11 30.078 30.078 30.816 -0.738 19954 1387 1 3 . 1 1 11 11 VAL H H 11 7.448 7.448 7.854 -0.406 19954 1388 1 3 . 1 1 12 12 ALA N N 12 119.214 119.214 121.363 -2.149 19954 1389 1 3 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.830 0.054 19954 1390 1 3 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.683 -3.257 19954 1391 1 3 . 1 1 12 12 ALA CB C 12 15.649 15.649 18.066 -2.417 19954 1392 1 3 . 1 1 12 12 ALA H H 12 8.028 8.028 8.525 -0.497 19954 1393 1 3 . 1 1 13 13 THR N N 13 116.435 116.435 115.835 0.600 19954 1394 1 3 . 1 1 13 13 THR HA H 13 3.624 3.624 3.848 -0.224 19954 1395 1 3 . 1 1 13 13 THR CA C 13 64.041 64.041 66.174 -2.133 19954 1396 1 3 . 1 1 13 13 THR CB C 13 65.118 65.118 68.241 -3.123 19954 1397 1 3 . 1 1 13 13 THR H H 13 7.638 7.638 7.789 -0.151 19954 1398 1 3 . 1 1 14 14 LEU N N 14 126.284 126.284 121.804 4.480 19954 1399 1 3 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.571 0.059 19954 1400 1 3 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.909 -2.422 19954 1401 1 3 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.215 -2.363 19954 1402 1 3 . 1 1 14 14 LEU H H 14 7.975 7.975 7.521 0.454 19954 1403 1 3 . 1 1 15 15 GLU N N 15 116.145 116.145 118.296 -2.151 19954 1404 1 3 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.870 -0.053 19954 1405 1 3 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.713 -3.319 19954 1406 1 3 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.003 -2.095 19954 1407 1 3 . 1 1 15 15 GLU H H 15 8.503 8.503 8.540 -0.037 19954 1408 1 3 . 1 1 16 16 SER N N 16 114.452 114.452 114.495 -0.043 19954 1409 1 3 . 1 1 16 16 SER HA H 16 4.196 4.196 4.224 -0.028 19954 1410 1 3 . 1 1 16 16 SER CA C 16 58.515 58.515 61.047 -2.532 19954 1411 1 3 . 1 1 16 16 SER CB C 16 60.155 60.155 62.834 -2.679 19954 1412 1 3 . 1 1 16 16 SER H H 16 7.643 7.643 8.015 -0.372 19954 1413 1 3 . 1 1 17 17 PHE N N 17 124.020 124.020 122.187 1.833 19954 1414 1 3 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.146 -0.322 19954 1415 1 3 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.880 -1.544 19954 1416 1 3 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.895 -2.041 19954 1417 1 3 . 1 1 17 17 PHE H H 17 8.082 8.082 8.051 0.031 19954 1418 1 3 . 1 1 18 18 LYS N N 18 116.570 116.570 117.898 -1.328 19954 1419 1 3 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.102 -0.155 19954 1420 1 3 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.513 -1.658 19954 1421 1 3 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.889 -2.437 19954 1422 1 3 . 1 1 18 18 LYS H H 18 7.849 7.849 7.938 -0.089 19954 1423 1 3 . 1 1 19 19 ASP N N 19 116.332 116.332 119.837 -3.505 19954 1424 1 3 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.460 0.079 19954 1425 1 3 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.708 -3.551 19954 1426 1 3 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.401 -2.698 19954 1427 1 3 . 1 1 19 19 ASP H H 19 7.276 7.276 7.820 -0.544 19954 1428 1 3 . 1 1 20 20 LEU N N 20 119.769 119.769 119.411 0.358 19954 1429 1 3 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.127 0.272 19954 1430 1 3 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.492 -4.493 19954 1431 1 3 . 1 1 20 20 LEU H H 20 7.226 7.226 7.445 -0.219 19954 1432 1 3 . 1 1 21 21 LYS N N 21 126.041 126.041 119.992 6.049 19954 1433 1 3 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.048 0.015 19954 1434 1 3 . 1 1 21 21 LYS CA C 21 56.849 56.849 58.624 -1.775 19954 1435 1 3 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.469 -0.835 19954 1436 1 3 . 1 1 21 21 LYS H H 21 9.203 9.203 8.583 0.620 19954 1437 1 3 . 1 1 22 22 SER N N 22 109.885 109.885 113.345 -3.460 19954 1438 1 3 . 1 1 22 22 SER HA H 22 4.322 4.322 4.461 -0.139 19954 1439 1 3 . 1 1 22 22 SER CA C 22 55.254 55.254 58.335 -3.081 19954 1440 1 3 . 1 1 22 22 SER CB C 22 62.254 62.254 64.723 -2.469 19954 1441 1 3 . 1 1 22 22 SER H H 22 8.607 8.607 7.862 0.745 19954 1442 1 3 . 1 1 23 23 GLY N N 23 106.286 106.286 107.714 -1.428 19954 1443 1 3 . 1 1 23 23 GLY CA C 23 43.980 43.980 45.010 -1.030 19954 1444 1 3 . 1 1 23 23 GLY H H 23 6.619 6.619 7.908 -1.289 19954 1445 1 3 . 1 1 24 24 ILE N N 24 118.883 118.883 117.948 0.935 19954 1446 1 3 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.211 -0.227 19954 1447 1 3 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.016 -0.848 19954 1448 1 3 . 1 1 24 24 ILE CB C 24 39.646 39.646 41.502 -1.856 19954 1449 1 3 . 1 1 24 24 ILE H H 24 7.929 7.929 7.413 0.516 19954 1450 1 3 . 1 1 25 25 SER N N 25 117.952 117.952 120.766 -2.814 19954 1451 1 3 . 1 1 25 25 SER HA H 25 5.093 5.093 4.623 0.470 19954 1452 1 3 . 1 1 25 25 SER CA C 25 52.534 52.534 58.552 -6.018 19954 1453 1 3 . 1 1 25 25 SER CB C 25 61.938 61.938 66.234 -4.296 19954 1454 1 3 . 1 1 25 25 SER H H 25 5.660 5.660 8.852 -3.192 19954 1455 1 3 . 1 1 26 26 GLY N N 26 120.266 120.266 114.075 6.191 19954 1456 1 3 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.336 -1.849 19954 1457 1 3 . 1 1 26 26 GLY H H 26 8.596 8.596 8.666 -0.070 19954 1458 1 3 . 1 1 27 27 SER N N 27 120.500 120.500 116.386 4.114 19954 1459 1 3 . 1 1 27 27 SER HA H 27 4.410 4.410 4.133 0.277 19954 1460 1 3 . 1 1 27 27 SER CA C 27 58.793 58.793 61.831 -3.038 19954 1461 1 3 . 1 1 27 27 SER CB C 27 62.224 62.224 63.127 -0.903 19954 1462 1 3 . 1 1 27 27 SER H H 27 9.846 9.846 8.207 1.639 19954 1463 1 3 . 1 1 28 28 ARG N N 28 123.779 123.779 119.745 4.034 19954 1464 1 3 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.876 0.009 19954 1465 1 3 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.486 -2.646 19954 1466 1 3 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.642 -1.528 19954 1467 1 3 . 1 1 28 28 ARG H H 28 8.034 8.034 8.183 -0.149 19954 1468 1 3 . 1 1 29 29 ILE N N 29 120.700 120.700 120.093 0.607 19954 1469 1 3 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.245 0.227 19954 1470 1 3 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.121 -0.492 19954 1471 1 3 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.171 -1.503 19954 1472 1 3 . 1 1 29 29 ILE H H 29 8.374 8.374 7.564 0.810 19954 1473 1 3 . 1 1 30 30 LYS N N 30 124.209 124.209 119.973 4.236 19954 1474 1 3 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.896 0.132 19954 1475 1 3 . 1 1 30 30 LYS CA C 30 57.401 57.401 59.910 -2.509 19954 1476 1 3 . 1 1 30 30 LYS CB C 30 29.280 29.280 31.983 -2.703 19954 1477 1 3 . 1 1 30 30 LYS H H 30 8.231 8.231 8.392 -0.161 19954 1478 1 3 . 1 1 31 31 LYS N N 31 120.422 120.422 119.434 0.988 19954 1479 1 3 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.045 -0.007 19954 1480 1 3 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.225 -1.607 19954 1481 1 3 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.029 -1.859 19954 1482 1 3 . 1 1 31 31 LYS H H 31 7.449 7.449 7.725 -0.276 19954 1483 1 3 . 1 1 32 32 LEU N N 32 118.348 118.348 119.500 -1.152 19954 1484 1 3 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.113 -0.052 19954 1485 1 3 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.737 -3.327 19954 1486 1 3 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.355 -1.573 19954 1487 1 3 . 1 1 32 32 LEU H H 32 8.186 8.186 7.965 0.221 19954 1488 1 3 . 1 1 33 33 THR N N 33 116.500 116.500 115.829 0.671 19954 1489 1 3 . 1 1 33 33 THR HA H 33 3.662 3.662 3.912 -0.250 19954 1490 1 3 . 1 1 33 33 THR CA C 33 64.726 64.726 67.559 -2.833 19954 1491 1 3 . 1 1 33 33 THR CB C 33 66.097 66.097 68.358 -2.261 19954 1492 1 3 . 1 1 33 33 THR H H 33 8.066 8.066 8.540 -0.474 19954 1493 1 3 . 1 1 34 34 THR N N 34 119.029 119.029 117.770 1.259 19954 1494 1 3 . 1 1 34 34 THR HA H 34 3.759 3.759 3.898 -0.139 19954 1495 1 3 . 1 1 34 34 THR CA C 34 64.291 64.291 66.652 -2.361 19954 1496 1 3 . 1 1 34 34 THR CB C 34 66.733 66.733 68.961 -2.228 19954 1497 1 3 . 1 1 34 34 THR H H 34 8.685 8.685 8.118 0.567 19954 1498 1 3 . 1 1 35 35 TYR N N 35 120.298 120.298 122.194 -1.896 19954 1499 1 3 . 1 1 35 35 TYR HA H 35 4.202 4.202 3.887 0.315 19954 1500 1 3 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.907 -1.753 19954 1501 1 3 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.190 -2.180 19954 1502 1 3 . 1 1 35 35 TYR H H 35 7.663 7.663 8.169 -0.506 19954 1503 1 3 . 1 1 36 36 ALA N N 36 121.480 121.480 121.906 -0.426 19954 1504 1 3 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.964 -0.052 19954 1505 1 3 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.167 -2.031 19954 1506 1 3 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.416 -3.543 19954 1507 1 3 . 1 1 36 36 ALA H H 36 8.543 8.543 8.564 -0.021 19954 1508 1 3 . 1 1 37 37 LEU N N 37 120.767 120.767 119.006 1.761 19954 1509 1 3 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.900 0.203 19954 1510 1 3 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.452 -3.611 19954 1511 1 3 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.877 -1.695 19954 1512 1 3 . 1 1 37 37 LEU H H 37 8.351 8.351 8.180 0.171 19954 1513 1 3 . 1 1 38 38 ASP N N 38 119.008 119.008 117.282 1.726 19954 1514 1 3 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.281 0.175 19954 1515 1 3 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.131 -3.991 19954 1516 1 3 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.007 -2.108 19954 1517 1 3 . 1 1 38 38 ASP H H 38 7.557 7.557 8.023 -0.466 19954 1518 1 3 . 1 1 39 39 HIS N N 39 118.142 118.142 117.519 0.623 19954 1519 1 3 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.687 -0.062 19954 1520 1 3 . 1 1 39 39 HIS CA C 39 52.146 52.146 53.879 -1.733 19954 1521 1 3 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.195 -3.689 19954 1522 1 3 . 1 1 39 39 HIS H H 39 7.094 7.094 7.780 -0.686 19954 1523 1 3 . 1 1 40 40 ILE N N 40 121.885 121.885 122.684 -0.799 19954 1524 1 3 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.927 -0.501 19954 1525 1 3 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.432 1.161 19954 1526 1 3 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.258 -1.085 19954 1527 1 3 . 1 1 40 40 ILE H H 40 7.630 7.630 8.189 -0.559 19954 1528 1 3 . 1 1 41 41 ASP N N 41 114.814 114.814 118.424 -3.610 19954 1529 1 3 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.603 -0.417 19954 1530 1 3 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.372 -0.356 19954 1531 1 3 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.525 -3.689 19954 1532 1 3 . 1 1 41 41 ASP H H 41 8.433 8.433 8.475 -0.042 19954 1533 1 3 . 1 1 42 42 ILE N N 42 113.793 113.793 112.766 1.027 19954 1534 1 3 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.622 0.090 19954 1535 1 3 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.508 -2.267 19954 1536 1 3 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.505 -3.610 19954 1537 1 3 . 1 1 42 42 ILE H H 42 7.447 7.447 7.266 0.181 19954 1538 1 3 . 1 1 43 43 GLU N N 43 120.845 120.845 123.076 -2.231 19954 1539 1 3 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.101 -0.055 19954 1540 1 3 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.623 -2.855 19954 1541 1 3 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.556 -4.540 19954 1542 1 3 . 1 1 43 43 GLU H H 43 8.195 8.195 7.976 0.219 19954 1543 1 3 . 1 1 44 44 SER N N 44 113.781 113.781 116.241 -2.460 19954 1544 1 3 . 1 1 44 44 SER HA H 44 3.944 3.944 4.052 -0.108 19954 1545 1 3 . 1 1 44 44 SER CA C 44 59.590 59.590 62.152 -2.562 19954 1546 1 3 . 1 1 44 44 SER CB C 44 59.878 59.878 62.742 -2.864 19954 1547 1 3 . 1 1 44 44 SER H H 44 8.728 8.728 8.649 0.079 19954 1548 1 3 . 1 1 45 45 LYS N N 45 121.258 121.258 121.609 -0.351 19954 1549 1 3 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.035 0.044 19954 1550 1 3 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.791 -2.601 19954 1551 1 3 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.233 -0.756 19954 1552 1 3 . 1 1 45 45 LYS H H 45 7.329 7.329 8.247 -0.918 19954 1553 1 3 . 1 1 46 46 ILE N N 46 121.022 121.022 121.727 -0.705 19954 1554 1 3 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.917 -0.554 19954 1555 1 3 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.134 -1.877 19954 1556 1 3 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.722 -0.830 19954 1557 1 3 . 1 1 46 46 ILE H H 46 7.360 7.360 8.008 -0.648 19954 1558 1 3 . 1 1 47 47 ILE N N 47 118.543 118.543 119.298 -0.755 19954 1559 1 3 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.649 0.090 19954 1560 1 3 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.225 -5.569 19954 1561 1 3 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.342 -4.214 19954 1562 1 3 . 1 1 47 47 ILE H H 47 9.378 9.378 8.283 1.095 19954 1563 1 3 . 1 1 48 48 SER N N 48 113.001 113.001 115.458 -2.457 19954 1564 1 3 . 1 1 48 48 SER HA H 48 4.016 4.016 4.219 -0.203 19954 1565 1 3 . 1 1 48 48 SER CA C 48 59.574 59.574 62.242 -2.668 19954 1566 1 3 . 1 1 48 48 SER CB C 48 60.341 60.341 63.164 -2.823 19954 1567 1 3 . 1 1 48 48 SER H H 48 7.382 7.382 8.486 -1.104 19954 1568 1 3 . 1 1 49 49 LEU N N 49 120.059 120.059 123.320 -3.261 19954 1569 1 3 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.164 0.006 19954 1570 1 3 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.363 -2.697 19954 1571 1 3 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.130 -2.381 19954 1572 1 3 . 1 1 49 49 LEU H H 49 7.477 7.477 8.269 -0.792 19954 1573 1 3 . 1 1 50 50 ILE N N 50 115.429 115.429 117.524 -2.095 19954 1574 1 3 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.512 0.581 19954 1575 1 3 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.067 -2.263 19954 1576 1 3 . 1 1 50 50 ILE H H 50 8.081 8.081 7.883 0.198 19954 1577 1 3 . 1 1 51 51 ILE N N 51 125.106 125.106 121.647 3.459 19954 1578 1 3 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.601 -0.146 19954 1579 1 3 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.108 -1.960 19954 1580 1 3 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.778 -2.059 19954 1581 1 3 . 1 1 51 51 ILE H H 51 8.194 8.194 8.160 0.034 19954 1582 1 3 . 1 1 52 52 ASP N N 52 119.519 119.519 120.147 -0.628 19954 1583 1 3 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.297 -0.053 19954 1584 1 3 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.839 -2.855 19954 1585 1 3 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.172 -3.307 19954 1586 1 3 . 1 1 52 52 ASP H H 52 7.850 7.850 8.393 -0.543 19954 1587 1 3 . 1 1 53 53 TYR N N 53 118.402 118.402 120.468 -2.066 19954 1588 1 3 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.052 -0.160 19954 1589 1 3 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.065 -1.320 19954 1590 1 3 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.389 -2.525 19954 1591 1 3 . 1 1 53 53 TYR H H 53 8.260 8.260 8.784 -0.524 19954 1592 1 3 . 1 1 54 54 SER N N 54 111.626 111.626 116.469 -4.843 19954 1593 1 3 . 1 1 54 54 SER HA H 54 4.058 4.058 3.929 0.129 19954 1594 1 3 . 1 1 54 54 SER CA C 54 58.733 58.733 61.044 -2.311 19954 1595 1 3 . 1 1 54 54 SER CB C 54 62.430 62.430 63.511 -1.081 19954 1596 1 3 . 1 1 54 54 SER H H 54 7.316 7.316 7.995 -0.679 19954 1597 1 3 . 1 1 55 55 ARG N N 55 114.937 114.937 121.624 -6.687 19954 1598 1 3 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.682 0.490 19954 1599 1 3 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.947 -1.673 19954 1600 1 3 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.692 -1.442 19954 1601 1 3 . 1 1 55 55 ARG H H 55 7.901 7.901 7.485 0.416 19954 1602 1 3 . 1 1 56 56 LEU N N 56 116.307 116.307 120.109 -3.802 19954 1603 1 3 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.009 0.194 19954 1604 1 3 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.722 -3.922 19954 1605 1 3 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.020 -1.152 19954 1606 1 3 . 1 1 56 56 LEU H H 56 7.802 7.802 7.616 0.186 19954 1607 1 3 . 1 1 57 57 CYS N N 57 119.062 119.062 117.653 1.409 19954 1608 1 3 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.225 0.015 19954 1609 1 3 . 1 1 57 57 CYS CA C 57 53.750 53.750 59.563 -5.813 19954 1610 1 3 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.833 -5.757 19954 1611 1 3 . 1 1 57 57 CYS H H 57 7.717 7.717 7.411 0.306 19954 1612 1 3 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.379 -0.034 19954 1613 1 3 . 1 1 58 58 PRO CA C 58 60.482 60.482 64.963 -4.481 19954 1614 1 3 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.072 -1.912 19954 1615 1 3 . 1 1 59 59 ASP N N 59 123.671 123.671 116.551 7.120 19954 1616 1 3 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.232 -0.315 19954 1617 1 3 . 1 1 59 59 ASP CA C 59 55.814 55.814 57.985 -2.171 19954 1618 1 3 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.500 -2.576 19954 1619 1 3 . 1 1 59 59 ASP H H 59 8.696 8.696 8.641 0.055 19954 1620 1 3 . 1 1 60 60 SER N N 60 110.600 110.600 116.333 -5.733 19954 1621 1 3 . 1 1 60 60 SER HA H 60 4.103 4.103 3.978 0.125 19954 1622 1 3 . 1 1 60 60 SER CA C 60 57.379 57.379 61.463 -4.084 19954 1623 1 3 . 1 1 60 60 SER CB C 60 61.562 61.562 62.398 -0.836 19954 1624 1 3 . 1 1 60 60 SER H H 60 8.119 8.119 8.412 -0.293 19954 1625 1 3 . 1 1 61 61 HIS N N 61 122.391 122.391 120.615 1.776 19954 1626 1 3 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.191 0.442 19954 1627 1 3 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.960 -4.246 19954 1628 1 3 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.174 0.768 19954 1629 1 3 . 1 1 61 61 HIS H H 61 8.123 8.123 8.575 -0.452 19954 1630 1 3 . 1 1 62 62 LYS N N 62 121.665 121.665 119.397 2.268 19954 1631 1 3 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.254 0.441 19954 1632 1 3 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.148 -3.388 19954 1633 1 3 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.741 -1.445 19954 1634 1 3 . 1 1 62 62 LYS H H 62 7.512 7.512 6.718 0.794 19954 1635 1 3 . 1 1 63 63 LEU N N 63 117.792 117.792 119.744 -1.952 19954 1636 1 3 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.808 -0.350 19954 1637 1 3 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.020 -0.395 19954 1638 1 3 . 1 1 63 63 LEU CB C 63 38.049 38.049 40.483 -2.434 19954 1639 1 3 . 1 1 63 63 LEU H H 63 8.136 8.136 7.225 0.911 19954 1640 1 3 . 1 1 64 64 GLY N N 64 105.340 105.340 106.259 -0.919 19954 1641 1 3 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.742 -2.195 19954 1642 1 3 . 1 1 64 64 GLY H H 64 8.616 8.616 8.420 0.196 19954 1643 1 3 . 1 1 65 65 SER N N 65 117.745 117.745 118.128 -0.383 19954 1644 1 3 . 1 1 65 65 SER HA H 65 4.265 4.265 4.449 -0.184 19954 1645 1 3 . 1 1 65 65 SER CA C 65 58.998 58.998 61.625 -2.627 19954 1646 1 3 . 1 1 65 65 SER CB C 65 67.350 67.350 63.242 4.107 19954 1647 1 3 . 1 1 65 65 SER H H 65 7.894 7.894 8.076 -0.182 19954 1648 1 3 . 1 1 66 66 LEU N N 66 124.161 124.161 121.572 2.589 19954 1649 1 3 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.968 0.333 19954 1650 1 3 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.533 -4.478 19954 1651 1 3 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.809 -3.702 19954 1652 1 3 . 1 1 66 66 LEU H H 66 7.407 7.407 7.625 -0.218 19954 1653 1 3 . 1 1 67 67 TYR N N 67 121.466 121.466 117.332 4.134 19954 1654 1 3 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.255 0.289 19954 1655 1 3 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.940 -7.501 19954 1656 1 3 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.628 -3.447 19954 1657 1 3 . 1 1 67 67 TYR H H 67 8.001 8.001 7.781 0.220 19954 1658 1 3 . 1 1 68 68 ILE N N 68 121.357 121.357 120.490 0.867 19954 1659 1 3 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.545 -0.310 19954 1660 1 3 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.047 -1.665 19954 1661 1 3 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.898 -1.818 19954 1662 1 3 . 1 1 68 68 ILE H H 68 7.811 7.811 8.043 -0.232 19954 1663 1 3 . 1 1 69 69 ILE N N 69 117.955 117.955 119.480 -1.525 19954 1664 1 3 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.530 -0.181 19954 1665 1 3 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.540 -2.127 19954 1666 1 3 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.575 -1.656 19954 1667 1 3 . 1 1 69 69 ILE H H 69 6.886 6.886 8.442 -1.556 19954 1668 1 3 . 1 1 70 70 ASP N N 70 118.932 118.932 120.061 -1.129 19954 1669 1 3 . 1 1 70 70 ASP HA H 70 4.396 4.396 3.849 0.547 19954 1670 1 3 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.665 -1.630 19954 1671 1 3 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.995 0.594 19954 1672 1 3 . 1 1 70 70 ASP H H 70 9.100 9.100 8.210 0.890 19954 1673 1 3 . 1 1 71 71 SER N N 71 110.354 110.354 115.648 -5.294 19954 1674 1 3 . 1 1 71 71 SER HA H 71 4.104 4.104 4.081 0.023 19954 1675 1 3 . 1 1 71 71 SER CA C 71 58.746 58.746 61.788 -3.042 19954 1676 1 3 . 1 1 71 71 SER CB C 71 61.136 61.136 63.226 -2.090 19954 1677 1 3 . 1 1 71 71 SER H H 71 7.938 7.938 7.787 0.151 19954 1678 1 3 . 1 1 72 72 ILE N N 72 117.565 117.565 120.940 -3.375 19954 1679 1 3 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.577 -0.312 19954 1680 1 3 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.624 -0.975 19954 1681 1 3 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.468 -1.704 19954 1682 1 3 . 1 1 72 72 ILE H H 72 7.912 7.912 7.724 0.188 19954 1683 1 3 . 1 1 73 73 GLY N N 73 107.350 107.350 108.173 -0.823 19954 1684 1 3 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.044 -2.297 19954 1685 1 3 . 1 1 73 73 GLY H H 73 8.847 8.847 8.345 0.502 19954 1686 1 3 . 1 1 74 74 ARG N N 74 118.068 118.068 122.161 -4.093 19954 1687 1 3 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.836 0.114 19954 1688 1 3 . 1 1 74 74 ARG CA C 74 59.172 59.172 58.912 0.260 19954 1689 1 3 . 1 1 74 74 ARG CB C 74 27.672 27.672 29.499 -1.827 19954 1690 1 3 . 1 1 74 74 ARG H H 74 8.705 8.705 7.799 0.906 19954 1691 1 3 . 1 1 75 75 ALA N N 75 123.817 123.817 122.772 1.045 19954 1692 1 3 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.032 0.184 19954 1693 1 3 . 1 1 75 75 ALA CA C 75 52.862 52.862 54.988 -2.126 19954 1694 1 3 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.578 -3.177 19954 1695 1 3 . 1 1 75 75 ALA H H 75 7.673 7.673 8.039 -0.366 19954 1696 1 3 . 1 1 76 76 TYR N N 76 119.918 119.918 118.893 1.025 19954 1697 1 3 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.220 0.317 19954 1698 1 3 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.021 -4.928 19954 1699 1 3 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.846 -4.043 19954 1700 1 3 . 1 1 76 76 TYR H H 76 8.659 8.659 8.388 0.271 19954 1701 1 3 . 1 1 77 77 LEU N N 77 123.387 123.387 120.305 3.082 19954 1702 1 3 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.900 -0.086 19954 1703 1 3 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.582 -3.407 19954 1704 1 3 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.775 -1.901 19954 1705 1 3 . 1 1 77 77 LEU H H 77 8.756 8.756 8.545 0.211 19954 1706 1 3 . 1 1 78 78 ASP N N 78 120.181 120.181 118.396 1.785 19954 1707 1 3 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.268 0.027 19954 1708 1 3 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.806 -3.003 19954 1709 1 3 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.649 -2.826 19954 1710 1 3 . 1 1 78 78 ASP H H 78 7.891 7.891 8.162 -0.271 19954 1711 1 3 . 1 1 79 79 GLU N N 79 120.503 120.503 119.154 1.349 19954 1712 1 3 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.030 -0.012 19954 1713 1 3 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.139 -2.665 19954 1714 1 3 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.318 -2.114 19954 1715 1 3 . 1 1 79 79 GLU H H 79 7.502 7.502 7.993 -0.491 19954 1716 1 3 . 1 1 80 80 THR N N 80 111.013 111.013 115.652 -4.639 19954 1717 1 3 . 1 1 80 80 THR HA H 80 4.151 4.151 3.926 0.225 19954 1718 1 3 . 1 1 80 80 THR CA C 80 61.984 61.984 65.732 -3.748 19954 1719 1 3 . 1 1 80 80 THR CB C 80 67.420 67.420 68.818 -1.398 19954 1720 1 3 . 1 1 80 80 THR H H 80 7.883 7.883 7.995 -0.112 19954 1721 1 3 . 1 1 81 81 ARG N N 81 120.172 120.172 121.293 -1.121 19954 1722 1 3 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.032 0.047 19954 1723 1 3 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.901 -3.764 19954 1724 1 3 . 1 1 81 81 ARG H H 81 7.471 7.471 8.262 -0.791 19954 1725 1 3 . 1 1 82 82 SER N N 82 113.571 113.571 112.696 0.875 19954 1726 1 3 . 1 1 82 82 SER HA H 82 4.329 4.329 4.304 0.025 19954 1727 1 3 . 1 1 82 82 SER CA C 82 56.193 56.193 60.705 -4.512 19954 1728 1 3 . 1 1 82 82 SER CB C 82 72.312 72.312 63.369 8.943 19954 1729 1 3 . 1 1 82 82 SER H H 82 7.744 7.744 7.926 -0.182 19954 1730 1 3 . 1 1 83 83 ASN N N 83 119.990 119.990 117.337 2.653 19954 1731 1 3 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.834 -0.092 19954 1732 1 3 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.586 -3.423 19954 1733 1 3 . 1 1 83 83 ASN H H 83 7.792 7.792 7.877 -0.085 19954 1734 1 3 . 1 1 84 84 SER N N 84 116.799 116.799 112.399 4.400 19954 1735 1 3 . 1 1 84 84 SER HA H 84 4.291 4.291 4.635 -0.344 19954 1736 1 3 . 1 1 84 84 SER CA C 84 56.325 56.325 57.235 -0.910 19954 1737 1 3 . 1 1 84 84 SER H H 84 8.352 8.352 8.128 0.224 19954 1738 1 3 . 1 1 85 85 ASN N N 85 120.087 120.087 119.008 1.079 19954 1739 1 3 . 1 1 85 85 ASN HA H 85 4.667 4.667 5.177 -0.510 19954 1740 1 3 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.356 -1.548 19954 1741 1 3 . 1 1 85 85 ASN H H 85 8.362 8.362 8.270 0.092 19954 1742 1 3 . 1 1 86 86 SER N N 86 116.068 116.068 113.241 2.827 19954 1743 1 3 . 1 1 86 86 SER HA H 86 4.362 4.362 4.695 -0.333 19954 1744 1 3 . 1 1 86 86 SER CA C 86 55.853 55.853 56.773 -0.920 19954 1745 1 3 . 1 1 86 86 SER H H 86 8.102 8.102 8.028 0.074 19954 1746 1 3 . 1 1 87 87 SER N N 87 117.615 117.615 115.769 1.846 19954 1747 1 3 . 1 1 87 87 SER HA H 87 4.302 4.302 4.503 -0.201 19954 1748 1 3 . 1 1 87 87 SER CA C 87 55.608 55.608 59.100 -3.492 19954 1749 1 3 . 1 1 87 87 SER H H 87 8.269 8.269 8.370 -0.101 19954 1750 1 3 . 1 1 88 88 SER N N 88 122.455 122.455 114.257 8.198 19954 1751 1 3 . 1 1 88 88 SER CA C 88 53.710 53.710 57.876 -4.166 19954 1752 1 3 . 1 1 88 88 SER H H 88 8.377 8.377 8.493 -0.116 19954 1753 1 3 . 1 1 89 89 ASN N N 89 115.430 115.430 122.239 -6.809 19954 1754 1 3 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.910 4.990 19954 1755 1 3 . 1 1 89 89 ASN H H 89 8.141 8.141 8.754 -0.613 19954 1756 1 3 . 1 1 90 90 LYS N N 90 128.071 128.071 120.540 7.531 19954 1757 1 3 . 1 1 90 90 LYS CA C 90 55.381 55.381 53.438 1.943 19954 1758 1 3 . 1 1 90 90 LYS H H 90 7.961 7.961 8.074 -0.113 19954 1759 1 3 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.382 -0.977 19954 1760 1 3 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.815 -2.194 19954 1761 1 3 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.745 -4.052 19954 1762 1 3 . 1 1 92 92 GLY N N 92 112.403 112.403 105.393 7.010 19954 1763 1 3 . 1 1 92 92 GLY CA C 92 43.305 43.305 45.941 -2.636 19954 1764 1 3 . 1 1 92 92 GLY H H 92 10.139 10.139 8.699 1.440 19954 1765 1 3 . 1 1 93 93 THR N N 93 106.254 106.254 111.743 -5.489 19954 1766 1 3 . 1 1 93 93 THR HA H 93 4.527 4.527 5.220 -0.693 19954 1767 1 3 . 1 1 93 93 THR CA C 93 56.663 56.663 60.583 -3.920 19954 1768 1 3 . 1 1 93 93 THR CB C 93 70.927 70.927 70.264 0.663 19954 1769 1 3 . 1 1 93 93 THR H H 93 7.180 7.180 7.739 -0.558 19954 1770 1 3 . 1 1 94 94 CYS N N 94 121.465 121.465 121.053 0.412 19954 1771 1 3 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.588 -0.138 19954 1772 1 3 . 1 1 94 94 CYS CA C 94 60.867 60.867 62.610 -1.743 19954 1773 1 3 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.685 -1.439 19954 1774 1 3 . 1 1 94 94 CYS H H 94 8.777 8.777 8.614 0.163 19954 1775 1 3 . 1 1 95 95 ALA N N 95 119.619 119.619 124.074 -4.455 19954 1776 1 3 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.777 0.065 19954 1777 1 3 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.197 -2.451 19954 1778 1 3 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.968 -2.264 19954 1779 1 3 . 1 1 95 95 ALA H H 95 8.392 8.392 8.368 0.024 19954 1780 1 3 . 1 1 96 96 HIS N N 96 118.081 118.081 118.826 -0.745 19954 1781 1 3 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.202 0.004 19954 1782 1 3 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.658 -1.967 19954 1783 1 3 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.389 -2.305 19954 1784 1 3 . 1 1 96 96 HIS H H 96 7.631 7.631 7.983 -0.352 19954 1785 1 3 . 1 1 97 97 ALA N N 97 123.652 123.652 122.348 1.304 19954 1786 1 3 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.029 -0.088 19954 1787 1 3 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.480 -2.322 19954 1788 1 3 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.630 -0.966 19954 1789 1 3 . 1 1 97 97 ALA H H 97 7.347 7.347 8.457 -1.110 19954 1790 1 3 . 1 1 98 98 ILE N N 98 115.278 115.278 118.804 -3.526 19954 1791 1 3 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.099 0.425 19954 1792 1 3 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.106 -3.123 19954 1793 1 3 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.504 -1.837 19954 1794 1 3 . 1 1 98 98 ILE H H 98 7.916 7.916 8.284 -0.368 19954 1795 1 3 . 1 1 99 99 ASN N N 99 120.684 120.684 118.003 2.681 19954 1796 1 3 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.247 0.157 19954 1797 1 3 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.562 -2.423 19954 1798 1 3 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.233 -1.988 19954 1799 1 3 . 1 1 99 99 ASN H H 99 7.978 7.978 7.916 0.062 19954 1800 1 3 . 1 1 100 100 THR N N 100 117.791 117.791 117.636 0.155 19954 1801 1 3 . 1 1 100 100 THR HA H 100 3.630 3.630 3.954 -0.324 19954 1802 1 3 . 1 1 100 100 THR CA C 100 63.899 63.899 66.855 -2.956 19954 1803 1 3 . 1 1 100 100 THR CB C 100 66.038 66.038 68.817 -2.779 19954 1804 1 3 . 1 1 100 100 THR H H 100 8.295 8.295 8.249 0.046 19954 1805 1 3 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.862 -0.144 19954 1806 1 3 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.155 -3.730 19954 1807 1 3 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.588 -0.400 19954 1808 1 3 . 1 1 101 101 LEU H H 101 7.825 7.825 8.343 -0.518 19954 1809 1 3 . 1 1 102 102 GLY N N 102 105.767 105.767 103.505 2.262 19954 1810 1 3 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.697 -1.357 19954 1811 1 3 . 1 1 102 102 GLY H H 102 8.591 8.591 7.905 0.686 19954 1812 1 3 . 1 1 103 103 GLU N N 103 116.366 116.366 119.487 -3.121 19954 1813 1 3 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.404 -0.337 19954 1814 1 3 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.837 -2.391 19954 1815 1 3 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.183 -2.806 19954 1816 1 3 . 1 1 103 103 GLU H H 103 7.471 7.471 7.871 -0.400 19954 1817 1 3 . 1 1 104 104 VAL N N 104 108.377 108.377 114.358 -5.981 19954 1818 1 3 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.502 0.254 19954 1819 1 3 . 1 1 104 104 VAL CA C 104 57.855 57.855 61.150 -3.295 19954 1820 1 3 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.230 -2.352 19954 1821 1 3 . 1 1 104 104 VAL H H 104 7.016 7.016 8.049 -1.033 19954 1822 1 3 . 1 1 105 105 ILE N N 105 123.784 123.784 122.873 0.911 19954 1823 1 3 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.726 0.028 19954 1824 1 3 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.756 -6.356 19954 1825 1 3 . 1 1 105 105 ILE CB C 105 35.411 35.411 38.099 -2.688 19954 1826 1 3 . 1 1 105 105 ILE H H 105 7.197 7.197 8.710 -1.513 19954 1827 1 3 . 1 1 106 106 GLN N N 106 121.117 121.117 118.533 2.584 19954 1828 1 3 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.975 -0.320 19954 1829 1 3 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.358 -1.024 19954 1830 1 3 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.388 -0.496 19954 1831 1 3 . 1 1 106 106 GLN H H 106 8.549 8.549 8.766 -0.217 19954 1832 1 3 . 1 1 107 107 GLU N N 107 122.716 122.716 121.675 1.041 19954 1833 1 3 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.121 -0.284 19954 1834 1 3 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.707 -2.119 19954 1835 1 3 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.998 -2.464 19954 1836 1 3 . 1 1 107 107 GLU H H 107 7.762 7.762 7.954 -0.192 19954 1837 1 3 . 1 1 108 108 LEU N N 108 116.615 116.615 121.308 -4.693 19954 1838 1 3 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.018 -0.039 19954 1839 1 3 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.922 -3.128 19954 1840 1 3 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.717 -3.220 19954 1841 1 3 . 1 1 108 108 LEU H H 108 8.016 8.016 7.637 0.379 19954 1842 1 3 . 1 1 109 109 LEU N N 109 118.708 118.708 119.141 -0.433 19954 1843 1 3 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.849 -0.009 19954 1844 1 3 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.898 -3.172 19954 1845 1 3 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.766 -0.444 19954 1846 1 3 . 1 1 109 109 LEU H H 109 8.801 8.801 8.624 0.177 19954 1847 1 3 . 1 1 110 110 SER N N 110 114.083 114.083 114.714 -0.631 19954 1848 1 3 . 1 1 110 110 SER HA H 110 3.848 3.848 3.919 -0.071 19954 1849 1 3 . 1 1 110 110 SER CA C 110 60.127 60.127 61.711 -1.584 19954 1850 1 3 . 1 1 110 110 SER CB C 110 60.300 60.300 62.401 -2.101 19954 1851 1 3 . 1 1 110 110 SER H H 110 8.161 8.161 8.342 -0.181 19954 1852 1 3 . 1 1 111 111 ASP N N 111 120.151 120.151 122.783 -2.632 19954 1853 1 3 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.208 0.134 19954 1854 1 3 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.024 -2.257 19954 1855 1 3 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.346 -0.603 19954 1856 1 3 . 1 1 111 111 ASP H H 111 7.614 7.614 8.008 -0.394 19954 1857 1 3 . 1 1 112 112 ALA N N 112 116.927 116.927 122.579 -5.652 19954 1858 1 3 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.899 -0.310 19954 1859 1 3 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.290 -2.567 19954 1860 1 3 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.560 -0.913 19954 1861 1 3 . 1 1 112 112 ALA H H 112 7.662 7.662 7.960 -0.298 19954 1862 1 3 . 1 1 113 113 ILE N N 113 119.039 119.039 117.913 1.126 19954 1863 1 3 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.571 -0.344 19954 1864 1 3 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.682 -1.002 19954 1865 1 3 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.769 -1.610 19954 1866 1 3 . 1 1 113 113 ILE H H 113 8.681 8.681 8.167 0.514 19954 1867 1 3 . 1 1 114 114 ALA N N 114 120.055 120.055 121.462 -1.407 19954 1868 1 3 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.947 -0.040 19954 1869 1 3 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.633 -2.045 19954 1870 1 3 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.759 -2.628 19954 1871 1 3 . 1 1 114 114 ALA H H 114 7.716 7.716 8.100 -0.384 19954 1872 1 3 . 1 1 115 115 LYS N N 115 113.845 113.845 118.380 -4.535 19954 1873 1 3 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.074 0.009 19954 1874 1 3 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.585 -3.630 19954 1875 1 3 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.341 -0.708 19954 1876 1 3 . 1 1 115 115 LYS H H 115 7.248 7.248 8.068 -0.820 19954 1877 1 3 . 1 1 116 116 SER N N 116 115.794 115.794 113.685 2.109 19954 1878 1 3 . 1 1 116 116 SER HA H 116 4.503 4.503 4.455 0.048 19954 1879 1 3 . 1 1 116 116 SER CA C 116 57.848 57.848 59.613 -1.765 19954 1880 1 3 . 1 1 116 116 SER CB C 116 63.380 63.380 64.174 -0.794 19954 1881 1 3 . 1 1 116 116 SER H H 116 7.124 7.124 8.038 -0.914 19954 1882 1 3 . 1 1 117 117 ASN N N 117 119.747 119.747 121.176 -1.429 19954 1883 1 3 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.904 -0.382 19954 1884 1 3 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.226 -2.884 19954 1885 1 3 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.280 -3.998 19954 1886 1 3 . 1 1 117 117 ASN H H 117 8.457 8.457 8.012 0.445 19954 1887 1 3 . 1 1 118 118 GLN N N 118 117.591 117.591 119.110 -1.519 19954 1888 1 3 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.896 -0.119 19954 1889 1 3 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.194 -3.010 19954 1890 1 3 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.358 3.183 19954 1891 1 3 . 1 1 118 118 GLN H H 118 8.418 8.418 8.834 -0.416 19954 1892 1 3 . 1 1 119 119 ASP N N 119 119.281 119.281 118.713 0.568 19954 1893 1 3 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.671 -0.381 19954 1894 1 3 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.452 -2.859 19954 1895 1 3 . 1 1 119 119 ASP CB C 119 38.903 38.903 39.777 -0.874 19954 1896 1 3 . 1 1 119 119 ASP H H 119 7.973 7.973 8.609 -0.636 19954 1897 1 3 . 1 1 120 120 HIS N N 120 118.871 118.871 118.610 0.261 19954 1898 1 3 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.119 0.222 19954 1899 1 3 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.686 -2.928 19954 1900 1 3 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.617 -1.889 19954 1901 1 3 . 1 1 120 120 HIS H H 120 8.702 8.702 8.074 0.628 19954 1902 1 3 . 1 1 121 121 LYS N N 121 120.739 120.739 118.804 1.935 19954 1903 1 3 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.864 -0.096 19954 1904 1 3 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.856 -0.171 19954 1905 1 3 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.452 -0.528 19954 1906 1 3 . 1 1 121 121 LYS H H 121 8.990 8.990 8.804 0.186 19954 1907 1 3 . 1 1 122 122 GLU N N 122 117.889 117.889 119.521 -1.632 19954 1908 1 3 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.034 0.028 19954 1909 1 3 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.498 -3.393 19954 1910 1 3 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.012 -2.321 19954 1911 1 3 . 1 1 122 122 GLU H H 122 7.615 7.615 7.804 -0.189 19954 1912 1 3 . 1 1 123 123 LYS N N 123 119.139 119.139 119.329 -0.190 19954 1913 1 3 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.062 -0.103 19954 1914 1 3 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.670 -2.068 19954 1915 1 3 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.944 -1.721 19954 1916 1 3 . 1 1 123 123 LYS H H 123 7.550 7.550 7.631 -0.081 19954 1917 1 3 . 1 1 124 124 ILE N N 124 123.103 123.103 119.781 3.322 19954 1918 1 3 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.437 -0.211 19954 1919 1 3 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.635 -1.951 19954 1920 1 3 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.468 -2.724 19954 1921 1 3 . 1 1 124 124 ILE H H 124 8.356 8.356 7.853 0.503 19954 1922 1 3 . 1 1 125 125 ARG N N 125 122.162 122.162 119.874 2.288 19954 1923 1 3 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.849 -0.743 19954 1924 1 3 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.363 -1.339 19954 1925 1 3 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.005 1.966 19954 1926 1 3 . 1 1 125 125 ARG H H 125 7.988 7.988 7.988 -0.000 19954 1927 1 3 . 1 1 126 126 MET N N 126 115.215 115.215 119.036 -3.821 19954 1928 1 3 . 1 1 126 126 MET HA H 126 3.973 3.973 4.095 -0.122 19954 1929 1 3 . 1 1 126 126 MET CA C 126 55.896 55.896 58.981 -3.085 19954 1930 1 3 . 1 1 126 126 MET CB C 126 29.856 29.856 32.415 -2.559 19954 1931 1 3 . 1 1 126 126 MET H H 126 7.455 7.455 7.802 -0.347 19954 1932 1 3 . 1 1 127 127 LEU N N 127 122.351 122.351 120.323 2.028 19954 1933 1 3 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.836 -0.284 19954 1934 1 3 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.899 -3.111 19954 1935 1 3 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.391 -2.113 19954 1936 1 3 . 1 1 127 127 LEU H H 127 7.479 7.479 7.751 -0.272 19954 1937 1 3 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.182 0.701 19954 1938 1 3 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.345 -2.998 19954 1939 1 3 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.308 -2.499 19954 1940 1 3 . 1 1 128 128 LEU H H 128 7.841 7.841 7.934 -0.093 19954 1941 1 3 . 1 1 129 129 ASP N N 129 116.915 116.915 119.864 -2.949 19954 1942 1 3 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.466 -0.079 19954 1943 1 3 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.735 -5.136 19954 1944 1 3 . 1 1 129 129 ASP CB C 129 37.866 37.866 41.035 -3.169 19954 1945 1 3 . 1 1 129 129 ASP H H 129 7.034 7.034 7.793 -0.759 19954 1946 1 3 . 1 1 130 130 ILE N N 130 124.155 124.155 119.725 4.430 19954 1947 1 3 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.736 -0.093 19954 1948 1 3 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.259 -1.883 19954 1949 1 3 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.687 -2.903 19954 1950 1 3 . 1 1 130 130 ILE H H 130 7.671 7.671 7.742 -0.071 19954 1951 1 3 . 1 1 131 131 TRP N N 131 125.421 125.421 121.105 4.316 19954 1952 1 3 . 1 1 131 131 TRP H H 131 8.831 8.831 8.009 0.822 19954 1953 1 3 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.448 2.991 19954 1954 1 3 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.268 0.215 19954 1955 1 3 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.505 -4.768 19954 1956 1 3 . 1 1 144 144 ALA N N 144 121.013 121.013 122.865 -1.852 19954 1957 1 3 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.009 0.095 19954 1958 1 3 . 1 1 144 144 ALA CA C 144 52.678 52.678 55.081 -2.403 19954 1959 1 3 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.283 -2.907 19954 1960 1 3 . 1 1 144 144 ALA H H 144 8.212 8.212 8.223 -0.011 19954 1961 1 3 . 1 1 145 145 ILE N N 145 117.646 117.646 115.397 2.249 19954 1962 1 3 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.545 0.283 19954 1963 1 3 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.781 -4.437 19954 1964 1 3 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.327 0.815 19954 1965 1 3 . 1 1 145 145 ILE H H 145 7.183 7.183 7.962 -0.779 19954 1966 1 3 . 1 1 146 146 ARG N N 146 121.150 121.150 120.913 0.237 19954 1967 1 3 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.857 0.045 19954 1968 1 3 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.470 -0.005 19954 1969 1 3 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.907 -2.124 19954 1970 1 3 . 1 1 146 146 ARG H H 146 8.477 8.477 8.164 0.313 19954 1971 1 3 . 1 1 147 147 SER N N 147 111.836 111.836 115.133 -3.297 19954 1972 1 3 . 1 1 147 147 SER HA H 147 4.162 4.162 4.184 -0.022 19954 1973 1 3 . 1 1 147 147 SER CA C 147 58.642 58.642 58.774 -0.132 19954 1974 1 3 . 1 1 147 147 SER CB C 147 60.972 60.972 62.779 -1.807 19954 1975 1 3 . 1 1 147 147 SER H H 147 8.187 8.187 7.424 0.763 19954 1976 1 3 . 1 1 148 148 LYS N N 148 118.675 118.675 127.436 -8.761 19954 1977 1 3 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.923 0.215 19954 1978 1 3 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.369 -3.352 19954 1979 1 3 . 1 1 148 148 LYS CB C 148 31.780 31.780 32.021 -0.241 19954 1980 1 3 . 1 1 148 148 LYS H H 148 7.837 7.837 8.520 -0.683 19954 1981 1 3 . 1 1 149 149 CYS N N 149 113.256 113.256 118.266 -5.010 19954 1982 1 3 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.130 0.462 19954 1983 1 3 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.861 -10.849 19954 1984 1 3 . 1 1 149 149 CYS H H 149 8.267 8.267 8.197 0.070 19954 1985 1 3 . 1 1 150 150 PHE N N 150 116.623 116.623 120.671 -4.048 19954 1986 1 3 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.078 0.866 19954 1987 1 3 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.054 -6.645 19954 1988 1 3 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.402 -0.349 19954 1989 1 3 . 1 1 150 150 PHE H H 150 7.373 7.373 8.785 -1.412 19954 1990 1 3 . 1 1 151 151 ALA N N 151 122.583 122.583 121.023 1.560 19954 1991 1 3 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.875 0.304 19954 1992 1 3 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.243 -4.602 19954 1993 1 3 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.352 -2.413 19954 1994 1 3 . 1 1 151 151 ALA H H 151 7.710 7.710 8.604 -0.894 19954 1995 1 3 . 1 1 152 152 MET N N 152 118.250 118.250 117.576 0.674 19954 1996 1 3 . 1 1 152 152 MET HA H 152 4.262 4.262 4.039 0.223 19954 1997 1 3 . 1 1 152 152 MET CA C 152 53.482 53.482 58.949 -5.467 19954 1998 1 3 . 1 1 152 152 MET CB C 152 30.488 30.488 32.258 -1.770 19954 1999 1 3 . 1 1 152 152 MET H H 152 8.086 8.086 8.117 -0.031 19954 2000 1 3 . 1 1 153 153 ASP N N 153 121.780 121.780 119.772 2.008 19954 2001 1 3 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.409 0.069 19954 2002 1 3 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.513 -4.887 19954 2003 1 3 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.031 -2.571 19954 2004 1 3 . 1 1 153 153 ASP H H 153 8.299 8.299 8.083 0.216 19954 2005 1 3 . 1 1 154 154 LEU N N 154 122.337 122.337 117.097 5.240 19954 2006 1 3 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.105 0.003 19954 2007 1 3 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.596 -3.743 19954 2008 1 3 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.574 -1.858 19954 2009 1 3 . 1 1 154 154 LEU H H 154 8.072 8.072 7.636 0.436 19954 2010 1 3 . 1 1 155 155 GLU N N 155 119.995 119.995 118.232 1.763 19954 2011 1 3 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.097 -0.102 19954 2012 1 3 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.302 -3.003 19954 2013 1 3 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.458 -1.824 19954 2014 1 3 . 1 1 155 155 GLU H H 155 8.151 8.151 7.956 0.195 19954 2015 1 3 . 1 1 156 156 HIS N N 156 118.980 118.980 123.790 -4.810 19954 2016 1 3 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.342 -0.122 19954 2017 1 3 . 1 1 156 156 HIS CA C 156 53.443 53.443 58.138 -4.694 19954 2018 1 3 . 1 1 156 156 HIS H H 156 8.007 8.007 8.374 -0.367 19954 2019 1 3 . 1 1 157 157 HIS N N 157 121.956 121.956 117.457 4.499 19954 2020 1 3 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.594 -0.183 19954 2021 1 3 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.065 -3.813 19954 2022 1 3 . 1 1 157 157 HIS H H 157 8.580 8.580 8.159 0.421 19954 2023 1 3 . 1 1 158 158 HIS N N 158 125.474 125.474 120.678 4.796 19954 2024 1 3 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.556 -0.928 19954 2025 1 3 . 1 1 158 158 HIS H H 158 7.906 7.906 8.857 -0.951 19954 2026 1 4 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.810 -0.495 19954 2027 1 4 . 1 1 4 4 ASP CA C 4 51.714 51.714 54.782 -3.068 19954 2028 1 4 . 1 1 5 5 ASP N N 5 120.880 120.880 117.765 3.115 19954 2029 1 4 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.920 -0.466 19954 2030 1 4 . 1 1 5 5 ASP CA C 5 52.575 52.575 54.779 -2.204 19954 2031 1 4 . 1 1 5 5 ASP CB C 5 38.724 38.724 42.866 -4.142 19954 2032 1 4 . 1 1 5 5 ASP H H 5 8.277 8.277 8.112 0.165 19954 2033 1 4 . 1 1 6 6 ASP N N 6 120.876 120.876 119.490 1.386 19954 2034 1 4 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.966 -0.484 19954 2035 1 4 . 1 1 6 6 ASP CA C 6 52.962 52.962 55.828 -2.866 19954 2036 1 4 . 1 1 6 6 ASP CB C 6 38.558 38.558 41.683 -3.125 19954 2037 1 4 . 1 1 6 6 ASP H H 6 8.497 8.497 7.693 0.804 19954 2038 1 4 . 1 1 7 7 PHE N N 7 122.789 122.789 119.543 3.246 19954 2039 1 4 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.354 -0.245 19954 2040 1 4 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.802 -1.932 19954 2041 1 4 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.168 -2.501 19954 2042 1 4 . 1 1 7 7 PHE H H 7 8.337 8.337 8.780 -0.443 19954 2043 1 4 . 1 1 8 8 GLN N N 8 116.255 116.255 119.210 -2.955 19954 2044 1 4 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.821 -0.072 19954 2045 1 4 . 1 1 8 8 GLN CA C 8 55.726 55.726 60.381 -4.655 19954 2046 1 4 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.394 -3.606 19954 2047 1 4 . 1 1 8 8 GLN H H 8 8.488 8.488 8.794 -0.306 19954 2048 1 4 . 1 1 9 9 ASN N N 9 118.242 118.242 117.816 0.426 19954 2049 1 4 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.349 -0.035 19954 2050 1 4 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.679 -3.104 19954 2051 1 4 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.252 -2.000 19954 2052 1 4 . 1 1 9 9 ASN H H 9 7.801 7.801 7.780 0.021 19954 2053 1 4 . 1 1 10 10 PHE N N 10 124.982 124.982 121.308 3.674 19954 2054 1 4 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.759 -0.305 19954 2055 1 4 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.072 -2.078 19954 2056 1 4 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.278 -3.243 19954 2057 1 4 . 1 1 10 10 PHE H H 10 6.924 6.924 7.381 -0.457 19954 2058 1 4 . 1 1 11 11 VAL N N 11 118.513 118.513 118.551 -0.038 19954 2059 1 4 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.057 -0.223 19954 2060 1 4 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.489 -2.258 19954 2061 1 4 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.313 -1.235 19954 2062 1 4 . 1 1 11 11 VAL H H 11 7.448 7.448 7.870 -0.422 19954 2063 1 4 . 1 1 12 12 ALA N N 12 119.214 119.214 121.103 -1.889 19954 2064 1 4 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.802 0.082 19954 2065 1 4 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.591 -3.165 19954 2066 1 4 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.892 -2.243 19954 2067 1 4 . 1 1 12 12 ALA H H 12 8.028 8.028 8.469 -0.441 19954 2068 1 4 . 1 1 13 13 THR N N 13 116.435 116.435 116.006 0.429 19954 2069 1 4 . 1 1 13 13 THR HA H 13 3.624 3.624 3.769 -0.145 19954 2070 1 4 . 1 1 13 13 THR CA C 13 64.041 64.041 66.650 -2.609 19954 2071 1 4 . 1 1 13 13 THR CB C 13 65.118 65.118 68.541 -3.423 19954 2072 1 4 . 1 1 13 13 THR H H 13 7.638 7.638 7.767 -0.129 19954 2073 1 4 . 1 1 14 14 LEU N N 14 126.284 126.284 122.282 4.002 19954 2074 1 4 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.774 -0.144 19954 2075 1 4 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.899 -2.412 19954 2076 1 4 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.300 -2.447 19954 2077 1 4 . 1 1 14 14 LEU H H 14 7.975 7.975 7.567 0.408 19954 2078 1 4 . 1 1 15 15 GLU N N 15 116.145 116.145 118.080 -1.935 19954 2079 1 4 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.883 -0.066 19954 2080 1 4 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.707 -3.313 19954 2081 1 4 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.050 -2.142 19954 2082 1 4 . 1 1 15 15 GLU H H 15 8.503 8.503 8.463 0.040 19954 2083 1 4 . 1 1 16 16 SER N N 16 114.452 114.452 114.461 -0.009 19954 2084 1 4 . 1 1 16 16 SER HA H 16 4.196 4.196 4.183 0.013 19954 2085 1 4 . 1 1 16 16 SER CA C 16 58.515 58.515 61.272 -2.757 19954 2086 1 4 . 1 1 16 16 SER CB C 16 60.155 60.155 62.913 -2.758 19954 2087 1 4 . 1 1 16 16 SER H H 16 7.643 7.643 8.041 -0.398 19954 2088 1 4 . 1 1 17 17 PHE N N 17 124.020 124.020 121.879 2.141 19954 2089 1 4 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.109 -0.285 19954 2090 1 4 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.613 -1.278 19954 2091 1 4 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.743 -1.889 19954 2092 1 4 . 1 1 17 17 PHE H H 17 8.082 8.082 8.014 0.068 19954 2093 1 4 . 1 1 18 18 LYS N N 18 116.570 116.570 118.077 -1.507 19954 2094 1 4 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.061 -0.114 19954 2095 1 4 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.880 -2.025 19954 2096 1 4 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.720 -2.268 19954 2097 1 4 . 1 1 18 18 LYS H H 18 7.849 7.849 7.734 0.115 19954 2098 1 4 . 1 1 19 19 ASP N N 19 116.332 116.332 119.212 -2.880 19954 2099 1 4 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.486 0.053 19954 2100 1 4 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.930 -3.773 19954 2101 1 4 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.403 -2.700 19954 2102 1 4 . 1 1 19 19 ASP H H 19 7.276 7.276 7.704 -0.428 19954 2103 1 4 . 1 1 20 20 LEU N N 20 119.769 119.769 119.596 0.173 19954 2104 1 4 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.157 0.242 19954 2105 1 4 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.940 -4.941 19954 2106 1 4 . 1 1 20 20 LEU H H 20 7.226 7.226 7.625 -0.399 19954 2107 1 4 . 1 1 21 21 LYS N N 21 126.041 126.041 118.995 7.046 19954 2108 1 4 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.282 -0.219 19954 2109 1 4 . 1 1 21 21 LYS CA C 21 56.849 56.849 58.298 -1.449 19954 2110 1 4 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.700 -1.066 19954 2111 1 4 . 1 1 21 21 LYS H H 21 9.203 9.203 8.654 0.549 19954 2112 1 4 . 1 1 22 22 SER N N 22 109.885 109.885 112.276 -2.391 19954 2113 1 4 . 1 1 22 22 SER HA H 22 4.322 4.322 4.609 -0.287 19954 2114 1 4 . 1 1 22 22 SER CA C 22 55.254 55.254 59.018 -3.764 19954 2115 1 4 . 1 1 22 22 SER CB C 22 62.254 62.254 65.309 -3.055 19954 2116 1 4 . 1 1 22 22 SER H H 22 8.607 8.607 8.234 0.373 19954 2117 1 4 . 1 1 23 23 GLY N N 23 106.286 106.286 108.431 -2.145 19954 2118 1 4 . 1 1 23 23 GLY CA C 23 43.980 43.980 45.268 -1.288 19954 2119 1 4 . 1 1 23 23 GLY H H 23 6.619 6.619 8.299 -1.680 19954 2120 1 4 . 1 1 24 24 ILE N N 24 118.883 118.883 117.346 1.537 19954 2121 1 4 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.590 -0.606 19954 2122 1 4 . 1 1 24 24 ILE CA C 24 59.167 59.167 61.034 -1.867 19954 2123 1 4 . 1 1 24 24 ILE CB C 24 39.646 39.646 40.694 -1.048 19954 2124 1 4 . 1 1 24 24 ILE H H 24 7.929 7.929 7.854 0.075 19954 2125 1 4 . 1 1 25 25 SER N N 25 117.952 117.952 122.246 -4.294 19954 2126 1 4 . 1 1 25 25 SER HA H 25 5.093 5.093 4.668 0.425 19954 2127 1 4 . 1 1 25 25 SER CA C 25 52.534 52.534 57.400 -4.865 19954 2128 1 4 . 1 1 25 25 SER CB C 25 61.938 61.938 65.117 -3.179 19954 2129 1 4 . 1 1 25 25 SER H H 25 5.660 5.660 8.526 -2.866 19954 2130 1 4 . 1 1 26 26 GLY N N 26 120.266 120.266 113.848 6.418 19954 2131 1 4 . 1 1 26 26 GLY CA C 26 45.487 45.487 46.993 -1.506 19954 2132 1 4 . 1 1 26 26 GLY H H 26 8.596 8.596 8.717 -0.121 19954 2133 1 4 . 1 1 27 27 SER N N 27 120.500 120.500 116.384 4.116 19954 2134 1 4 . 1 1 27 27 SER HA H 27 4.410 4.410 4.068 0.342 19954 2135 1 4 . 1 1 27 27 SER CA C 27 58.793 58.793 61.723 -2.930 19954 2136 1 4 . 1 1 27 27 SER CB C 27 62.224 62.224 62.929 -0.705 19954 2137 1 4 . 1 1 27 27 SER H H 27 9.846 9.846 8.294 1.552 19954 2138 1 4 . 1 1 28 28 ARG N N 28 123.779 123.779 119.940 3.839 19954 2139 1 4 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.765 0.120 19954 2140 1 4 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.243 -2.404 19954 2141 1 4 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.006 -0.892 19954 2142 1 4 . 1 1 28 28 ARG H H 28 8.034 8.034 7.955 0.079 19954 2143 1 4 . 1 1 29 29 ILE N N 29 120.700 120.700 120.301 0.399 19954 2144 1 4 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.664 -0.192 19954 2145 1 4 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.349 -0.720 19954 2146 1 4 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.352 -1.684 19954 2147 1 4 . 1 1 29 29 ILE H H 29 8.374 8.374 7.681 0.693 19954 2148 1 4 . 1 1 30 30 LYS N N 30 124.209 124.209 120.049 4.160 19954 2149 1 4 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.944 0.084 19954 2150 1 4 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.092 -2.691 19954 2151 1 4 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.064 -2.784 19954 2152 1 4 . 1 1 30 30 LYS H H 30 8.231 8.231 8.422 -0.191 19954 2153 1 4 . 1 1 31 31 LYS N N 31 120.422 120.422 119.619 0.803 19954 2154 1 4 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.063 -0.025 19954 2155 1 4 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.364 -1.746 19954 2156 1 4 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.115 -1.946 19954 2157 1 4 . 1 1 31 31 LYS H H 31 7.449 7.449 7.770 -0.321 19954 2158 1 4 . 1 1 32 32 LEU N N 32 118.348 118.348 119.485 -1.137 19954 2159 1 4 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.205 -0.144 19954 2160 1 4 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.766 -3.356 19954 2161 1 4 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.555 -1.773 19954 2162 1 4 . 1 1 32 32 LEU H H 32 8.186 8.186 8.076 0.110 19954 2163 1 4 . 1 1 33 33 THR N N 33 116.500 116.500 115.839 0.661 19954 2164 1 4 . 1 1 33 33 THR HA H 33 3.662 3.662 3.974 -0.312 19954 2165 1 4 . 1 1 33 33 THR CA C 33 64.726 64.726 67.668 -2.942 19954 2166 1 4 . 1 1 33 33 THR CB C 33 66.097 66.097 68.514 -2.417 19954 2167 1 4 . 1 1 33 33 THR H H 33 8.066 8.066 8.637 -0.571 19954 2168 1 4 . 1 1 34 34 THR N N 34 119.029 119.029 117.830 1.199 19954 2169 1 4 . 1 1 34 34 THR HA H 34 3.759 3.759 3.898 -0.139 19954 2170 1 4 . 1 1 34 34 THR CA C 34 64.291 64.291 66.641 -2.350 19954 2171 1 4 . 1 1 34 34 THR CB C 34 66.733 66.733 69.006 -2.273 19954 2172 1 4 . 1 1 34 34 THR H H 34 8.685 8.685 8.102 0.583 19954 2173 1 4 . 1 1 35 35 TYR N N 35 120.298 120.298 121.850 -1.552 19954 2174 1 4 . 1 1 35 35 TYR HA H 35 4.202 4.202 3.966 0.236 19954 2175 1 4 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.634 -1.480 19954 2176 1 4 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.275 -2.265 19954 2177 1 4 . 1 1 35 35 TYR H H 35 7.663 7.663 8.195 -0.532 19954 2178 1 4 . 1 1 36 36 ALA N N 36 121.480 121.480 121.857 -0.377 19954 2179 1 4 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.820 0.092 19954 2180 1 4 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.831 -1.695 19954 2181 1 4 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.621 -3.748 19954 2182 1 4 . 1 1 36 36 ALA H H 36 8.543 8.543 8.354 0.189 19954 2183 1 4 . 1 1 37 37 LEU N N 37 120.767 120.767 118.148 2.619 19954 2184 1 4 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.946 0.157 19954 2185 1 4 . 1 1 37 37 LEU CA C 37 54.840 54.840 57.791 -2.951 19954 2186 1 4 . 1 1 37 37 LEU CB C 37 40.182 40.182 40.745 -0.563 19954 2187 1 4 . 1 1 37 37 LEU H H 37 8.351 8.351 8.083 0.268 19954 2188 1 4 . 1 1 38 38 ASP N N 38 119.008 119.008 117.606 1.402 19954 2189 1 4 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.215 0.241 19954 2190 1 4 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.148 -4.008 19954 2191 1 4 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.097 -2.198 19954 2192 1 4 . 1 1 38 38 ASP H H 38 7.557 7.557 8.062 -0.505 19954 2193 1 4 . 1 1 39 39 HIS N N 39 118.142 118.142 117.748 0.394 19954 2194 1 4 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.657 -0.032 19954 2195 1 4 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.032 -1.886 19954 2196 1 4 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.537 -4.031 19954 2197 1 4 . 1 1 39 39 HIS H H 39 7.094 7.094 7.660 -0.566 19954 2198 1 4 . 1 1 40 40 ILE N N 40 121.885 121.885 122.622 -0.737 19954 2199 1 4 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.916 -0.490 19954 2200 1 4 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.129 1.464 19954 2201 1 4 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.342 -1.169 19954 2202 1 4 . 1 1 40 40 ILE H H 40 7.630 7.630 8.239 -0.609 19954 2203 1 4 . 1 1 41 41 ASP N N 41 114.814 114.814 118.425 -3.611 19954 2204 1 4 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.596 -0.410 19954 2205 1 4 . 1 1 41 41 ASP CA C 41 54.016 54.016 53.928 0.088 19954 2206 1 4 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.567 -3.731 19954 2207 1 4 . 1 1 41 41 ASP H H 41 8.433 8.433 8.610 -0.177 19954 2208 1 4 . 1 1 42 42 ILE N N 42 113.793 113.793 113.008 0.785 19954 2209 1 4 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.488 0.224 19954 2210 1 4 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.263 -2.022 19954 2211 1 4 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.057 -3.161 19954 2212 1 4 . 1 1 42 42 ILE H H 42 7.447 7.447 7.221 0.226 19954 2213 1 4 . 1 1 43 43 GLU N N 43 120.845 120.845 122.738 -1.893 19954 2214 1 4 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.163 -0.117 19954 2215 1 4 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.811 -3.043 19954 2216 1 4 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.649 -4.632 19954 2217 1 4 . 1 1 43 43 GLU H H 43 8.195 8.195 8.085 0.110 19954 2218 1 4 . 1 1 44 44 SER N N 44 113.781 113.781 115.822 -2.041 19954 2219 1 4 . 1 1 44 44 SER HA H 44 3.944 3.944 4.154 -0.210 19954 2220 1 4 . 1 1 44 44 SER CA C 44 59.590 59.590 62.715 -3.125 19954 2221 1 4 . 1 1 44 44 SER CB C 44 59.878 59.878 63.116 -3.238 19954 2222 1 4 . 1 1 44 44 SER H H 44 8.728 8.728 8.503 0.225 19954 2223 1 4 . 1 1 45 45 LYS N N 45 121.258 121.258 119.987 1.271 19954 2224 1 4 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.127 -0.048 19954 2225 1 4 . 1 1 45 45 LYS CA C 45 56.190 56.190 59.206 -3.017 19954 2226 1 4 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.727 -1.250 19954 2227 1 4 . 1 1 45 45 LYS H H 45 7.329 7.329 8.413 -1.084 19954 2228 1 4 . 1 1 46 46 ILE N N 46 121.022 121.022 121.728 -0.706 19954 2229 1 4 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.776 -0.413 19954 2230 1 4 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.058 -1.801 19954 2231 1 4 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.682 -0.790 19954 2232 1 4 . 1 1 46 46 ILE H H 46 7.360 7.360 8.064 -0.704 19954 2233 1 4 . 1 1 47 47 ILE N N 47 118.543 118.543 119.337 -0.794 19954 2234 1 4 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.617 0.122 19954 2235 1 4 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.135 -5.478 19954 2236 1 4 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.506 -4.378 19954 2237 1 4 . 1 1 47 47 ILE H H 47 9.378 9.378 8.198 1.180 19954 2238 1 4 . 1 1 48 48 SER N N 48 113.001 113.001 116.037 -3.036 19954 2239 1 4 . 1 1 48 48 SER HA H 48 4.016 4.016 4.176 -0.160 19954 2240 1 4 . 1 1 48 48 SER CA C 48 59.574 59.574 61.794 -2.220 19954 2241 1 4 . 1 1 48 48 SER CB C 48 60.341 60.341 63.133 -2.792 19954 2242 1 4 . 1 1 48 48 SER H H 48 7.382 7.382 8.557 -1.175 19954 2243 1 4 . 1 1 49 49 LEU N N 49 120.059 120.059 123.195 -3.136 19954 2244 1 4 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.139 0.031 19954 2245 1 4 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.423 -2.757 19954 2246 1 4 . 1 1 49 49 LEU CB C 49 39.750 39.750 41.998 -2.248 19954 2247 1 4 . 1 1 49 49 LEU H H 49 7.477 7.477 8.311 -0.834 19954 2248 1 4 . 1 1 50 50 ILE N N 50 115.429 115.429 117.665 -2.236 19954 2249 1 4 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.545 0.548 19954 2250 1 4 . 1 1 50 50 ILE CA C 50 62.804 62.804 64.857 -2.053 19954 2251 1 4 . 1 1 50 50 ILE H H 50 8.081 8.081 7.835 0.246 19954 2252 1 4 . 1 1 51 51 ILE N N 51 125.106 125.106 121.089 4.017 19954 2253 1 4 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.529 -0.074 19954 2254 1 4 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.016 -1.868 19954 2255 1 4 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.581 -1.862 19954 2256 1 4 . 1 1 51 51 ILE H H 51 8.194 8.194 8.183 0.011 19954 2257 1 4 . 1 1 52 52 ASP N N 52 119.519 119.519 119.933 -0.414 19954 2258 1 4 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.271 -0.027 19954 2259 1 4 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.289 -3.305 19954 2260 1 4 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.322 -3.457 19954 2261 1 4 . 1 1 52 52 ASP H H 52 7.850 7.850 8.432 -0.582 19954 2262 1 4 . 1 1 53 53 TYR N N 53 118.402 118.402 120.078 -1.676 19954 2263 1 4 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.205 -0.313 19954 2264 1 4 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.095 -1.350 19954 2265 1 4 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.318 -2.454 19954 2266 1 4 . 1 1 53 53 TYR H H 53 8.260 8.260 8.764 -0.504 19954 2267 1 4 . 1 1 54 54 SER N N 54 111.626 111.626 115.625 -3.999 19954 2268 1 4 . 1 1 54 54 SER HA H 54 4.058 4.058 4.213 -0.155 19954 2269 1 4 . 1 1 54 54 SER CA C 54 58.733 58.733 61.372 -2.639 19954 2270 1 4 . 1 1 54 54 SER CB C 54 62.430 62.430 63.401 -0.971 19954 2271 1 4 . 1 1 54 54 SER H H 54 7.316 7.316 8.073 -0.757 19954 2272 1 4 . 1 1 55 55 ARG N N 55 114.937 114.937 121.969 -7.032 19954 2273 1 4 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.060 0.112 19954 2274 1 4 . 1 1 55 55 ARG CA C 55 56.273 56.273 58.140 -1.867 19954 2275 1 4 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.333 -1.083 19954 2276 1 4 . 1 1 55 55 ARG H H 55 7.901 7.901 7.752 0.149 19954 2277 1 4 . 1 1 56 56 LEU N N 56 116.307 116.307 119.853 -3.546 19954 2278 1 4 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.940 0.263 19954 2279 1 4 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.323 -4.523 19954 2280 1 4 . 1 1 56 56 LEU CB C 56 40.868 40.868 41.867 -0.999 19954 2281 1 4 . 1 1 56 56 LEU H H 56 7.802 7.802 8.103 -0.301 19954 2282 1 4 . 1 1 57 57 CYS N N 57 119.062 119.062 115.311 3.751 19954 2283 1 4 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.382 -0.142 19954 2284 1 4 . 1 1 57 57 CYS CA C 57 53.750 53.750 57.867 -4.117 19954 2285 1 4 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.122 -5.046 19954 2286 1 4 . 1 1 57 57 CYS H H 57 7.717 7.717 7.305 0.412 19954 2287 1 4 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.483 -0.138 19954 2288 1 4 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.423 -1.941 19954 2289 1 4 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.504 -2.344 19954 2290 1 4 . 1 1 59 59 ASP N N 59 123.671 123.671 117.818 5.853 19954 2291 1 4 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.141 -0.224 19954 2292 1 4 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.123 -2.309 19954 2293 1 4 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.525 -2.601 19954 2294 1 4 . 1 1 59 59 ASP H H 59 8.696 8.696 8.984 -0.288 19954 2295 1 4 . 1 1 60 60 SER N N 60 110.600 110.600 117.380 -6.780 19954 2296 1 4 . 1 1 60 60 SER HA H 60 4.103 4.103 4.030 0.073 19954 2297 1 4 . 1 1 60 60 SER CA C 60 57.379 57.379 62.037 -4.658 19954 2298 1 4 . 1 1 60 60 SER CB C 60 61.562 61.562 62.485 -0.923 19954 2299 1 4 . 1 1 60 60 SER H H 60 8.119 8.119 8.453 -0.334 19954 2300 1 4 . 1 1 61 61 HIS N N 61 122.391 122.391 120.098 2.293 19954 2301 1 4 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.294 0.339 19954 2302 1 4 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.433 -3.719 19954 2303 1 4 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.461 0.481 19954 2304 1 4 . 1 1 61 61 HIS H H 61 8.123 8.123 7.985 0.138 19954 2305 1 4 . 1 1 62 62 LYS N N 62 121.665 121.665 120.083 1.582 19954 2306 1 4 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.969 -0.274 19954 2307 1 4 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.594 -3.834 19954 2308 1 4 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.151 -1.855 19954 2309 1 4 . 1 1 62 62 LYS H H 62 7.512 7.512 8.120 -0.608 19954 2310 1 4 . 1 1 63 63 LEU N N 63 117.792 117.792 120.151 -2.359 19954 2311 1 4 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.771 -0.313 19954 2312 1 4 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.546 -0.921 19954 2313 1 4 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.245 -3.196 19954 2314 1 4 . 1 1 63 63 LEU H H 63 8.136 8.136 8.373 -0.237 19954 2315 1 4 . 1 1 64 64 GLY N N 64 105.340 105.340 105.978 -0.638 19954 2316 1 4 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.238 -1.691 19954 2317 1 4 . 1 1 64 64 GLY H H 64 8.616 8.616 7.761 0.855 19954 2318 1 4 . 1 1 65 65 SER N N 65 117.745 117.745 117.718 0.027 19954 2319 1 4 . 1 1 65 65 SER HA H 65 4.265 4.265 3.918 0.347 19954 2320 1 4 . 1 1 65 65 SER CA C 65 58.998 58.998 61.814 -2.816 19954 2321 1 4 . 1 1 65 65 SER CB C 65 67.350 67.350 63.103 4.247 19954 2322 1 4 . 1 1 65 65 SER H H 65 7.894 7.894 8.330 -0.436 19954 2323 1 4 . 1 1 66 66 LEU N N 66 124.161 124.161 122.130 2.031 19954 2324 1 4 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.864 0.437 19954 2325 1 4 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.221 -4.166 19954 2326 1 4 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.723 -3.616 19954 2327 1 4 . 1 1 66 66 LEU H H 66 7.407 7.407 8.051 -0.644 19954 2328 1 4 . 1 1 67 67 TYR N N 67 121.466 121.466 117.482 3.984 19954 2329 1 4 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.177 0.367 19954 2330 1 4 . 1 1 67 67 TYR CA C 67 53.439 53.439 61.316 -7.877 19954 2331 1 4 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.559 -3.378 19954 2332 1 4 . 1 1 67 67 TYR H H 67 8.001 8.001 7.529 0.472 19954 2333 1 4 . 1 1 68 68 ILE N N 68 121.357 121.357 120.421 0.936 19954 2334 1 4 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.639 -0.404 19954 2335 1 4 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.176 -1.794 19954 2336 1 4 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.937 -1.857 19954 2337 1 4 . 1 1 68 68 ILE H H 68 7.811 7.811 7.600 0.211 19954 2338 1 4 . 1 1 69 69 ILE N N 69 117.955 117.955 119.559 -1.604 19954 2339 1 4 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.553 -0.204 19954 2340 1 4 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.728 -2.315 19954 2341 1 4 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.369 -1.450 19954 2342 1 4 . 1 1 69 69 ILE H H 69 6.886 6.886 8.466 -1.580 19954 2343 1 4 . 1 1 70 70 ASP N N 70 118.932 118.932 120.253 -1.321 19954 2344 1 4 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.347 0.049 19954 2345 1 4 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.898 -1.863 19954 2346 1 4 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.927 0.662 19954 2347 1 4 . 1 1 70 70 ASP H H 70 9.100 9.100 8.275 0.825 19954 2348 1 4 . 1 1 71 71 SER N N 71 110.354 110.354 115.637 -5.283 19954 2349 1 4 . 1 1 71 71 SER HA H 71 4.104 4.104 4.254 -0.150 19954 2350 1 4 . 1 1 71 71 SER CA C 71 58.746 58.746 61.646 -2.900 19954 2351 1 4 . 1 1 71 71 SER CB C 71 61.136 61.136 63.063 -1.927 19954 2352 1 4 . 1 1 71 71 SER H H 71 7.938 7.938 7.805 0.133 19954 2353 1 4 . 1 1 72 72 ILE N N 72 117.565 117.565 121.048 -3.483 19954 2354 1 4 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.578 -0.313 19954 2355 1 4 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.208 -1.559 19954 2356 1 4 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.550 -1.786 19954 2357 1 4 . 1 1 72 72 ILE H H 72 7.912 7.912 7.847 0.065 19954 2358 1 4 . 1 1 73 73 GLY N N 73 107.350 107.350 107.675 -0.325 19954 2359 1 4 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.092 -2.345 19954 2360 1 4 . 1 1 73 73 GLY H H 73 8.847 8.847 8.595 0.252 19954 2361 1 4 . 1 1 74 74 ARG N N 74 118.068 118.068 122.382 -4.314 19954 2362 1 4 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.777 0.173 19954 2363 1 4 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.724 -0.552 19954 2364 1 4 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.084 -2.412 19954 2365 1 4 . 1 1 74 74 ARG H H 74 8.705 8.705 8.133 0.572 19954 2366 1 4 . 1 1 75 75 ALA N N 75 123.817 123.817 121.927 1.890 19954 2367 1 4 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.024 0.192 19954 2368 1 4 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.188 -2.326 19954 2369 1 4 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.486 -3.085 19954 2370 1 4 . 1 1 75 75 ALA H H 75 7.673 7.673 7.871 -0.198 19954 2371 1 4 . 1 1 76 76 TYR N N 76 119.918 119.918 119.531 0.387 19954 2372 1 4 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.232 0.305 19954 2373 1 4 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.089 -4.996 19954 2374 1 4 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.617 -3.814 19954 2375 1 4 . 1 1 76 76 TYR H H 76 8.659 8.659 8.552 0.107 19954 2376 1 4 . 1 1 77 77 LEU N N 77 123.387 123.387 120.096 3.291 19954 2377 1 4 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.699 0.115 19954 2378 1 4 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.681 -3.506 19954 2379 1 4 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.676 -1.802 19954 2380 1 4 . 1 1 77 77 LEU H H 77 8.756 8.756 8.560 0.196 19954 2381 1 4 . 1 1 78 78 ASP N N 78 120.181 120.181 118.181 2.000 19954 2382 1 4 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.244 0.051 19954 2383 1 4 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.623 -2.820 19954 2384 1 4 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.526 -2.704 19954 2385 1 4 . 1 1 78 78 ASP H H 78 7.891 7.891 8.049 -0.158 19954 2386 1 4 . 1 1 79 79 GLU N N 79 120.503 120.503 118.586 1.917 19954 2387 1 4 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.000 0.018 19954 2388 1 4 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.043 -2.569 19954 2389 1 4 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.253 -2.049 19954 2390 1 4 . 1 1 79 79 GLU H H 79 7.502 7.502 8.134 -0.632 19954 2391 1 4 . 1 1 80 80 THR N N 80 111.013 111.013 115.870 -4.857 19954 2392 1 4 . 1 1 80 80 THR HA H 80 4.151 4.151 4.048 0.103 19954 2393 1 4 . 1 1 80 80 THR CA C 80 61.984 61.984 65.713 -3.729 19954 2394 1 4 . 1 1 80 80 THR CB C 80 67.420 67.420 68.698 -1.278 19954 2395 1 4 . 1 1 80 80 THR H H 80 7.883 7.883 7.925 -0.042 19954 2396 1 4 . 1 1 81 81 ARG N N 81 120.172 120.172 121.047 -0.875 19954 2397 1 4 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.032 0.047 19954 2398 1 4 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.643 -3.506 19954 2399 1 4 . 1 1 81 81 ARG H H 81 7.471 7.471 8.445 -0.974 19954 2400 1 4 . 1 1 82 82 SER N N 82 113.571 113.571 113.396 0.175 19954 2401 1 4 . 1 1 82 82 SER HA H 82 4.329 4.329 4.249 0.080 19954 2402 1 4 . 1 1 82 82 SER CA C 82 56.193 56.193 60.591 -4.398 19954 2403 1 4 . 1 1 82 82 SER CB C 82 72.312 72.312 63.467 8.845 19954 2404 1 4 . 1 1 82 82 SER H H 82 7.744 7.744 8.068 -0.324 19954 2405 1 4 . 1 1 83 83 ASN N N 83 119.990 119.990 116.924 3.066 19954 2406 1 4 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.893 -0.151 19954 2407 1 4 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.164 -3.001 19954 2408 1 4 . 1 1 83 83 ASN H H 83 7.792 7.792 7.980 -0.188 19954 2409 1 4 . 1 1 84 84 SER N N 84 116.799 116.799 114.032 2.767 19954 2410 1 4 . 1 1 84 84 SER HA H 84 4.291 4.291 4.471 -0.180 19954 2411 1 4 . 1 1 84 84 SER CA C 84 56.325 56.325 57.946 -1.621 19954 2412 1 4 . 1 1 84 84 SER H H 84 8.352 8.352 8.012 0.340 19954 2413 1 4 . 1 1 85 85 ASN N N 85 120.087 120.087 120.502 -0.415 19954 2414 1 4 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.948 -0.281 19954 2415 1 4 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.980 -2.172 19954 2416 1 4 . 1 1 85 85 ASN H H 85 8.362 8.362 8.340 0.022 19954 2417 1 4 . 1 1 86 86 SER N N 86 116.068 116.068 114.846 1.222 19954 2418 1 4 . 1 1 86 86 SER HA H 86 4.362 4.362 4.778 -0.416 19954 2419 1 4 . 1 1 86 86 SER CA C 86 55.853 55.853 56.989 -1.136 19954 2420 1 4 . 1 1 86 86 SER H H 86 8.102 8.102 8.123 -0.021 19954 2421 1 4 . 1 1 87 87 SER N N 87 117.615 117.615 116.861 0.754 19954 2422 1 4 . 1 1 87 87 SER HA H 87 4.302 4.302 4.278 0.024 19954 2423 1 4 . 1 1 87 87 SER CA C 87 55.608 55.608 59.815 -4.207 19954 2424 1 4 . 1 1 87 87 SER H H 87 8.269 8.269 8.367 -0.098 19954 2425 1 4 . 1 1 88 88 SER N N 88 122.455 122.455 112.573 9.882 19954 2426 1 4 . 1 1 88 88 SER CA C 88 53.710 53.710 59.107 -5.397 19954 2427 1 4 . 1 1 88 88 SER H H 88 8.377 8.377 8.783 -0.406 19954 2428 1 4 . 1 1 89 89 ASN N N 89 115.430 115.430 117.268 -1.838 19954 2429 1 4 . 1 1 89 89 ASN CA C 89 58.900 58.900 54.292 4.608 19954 2430 1 4 . 1 1 89 89 ASN H H 89 8.141 8.141 8.574 -0.433 19954 2431 1 4 . 1 1 90 90 LYS N N 90 128.071 128.071 119.837 8.234 19954 2432 1 4 . 1 1 90 90 LYS CA C 90 55.381 55.381 52.808 2.573 19954 2433 1 4 . 1 1 90 90 LYS H H 90 7.961 7.961 7.811 0.150 19954 2434 1 4 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.429 -1.024 19954 2435 1 4 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.777 -2.156 19954 2436 1 4 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.346 -3.653 19954 2437 1 4 . 1 1 92 92 GLY N N 92 112.403 112.403 109.211 3.192 19954 2438 1 4 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.354 -3.049 19954 2439 1 4 . 1 1 92 92 GLY H H 92 10.139 10.139 8.614 1.525 19954 2440 1 4 . 1 1 93 93 THR N N 93 106.254 106.254 111.012 -4.758 19954 2441 1 4 . 1 1 93 93 THR HA H 93 4.527 4.527 5.212 -0.685 19954 2442 1 4 . 1 1 93 93 THR CA C 93 56.663 56.663 59.512 -2.849 19954 2443 1 4 . 1 1 93 93 THR CB C 93 70.927 70.927 71.506 -0.579 19954 2444 1 4 . 1 1 93 93 THR H H 93 7.180 7.180 7.347 -0.167 19954 2445 1 4 . 1 1 94 94 CYS N N 94 121.465 121.465 119.535 1.930 19954 2446 1 4 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.971 -0.521 19954 2447 1 4 . 1 1 94 94 CYS CA C 94 60.867 60.867 62.025 -1.158 19954 2448 1 4 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.043 -0.797 19954 2449 1 4 . 1 1 94 94 CYS H H 94 8.777 8.777 8.598 0.179 19954 2450 1 4 . 1 1 95 95 ALA N N 95 119.619 119.619 123.234 -3.615 19954 2451 1 4 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.819 0.023 19954 2452 1 4 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.566 -2.821 19954 2453 1 4 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.716 -2.012 19954 2454 1 4 . 1 1 95 95 ALA H H 95 8.392 8.392 8.515 -0.123 19954 2455 1 4 . 1 1 96 96 HIS N N 96 118.081 118.081 119.239 -1.158 19954 2456 1 4 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.227 -0.021 19954 2457 1 4 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.454 -1.763 19954 2458 1 4 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.498 -2.414 19954 2459 1 4 . 1 1 96 96 HIS H H 96 7.631 7.631 8.490 -0.859 19954 2460 1 4 . 1 1 97 97 ALA N N 97 123.652 123.652 122.837 0.815 19954 2461 1 4 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.217 -0.276 19954 2462 1 4 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.313 -2.155 19954 2463 1 4 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.547 -0.883 19954 2464 1 4 . 1 1 97 97 ALA H H 97 7.347 7.347 7.653 -0.306 19954 2465 1 4 . 1 1 98 98 ILE N N 98 115.278 115.278 119.131 -3.853 19954 2466 1 4 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.411 0.113 19954 2467 1 4 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.783 -2.800 19954 2468 1 4 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.448 -1.781 19954 2469 1 4 . 1 1 98 98 ILE H H 98 7.916 7.916 8.647 -0.731 19954 2470 1 4 . 1 1 99 99 ASN N N 99 120.684 120.684 117.479 3.205 19954 2471 1 4 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.353 0.051 19954 2472 1 4 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.454 -2.315 19954 2473 1 4 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.239 -1.994 19954 2474 1 4 . 1 1 99 99 ASN H H 99 7.978 7.978 8.037 -0.059 19954 2475 1 4 . 1 1 100 100 THR N N 100 117.791 117.791 117.114 0.677 19954 2476 1 4 . 1 1 100 100 THR HA H 100 3.630 3.630 3.855 -0.225 19954 2477 1 4 . 1 1 100 100 THR CA C 100 63.899 63.899 67.050 -3.151 19954 2478 1 4 . 1 1 100 100 THR CB C 100 66.038 66.038 68.692 -2.655 19954 2479 1 4 . 1 1 100 100 THR H H 100 8.295 8.295 7.973 0.322 19954 2480 1 4 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.901 -0.183 19954 2481 1 4 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.326 -3.901 19954 2482 1 4 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.783 -0.595 19954 2483 1 4 . 1 1 101 101 LEU H H 101 7.825 7.825 8.417 -0.592 19954 2484 1 4 . 1 1 102 102 GLY N N 102 105.767 105.767 104.011 1.756 19954 2485 1 4 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.813 -1.472 19954 2486 1 4 . 1 1 102 102 GLY H H 102 8.591 8.591 8.459 0.132 19954 2487 1 4 . 1 1 103 103 GLU N N 103 116.366 116.366 119.189 -2.823 19954 2488 1 4 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.429 -0.362 19954 2489 1 4 . 1 1 103 103 GLU CA C 103 55.446 55.446 56.974 -1.528 19954 2490 1 4 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.552 -3.175 19954 2491 1 4 . 1 1 103 103 GLU H H 103 7.471 7.471 7.933 -0.462 19954 2492 1 4 . 1 1 104 104 VAL N N 104 108.377 108.377 113.374 -4.997 19954 2493 1 4 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.461 0.295 19954 2494 1 4 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.029 -4.174 19954 2495 1 4 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.675 -2.797 19954 2496 1 4 . 1 1 104 104 VAL H H 104 7.016 7.016 7.872 -0.856 19954 2497 1 4 . 1 1 105 105 ILE N N 105 123.784 123.784 122.952 0.832 19954 2498 1 4 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.535 0.219 19954 2499 1 4 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.765 -6.365 19954 2500 1 4 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.714 -2.303 19954 2501 1 4 . 1 1 105 105 ILE H H 105 7.197 7.197 8.666 -1.469 19954 2502 1 4 . 1 1 106 106 GLN N N 106 121.117 121.117 118.494 2.623 19954 2503 1 4 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.762 -0.107 19954 2504 1 4 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.119 -0.785 19954 2505 1 4 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.305 -0.413 19954 2506 1 4 . 1 1 106 106 GLN H H 106 8.549 8.549 8.531 0.018 19954 2507 1 4 . 1 1 107 107 GLU N N 107 122.716 122.716 121.532 1.184 19954 2508 1 4 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.120 -0.283 19954 2509 1 4 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.627 -2.039 19954 2510 1 4 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.943 -2.409 19954 2511 1 4 . 1 1 107 107 GLU H H 107 7.762 7.762 8.032 -0.270 19954 2512 1 4 . 1 1 108 108 LEU N N 108 116.615 116.615 121.426 -4.811 19954 2513 1 4 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.955 0.024 19954 2514 1 4 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.839 -3.045 19954 2515 1 4 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.584 -3.087 19954 2516 1 4 . 1 1 108 108 LEU H H 108 8.016 8.016 7.562 0.454 19954 2517 1 4 . 1 1 109 109 LEU N N 109 118.708 118.708 119.031 -0.323 19954 2518 1 4 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.766 0.074 19954 2519 1 4 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.907 -3.181 19954 2520 1 4 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.571 -0.249 19954 2521 1 4 . 1 1 109 109 LEU H H 109 8.801 8.801 8.442 0.359 19954 2522 1 4 . 1 1 110 110 SER N N 110 114.083 114.083 114.454 -0.371 19954 2523 1 4 . 1 1 110 110 SER HA H 110 3.848 3.848 4.050 -0.202 19954 2524 1 4 . 1 1 110 110 SER CA C 110 60.127 60.127 61.827 -1.700 19954 2525 1 4 . 1 1 110 110 SER CB C 110 60.300 60.300 62.722 -2.422 19954 2526 1 4 . 1 1 110 110 SER H H 110 8.161 8.161 8.199 -0.038 19954 2527 1 4 . 1 1 111 111 ASP N N 111 120.151 120.151 122.799 -2.648 19954 2528 1 4 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.288 0.054 19954 2529 1 4 . 1 1 111 111 ASP CA C 111 54.767 54.767 56.963 -2.196 19954 2530 1 4 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.311 -0.567 19954 2531 1 4 . 1 1 111 111 ASP H H 111 7.614 7.614 8.044 -0.430 19954 2532 1 4 . 1 1 112 112 ALA N N 112 116.927 116.927 122.837 -5.910 19954 2533 1 4 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.944 -0.355 19954 2534 1 4 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.299 -2.576 19954 2535 1 4 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.579 -0.932 19954 2536 1 4 . 1 1 112 112 ALA H H 112 7.662 7.662 8.062 -0.400 19954 2537 1 4 . 1 1 113 113 ILE N N 113 119.039 119.039 117.775 1.264 19954 2538 1 4 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.575 -0.348 19954 2539 1 4 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.687 -1.007 19954 2540 1 4 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.774 -1.615 19954 2541 1 4 . 1 1 113 113 ILE H H 113 8.681 8.681 8.142 0.539 19954 2542 1 4 . 1 1 114 114 ALA N N 114 120.055 120.055 121.298 -1.243 19954 2543 1 4 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.986 -0.079 19954 2544 1 4 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.403 -1.815 19954 2545 1 4 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.936 -2.805 19954 2546 1 4 . 1 1 114 114 ALA H H 114 7.716 7.716 8.013 -0.297 19954 2547 1 4 . 1 1 115 115 LYS N N 115 113.845 113.845 117.293 -3.448 19954 2548 1 4 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.059 0.024 19954 2549 1 4 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.191 -3.236 19954 2550 1 4 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.083 -0.450 19954 2551 1 4 . 1 1 115 115 LYS H H 115 7.248 7.248 8.295 -1.047 19954 2552 1 4 . 1 1 116 116 SER N N 116 115.794 115.794 112.694 3.100 19954 2553 1 4 . 1 1 116 116 SER HA H 116 4.503 4.503 4.476 0.027 19954 2554 1 4 . 1 1 116 116 SER CA C 116 57.848 57.848 59.029 -1.181 19954 2555 1 4 . 1 1 116 116 SER CB C 116 63.380 63.380 64.559 -1.179 19954 2556 1 4 . 1 1 116 116 SER H H 116 7.124 7.124 7.783 -0.659 19954 2557 1 4 . 1 1 117 117 ASN N N 117 119.747 119.747 120.609 -0.862 19954 2558 1 4 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.829 -0.307 19954 2559 1 4 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.055 -2.713 19954 2560 1 4 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.947 -4.665 19954 2561 1 4 . 1 1 117 117 ASN H H 117 8.457 8.457 8.296 0.161 19954 2562 1 4 . 1 1 118 118 GLN N N 118 117.591 117.591 119.288 -1.697 19954 2563 1 4 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.919 -0.142 19954 2564 1 4 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.166 -2.982 19954 2565 1 4 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.229 3.312 19954 2566 1 4 . 1 1 118 118 GLN H H 118 8.418 8.418 8.983 -0.565 19954 2567 1 4 . 1 1 119 119 ASP N N 119 119.281 119.281 118.368 0.913 19954 2568 1 4 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.531 -0.241 19954 2569 1 4 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.873 -3.280 19954 2570 1 4 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.046 -1.143 19954 2571 1 4 . 1 1 119 119 ASP H H 119 7.973 7.973 8.661 -0.688 19954 2572 1 4 . 1 1 120 120 HIS N N 120 118.871 118.871 118.343 0.528 19954 2573 1 4 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.078 0.262 19954 2574 1 4 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.737 -2.979 19954 2575 1 4 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.620 -1.892 19954 2576 1 4 . 1 1 120 120 HIS H H 120 8.702 8.702 8.382 0.320 19954 2577 1 4 . 1 1 121 121 LYS N N 121 120.739 120.739 118.615 2.124 19954 2578 1 4 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.888 -0.120 19954 2579 1 4 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.787 -0.102 19954 2580 1 4 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.401 -0.477 19954 2581 1 4 . 1 1 121 121 LYS H H 121 8.990 8.990 8.860 0.130 19954 2582 1 4 . 1 1 122 122 GLU N N 122 117.889 117.889 119.608 -1.719 19954 2583 1 4 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.037 0.025 19954 2584 1 4 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.459 -3.354 19954 2585 1 4 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.161 -2.470 19954 2586 1 4 . 1 1 122 122 GLU H H 122 7.615 7.615 8.042 -0.427 19954 2587 1 4 . 1 1 123 123 LYS N N 123 119.139 119.139 119.055 0.084 19954 2588 1 4 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.129 -0.170 19954 2589 1 4 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.585 -1.983 19954 2590 1 4 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.923 -1.700 19954 2591 1 4 . 1 1 123 123 LYS H H 123 7.550 7.550 7.693 -0.143 19954 2592 1 4 . 1 1 124 124 ILE N N 124 123.103 123.103 120.044 3.059 19954 2593 1 4 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.415 -0.189 19954 2594 1 4 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.724 -2.040 19954 2595 1 4 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.489 -2.746 19954 2596 1 4 . 1 1 124 124 ILE H H 124 8.356 8.356 7.801 0.555 19954 2597 1 4 . 1 1 125 125 ARG N N 125 122.162 122.162 119.791 2.371 19954 2598 1 4 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.821 -0.715 19954 2599 1 4 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.426 -1.402 19954 2600 1 4 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.020 1.951 19954 2601 1 4 . 1 1 125 125 ARG H H 125 7.988 7.988 7.918 0.070 19954 2602 1 4 . 1 1 126 126 MET N N 126 115.215 115.215 118.949 -3.734 19954 2603 1 4 . 1 1 126 126 MET HA H 126 3.973 3.973 4.089 -0.116 19954 2604 1 4 . 1 1 126 126 MET CA C 126 55.896 55.896 58.902 -3.006 19954 2605 1 4 . 1 1 126 126 MET CB C 126 29.856 29.856 32.433 -2.577 19954 2606 1 4 . 1 1 126 126 MET H H 126 7.455 7.455 7.778 -0.323 19954 2607 1 4 . 1 1 127 127 LEU N N 127 122.351 122.351 120.549 1.802 19954 2608 1 4 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.772 -0.220 19954 2609 1 4 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.768 -2.980 19954 2610 1 4 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.159 -1.881 19954 2611 1 4 . 1 1 127 127 LEU H H 127 7.479 7.479 7.788 -0.309 19954 2612 1 4 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.218 0.665 19954 2613 1 4 . 1 1 128 128 LEU CA C 128 55.347 55.347 57.937 -2.590 19954 2614 1 4 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.203 -2.394 19954 2615 1 4 . 1 1 128 128 LEU H H 128 7.841 7.841 7.828 0.013 19954 2616 1 4 . 1 1 129 129 ASP N N 129 116.915 116.915 119.192 -2.277 19954 2617 1 4 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.303 0.084 19954 2618 1 4 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.708 -5.109 19954 2619 1 4 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.857 -2.991 19954 2620 1 4 . 1 1 129 129 ASP H H 129 7.034 7.034 7.722 -0.688 19954 2621 1 4 . 1 1 130 130 ILE N N 130 124.155 124.155 120.053 4.102 19954 2622 1 4 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.680 -0.037 19954 2623 1 4 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.092 -1.716 19954 2624 1 4 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.753 -2.969 19954 2625 1 4 . 1 1 130 130 ILE H H 130 7.671 7.671 7.763 -0.092 19954 2626 1 4 . 1 1 131 131 TRP N N 131 125.421 125.421 120.222 5.199 19954 2627 1 4 . 1 1 131 131 TRP H H 131 8.831 8.831 7.882 0.949 19954 2628 1 4 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.809 2.630 19954 2629 1 4 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.319 0.164 19954 2630 1 4 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.745 -4.008 19954 2631 1 4 . 1 1 144 144 ALA N N 144 121.013 121.013 122.737 -1.724 19954 2632 1 4 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.762 0.342 19954 2633 1 4 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.630 -1.952 19954 2634 1 4 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.557 -3.181 19954 2635 1 4 . 1 1 144 144 ALA H H 144 8.212 8.212 8.051 0.161 19954 2636 1 4 . 1 1 145 145 ILE N N 145 117.646 117.646 115.395 2.251 19954 2637 1 4 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.322 0.506 19954 2638 1 4 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.705 -4.361 19954 2639 1 4 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.340 0.802 19954 2640 1 4 . 1 1 145 145 ILE H H 145 7.183 7.183 7.601 -0.418 19954 2641 1 4 . 1 1 146 146 ARG N N 146 121.150 121.150 120.862 0.288 19954 2642 1 4 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.874 0.028 19954 2643 1 4 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.607 -0.142 19954 2644 1 4 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.875 -2.091 19954 2645 1 4 . 1 1 146 146 ARG H H 146 8.477 8.477 7.422 1.055 19954 2646 1 4 . 1 1 147 147 SER N N 147 111.836 111.836 115.137 -3.301 19954 2647 1 4 . 1 1 147 147 SER HA H 147 4.162 4.162 4.413 -0.251 19954 2648 1 4 . 1 1 147 147 SER CA C 147 58.642 58.642 58.274 0.368 19954 2649 1 4 . 1 1 147 147 SER CB C 147 60.972 60.972 63.201 -2.229 19954 2650 1 4 . 1 1 147 147 SER H H 147 8.187 8.187 7.748 0.439 19954 2651 1 4 . 1 1 148 148 LYS N N 148 118.675 118.675 128.455 -9.780 19954 2652 1 4 . 1 1 148 148 LYS HA H 148 4.138 4.138 4.026 0.112 19954 2653 1 4 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.190 -3.173 19954 2654 1 4 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.590 0.190 19954 2655 1 4 . 1 1 148 148 LYS H H 148 7.837 7.837 8.625 -0.788 19954 2656 1 4 . 1 1 149 149 CYS N N 149 113.256 113.256 118.465 -5.209 19954 2657 1 4 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.108 0.484 19954 2658 1 4 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.904 -10.892 19954 2659 1 4 . 1 1 149 149 CYS H H 149 8.267 8.267 8.001 0.266 19954 2660 1 4 . 1 1 150 150 PHE N N 150 116.623 116.623 120.471 -3.848 19954 2661 1 4 . 1 1 150 150 PHE HA H 150 4.944 4.944 3.985 0.959 19954 2662 1 4 . 1 1 150 150 PHE CA C 150 54.409 54.409 62.354 -7.945 19954 2663 1 4 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.885 -0.832 19954 2664 1 4 . 1 1 150 150 PHE H H 150 7.373 7.373 8.752 -1.379 19954 2665 1 4 . 1 1 151 151 ALA N N 151 122.583 122.583 120.785 1.798 19954 2666 1 4 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.872 0.307 19954 2667 1 4 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.143 -4.502 19954 2668 1 4 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.412 -2.473 19954 2669 1 4 . 1 1 151 151 ALA H H 151 7.710 7.710 8.634 -0.924 19954 2670 1 4 . 1 1 152 152 MET N N 152 118.250 118.250 116.988 1.262 19954 2671 1 4 . 1 1 152 152 MET HA H 152 4.262 4.262 4.015 0.247 19954 2672 1 4 . 1 1 152 152 MET CA C 152 53.482 53.482 59.381 -5.899 19954 2673 1 4 . 1 1 152 152 MET CB C 152 30.488 30.488 32.588 -2.100 19954 2674 1 4 . 1 1 152 152 MET H H 152 8.086 8.086 8.071 0.015 19954 2675 1 4 . 1 1 153 153 ASP N N 153 121.780 121.780 118.688 3.092 19954 2676 1 4 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.562 -0.084 19954 2677 1 4 . 1 1 153 153 ASP CA C 153 51.626 51.626 57.317 -5.691 19954 2678 1 4 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.471 -3.011 19954 2679 1 4 . 1 1 153 153 ASP H H 153 8.299 8.299 7.938 0.361 19954 2680 1 4 . 1 1 154 154 LEU N N 154 122.337 122.337 118.993 3.344 19954 2681 1 4 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.041 0.067 19954 2682 1 4 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.868 -5.015 19954 2683 1 4 . 1 1 154 154 LEU CB C 154 39.716 39.716 42.157 -2.441 19954 2684 1 4 . 1 1 154 154 LEU H H 154 8.072 8.072 8.241 -0.169 19954 2685 1 4 . 1 1 155 155 GLU N N 155 119.995 119.995 115.911 4.084 19954 2686 1 4 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.387 -0.392 19954 2687 1 4 . 1 1 155 155 GLU CA C 155 54.299 54.299 55.165 -0.866 19954 2688 1 4 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.026 -1.392 19954 2689 1 4 . 1 1 155 155 GLU H H 155 8.151 8.151 7.589 0.562 19954 2690 1 4 . 1 1 156 156 HIS N N 156 118.980 118.980 120.116 -1.136 19954 2691 1 4 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.249 -0.029 19954 2692 1 4 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.704 -3.261 19954 2693 1 4 . 1 1 156 156 HIS H H 156 8.007 8.007 8.168 -0.161 19954 2694 1 4 . 1 1 157 157 HIS N N 157 121.956 121.956 117.964 3.992 19954 2695 1 4 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.147 0.264 19954 2696 1 4 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.163 -3.912 19954 2697 1 4 . 1 1 157 157 HIS H H 157 8.580 8.580 8.035 0.545 19954 2698 1 4 . 1 1 158 158 HIS N N 158 125.474 125.474 121.274 4.200 19954 2699 1 4 . 1 1 158 158 HIS CA C 158 54.628 54.628 54.816 -0.188 19954 2700 1 4 . 1 1 158 158 HIS H H 158 7.906 7.906 8.671 -0.765 19954 2701 1 5 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.534 -0.219 19954 2702 1 5 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.138 -3.424 19954 2703 1 5 . 1 1 5 5 ASP N N 5 120.880 120.880 120.287 0.593 19954 2704 1 5 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.950 -0.496 19954 2705 1 5 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.675 -1.100 19954 2706 1 5 . 1 1 5 5 ASP CB C 5 38.724 38.724 42.359 -3.635 19954 2707 1 5 . 1 1 5 5 ASP H H 5 8.277 8.277 7.536 0.741 19954 2708 1 5 . 1 1 6 6 ASP N N 6 120.876 120.876 121.029 -0.153 19954 2709 1 5 . 1 1 6 6 ASP HA H 6 4.482 4.482 5.107 -0.625 19954 2710 1 5 . 1 1 6 6 ASP CA C 6 52.962 52.962 52.616 0.346 19954 2711 1 5 . 1 1 6 6 ASP CB C 6 38.558 38.558 43.233 -4.675 19954 2712 1 5 . 1 1 6 6 ASP H H 6 8.497 8.497 8.197 0.300 19954 2713 1 5 . 1 1 7 7 PHE N N 7 122.789 122.789 120.752 2.037 19954 2714 1 5 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.299 -0.190 19954 2715 1 5 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.858 -1.988 19954 2716 1 5 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.561 -2.894 19954 2717 1 5 . 1 1 7 7 PHE H H 7 8.337 8.337 8.812 -0.475 19954 2718 1 5 . 1 1 8 8 GLN N N 8 116.255 116.255 119.330 -3.075 19954 2719 1 5 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.823 -0.074 19954 2720 1 5 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.611 -3.885 19954 2721 1 5 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.041 -3.253 19954 2722 1 5 . 1 1 8 8 GLN H H 8 8.488 8.488 8.709 -0.221 19954 2723 1 5 . 1 1 9 9 ASN N N 9 118.242 118.242 118.152 0.090 19954 2724 1 5 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.315 -0.001 19954 2725 1 5 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.199 -2.624 19954 2726 1 5 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.368 -2.115 19954 2727 1 5 . 1 1 9 9 ASN H H 9 7.801 7.801 7.784 0.017 19954 2728 1 5 . 1 1 10 10 PHE N N 10 124.982 124.982 121.276 3.706 19954 2729 1 5 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.739 -0.285 19954 2730 1 5 . 1 1 10 10 PHE CA C 10 58.994 58.994 60.788 -1.794 19954 2731 1 5 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.286 -3.251 19954 2732 1 5 . 1 1 10 10 PHE H H 10 6.924 6.924 6.984 -0.060 19954 2733 1 5 . 1 1 11 11 VAL N N 11 118.513 118.513 118.522 -0.009 19954 2734 1 5 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.065 -0.231 19954 2735 1 5 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.334 -2.103 19954 2736 1 5 . 1 1 11 11 VAL CB C 11 30.078 30.078 30.742 -0.664 19954 2737 1 5 . 1 1 11 11 VAL H H 11 7.448 7.448 7.944 -0.496 19954 2738 1 5 . 1 1 12 12 ALA N N 12 119.214 119.214 121.410 -2.196 19954 2739 1 5 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.813 0.071 19954 2740 1 5 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.677 -3.251 19954 2741 1 5 . 1 1 12 12 ALA CB C 12 15.649 15.649 18.055 -2.406 19954 2742 1 5 . 1 1 12 12 ALA H H 12 8.028 8.028 8.514 -0.486 19954 2743 1 5 . 1 1 13 13 THR N N 13 116.435 116.435 115.747 0.688 19954 2744 1 5 . 1 1 13 13 THR HA H 13 3.624 3.624 3.818 -0.194 19954 2745 1 5 . 1 1 13 13 THR CA C 13 64.041 64.041 66.082 -2.041 19954 2746 1 5 . 1 1 13 13 THR CB C 13 65.118 65.118 68.284 -3.166 19954 2747 1 5 . 1 1 13 13 THR H H 13 7.638 7.638 7.739 -0.101 19954 2748 1 5 . 1 1 14 14 LEU N N 14 126.284 126.284 121.907 4.377 19954 2749 1 5 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.679 -0.049 19954 2750 1 5 . 1 1 14 14 LEU CA C 14 55.487 55.487 58.005 -2.518 19954 2751 1 5 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.207 -2.355 19954 2752 1 5 . 1 1 14 14 LEU H H 14 7.975 7.975 7.605 0.370 19954 2753 1 5 . 1 1 15 15 GLU N N 15 116.145 116.145 118.418 -2.273 19954 2754 1 5 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.856 -0.039 19954 2755 1 5 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.690 -3.296 19954 2756 1 5 . 1 1 15 15 GLU CB C 15 26.908 26.908 28.998 -2.090 19954 2757 1 5 . 1 1 15 15 GLU H H 15 8.503 8.503 8.455 0.048 19954 2758 1 5 . 1 1 16 16 SER N N 16 114.452 114.452 114.428 0.024 19954 2759 1 5 . 1 1 16 16 SER HA H 16 4.196 4.196 4.199 -0.003 19954 2760 1 5 . 1 1 16 16 SER CA C 16 58.515 58.515 60.876 -2.361 19954 2761 1 5 . 1 1 16 16 SER CB C 16 60.155 60.155 62.750 -2.595 19954 2762 1 5 . 1 1 16 16 SER H H 16 7.643 7.643 7.989 -0.346 19954 2763 1 5 . 1 1 17 17 PHE N N 17 124.020 124.020 121.929 2.091 19954 2764 1 5 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.128 -0.304 19954 2765 1 5 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.538 -1.203 19954 2766 1 5 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.824 -1.970 19954 2767 1 5 . 1 1 17 17 PHE H H 17 8.082 8.082 7.995 0.087 19954 2768 1 5 . 1 1 18 18 LYS N N 18 116.570 116.570 118.361 -1.791 19954 2769 1 5 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.105 -0.158 19954 2770 1 5 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.050 -2.195 19954 2771 1 5 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.802 -2.350 19954 2772 1 5 . 1 1 18 18 LYS H H 18 7.849 7.849 7.837 0.012 19954 2773 1 5 . 1 1 19 19 ASP N N 19 116.332 116.332 119.285 -2.953 19954 2774 1 5 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.463 0.076 19954 2775 1 5 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.905 -3.748 19954 2776 1 5 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.312 -2.609 19954 2777 1 5 . 1 1 19 19 ASP H H 19 7.276 7.276 7.670 -0.394 19954 2778 1 5 . 1 1 20 20 LEU N N 20 119.769 119.769 119.354 0.415 19954 2779 1 5 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.183 0.216 19954 2780 1 5 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.904 -4.905 19954 2781 1 5 . 1 1 20 20 LEU H H 20 7.226 7.226 7.863 -0.637 19954 2782 1 5 . 1 1 21 21 LYS N N 21 126.041 126.041 117.528 8.513 19954 2783 1 5 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.428 -0.365 19954 2784 1 5 . 1 1 21 21 LYS CA C 21 56.849 56.849 57.427 -0.578 19954 2785 1 5 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.543 -0.909 19954 2786 1 5 . 1 1 21 21 LYS H H 21 9.203 9.203 8.729 0.474 19954 2787 1 5 . 1 1 22 22 SER N N 22 109.885 109.885 113.825 -3.940 19954 2788 1 5 . 1 1 22 22 SER HA H 22 4.322 4.322 4.546 -0.224 19954 2789 1 5 . 1 1 22 22 SER CA C 22 55.254 55.254 59.200 -3.946 19954 2790 1 5 . 1 1 22 22 SER CB C 22 62.254 62.254 65.100 -2.846 19954 2791 1 5 . 1 1 22 22 SER H H 22 8.607 8.607 8.185 0.422 19954 2792 1 5 . 1 1 23 23 GLY N N 23 106.286 106.286 108.631 -2.345 19954 2793 1 5 . 1 1 23 23 GLY CA C 23 43.980 43.980 45.105 -1.125 19954 2794 1 5 . 1 1 23 23 GLY H H 23 6.619 6.619 8.534 -1.915 19954 2795 1 5 . 1 1 24 24 ILE N N 24 118.883 118.883 118.872 0.011 19954 2796 1 5 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.684 -0.700 19954 2797 1 5 . 1 1 24 24 ILE CA C 24 59.167 59.167 59.645 -0.478 19954 2798 1 5 . 1 1 24 24 ILE CB C 24 39.646 39.646 39.977 -0.331 19954 2799 1 5 . 1 1 24 24 ILE H H 24 7.929 7.929 7.742 0.186 19954 2800 1 5 . 1 1 25 25 SER N N 25 117.952 117.952 122.727 -4.775 19954 2801 1 5 . 1 1 25 25 SER HA H 25 5.093 5.093 4.668 0.425 19954 2802 1 5 . 1 1 25 25 SER CA C 25 52.534 52.534 57.586 -5.051 19954 2803 1 5 . 1 1 25 25 SER CB C 25 61.938 61.938 66.156 -4.218 19954 2804 1 5 . 1 1 25 25 SER H H 25 5.660 5.660 8.928 -3.268 19954 2805 1 5 . 1 1 26 26 GLY N N 26 120.266 120.266 114.094 6.172 19954 2806 1 5 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.618 -2.131 19954 2807 1 5 . 1 1 26 26 GLY H H 26 8.596 8.596 8.925 -0.329 19954 2808 1 5 . 1 1 27 27 SER N N 27 120.500 120.500 116.749 3.751 19954 2809 1 5 . 1 1 27 27 SER HA H 27 4.410 4.410 4.178 0.232 19954 2810 1 5 . 1 1 27 27 SER CA C 27 58.793 58.793 61.434 -2.641 19954 2811 1 5 . 1 1 27 27 SER CB C 27 62.224 62.224 62.934 -0.710 19954 2812 1 5 . 1 1 27 27 SER H H 27 9.846 9.846 8.222 1.624 19954 2813 1 5 . 1 1 28 28 ARG N N 28 123.779 123.779 120.389 3.390 19954 2814 1 5 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.819 0.066 19954 2815 1 5 . 1 1 28 28 ARG CA C 28 56.840 56.840 58.908 -2.068 19954 2816 1 5 . 1 1 28 28 ARG CB C 28 28.114 28.114 28.871 -0.757 19954 2817 1 5 . 1 1 28 28 ARG H H 28 8.034 8.034 7.959 0.075 19954 2818 1 5 . 1 1 29 29 ILE N N 29 120.700 120.700 120.424 0.276 19954 2819 1 5 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.699 -0.227 19954 2820 1 5 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.392 -0.763 19954 2821 1 5 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.364 -1.696 19954 2822 1 5 . 1 1 29 29 ILE H H 29 8.374 8.374 7.903 0.471 19954 2823 1 5 . 1 1 30 30 LYS N N 30 124.209 124.209 120.453 3.756 19954 2824 1 5 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.990 0.038 19954 2825 1 5 . 1 1 30 30 LYS CA C 30 57.401 57.401 59.946 -2.545 19954 2826 1 5 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.090 -2.810 19954 2827 1 5 . 1 1 30 30 LYS H H 30 8.231 8.231 8.440 -0.209 19954 2828 1 5 . 1 1 31 31 LYS N N 31 120.422 120.422 119.622 0.800 19954 2829 1 5 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.094 -0.056 19954 2830 1 5 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.216 -1.598 19954 2831 1 5 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.043 -1.874 19954 2832 1 5 . 1 1 31 31 LYS H H 31 7.449 7.449 7.867 -0.418 19954 2833 1 5 . 1 1 32 32 LEU N N 32 118.348 118.348 119.696 -1.348 19954 2834 1 5 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.177 -0.116 19954 2835 1 5 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.811 -3.401 19954 2836 1 5 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.382 -1.600 19954 2837 1 5 . 1 1 32 32 LEU H H 32 8.186 8.186 8.126 0.061 19954 2838 1 5 . 1 1 33 33 THR N N 33 116.500 116.500 115.344 1.156 19954 2839 1 5 . 1 1 33 33 THR HA H 33 3.662 3.662 4.043 -0.381 19954 2840 1 5 . 1 1 33 33 THR CA C 33 64.726 64.726 67.263 -2.537 19954 2841 1 5 . 1 1 33 33 THR CB C 33 66.097 66.097 68.056 -1.959 19954 2842 1 5 . 1 1 33 33 THR H H 33 8.066 8.066 8.687 -0.621 19954 2843 1 5 . 1 1 34 34 THR N N 34 119.029 119.029 118.363 0.666 19954 2844 1 5 . 1 1 34 34 THR HA H 34 3.759 3.759 3.985 -0.226 19954 2845 1 5 . 1 1 34 34 THR CA C 34 64.291 64.291 66.195 -1.903 19954 2846 1 5 . 1 1 34 34 THR CB C 34 66.733 66.733 68.763 -2.030 19954 2847 1 5 . 1 1 34 34 THR H H 34 8.685 8.685 8.081 0.604 19954 2848 1 5 . 1 1 35 35 TYR N N 35 120.298 120.298 122.658 -2.360 19954 2849 1 5 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.047 0.155 19954 2850 1 5 . 1 1 35 35 TYR CA C 35 60.154 60.154 62.131 -1.977 19954 2851 1 5 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.176 -2.167 19954 2852 1 5 . 1 1 35 35 TYR H H 35 7.663 7.663 8.327 -0.664 19954 2853 1 5 . 1 1 36 36 ALA N N 36 121.480 121.480 121.879 -0.399 19954 2854 1 5 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.962 -0.050 19954 2855 1 5 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.931 -1.795 19954 2856 1 5 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.552 -3.679 19954 2857 1 5 . 1 1 36 36 ALA H H 36 8.543 8.543 8.400 0.143 19954 2858 1 5 . 1 1 37 37 LEU N N 37 120.767 120.767 118.958 1.809 19954 2859 1 5 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.995 0.108 19954 2860 1 5 . 1 1 37 37 LEU CA C 37 54.840 54.840 57.446 -2.606 19954 2861 1 5 . 1 1 37 37 LEU CB C 37 40.182 40.182 40.572 -0.390 19954 2862 1 5 . 1 1 37 37 LEU H H 37 8.351 8.351 8.280 0.071 19954 2863 1 5 . 1 1 38 38 ASP N N 38 119.008 119.008 117.754 1.254 19954 2864 1 5 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.315 0.141 19954 2865 1 5 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.511 -4.371 19954 2866 1 5 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.386 -2.487 19954 2867 1 5 . 1 1 38 38 ASP H H 38 7.557 7.557 8.139 -0.582 19954 2868 1 5 . 1 1 39 39 HIS N N 39 118.142 118.142 117.914 0.228 19954 2869 1 5 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.644 -0.019 19954 2870 1 5 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.493 -2.347 19954 2871 1 5 . 1 1 39 39 HIS CB C 39 25.506 25.506 30.432 -4.926 19954 2872 1 5 . 1 1 39 39 HIS H H 39 7.094 7.094 7.712 -0.618 19954 2873 1 5 . 1 1 40 40 ILE N N 40 121.885 121.885 125.671 -3.786 19954 2874 1 5 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.990 -0.564 19954 2875 1 5 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.009 1.584 19954 2876 1 5 . 1 1 40 40 ILE CB C 40 36.173 36.173 36.915 -0.742 19954 2877 1 5 . 1 1 40 40 ILE H H 40 7.630 7.630 8.553 -0.923 19954 2878 1 5 . 1 1 41 41 ASP N N 41 114.814 114.814 118.863 -4.049 19954 2879 1 5 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.539 -0.353 19954 2880 1 5 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.059 -0.043 19954 2881 1 5 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.836 -4.000 19954 2882 1 5 . 1 1 41 41 ASP H H 41 8.433 8.433 8.636 -0.203 19954 2883 1 5 . 1 1 42 42 ILE N N 42 113.793 113.793 113.076 0.717 19954 2884 1 5 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.417 0.295 19954 2885 1 5 . 1 1 42 42 ILE CA C 42 58.241 58.241 59.931 -1.690 19954 2886 1 5 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.128 -3.232 19954 2887 1 5 . 1 1 42 42 ILE H H 42 7.447 7.447 7.042 0.405 19954 2888 1 5 . 1 1 43 43 GLU N N 43 120.845 120.845 122.996 -2.151 19954 2889 1 5 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.095 -0.049 19954 2890 1 5 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.574 -2.806 19954 2891 1 5 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.450 -4.433 19954 2892 1 5 . 1 1 43 43 GLU H H 43 8.195 8.195 7.860 0.335 19954 2893 1 5 . 1 1 44 44 SER N N 44 113.781 113.781 116.236 -2.455 19954 2894 1 5 . 1 1 44 44 SER HA H 44 3.944 3.944 4.116 -0.172 19954 2895 1 5 . 1 1 44 44 SER CA C 44 59.590 59.590 61.899 -2.309 19954 2896 1 5 . 1 1 44 44 SER CB C 44 59.878 59.878 62.658 -2.780 19954 2897 1 5 . 1 1 44 44 SER H H 44 8.728 8.728 8.590 0.138 19954 2898 1 5 . 1 1 45 45 LYS N N 45 121.258 121.258 121.617 -0.359 19954 2899 1 5 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.012 0.067 19954 2900 1 5 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.777 -2.587 19954 2901 1 5 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.260 -0.783 19954 2902 1 5 . 1 1 45 45 LYS H H 45 7.329 7.329 8.221 -0.892 19954 2903 1 5 . 1 1 46 46 ILE N N 46 121.022 121.022 121.703 -0.681 19954 2904 1 5 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.878 -0.515 19954 2905 1 5 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.110 -1.853 19954 2906 1 5 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.700 -0.808 19954 2907 1 5 . 1 1 46 46 ILE H H 46 7.360 7.360 8.041 -0.681 19954 2908 1 5 . 1 1 47 47 ILE N N 47 118.543 118.543 119.536 -0.993 19954 2909 1 5 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.652 0.087 19954 2910 1 5 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.283 -5.626 19954 2911 1 5 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.363 -4.235 19954 2912 1 5 . 1 1 47 47 ILE H H 47 9.378 9.378 8.220 1.158 19954 2913 1 5 . 1 1 48 48 SER N N 48 113.001 113.001 114.980 -1.979 19954 2914 1 5 . 1 1 48 48 SER HA H 48 4.016 4.016 4.214 -0.198 19954 2915 1 5 . 1 1 48 48 SER CA C 48 59.574 59.574 62.054 -2.480 19954 2916 1 5 . 1 1 48 48 SER CB C 48 60.341 60.341 62.876 -2.535 19954 2917 1 5 . 1 1 48 48 SER H H 48 7.382 7.382 8.633 -1.251 19954 2918 1 5 . 1 1 49 49 LEU N N 49 120.059 120.059 123.263 -3.204 19954 2919 1 5 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.174 -0.004 19954 2920 1 5 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.408 -2.743 19954 2921 1 5 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.040 -2.290 19954 2922 1 5 . 1 1 49 49 LEU H H 49 7.477 7.477 8.294 -0.817 19954 2923 1 5 . 1 1 50 50 ILE N N 50 115.429 115.429 117.551 -2.122 19954 2924 1 5 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.519 0.574 19954 2925 1 5 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.042 -2.238 19954 2926 1 5 . 1 1 50 50 ILE H H 50 8.081 8.081 7.846 0.235 19954 2927 1 5 . 1 1 51 51 ILE N N 51 125.106 125.106 122.229 2.877 19954 2928 1 5 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.565 -0.110 19954 2929 1 5 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.078 -1.930 19954 2930 1 5 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.735 -2.016 19954 2931 1 5 . 1 1 51 51 ILE H H 51 8.194 8.194 8.077 0.117 19954 2932 1 5 . 1 1 52 52 ASP N N 52 119.519 119.519 119.305 0.214 19954 2933 1 5 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.283 -0.039 19954 2934 1 5 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.883 -2.899 19954 2935 1 5 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.891 -3.026 19954 2936 1 5 . 1 1 52 52 ASP H H 52 7.850 7.850 8.281 -0.431 19954 2937 1 5 . 1 1 53 53 TYR N N 53 118.402 118.402 120.300 -1.898 19954 2938 1 5 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.015 -0.123 19954 2939 1 5 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.250 -1.505 19954 2940 1 5 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.479 -2.615 19954 2941 1 5 . 1 1 53 53 TYR H H 53 8.260 8.260 8.692 -0.432 19954 2942 1 5 . 1 1 54 54 SER N N 54 111.626 111.626 116.526 -4.900 19954 2943 1 5 . 1 1 54 54 SER HA H 54 4.058 4.058 4.004 0.054 19954 2944 1 5 . 1 1 54 54 SER CA C 54 58.733 58.733 60.941 -2.208 19954 2945 1 5 . 1 1 54 54 SER CB C 54 62.430 62.430 63.620 -1.190 19954 2946 1 5 . 1 1 54 54 SER H H 54 7.316 7.316 8.017 -0.701 19954 2947 1 5 . 1 1 55 55 ARG N N 55 114.937 114.937 120.744 -5.807 19954 2948 1 5 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.490 0.682 19954 2949 1 5 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.791 -1.518 19954 2950 1 5 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.662 -1.412 19954 2951 1 5 . 1 1 55 55 ARG H H 55 7.901 7.901 7.512 0.389 19954 2952 1 5 . 1 1 56 56 LEU N N 56 116.307 116.307 118.650 -2.343 19954 2953 1 5 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.026 0.177 19954 2954 1 5 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.653 -3.853 19954 2955 1 5 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.267 -1.399 19954 2956 1 5 . 1 1 56 56 LEU H H 56 7.802 7.802 7.735 0.067 19954 2957 1 5 . 1 1 57 57 CYS N N 57 119.062 119.062 117.213 1.849 19954 2958 1 5 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.121 0.119 19954 2959 1 5 . 1 1 57 57 CYS CA C 57 53.750 53.750 58.399 -4.649 19954 2960 1 5 . 1 1 57 57 CYS CB C 57 22.076 22.076 25.974 -3.898 19954 2961 1 5 . 1 1 57 57 CYS H H 57 7.717 7.717 7.527 0.190 19954 2962 1 5 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.505 -0.160 19954 2963 1 5 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.823 -2.341 19954 2964 1 5 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.180 -2.020 19954 2965 1 5 . 1 1 59 59 ASP N N 59 123.671 123.671 117.763 5.908 19954 2966 1 5 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.086 -0.169 19954 2967 1 5 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.220 -2.406 19954 2968 1 5 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.219 -2.296 19954 2969 1 5 . 1 1 59 59 ASP H H 59 8.696 8.696 8.668 0.028 19954 2970 1 5 . 1 1 60 60 SER N N 60 110.600 110.600 115.638 -5.038 19954 2971 1 5 . 1 1 60 60 SER HA H 60 4.103 4.103 4.003 0.100 19954 2972 1 5 . 1 1 60 60 SER CA C 60 57.379 57.379 61.387 -4.008 19954 2973 1 5 . 1 1 60 60 SER CB C 60 61.562 61.562 62.326 -0.764 19954 2974 1 5 . 1 1 60 60 SER H H 60 8.119 8.119 8.514 -0.395 19954 2975 1 5 . 1 1 61 61 HIS N N 61 122.391 122.391 120.206 2.185 19954 2976 1 5 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.026 0.607 19954 2977 1 5 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.844 -4.130 19954 2978 1 5 . 1 1 61 61 HIS CB C 61 29.942 29.942 28.953 0.989 19954 2979 1 5 . 1 1 61 61 HIS H H 61 8.123 8.123 8.491 -0.368 19954 2980 1 5 . 1 1 62 62 LYS N N 62 121.665 121.665 119.445 2.220 19954 2981 1 5 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.223 0.472 19954 2982 1 5 . 1 1 62 62 LYS CA C 62 55.760 55.760 58.844 -3.084 19954 2983 1 5 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.576 -1.280 19954 2984 1 5 . 1 1 62 62 LYS H H 62 7.512 7.512 6.844 0.668 19954 2985 1 5 . 1 1 63 63 LEU N N 63 117.792 117.792 119.863 -2.071 19954 2986 1 5 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.772 -0.314 19954 2987 1 5 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.153 -0.528 19954 2988 1 5 . 1 1 63 63 LEU CB C 63 38.049 38.049 40.990 -2.941 19954 2989 1 5 . 1 1 63 63 LEU H H 63 8.136 8.136 7.091 1.045 19954 2990 1 5 . 1 1 64 64 GLY N N 64 105.340 105.340 105.807 -0.467 19954 2991 1 5 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.323 -1.776 19954 2992 1 5 . 1 1 64 64 GLY H H 64 8.616 8.616 8.341 0.275 19954 2993 1 5 . 1 1 65 65 SER N N 65 117.745 117.745 117.828 -0.083 19954 2994 1 5 . 1 1 65 65 SER HA H 65 4.265 4.265 4.143 0.122 19954 2995 1 5 . 1 1 65 65 SER CA C 65 58.998 58.998 61.223 -2.225 19954 2996 1 5 . 1 1 65 65 SER CB C 65 67.350 67.350 62.896 4.454 19954 2997 1 5 . 1 1 65 65 SER H H 65 7.894 7.894 7.869 0.025 19954 2998 1 5 . 1 1 66 66 LEU N N 66 124.161 124.161 121.170 2.991 19954 2999 1 5 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.992 0.309 19954 3000 1 5 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.466 -4.411 19954 3001 1 5 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.797 -3.690 19954 3002 1 5 . 1 1 66 66 LEU H H 66 7.407 7.407 7.663 -0.256 19954 3003 1 5 . 1 1 67 67 TYR N N 67 121.466 121.466 117.591 3.875 19954 3004 1 5 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.273 0.271 19954 3005 1 5 . 1 1 67 67 TYR CA C 67 53.439 53.439 59.671 -6.232 19954 3006 1 5 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.299 -3.118 19954 3007 1 5 . 1 1 67 67 TYR H H 67 8.001 8.001 7.735 0.266 19954 3008 1 5 . 1 1 68 68 ILE N N 68 121.357 121.357 120.373 0.984 19954 3009 1 5 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.631 -0.396 19954 3010 1 5 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.141 -1.759 19954 3011 1 5 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.898 -1.818 19954 3012 1 5 . 1 1 68 68 ILE H H 68 7.811 7.811 7.893 -0.082 19954 3013 1 5 . 1 1 69 69 ILE N N 69 117.955 117.955 119.605 -1.650 19954 3014 1 5 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.573 -0.224 19954 3015 1 5 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.765 -2.352 19954 3016 1 5 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.572 -1.653 19954 3017 1 5 . 1 1 69 69 ILE H H 69 6.886 6.886 8.582 -1.696 19954 3018 1 5 . 1 1 70 70 ASP N N 70 118.932 118.932 120.161 -1.229 19954 3019 1 5 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.372 0.024 19954 3020 1 5 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.764 -1.730 19954 3021 1 5 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.856 0.733 19954 3022 1 5 . 1 1 70 70 ASP H H 70 9.100 9.100 8.257 0.843 19954 3023 1 5 . 1 1 71 71 SER N N 71 110.354 110.354 115.715 -5.361 19954 3024 1 5 . 1 1 71 71 SER HA H 71 4.104 4.104 4.215 -0.111 19954 3025 1 5 . 1 1 71 71 SER CA C 71 58.746 58.746 61.763 -3.017 19954 3026 1 5 . 1 1 71 71 SER CB C 71 61.136 61.136 63.189 -2.053 19954 3027 1 5 . 1 1 71 71 SER H H 71 7.938 7.938 7.852 0.086 19954 3028 1 5 . 1 1 72 72 ILE N N 72 117.565 117.565 121.095 -3.530 19954 3029 1 5 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.580 -0.315 19954 3030 1 5 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.065 -1.416 19954 3031 1 5 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.553 -1.789 19954 3032 1 5 . 1 1 72 72 ILE H H 72 7.912 7.912 7.773 0.139 19954 3033 1 5 . 1 1 73 73 GLY N N 73 107.350 107.350 107.562 -0.212 19954 3034 1 5 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.028 -2.281 19954 3035 1 5 . 1 1 73 73 GLY H H 73 8.847 8.847 8.540 0.307 19954 3036 1 5 . 1 1 74 74 ARG N N 74 118.068 118.068 122.217 -4.149 19954 3037 1 5 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.709 0.241 19954 3038 1 5 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.750 -0.578 19954 3039 1 5 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.099 -2.427 19954 3040 1 5 . 1 1 74 74 ARG H H 74 8.705 8.705 8.035 0.670 19954 3041 1 5 . 1 1 75 75 ALA N N 75 123.817 123.817 122.138 1.679 19954 3042 1 5 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.985 0.231 19954 3043 1 5 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.301 -2.439 19954 3044 1 5 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.457 -3.056 19954 3045 1 5 . 1 1 75 75 ALA H H 75 7.673 7.673 7.840 -0.167 19954 3046 1 5 . 1 1 76 76 TYR N N 76 119.918 119.918 118.680 1.238 19954 3047 1 5 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.159 0.378 19954 3048 1 5 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.396 -5.303 19954 3049 1 5 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.810 -4.007 19954 3050 1 5 . 1 1 76 76 TYR H H 76 8.659 8.659 8.463 0.196 19954 3051 1 5 . 1 1 77 77 LEU N N 77 123.387 123.387 120.217 3.170 19954 3052 1 5 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.724 0.090 19954 3053 1 5 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.663 -3.488 19954 3054 1 5 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.697 -1.823 19954 3055 1 5 . 1 1 77 77 LEU H H 77 8.756 8.756 8.524 0.232 19954 3056 1 5 . 1 1 78 78 ASP N N 78 120.181 120.181 118.409 1.772 19954 3057 1 5 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.238 0.057 19954 3058 1 5 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.815 -3.012 19954 3059 1 5 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.582 -2.759 19954 3060 1 5 . 1 1 78 78 ASP H H 78 7.891 7.891 8.146 -0.255 19954 3061 1 5 . 1 1 79 79 GLU N N 79 120.503 120.503 118.831 1.672 19954 3062 1 5 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.967 0.051 19954 3063 1 5 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.247 -2.773 19954 3064 1 5 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.276 -2.072 19954 3065 1 5 . 1 1 79 79 GLU H H 79 7.502 7.502 7.935 -0.433 19954 3066 1 5 . 1 1 80 80 THR N N 80 111.013 111.013 114.301 -3.288 19954 3067 1 5 . 1 1 80 80 THR HA H 80 4.151 4.151 4.009 0.142 19954 3068 1 5 . 1 1 80 80 THR CA C 80 61.984 61.984 64.850 -2.866 19954 3069 1 5 . 1 1 80 80 THR CB C 80 67.420 67.420 68.810 -1.390 19954 3070 1 5 . 1 1 80 80 THR H H 80 7.883 7.883 7.710 0.173 19954 3071 1 5 . 1 1 81 81 ARG N N 81 120.172 120.172 119.157 1.015 19954 3072 1 5 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.114 -0.035 19954 3073 1 5 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.292 -3.155 19954 3074 1 5 . 1 1 81 81 ARG H H 81 7.471 7.471 8.074 -0.603 19954 3075 1 5 . 1 1 82 82 SER N N 82 113.571 113.571 113.350 0.221 19954 3076 1 5 . 1 1 82 82 SER HA H 82 4.329 4.329 4.209 0.120 19954 3077 1 5 . 1 1 82 82 SER CA C 82 56.193 56.193 60.634 -4.441 19954 3078 1 5 . 1 1 82 82 SER CB C 82 72.312 72.312 63.202 9.110 19954 3079 1 5 . 1 1 82 82 SER H H 82 7.744 7.744 7.960 -0.216 19954 3080 1 5 . 1 1 83 83 ASN N N 83 119.990 119.990 117.379 2.611 19954 3081 1 5 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.655 0.087 19954 3082 1 5 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.517 -3.354 19954 3083 1 5 . 1 1 83 83 ASN H H 83 7.792 7.792 7.698 0.094 19954 3084 1 5 . 1 1 84 84 SER N N 84 116.799 116.799 111.574 5.225 19954 3085 1 5 . 1 1 84 84 SER HA H 84 4.291 4.291 4.459 -0.168 19954 3086 1 5 . 1 1 84 84 SER CA C 84 56.325 56.325 57.547 -1.222 19954 3087 1 5 . 1 1 84 84 SER H H 84 8.352 8.352 7.981 0.371 19954 3088 1 5 . 1 1 85 85 ASN N N 85 120.087 120.087 118.456 1.631 19954 3089 1 5 . 1 1 85 85 ASN HA H 85 4.667 4.667 5.058 -0.391 19954 3090 1 5 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.629 -1.821 19954 3091 1 5 . 1 1 85 85 ASN H H 85 8.362 8.362 8.309 0.053 19954 3092 1 5 . 1 1 86 86 SER N N 86 116.068 116.068 113.441 2.627 19954 3093 1 5 . 1 1 86 86 SER HA H 86 4.362 4.362 4.683 -0.321 19954 3094 1 5 . 1 1 86 86 SER CA C 86 55.853 55.853 57.050 -1.197 19954 3095 1 5 . 1 1 86 86 SER H H 86 8.102 8.102 8.328 -0.226 19954 3096 1 5 . 1 1 87 87 SER N N 87 117.615 117.615 116.514 1.101 19954 3097 1 5 . 1 1 87 87 SER HA H 87 4.302 4.302 4.580 -0.278 19954 3098 1 5 . 1 1 87 87 SER CA C 87 55.608 55.608 58.730 -3.122 19954 3099 1 5 . 1 1 87 87 SER H H 87 8.269 8.269 8.511 -0.242 19954 3100 1 5 . 1 1 88 88 SER N N 88 122.455 122.455 112.854 9.601 19954 3101 1 5 . 1 1 88 88 SER CA C 88 53.710 53.710 57.872 -4.162 19954 3102 1 5 . 1 1 88 88 SER H H 88 8.377 8.377 8.468 -0.091 19954 3103 1 5 . 1 1 89 89 ASN N N 89 115.430 115.430 120.402 -4.972 19954 3104 1 5 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.259 5.641 19954 3105 1 5 . 1 1 89 89 ASN H H 89 8.141 8.141 7.952 0.189 19954 3106 1 5 . 1 1 90 90 LYS N N 90 128.071 128.071 120.766 7.305 19954 3107 1 5 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.469 -1.088 19954 3108 1 5 . 1 1 90 90 LYS H H 90 7.961 7.961 8.228 -0.267 19954 3109 1 5 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.246 -0.841 19954 3110 1 5 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.867 -2.246 19954 3111 1 5 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.454 -3.761 19954 3112 1 5 . 1 1 92 92 GLY N N 92 112.403 112.403 107.108 5.295 19954 3113 1 5 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.248 -2.943 19954 3114 1 5 . 1 1 92 92 GLY H H 92 10.139 10.139 8.738 1.401 19954 3115 1 5 . 1 1 93 93 THR N N 93 106.254 106.254 109.706 -3.452 19954 3116 1 5 . 1 1 93 93 THR HA H 93 4.527 4.527 5.179 -0.652 19954 3117 1 5 . 1 1 93 93 THR CA C 93 56.663 56.663 59.711 -3.048 19954 3118 1 5 . 1 1 93 93 THR CB C 93 70.927 70.927 71.568 -0.641 19954 3119 1 5 . 1 1 93 93 THR H H 93 7.180 7.180 7.488 -0.308 19954 3120 1 5 . 1 1 94 94 CYS N N 94 121.465 121.465 120.805 0.660 19954 3121 1 5 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.873 -0.423 19954 3122 1 5 . 1 1 94 94 CYS CA C 94 60.867 60.867 61.645 -0.778 19954 3123 1 5 . 1 1 94 94 CYS CB C 94 25.246 25.246 25.972 -0.726 19954 3124 1 5 . 1 1 94 94 CYS H H 94 8.777 8.777 8.623 0.154 19954 3125 1 5 . 1 1 95 95 ALA N N 95 119.619 119.619 124.958 -5.339 19954 3126 1 5 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.861 -0.019 19954 3127 1 5 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.479 -2.734 19954 3128 1 5 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.901 -2.197 19954 3129 1 5 . 1 1 95 95 ALA H H 95 8.392 8.392 8.314 0.078 19954 3130 1 5 . 1 1 96 96 HIS N N 96 118.081 118.081 119.162 -1.081 19954 3131 1 5 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.203 0.003 19954 3132 1 5 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.953 -2.262 19954 3133 1 5 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.509 -2.425 19954 3134 1 5 . 1 1 96 96 HIS H H 96 7.631 7.631 8.501 -0.870 19954 3135 1 5 . 1 1 97 97 ALA N N 97 123.652 123.652 122.437 1.215 19954 3136 1 5 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.069 -0.128 19954 3137 1 5 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.623 -2.465 19954 3138 1 5 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.708 -1.044 19954 3139 1 5 . 1 1 97 97 ALA H H 97 7.347 7.347 7.958 -0.611 19954 3140 1 5 . 1 1 98 98 ILE N N 98 115.278 115.278 119.251 -3.973 19954 3141 1 5 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.743 -0.219 19954 3142 1 5 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.170 -3.187 19954 3143 1 5 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.820 -2.153 19954 3144 1 5 . 1 1 98 98 ILE H H 98 7.916 7.916 8.637 -0.721 19954 3145 1 5 . 1 1 99 99 ASN N N 99 120.684 120.684 117.557 3.127 19954 3146 1 5 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.385 0.019 19954 3147 1 5 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.413 -2.273 19954 3148 1 5 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.223 -1.978 19954 3149 1 5 . 1 1 99 99 ASN H H 99 7.978 7.978 8.079 -0.101 19954 3150 1 5 . 1 1 100 100 THR N N 100 117.791 117.791 117.159 0.632 19954 3151 1 5 . 1 1 100 100 THR HA H 100 3.630 3.630 3.834 -0.204 19954 3152 1 5 . 1 1 100 100 THR CA C 100 63.899 63.899 66.266 -2.367 19954 3153 1 5 . 1 1 100 100 THR CB C 100 66.038 66.038 68.855 -2.817 19954 3154 1 5 . 1 1 100 100 THR H H 100 8.295 8.295 8.084 0.211 19954 3155 1 5 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.823 -0.105 19954 3156 1 5 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.060 -3.635 19954 3157 1 5 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.648 -0.460 19954 3158 1 5 . 1 1 101 101 LEU H H 101 7.825 7.825 8.321 -0.496 19954 3159 1 5 . 1 1 102 102 GLY N N 102 105.767 105.767 103.590 2.177 19954 3160 1 5 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.428 -1.087 19954 3161 1 5 . 1 1 102 102 GLY H H 102 8.591 8.591 7.963 0.627 19954 3162 1 5 . 1 1 103 103 GLU N N 103 116.366 116.366 119.316 -2.950 19954 3163 1 5 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.309 -0.242 19954 3164 1 5 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.831 -2.385 19954 3165 1 5 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.090 -2.713 19954 3166 1 5 . 1 1 103 103 GLU H H 103 7.471 7.471 7.757 -0.286 19954 3167 1 5 . 1 1 104 104 VAL N N 104 108.377 108.377 113.235 -4.858 19954 3168 1 5 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.455 0.301 19954 3169 1 5 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.167 -4.312 19954 3170 1 5 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.555 -2.677 19954 3171 1 5 . 1 1 104 104 VAL H H 104 7.016 7.016 7.836 -0.820 19954 3172 1 5 . 1 1 105 105 ILE N N 105 123.784 123.784 122.385 1.399 19954 3173 1 5 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.593 0.161 19954 3174 1 5 . 1 1 105 105 ILE CA C 105 58.400 58.400 63.814 -5.414 19954 3175 1 5 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.946 -2.535 19954 3176 1 5 . 1 1 105 105 ILE H H 105 7.197 7.197 8.575 -1.378 19954 3177 1 5 . 1 1 106 106 GLN N N 106 121.117 121.117 118.636 2.481 19954 3178 1 5 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.783 -0.128 19954 3179 1 5 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.211 -0.877 19954 3180 1 5 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.230 -0.338 19954 3181 1 5 . 1 1 106 106 GLN H H 106 8.549 8.549 8.590 -0.041 19954 3182 1 5 . 1 1 107 107 GLU N N 107 122.716 122.716 121.497 1.219 19954 3183 1 5 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.034 -0.197 19954 3184 1 5 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.650 -2.062 19954 3185 1 5 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.902 -2.368 19954 3186 1 5 . 1 1 107 107 GLU H H 107 7.762 7.762 7.959 -0.197 19954 3187 1 5 . 1 1 108 108 LEU N N 108 116.615 116.615 121.042 -4.427 19954 3188 1 5 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.956 0.023 19954 3189 1 5 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.837 -3.043 19954 3190 1 5 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.555 -3.058 19954 3191 1 5 . 1 1 108 108 LEU H H 108 8.016 8.016 7.355 0.661 19954 3192 1 5 . 1 1 109 109 LEU N N 109 118.708 118.708 119.107 -0.399 19954 3193 1 5 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.701 0.139 19954 3194 1 5 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.708 -2.982 19954 3195 1 5 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.519 -0.197 19954 3196 1 5 . 1 1 109 109 LEU H H 109 8.801 8.801 8.482 0.319 19954 3197 1 5 . 1 1 110 110 SER N N 110 114.083 114.083 114.882 -0.799 19954 3198 1 5 . 1 1 110 110 SER HA H 110 3.848 3.848 3.280 0.568 19954 3199 1 5 . 1 1 110 110 SER CA C 110 60.127 60.127 61.240 -1.113 19954 3200 1 5 . 1 1 110 110 SER CB C 110 60.300 60.300 61.730 -1.430 19954 3201 1 5 . 1 1 110 110 SER H H 110 8.161 8.161 7.947 0.214 19954 3202 1 5 . 1 1 111 111 ASP N N 111 120.151 120.151 122.882 -2.731 19954 3203 1 5 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.213 0.129 19954 3204 1 5 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.171 -2.404 19954 3205 1 5 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.369 -0.625 19954 3206 1 5 . 1 1 111 111 ASP H H 111 7.614 7.614 7.785 -0.171 19954 3207 1 5 . 1 1 112 112 ALA N N 112 116.927 116.927 122.557 -5.630 19954 3208 1 5 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.794 -0.205 19954 3209 1 5 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.282 -2.559 19954 3210 1 5 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.386 -0.739 19954 3211 1 5 . 1 1 112 112 ALA H H 112 7.662 7.662 8.060 -0.398 19954 3212 1 5 . 1 1 113 113 ILE N N 113 119.039 119.039 116.868 2.171 19954 3213 1 5 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.584 -0.357 19954 3214 1 5 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.148 -0.468 19954 3215 1 5 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.585 -1.426 19954 3216 1 5 . 1 1 113 113 ILE H H 113 8.681 8.681 8.041 0.640 19954 3217 1 5 . 1 1 114 114 ALA N N 114 120.055 120.055 121.851 -1.796 19954 3218 1 5 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.937 -0.030 19954 3219 1 5 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.473 -1.885 19954 3220 1 5 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.896 -2.765 19954 3221 1 5 . 1 1 114 114 ALA H H 114 7.716 7.716 7.852 -0.136 19954 3222 1 5 . 1 1 115 115 LYS N N 115 113.845 113.845 118.546 -4.701 19954 3223 1 5 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.036 0.047 19954 3224 1 5 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.975 -4.020 19954 3225 1 5 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.717 -1.084 19954 3226 1 5 . 1 1 115 115 LYS H H 115 7.248 7.248 7.952 -0.704 19954 3227 1 5 . 1 1 116 116 SER N N 116 115.794 115.794 113.498 2.296 19954 3228 1 5 . 1 1 116 116 SER HA H 116 4.503 4.503 4.358 0.145 19954 3229 1 5 . 1 1 116 116 SER CA C 116 57.848 57.848 59.925 -2.077 19954 3230 1 5 . 1 1 116 116 SER CB C 116 63.380 63.380 63.539 -0.159 19954 3231 1 5 . 1 1 116 116 SER H H 116 7.124 7.124 8.069 -0.945 19954 3232 1 5 . 1 1 117 117 ASN N N 117 119.747 119.747 121.326 -1.579 19954 3233 1 5 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.763 -0.241 19954 3234 1 5 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.892 -2.550 19954 3235 1 5 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.626 -4.344 19954 3236 1 5 . 1 1 117 117 ASN H H 117 8.457 8.457 7.807 0.650 19954 3237 1 5 . 1 1 118 118 GLN N N 118 117.591 117.591 120.623 -3.032 19954 3238 1 5 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.851 -0.074 19954 3239 1 5 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.404 -3.220 19954 3240 1 5 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.546 2.995 19954 3241 1 5 . 1 1 118 118 GLN H H 118 8.418 8.418 8.894 -0.476 19954 3242 1 5 . 1 1 119 119 ASP N N 119 119.281 119.281 118.908 0.373 19954 3243 1 5 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.389 -0.099 19954 3244 1 5 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.762 -3.169 19954 3245 1 5 . 1 1 119 119 ASP CB C 119 38.903 38.903 39.718 -0.815 19954 3246 1 5 . 1 1 119 119 ASP H H 119 7.973 7.973 8.513 -0.540 19954 3247 1 5 . 1 1 120 120 HIS N N 120 118.871 118.871 118.743 0.128 19954 3248 1 5 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.099 0.241 19954 3249 1 5 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.662 -2.904 19954 3250 1 5 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.613 -1.885 19954 3251 1 5 . 1 1 120 120 HIS H H 120 8.702 8.702 8.106 0.596 19954 3252 1 5 . 1 1 121 121 LYS N N 121 120.739 120.739 119.025 1.714 19954 3253 1 5 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.866 -0.098 19954 3254 1 5 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.674 0.011 19954 3255 1 5 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.423 -0.499 19954 3256 1 5 . 1 1 121 121 LYS H H 121 8.990 8.990 8.763 0.227 19954 3257 1 5 . 1 1 122 122 GLU N N 122 117.889 117.889 119.524 -1.635 19954 3258 1 5 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.013 0.049 19954 3259 1 5 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.556 -3.451 19954 3260 1 5 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.181 -2.490 19954 3261 1 5 . 1 1 122 122 GLU H H 122 7.615 7.615 7.972 -0.357 19954 3262 1 5 . 1 1 123 123 LYS N N 123 119.139 119.139 119.480 -0.341 19954 3263 1 5 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.073 -0.114 19954 3264 1 5 . 1 1 123 123 LYS CA C 123 56.602 56.602 59.406 -2.804 19954 3265 1 5 . 1 1 123 123 LYS CB C 123 30.223 30.223 32.309 -2.086 19954 3266 1 5 . 1 1 123 123 LYS H H 123 7.550 7.550 7.621 -0.071 19954 3267 1 5 . 1 1 124 124 ILE N N 124 123.103 123.103 119.864 3.239 19954 3268 1 5 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.486 -0.260 19954 3269 1 5 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.644 -1.960 19954 3270 1 5 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.547 -2.804 19954 3271 1 5 . 1 1 124 124 ILE H H 124 8.356 8.356 7.843 0.513 19954 3272 1 5 . 1 1 125 125 ARG N N 125 122.162 122.162 119.873 2.289 19954 3273 1 5 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.848 -0.742 19954 3274 1 5 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.450 -1.426 19954 3275 1 5 . 1 1 125 125 ARG CB C 125 31.971 31.971 29.996 1.975 19954 3276 1 5 . 1 1 125 125 ARG H H 125 7.988 7.988 8.020 -0.032 19954 3277 1 5 . 1 1 126 126 MET N N 126 115.215 115.215 118.853 -3.638 19954 3278 1 5 . 1 1 126 126 MET HA H 126 3.973 3.973 4.109 -0.136 19954 3279 1 5 . 1 1 126 126 MET CA C 126 55.896 55.896 58.948 -3.052 19954 3280 1 5 . 1 1 126 126 MET CB C 126 29.856 29.856 32.408 -2.553 19954 3281 1 5 . 1 1 126 126 MET H H 126 7.455 7.455 7.811 -0.356 19954 3282 1 5 . 1 1 127 127 LEU N N 127 122.351 122.351 120.552 1.799 19954 3283 1 5 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.762 -0.210 19954 3284 1 5 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.961 -3.173 19954 3285 1 5 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.323 -2.045 19954 3286 1 5 . 1 1 127 127 LEU H H 127 7.479 7.479 7.858 -0.379 19954 3287 1 5 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.554 0.329 19954 3288 1 5 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.219 -2.872 19954 3289 1 5 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.300 -2.490 19954 3290 1 5 . 1 1 128 128 LEU H H 128 7.841 7.841 8.100 -0.259 19954 3291 1 5 . 1 1 129 129 ASP N N 129 116.915 116.915 119.683 -2.768 19954 3292 1 5 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.346 0.041 19954 3293 1 5 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.800 -5.201 19954 3294 1 5 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.828 -2.962 19954 3295 1 5 . 1 1 129 129 ASP H H 129 7.034 7.034 7.765 -0.731 19954 3296 1 5 . 1 1 130 130 ILE N N 130 124.155 124.155 120.255 3.900 19954 3297 1 5 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.670 -0.027 19954 3298 1 5 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.137 -1.761 19954 3299 1 5 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.714 -2.930 19954 3300 1 5 . 1 1 130 130 ILE H H 130 7.671 7.671 7.822 -0.151 19954 3301 1 5 . 1 1 131 131 TRP N N 131 125.421 125.421 120.768 4.653 19954 3302 1 5 . 1 1 131 131 TRP H H 131 8.831 8.831 8.396 0.435 19954 3303 1 5 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.457 2.982 19954 3304 1 5 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.203 0.280 19954 3305 1 5 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.519 -4.782 19954 3306 1 5 . 1 1 144 144 ALA N N 144 121.013 121.013 122.997 -1.984 19954 3307 1 5 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.155 -0.051 19954 3308 1 5 . 1 1 144 144 ALA CA C 144 52.678 52.678 55.094 -2.417 19954 3309 1 5 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.459 -3.083 19954 3310 1 5 . 1 1 144 144 ALA H H 144 8.212 8.212 8.304 -0.092 19954 3311 1 5 . 1 1 145 145 ILE N N 145 117.646 117.646 115.770 1.876 19954 3312 1 5 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.853 -0.025 19954 3313 1 5 . 1 1 145 145 ILE CA C 145 58.344 58.344 63.016 -4.672 19954 3314 1 5 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.562 0.580 19954 3315 1 5 . 1 1 145 145 ILE H H 145 7.183 7.183 7.862 -0.679 19954 3316 1 5 . 1 1 146 146 ARG N N 146 121.150 121.150 121.398 -0.248 19954 3317 1 5 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.915 -0.013 19954 3318 1 5 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.891 -0.426 19954 3319 1 5 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.986 -2.203 19954 3320 1 5 . 1 1 146 146 ARG H H 146 8.477 8.477 8.038 0.439 19954 3321 1 5 . 1 1 147 147 SER N N 147 111.836 111.836 116.248 -4.412 19954 3322 1 5 . 1 1 147 147 SER HA H 147 4.162 4.162 4.345 -0.183 19954 3323 1 5 . 1 1 147 147 SER CA C 147 58.642 58.642 58.816 -0.174 19954 3324 1 5 . 1 1 147 147 SER CB C 147 60.972 60.972 62.880 -1.909 19954 3325 1 5 . 1 1 147 147 SER H H 147 8.187 8.187 7.945 0.242 19954 3326 1 5 . 1 1 148 148 LYS N N 148 118.675 118.675 127.181 -8.506 19954 3327 1 5 . 1 1 148 148 LYS HA H 148 4.138 4.138 4.022 0.116 19954 3328 1 5 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.440 -3.423 19954 3329 1 5 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.782 -0.002 19954 3330 1 5 . 1 1 148 148 LYS H H 148 7.837 7.837 8.420 -0.583 19954 3331 1 5 . 1 1 149 149 CYS N N 149 113.256 113.256 118.282 -5.026 19954 3332 1 5 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.122 0.470 19954 3333 1 5 . 1 1 149 149 CYS CA C 149 52.012 52.012 63.038 -11.026 19954 3334 1 5 . 1 1 149 149 CYS H H 149 8.267 8.267 8.282 -0.015 19954 3335 1 5 . 1 1 150 150 PHE N N 150 116.623 116.623 120.624 -4.001 19954 3336 1 5 . 1 1 150 150 PHE HA H 150 4.944 4.944 3.978 0.966 19954 3337 1 5 . 1 1 150 150 PHE CA C 150 54.409 54.409 62.358 -7.949 19954 3338 1 5 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.797 -0.744 19954 3339 1 5 . 1 1 150 150 PHE H H 150 7.373 7.373 8.569 -1.196 19954 3340 1 5 . 1 1 151 151 ALA N N 151 122.583 122.583 121.273 1.310 19954 3341 1 5 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.862 0.317 19954 3342 1 5 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.312 -4.671 19954 3343 1 5 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.409 -2.470 19954 3344 1 5 . 1 1 151 151 ALA H H 151 7.710 7.710 8.519 -0.809 19954 3345 1 5 . 1 1 152 152 MET N N 152 118.250 118.250 116.570 1.680 19954 3346 1 5 . 1 1 152 152 MET HA H 152 4.262 4.262 4.077 0.185 19954 3347 1 5 . 1 1 152 152 MET CA C 152 53.482 53.482 59.108 -5.626 19954 3348 1 5 . 1 1 152 152 MET CB C 152 30.488 30.488 32.343 -1.855 19954 3349 1 5 . 1 1 152 152 MET H H 152 8.086 8.086 8.099 -0.013 19954 3350 1 5 . 1 1 153 153 ASP N N 153 121.780 121.780 119.975 1.805 19954 3351 1 5 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.451 0.027 19954 3352 1 5 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.781 -5.155 19954 3353 1 5 . 1 1 153 153 ASP CB C 153 38.460 38.460 42.208 -3.748 19954 3354 1 5 . 1 1 153 153 ASP H H 153 8.299 8.299 7.963 0.336 19954 3355 1 5 . 1 1 154 154 LEU N N 154 122.337 122.337 115.540 6.797 19954 3356 1 5 . 1 1 154 154 LEU HA H 154 4.108 4.108 3.917 0.191 19954 3357 1 5 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.797 -3.943 19954 3358 1 5 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.636 -1.920 19954 3359 1 5 . 1 1 154 154 LEU H H 154 8.072 8.072 7.784 0.288 19954 3360 1 5 . 1 1 155 155 GLU N N 155 119.995 119.995 119.408 0.587 19954 3361 1 5 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.107 -0.112 19954 3362 1 5 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.800 -3.501 19954 3363 1 5 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.068 -1.434 19954 3364 1 5 . 1 1 155 155 GLU H H 155 8.151 8.151 8.065 0.086 19954 3365 1 5 . 1 1 156 156 HIS N N 156 118.980 118.980 120.496 -1.516 19954 3366 1 5 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.308 -0.088 19954 3367 1 5 . 1 1 156 156 HIS CA C 156 53.443 53.443 57.035 -3.592 19954 3368 1 5 . 1 1 156 156 HIS H H 156 8.007 8.007 8.681 -0.674 19954 3369 1 5 . 1 1 157 157 HIS N N 157 121.956 121.956 117.832 4.124 19954 3370 1 5 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.516 -0.105 19954 3371 1 5 . 1 1 157 157 HIS CA C 157 53.252 53.252 56.545 -3.293 19954 3372 1 5 . 1 1 157 157 HIS H H 157 8.580 8.580 7.918 0.662 19954 3373 1 5 . 1 1 158 158 HIS N N 158 125.474 125.474 122.016 3.458 19954 3374 1 5 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.729 -1.101 19954 3375 1 5 . 1 1 158 158 HIS H H 158 7.906 7.906 8.218 -0.312 19954 3376 1 6 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.482 -0.167 19954 3377 1 6 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.962 -4.248 19954 3378 1 6 . 1 1 5 5 ASP N N 5 120.880 120.880 117.258 3.622 19954 3379 1 6 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.922 -0.468 19954 3380 1 6 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.116 -0.541 19954 3381 1 6 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.756 -3.032 19954 3382 1 6 . 1 1 5 5 ASP H H 5 8.277 8.277 7.931 0.346 19954 3383 1 6 . 1 1 6 6 ASP N N 6 120.876 120.876 120.082 0.794 19954 3384 1 6 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.732 -0.250 19954 3385 1 6 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.532 -0.570 19954 3386 1 6 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.674 -4.116 19954 3387 1 6 . 1 1 6 6 ASP H H 6 8.497 8.497 7.684 0.813 19954 3388 1 6 . 1 1 7 7 PHE N N 7 122.789 122.789 120.261 2.528 19954 3389 1 6 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.327 -0.218 19954 3390 1 6 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.813 -1.943 19954 3391 1 6 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.513 -2.846 19954 3392 1 6 . 1 1 7 7 PHE H H 7 8.337 8.337 8.704 -0.367 19954 3393 1 6 . 1 1 8 8 GLN N N 8 116.255 116.255 119.509 -3.254 19954 3394 1 6 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.819 -0.070 19954 3395 1 6 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.614 -3.888 19954 3396 1 6 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.040 -3.252 19954 3397 1 6 . 1 1 8 8 GLN H H 8 8.488 8.488 8.675 -0.187 19954 3398 1 6 . 1 1 9 9 ASN N N 9 118.242 118.242 117.977 0.265 19954 3399 1 6 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.330 -0.016 19954 3400 1 6 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.334 -2.759 19954 3401 1 6 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.364 -2.111 19954 3402 1 6 . 1 1 9 9 ASN H H 9 7.801 7.801 7.779 0.022 19954 3403 1 6 . 1 1 10 10 PHE N N 10 124.982 124.982 121.081 3.901 19954 3404 1 6 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.720 -0.266 19954 3405 1 6 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.145 -2.151 19954 3406 1 6 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.238 -3.203 19954 3407 1 6 . 1 1 10 10 PHE H H 10 6.924 6.924 6.855 0.069 19954 3408 1 6 . 1 1 11 11 VAL N N 11 118.513 118.513 118.971 -0.458 19954 3409 1 6 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.114 -0.280 19954 3410 1 6 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.610 -2.379 19954 3411 1 6 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.093 -1.015 19954 3412 1 6 . 1 1 11 11 VAL H H 11 7.448 7.448 7.724 -0.276 19954 3413 1 6 . 1 1 12 12 ALA N N 12 119.214 119.214 120.700 -1.486 19954 3414 1 6 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.858 0.026 19954 3415 1 6 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.572 -3.146 19954 3416 1 6 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.957 -2.308 19954 3417 1 6 . 1 1 12 12 ALA H H 12 8.028 8.028 8.468 -0.440 19954 3418 1 6 . 1 1 13 13 THR N N 13 116.435 116.435 116.025 0.410 19954 3419 1 6 . 1 1 13 13 THR HA H 13 3.624 3.624 3.860 -0.236 19954 3420 1 6 . 1 1 13 13 THR CA C 13 64.041 64.041 66.481 -2.439 19954 3421 1 6 . 1 1 13 13 THR CB C 13 65.118 65.118 68.498 -3.380 19954 3422 1 6 . 1 1 13 13 THR H H 13 7.638 7.638 7.672 -0.034 19954 3423 1 6 . 1 1 14 14 LEU N N 14 126.284 126.284 122.399 3.885 19954 3424 1 6 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.662 -0.032 19954 3425 1 6 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.891 -2.404 19954 3426 1 6 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.334 -2.482 19954 3427 1 6 . 1 1 14 14 LEU H H 14 7.975 7.975 7.614 0.361 19954 3428 1 6 . 1 1 15 15 GLU N N 15 116.145 116.145 118.077 -1.932 19954 3429 1 6 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.895 -0.078 19954 3430 1 6 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.713 -3.319 19954 3431 1 6 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.057 -2.149 19954 3432 1 6 . 1 1 15 15 GLU H H 15 8.503 8.503 8.461 0.042 19954 3433 1 6 . 1 1 16 16 SER N N 16 114.452 114.452 114.433 0.019 19954 3434 1 6 . 1 1 16 16 SER HA H 16 4.196 4.196 4.217 -0.021 19954 3435 1 6 . 1 1 16 16 SER CA C 16 58.515 58.515 60.833 -2.317 19954 3436 1 6 . 1 1 16 16 SER CB C 16 60.155 60.155 62.844 -2.689 19954 3437 1 6 . 1 1 16 16 SER H H 16 7.643 7.643 7.942 -0.299 19954 3438 1 6 . 1 1 17 17 PHE N N 17 124.020 124.020 122.704 1.316 19954 3439 1 6 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.047 -0.223 19954 3440 1 6 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.784 -2.449 19954 3441 1 6 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.794 -1.940 19954 3442 1 6 . 1 1 17 17 PHE H H 17 8.082 8.082 8.046 0.036 19954 3443 1 6 . 1 1 18 18 LYS N N 18 116.570 116.570 117.931 -1.361 19954 3444 1 6 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.201 -0.254 19954 3445 1 6 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.002 -2.147 19954 3446 1 6 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.855 -2.404 19954 3447 1 6 . 1 1 18 18 LYS H H 18 7.849 7.849 7.807 0.042 19954 3448 1 6 . 1 1 19 19 ASP N N 19 116.332 116.332 119.645 -3.313 19954 3449 1 6 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.515 0.024 19954 3450 1 6 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.634 -3.477 19954 3451 1 6 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.627 -2.924 19954 3452 1 6 . 1 1 19 19 ASP H H 19 7.276 7.276 7.654 -0.378 19954 3453 1 6 . 1 1 20 20 LEU N N 20 119.769 119.769 117.363 2.406 19954 3454 1 6 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.287 0.112 19954 3455 1 6 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.790 -4.791 19954 3456 1 6 . 1 1 20 20 LEU H H 20 7.226 7.226 7.323 -0.097 19954 3457 1 6 . 1 1 21 21 LYS N N 21 126.041 126.041 116.777 9.264 19954 3458 1 6 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.522 -0.459 19954 3459 1 6 . 1 1 21 21 LYS CA C 21 56.849 56.849 57.137 -0.288 19954 3460 1 6 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.746 -1.112 19954 3461 1 6 . 1 1 21 21 LYS H H 21 9.203 9.203 8.342 0.861 19954 3462 1 6 . 1 1 22 22 SER N N 22 109.885 109.885 114.995 -5.110 19954 3463 1 6 . 1 1 22 22 SER HA H 22 4.322 4.322 4.374 -0.052 19954 3464 1 6 . 1 1 22 22 SER CA C 22 55.254 55.254 58.229 -2.975 19954 3465 1 6 . 1 1 22 22 SER CB C 22 62.254 62.254 63.024 -0.770 19954 3466 1 6 . 1 1 22 22 SER H H 22 8.607 8.607 7.774 0.833 19954 3467 1 6 . 1 1 23 23 GLY N N 23 106.286 106.286 109.242 -2.956 19954 3468 1 6 . 1 1 23 23 GLY CA C 23 43.980 43.980 45.232 -1.252 19954 3469 1 6 . 1 1 23 23 GLY H H 23 6.619 6.619 8.511 -1.892 19954 3470 1 6 . 1 1 24 24 ILE N N 24 118.883 118.883 120.915 -2.032 19954 3471 1 6 . 1 1 24 24 ILE HA H 24 3.984 3.984 3.981 0.003 19954 3472 1 6 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.112 -0.945 19954 3473 1 6 . 1 1 24 24 ILE CB C 24 39.646 39.646 41.918 -2.272 19954 3474 1 6 . 1 1 24 24 ILE H H 24 7.929 7.929 7.231 0.698 19954 3475 1 6 . 1 1 25 25 SER N N 25 117.952 117.952 118.919 -0.967 19954 3476 1 6 . 1 1 25 25 SER HA H 25 5.093 5.093 4.642 0.451 19954 3477 1 6 . 1 1 25 25 SER CA C 25 52.534 52.534 55.400 -2.866 19954 3478 1 6 . 1 1 25 25 SER CB C 25 61.938 61.938 64.258 -2.320 19954 3479 1 6 . 1 1 25 25 SER H H 25 5.660 5.660 7.633 -1.973 19954 3480 1 6 . 1 1 26 26 GLY N N 26 120.266 120.266 114.849 5.417 19954 3481 1 6 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.419 -1.932 19954 3482 1 6 . 1 1 26 26 GLY H H 26 8.596 8.596 9.088 -0.492 19954 3483 1 6 . 1 1 27 27 SER N N 27 120.500 120.500 117.143 3.357 19954 3484 1 6 . 1 1 27 27 SER HA H 27 4.410 4.410 4.123 0.287 19954 3485 1 6 . 1 1 27 27 SER CA C 27 58.793 58.793 61.968 -3.175 19954 3486 1 6 . 1 1 27 27 SER CB C 27 62.224 62.224 62.673 -0.449 19954 3487 1 6 . 1 1 27 27 SER H H 27 9.846 9.846 8.617 1.229 19954 3488 1 6 . 1 1 28 28 ARG N N 28 123.779 123.779 120.626 3.153 19954 3489 1 6 . 1 1 28 28 ARG HA H 28 3.885 3.885 4.022 -0.137 19954 3490 1 6 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.040 -2.200 19954 3491 1 6 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.673 -1.559 19954 3492 1 6 . 1 1 28 28 ARG H H 28 8.034 8.034 7.940 0.094 19954 3493 1 6 . 1 1 29 29 ILE N N 29 120.700 120.700 120.355 0.345 19954 3494 1 6 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.546 -0.074 19954 3495 1 6 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.334 -0.705 19954 3496 1 6 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.434 -1.766 19954 3497 1 6 . 1 1 29 29 ILE H H 29 8.374 8.374 7.932 0.442 19954 3498 1 6 . 1 1 30 30 LYS N N 30 124.209 124.209 120.420 3.789 19954 3499 1 6 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.909 0.119 19954 3500 1 6 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.295 -2.894 19954 3501 1 6 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.204 -2.924 19954 3502 1 6 . 1 1 30 30 LYS H H 30 8.231 8.231 8.064 0.167 19954 3503 1 6 . 1 1 31 31 LYS N N 31 120.422 120.422 119.618 0.804 19954 3504 1 6 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.053 -0.015 19954 3505 1 6 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.372 -1.754 19954 3506 1 6 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.048 -1.879 19954 3507 1 6 . 1 1 31 31 LYS H H 31 7.449 7.449 7.752 -0.303 19954 3508 1 6 . 1 1 32 32 LEU N N 32 118.348 118.348 119.488 -1.140 19954 3509 1 6 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.059 0.002 19954 3510 1 6 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.782 -3.372 19954 3511 1 6 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.265 -1.483 19954 3512 1 6 . 1 1 32 32 LEU H H 32 8.186 8.186 8.236 -0.050 19954 3513 1 6 . 1 1 33 33 THR N N 33 116.500 116.500 115.569 0.931 19954 3514 1 6 . 1 1 33 33 THR HA H 33 3.662 3.662 3.968 -0.306 19954 3515 1 6 . 1 1 33 33 THR CA C 33 64.726 64.726 67.016 -2.290 19954 3516 1 6 . 1 1 33 33 THR CB C 33 66.097 66.097 67.844 -1.748 19954 3517 1 6 . 1 1 33 33 THR H H 33 8.066 8.066 8.542 -0.476 19954 3518 1 6 . 1 1 34 34 THR N N 34 119.029 119.029 118.276 0.753 19954 3519 1 6 . 1 1 34 34 THR HA H 34 3.759 3.759 3.880 -0.121 19954 3520 1 6 . 1 1 34 34 THR CA C 34 64.291 64.291 66.543 -2.252 19954 3521 1 6 . 1 1 34 34 THR CB C 34 66.733 66.733 68.968 -2.235 19954 3522 1 6 . 1 1 34 34 THR H H 34 8.685 8.685 8.058 0.627 19954 3523 1 6 . 1 1 35 35 TYR N N 35 120.298 120.298 122.728 -2.430 19954 3524 1 6 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.077 0.125 19954 3525 1 6 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.737 -1.583 19954 3526 1 6 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.239 -2.229 19954 3527 1 6 . 1 1 35 35 TYR H H 35 7.663 7.663 8.332 -0.669 19954 3528 1 6 . 1 1 36 36 ALA N N 36 121.480 121.480 122.176 -0.696 19954 3529 1 6 . 1 1 36 36 ALA HA H 36 3.912 3.912 4.075 -0.163 19954 3530 1 6 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.163 -2.027 19954 3531 1 6 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.394 -3.521 19954 3532 1 6 . 1 1 36 36 ALA H H 36 8.543 8.543 8.637 -0.094 19954 3533 1 6 . 1 1 37 37 LEU N N 37 120.767 120.767 119.015 1.752 19954 3534 1 6 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.910 0.193 19954 3535 1 6 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.632 -3.792 19954 3536 1 6 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.830 -1.647 19954 3537 1 6 . 1 1 37 37 LEU H H 37 8.351 8.351 8.124 0.227 19954 3538 1 6 . 1 1 38 38 ASP N N 38 119.008 119.008 117.627 1.381 19954 3539 1 6 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.179 0.277 19954 3540 1 6 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.242 -4.102 19954 3541 1 6 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.094 -2.195 19954 3542 1 6 . 1 1 38 38 ASP H H 38 7.557 7.557 7.974 -0.417 19954 3543 1 6 . 1 1 39 39 HIS N N 39 118.142 118.142 117.727 0.415 19954 3544 1 6 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.712 -0.087 19954 3545 1 6 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.076 -1.930 19954 3546 1 6 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.094 -3.588 19954 3547 1 6 . 1 1 39 39 HIS H H 39 7.094 7.094 7.898 -0.804 19954 3548 1 6 . 1 1 40 40 ILE N N 40 121.885 121.885 122.849 -0.964 19954 3549 1 6 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.928 -0.502 19954 3550 1 6 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.699 0.894 19954 3551 1 6 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.226 -1.053 19954 3552 1 6 . 1 1 40 40 ILE H H 40 7.630 7.630 8.278 -0.648 19954 3553 1 6 . 1 1 41 41 ASP N N 41 114.814 114.814 118.524 -3.710 19954 3554 1 6 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.607 -0.421 19954 3555 1 6 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.091 -0.075 19954 3556 1 6 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.322 -3.486 19954 3557 1 6 . 1 1 41 41 ASP H H 41 8.433 8.433 8.534 -0.101 19954 3558 1 6 . 1 1 42 42 ILE N N 42 113.793 113.793 112.401 1.392 19954 3559 1 6 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.583 0.129 19954 3560 1 6 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.301 -2.060 19954 3561 1 6 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.410 -3.514 19954 3562 1 6 . 1 1 42 42 ILE H H 42 7.447 7.447 7.253 0.194 19954 3563 1 6 . 1 1 43 43 GLU N N 43 120.845 120.845 122.977 -2.132 19954 3564 1 6 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.097 -0.051 19954 3565 1 6 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.643 -2.875 19954 3566 1 6 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.806 -4.789 19954 3567 1 6 . 1 1 43 43 GLU H H 43 8.195 8.195 7.959 0.236 19954 3568 1 6 . 1 1 44 44 SER N N 44 113.781 113.781 116.350 -2.569 19954 3569 1 6 . 1 1 44 44 SER HA H 44 3.944 3.944 4.129 -0.185 19954 3570 1 6 . 1 1 44 44 SER CA C 44 59.590 59.590 61.837 -2.247 19954 3571 1 6 . 1 1 44 44 SER CB C 44 59.878 59.878 62.834 -2.956 19954 3572 1 6 . 1 1 44 44 SER H H 44 8.728 8.728 8.569 0.159 19954 3573 1 6 . 1 1 45 45 LYS N N 45 121.258 121.258 120.132 1.126 19954 3574 1 6 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.007 0.072 19954 3575 1 6 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.952 -2.762 19954 3576 1 6 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.438 -0.961 19954 3577 1 6 . 1 1 45 45 LYS H H 45 7.329 7.329 8.297 -0.968 19954 3578 1 6 . 1 1 46 46 ILE N N 46 121.022 121.022 121.676 -0.654 19954 3579 1 6 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.620 -0.257 19954 3580 1 6 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.044 -1.787 19954 3581 1 6 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.639 -0.747 19954 3582 1 6 . 1 1 46 46 ILE H H 46 7.360 7.360 7.919 -0.559 19954 3583 1 6 . 1 1 47 47 ILE N N 47 118.543 118.543 119.492 -0.949 19954 3584 1 6 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.635 0.104 19954 3585 1 6 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.358 -5.701 19954 3586 1 6 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.420 -4.292 19954 3587 1 6 . 1 1 47 47 ILE H H 47 9.378 9.378 8.244 1.134 19954 3588 1 6 . 1 1 48 48 SER N N 48 113.001 113.001 115.236 -2.235 19954 3589 1 6 . 1 1 48 48 SER HA H 48 4.016 4.016 4.195 -0.179 19954 3590 1 6 . 1 1 48 48 SER CA C 48 59.574 59.574 61.934 -2.360 19954 3591 1 6 . 1 1 48 48 SER CB C 48 60.341 60.341 62.988 -2.647 19954 3592 1 6 . 1 1 48 48 SER H H 48 7.382 7.382 8.676 -1.294 19954 3593 1 6 . 1 1 49 49 LEU N N 49 120.059 120.059 123.389 -3.330 19954 3594 1 6 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.192 -0.022 19954 3595 1 6 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.332 -2.666 19954 3596 1 6 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.111 -2.361 19954 3597 1 6 . 1 1 49 49 LEU H H 49 7.477 7.477 8.306 -0.829 19954 3598 1 6 . 1 1 50 50 ILE N N 50 115.429 115.429 117.743 -2.314 19954 3599 1 6 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.500 0.593 19954 3600 1 6 . 1 1 50 50 ILE CA C 50 62.804 62.804 64.939 -2.135 19954 3601 1 6 . 1 1 50 50 ILE H H 50 8.081 8.081 7.868 0.213 19954 3602 1 6 . 1 1 51 51 ILE N N 51 125.106 125.106 121.998 3.108 19954 3603 1 6 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.602 -0.147 19954 3604 1 6 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.042 -1.894 19954 3605 1 6 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.668 -1.949 19954 3606 1 6 . 1 1 51 51 ILE H H 51 8.194 8.194 8.024 0.170 19954 3607 1 6 . 1 1 52 52 ASP N N 52 119.519 119.519 119.366 0.153 19954 3608 1 6 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.367 -0.123 19954 3609 1 6 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.869 -2.885 19954 3610 1 6 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.917 -3.053 19954 3611 1 6 . 1 1 52 52 ASP H H 52 7.850 7.850 8.291 -0.441 19954 3612 1 6 . 1 1 53 53 TYR N N 53 118.402 118.402 120.486 -2.084 19954 3613 1 6 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.234 -0.342 19954 3614 1 6 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.226 -1.481 19954 3615 1 6 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.562 -2.698 19954 3616 1 6 . 1 1 53 53 TYR H H 53 8.260 8.260 8.650 -0.390 19954 3617 1 6 . 1 1 54 54 SER N N 54 111.626 111.626 116.438 -4.812 19954 3618 1 6 . 1 1 54 54 SER HA H 54 4.058 4.058 4.266 -0.208 19954 3619 1 6 . 1 1 54 54 SER CA C 54 58.733 58.733 61.115 -2.382 19954 3620 1 6 . 1 1 54 54 SER CB C 54 62.430 62.430 63.595 -1.165 19954 3621 1 6 . 1 1 54 54 SER H H 54 7.316 7.316 8.060 -0.744 19954 3622 1 6 . 1 1 55 55 ARG N N 55 114.937 114.937 122.168 -7.231 19954 3623 1 6 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.100 0.072 19954 3624 1 6 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.907 -1.634 19954 3625 1 6 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.463 -1.213 19954 3626 1 6 . 1 1 55 55 ARG H H 55 7.901 7.901 7.686 0.215 19954 3627 1 6 . 1 1 56 56 LEU N N 56 116.307 116.307 120.146 -3.839 19954 3628 1 6 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.943 0.260 19954 3629 1 6 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.228 -4.428 19954 3630 1 6 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.027 -1.159 19954 3631 1 6 . 1 1 56 56 LEU H H 56 7.802 7.802 8.018 -0.216 19954 3632 1 6 . 1 1 57 57 CYS N N 57 119.062 119.062 114.416 4.646 19954 3633 1 6 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.473 -0.233 19954 3634 1 6 . 1 1 57 57 CYS CA C 57 53.750 53.750 56.948 -3.198 19954 3635 1 6 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.536 -5.460 19954 3636 1 6 . 1 1 57 57 CYS H H 57 7.717 7.717 7.430 0.287 19954 3637 1 6 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.466 -0.121 19954 3638 1 6 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.747 -2.265 19954 3639 1 6 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.582 -2.422 19954 3640 1 6 . 1 1 59 59 ASP N N 59 123.671 123.671 118.603 5.068 19954 3641 1 6 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.208 -0.291 19954 3642 1 6 . 1 1 59 59 ASP CA C 59 55.814 55.814 57.982 -2.168 19954 3643 1 6 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.598 -2.674 19954 3644 1 6 . 1 1 59 59 ASP H H 59 8.696 8.696 8.747 -0.051 19954 3645 1 6 . 1 1 60 60 SER N N 60 110.600 110.600 116.284 -5.684 19954 3646 1 6 . 1 1 60 60 SER HA H 60 4.103 4.103 4.060 0.043 19954 3647 1 6 . 1 1 60 60 SER CA C 60 57.379 57.379 61.247 -3.868 19954 3648 1 6 . 1 1 60 60 SER CB C 60 61.562 61.562 62.429 -0.868 19954 3649 1 6 . 1 1 60 60 SER H H 60 8.119 8.119 8.492 -0.373 19954 3650 1 6 . 1 1 61 61 HIS N N 61 122.391 122.391 121.919 0.472 19954 3651 1 6 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.436 0.197 19954 3652 1 6 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.736 -4.022 19954 3653 1 6 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.655 0.287 19954 3654 1 6 . 1 1 61 61 HIS H H 61 8.123 8.123 8.049 0.074 19954 3655 1 6 . 1 1 62 62 LYS N N 62 121.665 121.665 119.875 1.790 19954 3656 1 6 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.973 -0.278 19954 3657 1 6 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.925 -4.165 19954 3658 1 6 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.161 -1.865 19954 3659 1 6 . 1 1 62 62 LYS H H 62 7.512 7.512 8.332 -0.820 19954 3660 1 6 . 1 1 63 63 LEU N N 63 117.792 117.792 120.226 -2.434 19954 3661 1 6 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.943 -0.485 19954 3662 1 6 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.681 -1.056 19954 3663 1 6 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.318 -3.269 19954 3664 1 6 . 1 1 63 63 LEU H H 63 8.136 8.136 8.459 -0.323 19954 3665 1 6 . 1 1 64 64 GLY N N 64 105.340 105.340 106.224 -0.884 19954 3666 1 6 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.530 -1.983 19954 3667 1 6 . 1 1 64 64 GLY H H 64 8.616 8.616 7.923 0.693 19954 3668 1 6 . 1 1 65 65 SER N N 65 117.745 117.745 117.701 0.044 19954 3669 1 6 . 1 1 65 65 SER HA H 65 4.265 4.265 3.844 0.421 19954 3670 1 6 . 1 1 65 65 SER CA C 65 58.998 58.998 61.715 -2.717 19954 3671 1 6 . 1 1 65 65 SER CB C 65 67.350 67.350 63.048 4.302 19954 3672 1 6 . 1 1 65 65 SER H H 65 7.894 7.894 8.487 -0.593 19954 3673 1 6 . 1 1 66 66 LEU N N 66 124.161 124.161 122.232 1.929 19954 3674 1 6 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.004 0.297 19954 3675 1 6 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.418 -4.363 19954 3676 1 6 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.993 -3.886 19954 3677 1 6 . 1 1 66 66 LEU H H 66 7.407 7.407 7.977 -0.570 19954 3678 1 6 . 1 1 67 67 TYR N N 67 121.466 121.466 117.986 3.480 19954 3679 1 6 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.265 0.279 19954 3680 1 6 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.295 -6.856 19954 3681 1 6 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.623 -3.442 19954 3682 1 6 . 1 1 67 67 TYR H H 67 8.001 8.001 7.884 0.117 19954 3683 1 6 . 1 1 68 68 ILE N N 68 121.357 121.357 120.207 1.150 19954 3684 1 6 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.520 -0.285 19954 3685 1 6 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.170 -1.788 19954 3686 1 6 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.786 -1.706 19954 3687 1 6 . 1 1 68 68 ILE H H 68 7.811 7.811 7.691 0.120 19954 3688 1 6 . 1 1 69 69 ILE N N 69 117.955 117.955 119.558 -1.603 19954 3689 1 6 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.506 -0.157 19954 3690 1 6 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.736 -2.323 19954 3691 1 6 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.496 -1.577 19954 3692 1 6 . 1 1 69 69 ILE H H 69 6.886 6.886 8.403 -1.517 19954 3693 1 6 . 1 1 70 70 ASP N N 70 118.932 118.932 120.451 -1.519 19954 3694 1 6 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.422 -0.026 19954 3695 1 6 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.924 -1.889 19954 3696 1 6 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.825 0.764 19954 3697 1 6 . 1 1 70 70 ASP H H 70 9.100 9.100 8.473 0.627 19954 3698 1 6 . 1 1 71 71 SER N N 71 110.354 110.354 115.624 -5.270 19954 3699 1 6 . 1 1 71 71 SER HA H 71 4.104 4.104 4.191 -0.087 19954 3700 1 6 . 1 1 71 71 SER CA C 71 58.746 58.746 61.617 -2.871 19954 3701 1 6 . 1 1 71 71 SER CB C 71 61.136 61.136 63.013 -1.877 19954 3702 1 6 . 1 1 71 71 SER H H 71 7.938 7.938 7.757 0.181 19954 3703 1 6 . 1 1 72 72 ILE N N 72 117.565 117.565 121.037 -3.472 19954 3704 1 6 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.496 -0.231 19954 3705 1 6 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.188 -1.539 19954 3706 1 6 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.508 -1.744 19954 3707 1 6 . 1 1 72 72 ILE H H 72 7.912 7.912 7.766 0.146 19954 3708 1 6 . 1 1 73 73 GLY N N 73 107.350 107.350 107.573 -0.223 19954 3709 1 6 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.934 -2.187 19954 3710 1 6 . 1 1 73 73 GLY H H 73 8.847 8.847 8.493 0.354 19954 3711 1 6 . 1 1 74 74 ARG N N 74 118.068 118.068 122.142 -4.074 19954 3712 1 6 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.705 0.245 19954 3713 1 6 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.632 -0.460 19954 3714 1 6 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.020 -2.348 19954 3715 1 6 . 1 1 74 74 ARG H H 74 8.705 8.705 7.995 0.710 19954 3716 1 6 . 1 1 75 75 ALA N N 75 123.817 123.817 121.974 1.843 19954 3717 1 6 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.992 0.224 19954 3718 1 6 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.179 -2.317 19954 3719 1 6 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.457 -3.056 19954 3720 1 6 . 1 1 75 75 ALA H H 75 7.673 7.673 7.851 -0.178 19954 3721 1 6 . 1 1 76 76 TYR N N 76 119.918 119.918 118.792 1.126 19954 3722 1 6 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.127 0.410 19954 3723 1 6 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.034 -4.941 19954 3724 1 6 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.736 -3.933 19954 3725 1 6 . 1 1 76 76 TYR H H 76 8.659 8.659 8.377 0.282 19954 3726 1 6 . 1 1 77 77 LEU N N 77 123.387 123.387 120.304 3.083 19954 3727 1 6 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.693 0.121 19954 3728 1 6 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.737 -3.562 19954 3729 1 6 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.690 -1.816 19954 3730 1 6 . 1 1 77 77 LEU H H 77 8.756 8.756 8.513 0.243 19954 3731 1 6 . 1 1 78 78 ASP N N 78 120.181 120.181 118.356 1.825 19954 3732 1 6 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.240 0.055 19954 3733 1 6 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.676 -2.873 19954 3734 1 6 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.511 -2.688 19954 3735 1 6 . 1 1 78 78 ASP H H 78 7.891 7.891 8.064 -0.173 19954 3736 1 6 . 1 1 79 79 GLU N N 79 120.503 120.503 118.832 1.671 19954 3737 1 6 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.980 0.038 19954 3738 1 6 . 1 1 79 79 GLU CA C 79 56.474 56.474 58.999 -2.525 19954 3739 1 6 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.357 -2.153 19954 3740 1 6 . 1 1 79 79 GLU H H 79 7.502 7.502 7.944 -0.442 19954 3741 1 6 . 1 1 80 80 THR N N 80 111.013 111.013 114.519 -3.506 19954 3742 1 6 . 1 1 80 80 THR HA H 80 4.151 4.151 3.920 0.231 19954 3743 1 6 . 1 1 80 80 THR CA C 80 61.984 61.984 65.820 -3.836 19954 3744 1 6 . 1 1 80 80 THR CB C 80 67.420 67.420 68.924 -1.504 19954 3745 1 6 . 1 1 80 80 THR H H 80 7.883 7.883 7.822 0.061 19954 3746 1 6 . 1 1 81 81 ARG N N 81 120.172 120.172 120.724 -0.552 19954 3747 1 6 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.000 0.079 19954 3748 1 6 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.758 -3.621 19954 3749 1 6 . 1 1 81 81 ARG H H 81 7.471 7.471 8.392 -0.921 19954 3750 1 6 . 1 1 82 82 SER N N 82 113.571 113.571 113.776 -0.205 19954 3751 1 6 . 1 1 82 82 SER HA H 82 4.329 4.329 4.217 0.112 19954 3752 1 6 . 1 1 82 82 SER CA C 82 56.193 56.193 60.595 -4.402 19954 3753 1 6 . 1 1 82 82 SER CB C 82 72.312 72.312 63.418 8.894 19954 3754 1 6 . 1 1 82 82 SER H H 82 7.744 7.744 7.870 -0.126 19954 3755 1 6 . 1 1 83 83 ASN N N 83 119.990 119.990 116.473 3.517 19954 3756 1 6 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.743 -0.001 19954 3757 1 6 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.581 -3.418 19954 3758 1 6 . 1 1 83 83 ASN H H 83 7.792 7.792 7.937 -0.145 19954 3759 1 6 . 1 1 84 84 SER N N 84 116.799 116.799 114.134 2.665 19954 3760 1 6 . 1 1 84 84 SER HA H 84 4.291 4.291 4.611 -0.320 19954 3761 1 6 . 1 1 84 84 SER CA C 84 56.325 56.325 58.081 -1.756 19954 3762 1 6 . 1 1 84 84 SER H H 84 8.352 8.352 8.310 0.042 19954 3763 1 6 . 1 1 85 85 ASN N N 85 120.087 120.087 118.472 1.615 19954 3764 1 6 . 1 1 85 85 ASN HA H 85 4.667 4.667 5.141 -0.474 19954 3765 1 6 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.207 -1.399 19954 3766 1 6 . 1 1 85 85 ASN H H 85 8.362 8.362 8.285 0.077 19954 3767 1 6 . 1 1 86 86 SER N N 86 116.068 116.068 113.635 2.433 19954 3768 1 6 . 1 1 86 86 SER HA H 86 4.362 4.362 4.767 -0.405 19954 3769 1 6 . 1 1 86 86 SER CA C 86 55.853 55.853 57.004 -1.151 19954 3770 1 6 . 1 1 86 86 SER H H 86 8.102 8.102 8.345 -0.243 19954 3771 1 6 . 1 1 87 87 SER N N 87 117.615 117.615 116.908 0.707 19954 3772 1 6 . 1 1 87 87 SER HA H 87 4.302 4.302 4.669 -0.367 19954 3773 1 6 . 1 1 87 87 SER CA C 87 55.608 55.608 57.832 -2.224 19954 3774 1 6 . 1 1 87 87 SER H H 87 8.269 8.269 8.478 -0.209 19954 3775 1 6 . 1 1 88 88 SER N N 88 122.455 122.455 115.883 6.572 19954 3776 1 6 . 1 1 88 88 SER CA C 88 53.710 53.710 59.360 -5.650 19954 3777 1 6 . 1 1 88 88 SER H H 88 8.377 8.377 8.368 0.009 19954 3778 1 6 . 1 1 89 89 ASN N N 89 115.430 115.430 121.635 -6.205 19954 3779 1 6 . 1 1 89 89 ASN CA C 89 58.900 58.900 52.443 6.457 19954 3780 1 6 . 1 1 89 89 ASN H H 89 8.141 8.141 8.362 -0.221 19954 3781 1 6 . 1 1 90 90 LYS N N 90 128.071 128.071 121.375 6.696 19954 3782 1 6 . 1 1 90 90 LYS CA C 90 55.381 55.381 55.679 -0.298 19954 3783 1 6 . 1 1 90 90 LYS H H 90 7.961 7.961 8.280 -0.319 19954 3784 1 6 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.695 -1.290 19954 3785 1 6 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.801 -2.180 19954 3786 1 6 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.623 -3.930 19954 3787 1 6 . 1 1 92 92 GLY N N 92 112.403 112.403 105.190 7.213 19954 3788 1 6 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.355 -3.050 19954 3789 1 6 . 1 1 92 92 GLY H H 92 10.139 10.139 8.637 1.502 19954 3790 1 6 . 1 1 93 93 THR N N 93 106.254 106.254 111.501 -5.247 19954 3791 1 6 . 1 1 93 93 THR HA H 93 4.527 4.527 5.108 -0.581 19954 3792 1 6 . 1 1 93 93 THR CA C 93 56.663 56.663 59.502 -2.839 19954 3793 1 6 . 1 1 93 93 THR CB C 93 70.927 70.927 70.287 0.640 19954 3794 1 6 . 1 1 93 93 THR H H 93 7.180 7.180 7.241 -0.061 19954 3795 1 6 . 1 1 94 94 CYS N N 94 121.465 121.465 119.730 1.735 19954 3796 1 6 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.696 -0.246 19954 3797 1 6 . 1 1 94 94 CYS CA C 94 60.867 60.867 61.567 -0.700 19954 3798 1 6 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.116 -0.869 19954 3799 1 6 . 1 1 94 94 CYS H H 94 8.777 8.777 8.457 0.320 19954 3800 1 6 . 1 1 95 95 ALA N N 95 119.619 119.619 124.018 -4.399 19954 3801 1 6 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.858 -0.016 19954 3802 1 6 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.127 -2.382 19954 3803 1 6 . 1 1 95 95 ALA CB C 95 15.704 15.704 18.177 -2.473 19954 3804 1 6 . 1 1 95 95 ALA H H 95 8.392 8.392 8.359 0.033 19954 3805 1 6 . 1 1 96 96 HIS N N 96 118.081 118.081 118.529 -0.448 19954 3806 1 6 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.228 -0.022 19954 3807 1 6 . 1 1 96 96 HIS CA C 96 57.691 57.691 58.067 -0.376 19954 3808 1 6 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.584 -2.500 19954 3809 1 6 . 1 1 96 96 HIS H H 96 7.631 7.631 8.162 -0.531 19954 3810 1 6 . 1 1 97 97 ALA N N 97 123.652 123.652 122.852 0.800 19954 3811 1 6 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.382 -0.441 19954 3812 1 6 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.262 -2.104 19954 3813 1 6 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.636 -0.972 19954 3814 1 6 . 1 1 97 97 ALA H H 97 7.347 7.347 8.509 -1.162 19954 3815 1 6 . 1 1 98 98 ILE N N 98 115.278 115.278 118.646 -3.368 19954 3816 1 6 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.550 -0.026 19954 3817 1 6 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.806 -2.823 19954 3818 1 6 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.312 -1.645 19954 3819 1 6 . 1 1 98 98 ILE H H 98 7.916 7.916 8.209 -0.293 19954 3820 1 6 . 1 1 99 99 ASN N N 99 120.684 120.684 118.395 2.289 19954 3821 1 6 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.446 -0.042 19954 3822 1 6 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.813 -2.674 19954 3823 1 6 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.516 -2.271 19954 3824 1 6 . 1 1 99 99 ASN H H 99 7.978 7.978 8.110 -0.132 19954 3825 1 6 . 1 1 100 100 THR N N 100 117.791 117.791 117.539 0.252 19954 3826 1 6 . 1 1 100 100 THR HA H 100 3.630 3.630 4.154 -0.524 19954 3827 1 6 . 1 1 100 100 THR CA C 100 63.899 63.899 66.306 -2.407 19954 3828 1 6 . 1 1 100 100 THR CB C 100 66.038 66.038 69.002 -2.964 19954 3829 1 6 . 1 1 100 100 THR H H 100 8.295 8.295 8.166 0.129 19954 3830 1 6 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.906 -0.188 19954 3831 1 6 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.127 -3.702 19954 3832 1 6 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.924 -0.736 19954 3833 1 6 . 1 1 101 101 LEU H H 101 7.825 7.825 8.312 -0.487 19954 3834 1 6 . 1 1 102 102 GLY N N 102 105.767 105.767 103.623 2.144 19954 3835 1 6 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.580 -1.239 19954 3836 1 6 . 1 1 102 102 GLY H H 102 8.591 8.591 8.506 0.085 19954 3837 1 6 . 1 1 103 103 GLU N N 103 116.366 116.366 119.729 -3.363 19954 3838 1 6 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.344 -0.277 19954 3839 1 6 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.446 -2.000 19954 3840 1 6 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.337 -2.960 19954 3841 1 6 . 1 1 103 103 GLU H H 103 7.471 7.471 7.988 -0.517 19954 3842 1 6 . 1 1 104 104 VAL N N 104 108.377 108.377 113.083 -4.706 19954 3843 1 6 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.447 0.309 19954 3844 1 6 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.669 -4.814 19954 3845 1 6 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.755 -2.877 19954 3846 1 6 . 1 1 104 104 VAL H H 104 7.016 7.016 7.816 -0.800 19954 3847 1 6 . 1 1 105 105 ILE N N 105 123.784 123.784 122.892 0.892 19954 3848 1 6 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.585 0.169 19954 3849 1 6 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.625 -6.225 19954 3850 1 6 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.718 -2.307 19954 3851 1 6 . 1 1 105 105 ILE H H 105 7.197 7.197 8.660 -1.463 19954 3852 1 6 . 1 1 106 106 GLN N N 106 121.117 121.117 118.647 2.470 19954 3853 1 6 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.956 -0.301 19954 3854 1 6 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.253 -0.919 19954 3855 1 6 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.381 -0.489 19954 3856 1 6 . 1 1 106 106 GLN H H 106 8.549 8.549 8.601 -0.052 19954 3857 1 6 . 1 1 107 107 GLU N N 107 122.716 122.716 121.524 1.192 19954 3858 1 6 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.092 -0.255 19954 3859 1 6 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.639 -2.051 19954 3860 1 6 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.950 -2.416 19954 3861 1 6 . 1 1 107 107 GLU H H 107 7.762 7.762 8.062 -0.300 19954 3862 1 6 . 1 1 108 108 LEU N N 108 116.615 116.615 121.428 -4.813 19954 3863 1 6 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.008 -0.029 19954 3864 1 6 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.886 -3.092 19954 3865 1 6 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.612 -3.115 19954 3866 1 6 . 1 1 108 108 LEU H H 108 8.016 8.016 7.729 0.287 19954 3867 1 6 . 1 1 109 109 LEU N N 109 118.708 118.708 119.052 -0.344 19954 3868 1 6 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.836 0.004 19954 3869 1 6 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.745 -3.019 19954 3870 1 6 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.700 -0.378 19954 3871 1 6 . 1 1 109 109 LEU H H 109 8.801 8.801 8.484 0.317 19954 3872 1 6 . 1 1 110 110 SER N N 110 114.083 114.083 114.315 -0.232 19954 3873 1 6 . 1 1 110 110 SER HA H 110 3.848 3.848 3.870 -0.022 19954 3874 1 6 . 1 1 110 110 SER CA C 110 60.127 60.127 61.719 -1.592 19954 3875 1 6 . 1 1 110 110 SER CB C 110 60.300 60.300 62.380 -2.080 19954 3876 1 6 . 1 1 110 110 SER H H 110 8.161 8.161 8.288 -0.127 19954 3877 1 6 . 1 1 111 111 ASP N N 111 120.151 120.151 122.751 -2.600 19954 3878 1 6 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.227 0.115 19954 3879 1 6 . 1 1 111 111 ASP CA C 111 54.767 54.767 56.867 -2.100 19954 3880 1 6 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.285 -0.541 19954 3881 1 6 . 1 1 111 111 ASP H H 111 7.614 7.614 7.975 -0.361 19954 3882 1 6 . 1 1 112 112 ALA N N 112 116.927 116.927 122.909 -5.982 19954 3883 1 6 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.977 -0.388 19954 3884 1 6 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.374 -2.651 19954 3885 1 6 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.602 -0.955 19954 3886 1 6 . 1 1 112 112 ALA H H 112 7.662 7.662 8.198 -0.536 19954 3887 1 6 . 1 1 113 113 ILE N N 113 119.039 119.039 117.895 1.144 19954 3888 1 6 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.616 -0.389 19954 3889 1 6 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.724 -1.044 19954 3890 1 6 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.817 -1.658 19954 3891 1 6 . 1 1 113 113 ILE H H 113 8.681 8.681 8.225 0.456 19954 3892 1 6 . 1 1 114 114 ALA N N 114 120.055 120.055 121.357 -1.302 19954 3893 1 6 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.950 -0.043 19954 3894 1 6 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.583 -1.994 19954 3895 1 6 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.763 -2.632 19954 3896 1 6 . 1 1 114 114 ALA H H 114 7.716 7.716 8.082 -0.366 19954 3897 1 6 . 1 1 115 115 LYS N N 115 113.845 113.845 118.667 -4.822 19954 3898 1 6 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.026 0.057 19954 3899 1 6 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.444 -3.489 19954 3900 1 6 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.209 -0.576 19954 3901 1 6 . 1 1 115 115 LYS H H 115 7.248 7.248 8.174 -0.926 19954 3902 1 6 . 1 1 116 116 SER N N 116 115.794 115.794 113.189 2.605 19954 3903 1 6 . 1 1 116 116 SER HA H 116 4.503 4.503 4.201 0.302 19954 3904 1 6 . 1 1 116 116 SER CA C 116 57.848 57.848 60.059 -2.211 19954 3905 1 6 . 1 1 116 116 SER CB C 116 63.380 63.380 63.716 -0.336 19954 3906 1 6 . 1 1 116 116 SER H H 116 7.124 7.124 8.234 -1.110 19954 3907 1 6 . 1 1 117 117 ASN N N 117 119.747 119.747 120.076 -0.329 19954 3908 1 6 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.443 0.079 19954 3909 1 6 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.440 -2.098 19954 3910 1 6 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.779 -4.497 19954 3911 1 6 . 1 1 117 117 ASN H H 117 8.457 8.457 8.293 0.164 19954 3912 1 6 . 1 1 118 118 GLN N N 118 117.591 117.591 119.665 -2.074 19954 3913 1 6 . 1 1 118 118 GLN HA H 118 3.777 3.777 4.105 -0.328 19954 3914 1 6 . 1 1 118 118 GLN CA C 118 57.184 57.184 59.968 -2.784 19954 3915 1 6 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.669 2.872 19954 3916 1 6 . 1 1 118 118 GLN H H 118 8.418 8.418 8.671 -0.253 19954 3917 1 6 . 1 1 119 119 ASP N N 119 119.281 119.281 119.347 -0.066 19954 3918 1 6 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.459 -0.169 19954 3919 1 6 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.994 -3.401 19954 3920 1 6 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.298 -1.395 19954 3921 1 6 . 1 1 119 119 ASP H H 119 7.973 7.973 8.715 -0.742 19954 3922 1 6 . 1 1 120 120 HIS N N 120 118.871 118.871 118.789 0.082 19954 3923 1 6 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.152 0.188 19954 3924 1 6 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.854 -3.096 19954 3925 1 6 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.678 -1.950 19954 3926 1 6 . 1 1 120 120 HIS H H 120 8.702 8.702 8.341 0.361 19954 3927 1 6 . 1 1 121 121 LYS N N 121 120.739 120.739 118.987 1.752 19954 3928 1 6 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.931 -0.163 19954 3929 1 6 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.700 -0.015 19954 3930 1 6 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.481 -0.557 19954 3931 1 6 . 1 1 121 121 LYS H H 121 8.990 8.990 8.751 0.239 19954 3932 1 6 . 1 1 122 122 GLU N N 122 117.889 117.889 119.608 -1.719 19954 3933 1 6 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.035 0.027 19954 3934 1 6 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.501 -3.396 19954 3935 1 6 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.247 -2.555 19954 3936 1 6 . 1 1 122 122 GLU H H 122 7.615 7.615 8.003 -0.388 19954 3937 1 6 . 1 1 123 123 LYS N N 123 119.139 119.139 119.037 0.102 19954 3938 1 6 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.132 -0.173 19954 3939 1 6 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.593 -1.990 19954 3940 1 6 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.922 -1.699 19954 3941 1 6 . 1 1 123 123 LYS H H 123 7.550 7.550 7.661 -0.111 19954 3942 1 6 . 1 1 124 124 ILE N N 124 123.103 123.103 120.009 3.094 19954 3943 1 6 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.555 -0.329 19954 3944 1 6 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.790 -2.106 19954 3945 1 6 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.569 -2.826 19954 3946 1 6 . 1 1 124 124 ILE H H 124 8.356 8.356 7.886 0.470 19954 3947 1 6 . 1 1 125 125 ARG N N 125 122.162 122.162 119.871 2.291 19954 3948 1 6 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.877 -0.771 19954 3949 1 6 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.548 -1.524 19954 3950 1 6 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.061 1.910 19954 3951 1 6 . 1 1 125 125 ARG H H 125 7.988 7.988 7.953 0.035 19954 3952 1 6 . 1 1 126 126 MET N N 126 115.215 115.215 118.942 -3.727 19954 3953 1 6 . 1 1 126 126 MET HA H 126 3.973 3.973 4.117 -0.144 19954 3954 1 6 . 1 1 126 126 MET CA C 126 55.896 55.896 58.915 -3.019 19954 3955 1 6 . 1 1 126 126 MET CB C 126 29.856 29.856 32.440 -2.584 19954 3956 1 6 . 1 1 126 126 MET H H 126 7.455 7.455 7.719 -0.264 19954 3957 1 6 . 1 1 127 127 LEU N N 127 122.351 122.351 120.652 1.699 19954 3958 1 6 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.797 -0.245 19954 3959 1 6 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.829 -3.041 19954 3960 1 6 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.281 -2.003 19954 3961 1 6 . 1 1 127 127 LEU H H 127 7.479 7.479 7.807 -0.328 19954 3962 1 6 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.404 0.479 19954 3963 1 6 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.091 -2.744 19954 3964 1 6 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.272 -2.463 19954 3965 1 6 . 1 1 128 128 LEU H H 128 7.841 7.841 8.041 -0.200 19954 3966 1 6 . 1 1 129 129 ASP N N 129 116.915 116.915 119.589 -2.674 19954 3967 1 6 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.339 0.048 19954 3968 1 6 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.790 -5.191 19954 3969 1 6 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.800 -2.934 19954 3970 1 6 . 1 1 129 129 ASP H H 129 7.034 7.034 7.748 -0.714 19954 3971 1 6 . 1 1 130 130 ILE N N 130 124.155 124.155 120.013 4.142 19954 3972 1 6 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.674 -0.031 19954 3973 1 6 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.679 -2.303 19954 3974 1 6 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.848 -3.064 19954 3975 1 6 . 1 1 130 130 ILE H H 130 7.671 7.671 7.688 -0.017 19954 3976 1 6 . 1 1 131 131 TRP N N 131 125.421 125.421 120.165 5.256 19954 3977 1 6 . 1 1 131 131 TRP H H 131 8.831 8.831 8.099 0.732 19954 3978 1 6 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.754 2.685 19954 3979 1 6 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.282 0.201 19954 3980 1 6 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.105 -4.368 19954 3981 1 6 . 1 1 144 144 ALA N N 144 121.013 121.013 123.631 -2.618 19954 3982 1 6 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.981 0.123 19954 3983 1 6 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.675 -1.997 19954 3984 1 6 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.701 -3.325 19954 3985 1 6 . 1 1 144 144 ALA H H 144 8.212 8.212 8.073 0.139 19954 3986 1 6 . 1 1 145 145 ILE N N 145 117.646 117.646 115.431 2.215 19954 3987 1 6 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.525 0.303 19954 3988 1 6 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.835 -4.491 19954 3989 1 6 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.483 0.658 19954 3990 1 6 . 1 1 145 145 ILE H H 145 7.183 7.183 7.764 -0.581 19954 3991 1 6 . 1 1 146 146 ARG N N 146 121.150 121.150 120.802 0.348 19954 3992 1 6 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.870 0.032 19954 3993 1 6 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.482 -0.017 19954 3994 1 6 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.927 -2.144 19954 3995 1 6 . 1 1 146 146 ARG H H 146 8.477 8.477 7.413 1.064 19954 3996 1 6 . 1 1 147 147 SER N N 147 111.836 111.836 114.886 -3.050 19954 3997 1 6 . 1 1 147 147 SER HA H 147 4.162 4.162 4.326 -0.164 19954 3998 1 6 . 1 1 147 147 SER CA C 147 58.642 58.642 57.923 0.719 19954 3999 1 6 . 1 1 147 147 SER CB C 147 60.972 60.972 63.097 -2.125 19954 4000 1 6 . 1 1 147 147 SER H H 147 8.187 8.187 7.534 0.653 19954 4001 1 6 . 1 1 148 148 LYS N N 148 118.675 118.675 128.981 -10.306 19954 4002 1 6 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.942 0.196 19954 4003 1 6 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.169 -3.152 19954 4004 1 6 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.911 -0.131 19954 4005 1 6 . 1 1 148 148 LYS H H 148 7.837 7.837 8.758 -0.921 19954 4006 1 6 . 1 1 149 149 CYS N N 149 113.256 113.256 118.732 -5.476 19954 4007 1 6 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.110 0.482 19954 4008 1 6 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.468 -10.456 19954 4009 1 6 . 1 1 149 149 CYS H H 149 8.267 8.267 7.687 0.580 19954 4010 1 6 . 1 1 150 150 PHE N N 150 116.623 116.623 120.490 -3.867 19954 4011 1 6 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.079 0.865 19954 4012 1 6 . 1 1 150 150 PHE CA C 150 54.409 54.409 60.944 -6.535 19954 4013 1 6 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.474 -0.421 19954 4014 1 6 . 1 1 150 150 PHE H H 150 7.373 7.373 8.515 -1.142 19954 4015 1 6 . 1 1 151 151 ALA N N 151 122.583 122.583 120.976 1.607 19954 4016 1 6 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.862 0.317 19954 4017 1 6 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.337 -4.696 19954 4018 1 6 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.469 -2.530 19954 4019 1 6 . 1 1 151 151 ALA H H 151 7.710 7.710 8.589 -0.879 19954 4020 1 6 . 1 1 152 152 MET N N 152 118.250 118.250 117.256 0.994 19954 4021 1 6 . 1 1 152 152 MET HA H 152 4.262 4.262 4.180 0.082 19954 4022 1 6 . 1 1 152 152 MET CA C 152 53.482 53.482 58.445 -4.963 19954 4023 1 6 . 1 1 152 152 MET CB C 152 30.488 30.488 31.615 -1.127 19954 4024 1 6 . 1 1 152 152 MET H H 152 8.086 8.086 8.101 -0.015 19954 4025 1 6 . 1 1 153 153 ASP N N 153 121.780 121.780 118.927 2.853 19954 4026 1 6 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.555 -0.077 19954 4027 1 6 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.456 -4.830 19954 4028 1 6 . 1 1 153 153 ASP CB C 153 38.460 38.460 40.992 -2.532 19954 4029 1 6 . 1 1 153 153 ASP H H 153 8.299 8.299 8.185 0.114 19954 4030 1 6 . 1 1 154 154 LEU N N 154 122.337 122.337 117.260 5.077 19954 4031 1 6 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.046 0.062 19954 4032 1 6 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.522 -3.669 19954 4033 1 6 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.113 -1.397 19954 4034 1 6 . 1 1 154 154 LEU H H 154 8.072 8.072 7.684 0.388 19954 4035 1 6 . 1 1 155 155 GLU N N 155 119.995 119.995 117.310 2.685 19954 4036 1 6 . 1 1 155 155 GLU HA H 155 3.995 3.995 3.734 0.261 19954 4037 1 6 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.185 -2.886 19954 4038 1 6 . 1 1 155 155 GLU CB C 155 27.634 27.634 30.397 -2.763 19954 4039 1 6 . 1 1 155 155 GLU H H 155 8.151 8.151 7.876 0.275 19954 4040 1 6 . 1 1 156 156 HIS N N 156 118.980 118.980 110.456 8.524 19954 4041 1 6 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.298 -0.078 19954 4042 1 6 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.741 -3.298 19954 4043 1 6 . 1 1 156 156 HIS H H 156 8.007 8.007 8.515 -0.508 19954 4044 1 6 . 1 1 157 157 HIS N N 157 121.956 121.956 113.762 8.194 19954 4045 1 6 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.620 -0.209 19954 4046 1 6 . 1 1 157 157 HIS CA C 157 53.252 53.252 54.933 -1.681 19954 4047 1 6 . 1 1 157 157 HIS H H 157 8.580 8.580 7.863 0.717 19954 4048 1 6 . 1 1 158 158 HIS N N 158 125.474 125.474 118.422 7.052 19954 4049 1 6 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.065 -0.437 19954 4050 1 6 . 1 1 158 158 HIS H H 158 7.906 7.906 7.637 0.269 19954 4051 1 7 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.674 -0.359 19954 4052 1 7 . 1 1 4 4 ASP CA C 4 51.714 51.714 53.437 -1.723 19954 4053 1 7 . 1 1 5 5 ASP N N 5 120.880 120.880 122.988 -2.108 19954 4054 1 7 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.380 0.074 19954 4055 1 7 . 1 1 5 5 ASP CA C 5 52.575 52.575 55.071 -2.496 19954 4056 1 7 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.217 -2.493 19954 4057 1 7 . 1 1 5 5 ASP H H 5 8.277 8.277 8.824 -0.547 19954 4058 1 7 . 1 1 6 6 ASP N N 6 120.876 120.876 118.483 2.393 19954 4059 1 7 . 1 1 6 6 ASP HA H 6 4.482 4.482 5.001 -0.519 19954 4060 1 7 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.072 -0.110 19954 4061 1 7 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.611 -4.053 19954 4062 1 7 . 1 1 6 6 ASP H H 6 8.497 8.497 8.162 0.335 19954 4063 1 7 . 1 1 7 7 PHE N N 7 122.789 122.789 120.415 2.374 19954 4064 1 7 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.310 -0.201 19954 4065 1 7 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.807 -1.937 19954 4066 1 7 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.564 -2.897 19954 4067 1 7 . 1 1 7 7 PHE H H 7 8.337 8.337 8.783 -0.446 19954 4068 1 7 . 1 1 8 8 GLN N N 8 116.255 116.255 119.421 -3.166 19954 4069 1 7 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.812 -0.063 19954 4070 1 7 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.550 -3.824 19954 4071 1 7 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.030 -3.242 19954 4072 1 7 . 1 1 8 8 GLN H H 8 8.488 8.488 8.698 -0.210 19954 4073 1 7 . 1 1 9 9 ASN N N 9 118.242 118.242 118.532 -0.290 19954 4074 1 7 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.337 -0.023 19954 4075 1 7 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.395 -2.820 19954 4076 1 7 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.512 -2.259 19954 4077 1 7 . 1 1 9 9 ASN H H 9 7.801 7.801 7.818 -0.017 19954 4078 1 7 . 1 1 10 10 PHE N N 10 124.982 124.982 121.183 3.799 19954 4079 1 7 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.747 -0.293 19954 4080 1 7 . 1 1 10 10 PHE CA C 10 58.994 58.994 60.855 -1.861 19954 4081 1 7 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.204 -3.169 19954 4082 1 7 . 1 1 10 10 PHE H H 10 6.924 6.924 6.891 0.033 19954 4083 1 7 . 1 1 11 11 VAL N N 11 118.513 118.513 118.492 0.021 19954 4084 1 7 . 1 1 11 11 VAL HA H 11 2.834 2.834 2.948 -0.114 19954 4085 1 7 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.446 -2.215 19954 4086 1 7 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.227 -1.149 19954 4087 1 7 . 1 1 11 11 VAL H H 11 7.448 7.448 7.816 -0.368 19954 4088 1 7 . 1 1 12 12 ALA N N 12 119.214 119.214 121.117 -1.903 19954 4089 1 7 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.803 0.081 19954 4090 1 7 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.678 -3.252 19954 4091 1 7 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.917 -2.268 19954 4092 1 7 . 1 1 12 12 ALA H H 12 8.028 8.028 8.437 -0.408 19954 4093 1 7 . 1 1 13 13 THR N N 13 116.435 116.435 115.912 0.523 19954 4094 1 7 . 1 1 13 13 THR HA H 13 3.624 3.624 3.871 -0.247 19954 4095 1 7 . 1 1 13 13 THR CA C 13 64.041 64.041 66.339 -2.298 19954 4096 1 7 . 1 1 13 13 THR CB C 13 65.118 65.118 68.353 -3.235 19954 4097 1 7 . 1 1 13 13 THR H H 13 7.638 7.638 7.716 -0.078 19954 4098 1 7 . 1 1 14 14 LEU N N 14 126.284 126.284 121.821 4.463 19954 4099 1 7 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.684 -0.054 19954 4100 1 7 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.931 -2.444 19954 4101 1 7 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.219 -2.367 19954 4102 1 7 . 1 1 14 14 LEU H H 14 7.975 7.975 7.538 0.437 19954 4103 1 7 . 1 1 15 15 GLU N N 15 116.145 116.145 118.811 -2.666 19954 4104 1 7 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.803 0.014 19954 4105 1 7 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.880 -3.486 19954 4106 1 7 . 1 1 15 15 GLU CB C 15 26.908 26.908 28.995 -2.087 19954 4107 1 7 . 1 1 15 15 GLU H H 15 8.503 8.503 8.556 -0.053 19954 4108 1 7 . 1 1 16 16 SER N N 16 114.452 114.452 114.339 0.113 19954 4109 1 7 . 1 1 16 16 SER HA H 16 4.196 4.196 4.154 0.043 19954 4110 1 7 . 1 1 16 16 SER CA C 16 58.515 58.515 60.958 -2.443 19954 4111 1 7 . 1 1 16 16 SER CB C 16 60.155 60.155 63.052 -2.897 19954 4112 1 7 . 1 1 16 16 SER H H 16 7.643 7.643 7.992 -0.349 19954 4113 1 7 . 1 1 17 17 PHE N N 17 124.020 124.020 121.802 2.218 19954 4114 1 7 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.165 -0.341 19954 4115 1 7 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.802 -1.467 19954 4116 1 7 . 1 1 17 17 PHE CB C 17 36.854 36.854 39.041 -2.187 19954 4117 1 7 . 1 1 17 17 PHE H H 17 8.082 8.082 7.886 0.196 19954 4118 1 7 . 1 1 18 18 LYS N N 18 116.570 116.570 117.955 -1.385 19954 4119 1 7 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.167 -0.220 19954 4120 1 7 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.314 -2.459 19954 4121 1 7 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.819 -2.367 19954 4122 1 7 . 1 1 18 18 LYS H H 18 7.849 7.849 7.991 -0.142 19954 4123 1 7 . 1 1 19 19 ASP N N 19 116.332 116.332 119.442 -3.110 19954 4124 1 7 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.503 0.036 19954 4125 1 7 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.925 -3.768 19954 4126 1 7 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.433 -2.730 19954 4127 1 7 . 1 1 19 19 ASP H H 19 7.276 7.276 7.723 -0.447 19954 4128 1 7 . 1 1 20 20 LEU N N 20 119.769 119.769 119.544 0.225 19954 4129 1 7 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.349 0.050 19954 4130 1 7 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.604 -3.605 19954 4131 1 7 . 1 1 20 20 LEU H H 20 7.226 7.226 7.570 -0.344 19954 4132 1 7 . 1 1 21 21 LYS N N 21 126.041 126.041 120.800 5.241 19954 4133 1 7 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.494 -0.431 19954 4134 1 7 . 1 1 21 21 LYS CA C 21 56.849 56.849 55.403 1.446 19954 4135 1 7 . 1 1 21 21 LYS CB C 21 31.634 31.634 30.173 1.461 19954 4136 1 7 . 1 1 21 21 LYS H H 21 9.203 9.203 8.546 0.657 19954 4137 1 7 . 1 1 22 22 SER N N 22 109.885 109.885 113.758 -3.873 19954 4138 1 7 . 1 1 22 22 SER HA H 22 4.322 4.322 4.182 0.140 19954 4139 1 7 . 1 1 22 22 SER CA C 22 55.254 55.254 58.632 -3.378 19954 4140 1 7 . 1 1 22 22 SER CB C 22 62.254 62.254 62.156 0.098 19954 4141 1 7 . 1 1 22 22 SER H H 22 8.607 8.607 8.041 0.566 19954 4142 1 7 . 1 1 23 23 GLY N N 23 106.286 106.286 109.428 -3.142 19954 4143 1 7 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.976 -0.996 19954 4144 1 7 . 1 1 23 23 GLY H H 23 6.619 6.619 8.592 -1.973 19954 4145 1 7 . 1 1 24 24 ILE N N 24 118.883 118.883 118.988 -0.105 19954 4146 1 7 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.010 -0.026 19954 4147 1 7 . 1 1 24 24 ILE CA C 24 59.167 59.167 61.063 -1.896 19954 4148 1 7 . 1 1 24 24 ILE CB C 24 39.646 39.646 36.765 2.881 19954 4149 1 7 . 1 1 24 24 ILE H H 24 7.929 7.929 8.248 -0.319 19954 4150 1 7 . 1 1 25 25 SER N N 25 117.952 117.952 118.350 -0.398 19954 4151 1 7 . 1 1 25 25 SER HA H 25 5.093 5.093 4.532 0.561 19954 4152 1 7 . 1 1 25 25 SER CA C 25 52.534 52.534 57.742 -5.208 19954 4153 1 7 . 1 1 25 25 SER CB C 25 61.938 61.938 64.275 -2.337 19954 4154 1 7 . 1 1 25 25 SER H H 25 5.660 5.660 7.660 -2.000 19954 4155 1 7 . 1 1 26 26 GLY N N 26 120.266 120.266 114.063 6.203 19954 4156 1 7 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.433 -1.946 19954 4157 1 7 . 1 1 26 26 GLY H H 26 8.596 8.596 8.915 -0.319 19954 4158 1 7 . 1 1 27 27 SER N N 27 120.500 120.500 116.663 3.837 19954 4159 1 7 . 1 1 27 27 SER HA H 27 4.410 4.410 4.174 0.236 19954 4160 1 7 . 1 1 27 27 SER CA C 27 58.793 58.793 61.394 -2.601 19954 4161 1 7 . 1 1 27 27 SER CB C 27 62.224 62.224 62.936 -0.712 19954 4162 1 7 . 1 1 27 27 SER H H 27 9.846 9.846 8.219 1.627 19954 4163 1 7 . 1 1 28 28 ARG N N 28 123.779 123.779 121.003 2.776 19954 4164 1 7 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.971 -0.086 19954 4165 1 7 . 1 1 28 28 ARG CA C 28 56.840 56.840 58.886 -2.046 19954 4166 1 7 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.308 -1.194 19954 4167 1 7 . 1 1 28 28 ARG H H 28 8.034 8.034 7.418 0.616 19954 4168 1 7 . 1 1 29 29 ILE N N 29 120.700 120.700 120.289 0.411 19954 4169 1 7 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.682 -0.210 19954 4170 1 7 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.605 -0.976 19954 4171 1 7 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.335 -1.667 19954 4172 1 7 . 1 1 29 29 ILE H H 29 8.374 8.374 7.557 0.817 19954 4173 1 7 . 1 1 30 30 LYS N N 30 124.209 124.209 120.356 3.853 19954 4174 1 7 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.937 0.091 19954 4175 1 7 . 1 1 30 30 LYS CA C 30 57.401 57.401 59.963 -2.562 19954 4176 1 7 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.070 -2.790 19954 4177 1 7 . 1 1 30 30 LYS H H 30 8.231 8.231 8.097 0.134 19954 4178 1 7 . 1 1 31 31 LYS N N 31 120.422 120.422 119.596 0.826 19954 4179 1 7 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.097 -0.059 19954 4180 1 7 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.251 -1.633 19954 4181 1 7 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.081 -1.913 19954 4182 1 7 . 1 1 31 31 LYS H H 31 7.449 7.449 7.880 -0.431 19954 4183 1 7 . 1 1 32 32 LEU N N 32 118.348 118.348 119.612 -1.264 19954 4184 1 7 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.211 -0.150 19954 4185 1 7 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.839 -3.429 19954 4186 1 7 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.566 -1.784 19954 4187 1 7 . 1 1 32 32 LEU H H 32 8.186 8.186 8.139 0.047 19954 4188 1 7 . 1 1 33 33 THR N N 33 116.500 116.500 115.175 1.325 19954 4189 1 7 . 1 1 33 33 THR HA H 33 3.662 3.662 3.942 -0.280 19954 4190 1 7 . 1 1 33 33 THR CA C 33 64.726 64.726 67.663 -2.938 19954 4191 1 7 . 1 1 33 33 THR CB C 33 66.097 66.097 68.493 -2.396 19954 4192 1 7 . 1 1 33 33 THR H H 33 8.066 8.066 8.645 -0.579 19954 4193 1 7 . 1 1 34 34 THR N N 34 119.029 119.029 117.518 1.511 19954 4194 1 7 . 1 1 34 34 THR HA H 34 3.759 3.759 3.960 -0.201 19954 4195 1 7 . 1 1 34 34 THR CA C 34 64.291 64.291 66.137 -1.846 19954 4196 1 7 . 1 1 34 34 THR CB C 34 66.733 66.733 68.848 -2.115 19954 4197 1 7 . 1 1 34 34 THR H H 34 8.685 8.685 8.034 0.651 19954 4198 1 7 . 1 1 35 35 TYR N N 35 120.298 120.298 122.946 -2.648 19954 4199 1 7 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.142 0.060 19954 4200 1 7 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.982 -1.828 19954 4201 1 7 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.173 -2.163 19954 4202 1 7 . 1 1 35 35 TYR H H 35 7.663 7.663 8.253 -0.590 19954 4203 1 7 . 1 1 36 36 ALA N N 36 121.480 121.480 122.012 -0.532 19954 4204 1 7 . 1 1 36 36 ALA HA H 36 3.912 3.912 4.006 -0.094 19954 4205 1 7 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.053 -1.917 19954 4206 1 7 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.349 -3.477 19954 4207 1 7 . 1 1 36 36 ALA H H 36 8.543 8.543 8.490 0.053 19954 4208 1 7 . 1 1 37 37 LEU N N 37 120.767 120.767 119.271 1.496 19954 4209 1 7 . 1 1 37 37 LEU HA H 37 4.103 4.103 4.007 0.096 19954 4210 1 7 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.462 -3.623 19954 4211 1 7 . 1 1 37 37 LEU CB C 37 40.182 40.182 42.150 -1.968 19954 4212 1 7 . 1 1 37 37 LEU H H 37 8.351 8.351 8.235 0.116 19954 4213 1 7 . 1 1 38 38 ASP N N 38 119.008 119.008 116.829 2.179 19954 4214 1 7 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.318 0.138 19954 4215 1 7 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.227 -4.087 19954 4216 1 7 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.214 -2.315 19954 4217 1 7 . 1 1 38 38 ASP H H 38 7.557 7.557 8.057 -0.500 19954 4218 1 7 . 1 1 39 39 HIS N N 39 118.142 118.142 117.652 0.490 19954 4219 1 7 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.618 0.007 19954 4220 1 7 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.676 -2.530 19954 4221 1 7 . 1 1 39 39 HIS CB C 39 25.506 25.506 30.213 -4.707 19954 4222 1 7 . 1 1 39 39 HIS H H 39 7.094 7.094 7.598 -0.504 19954 4223 1 7 . 1 1 40 40 ILE N N 40 121.885 121.885 124.854 -2.969 19954 4224 1 7 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.970 -0.544 19954 4225 1 7 . 1 1 40 40 ILE CA C 40 62.593 62.593 60.454 2.139 19954 4226 1 7 . 1 1 40 40 ILE CB C 40 36.173 36.173 36.902 -0.729 19954 4227 1 7 . 1 1 40 40 ILE H H 40 7.630 7.630 8.486 -0.856 19954 4228 1 7 . 1 1 41 41 ASP N N 41 114.814 114.814 118.958 -4.144 19954 4229 1 7 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.778 -0.592 19954 4230 1 7 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.045 -0.029 19954 4231 1 7 . 1 1 41 41 ASP CB C 41 36.836 36.836 41.115 -4.279 19954 4232 1 7 . 1 1 41 41 ASP H H 41 8.433 8.433 8.721 -0.288 19954 4233 1 7 . 1 1 42 42 ILE N N 42 113.793 113.793 113.004 0.789 19954 4234 1 7 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.398 0.314 19954 4235 1 7 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.102 -1.861 19954 4236 1 7 . 1 1 42 42 ILE CB C 42 34.896 34.896 37.744 -2.848 19954 4237 1 7 . 1 1 42 42 ILE H H 42 7.447 7.447 7.153 0.294 19954 4238 1 7 . 1 1 43 43 GLU N N 43 120.845 120.845 122.708 -1.863 19954 4239 1 7 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.122 -0.076 19954 4240 1 7 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.561 -2.793 19954 4241 1 7 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.756 -4.739 19954 4242 1 7 . 1 1 43 43 GLU H H 43 8.195 8.195 8.161 0.034 19954 4243 1 7 . 1 1 44 44 SER N N 44 113.781 113.781 116.398 -2.617 19954 4244 1 7 . 1 1 44 44 SER HA H 44 3.944 3.944 4.170 -0.226 19954 4245 1 7 . 1 1 44 44 SER CA C 44 59.590 59.590 61.901 -2.311 19954 4246 1 7 . 1 1 44 44 SER CB C 44 59.878 59.878 62.802 -2.924 19954 4247 1 7 . 1 1 44 44 SER H H 44 8.728 8.728 8.519 0.209 19954 4248 1 7 . 1 1 45 45 LYS N N 45 121.258 121.258 120.033 1.225 19954 4249 1 7 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.009 0.070 19954 4250 1 7 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.973 -2.783 19954 4251 1 7 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.466 -0.989 19954 4252 1 7 . 1 1 45 45 LYS H H 45 7.329 7.329 8.344 -1.015 19954 4253 1 7 . 1 1 46 46 ILE N N 46 121.022 121.022 121.561 -0.539 19954 4254 1 7 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.823 -0.460 19954 4255 1 7 . 1 1 46 46 ILE CA C 46 63.257 63.257 64.983 -1.726 19954 4256 1 7 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.623 -0.731 19954 4257 1 7 . 1 1 46 46 ILE H H 46 7.360 7.360 7.836 -0.476 19954 4258 1 7 . 1 1 47 47 ILE N N 47 118.543 118.543 119.496 -0.953 19954 4259 1 7 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.630 0.109 19954 4260 1 7 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.350 -5.692 19954 4261 1 7 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.296 -4.168 19954 4262 1 7 . 1 1 47 47 ILE H H 47 9.378 9.378 8.301 1.077 19954 4263 1 7 . 1 1 48 48 SER N N 48 113.001 113.001 115.018 -2.017 19954 4264 1 7 . 1 1 48 48 SER HA H 48 4.016 4.016 4.194 -0.178 19954 4265 1 7 . 1 1 48 48 SER CA C 48 59.574 59.574 61.953 -2.379 19954 4266 1 7 . 1 1 48 48 SER CB C 48 60.341 60.341 63.003 -2.662 19954 4267 1 7 . 1 1 48 48 SER H H 48 7.382 7.382 8.596 -1.214 19954 4268 1 7 . 1 1 49 49 LEU N N 49 120.059 120.059 123.349 -3.290 19954 4269 1 7 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.167 0.003 19954 4270 1 7 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.353 -2.687 19954 4271 1 7 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.092 -2.342 19954 4272 1 7 . 1 1 49 49 LEU H H 49 7.477 7.477 8.311 -0.834 19954 4273 1 7 . 1 1 50 50 ILE N N 50 115.429 115.429 117.501 -2.072 19954 4274 1 7 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.494 0.599 19954 4275 1 7 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.030 -2.226 19954 4276 1 7 . 1 1 50 50 ILE H H 50 8.081 8.081 7.871 0.210 19954 4277 1 7 . 1 1 51 51 ILE N N 51 125.106 125.106 122.227 2.879 19954 4278 1 7 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.590 -0.135 19954 4279 1 7 . 1 1 51 51 ILE CA C 51 64.148 64.148 65.967 -1.819 19954 4280 1 7 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.753 -2.034 19954 4281 1 7 . 1 1 51 51 ILE H H 51 8.194 8.194 8.194 -0.000 19954 4282 1 7 . 1 1 52 52 ASP N N 52 119.519 119.519 119.736 -0.217 19954 4283 1 7 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.290 -0.046 19954 4284 1 7 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.977 -2.993 19954 4285 1 7 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.843 -2.978 19954 4286 1 7 . 1 1 52 52 ASP H H 52 7.850 7.850 8.318 -0.468 19954 4287 1 7 . 1 1 53 53 TYR N N 53 118.402 118.402 120.417 -2.015 19954 4288 1 7 . 1 1 53 53 TYR HA H 53 3.892 3.892 3.995 -0.103 19954 4289 1 7 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.145 -1.399 19954 4290 1 7 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.389 -2.525 19954 4291 1 7 . 1 1 53 53 TYR H H 53 8.260 8.260 8.753 -0.493 19954 4292 1 7 . 1 1 54 54 SER N N 54 111.626 111.626 116.556 -4.930 19954 4293 1 7 . 1 1 54 54 SER HA H 54 4.058 4.058 3.869 0.189 19954 4294 1 7 . 1 1 54 54 SER CA C 54 58.733 58.733 61.187 -2.454 19954 4295 1 7 . 1 1 54 54 SER CB C 54 62.430 62.430 63.549 -1.119 19954 4296 1 7 . 1 1 54 54 SER H H 54 7.316 7.316 7.989 -0.673 19954 4297 1 7 . 1 1 55 55 ARG N N 55 114.937 114.937 121.580 -6.643 19954 4298 1 7 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.558 0.614 19954 4299 1 7 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.912 -1.639 19954 4300 1 7 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.650 -1.400 19954 4301 1 7 . 1 1 55 55 ARG H H 55 7.901 7.901 7.478 0.423 19954 4302 1 7 . 1 1 56 56 LEU N N 56 116.307 116.307 119.302 -2.995 19954 4303 1 7 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.008 0.195 19954 4304 1 7 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.859 -4.059 19954 4305 1 7 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.177 -1.309 19954 4306 1 7 . 1 1 56 56 LEU H H 56 7.802 7.802 7.763 0.039 19954 4307 1 7 . 1 1 57 57 CYS N N 57 119.062 119.062 116.674 2.388 19954 4308 1 7 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.143 0.097 19954 4309 1 7 . 1 1 57 57 CYS CA C 57 53.750 53.750 60.257 -6.507 19954 4310 1 7 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.643 -4.567 19954 4311 1 7 . 1 1 57 57 CYS H H 57 7.717 7.717 7.474 0.243 19954 4312 1 7 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.419 -0.074 19954 4313 1 7 . 1 1 58 58 PRO CA C 58 60.482 60.482 63.067 -2.585 19954 4314 1 7 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.374 -2.214 19954 4315 1 7 . 1 1 59 59 ASP N N 59 123.671 123.671 118.194 5.477 19954 4316 1 7 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.174 -0.257 19954 4317 1 7 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.091 -2.277 19954 4318 1 7 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.989 -3.065 19954 4319 1 7 . 1 1 59 59 ASP H H 59 8.696 8.696 8.721 -0.025 19954 4320 1 7 . 1 1 60 60 SER N N 60 110.600 110.600 117.404 -6.804 19954 4321 1 7 . 1 1 60 60 SER HA H 60 4.103 4.103 3.964 0.139 19954 4322 1 7 . 1 1 60 60 SER CA C 60 57.379 57.379 61.027 -3.648 19954 4323 1 7 . 1 1 60 60 SER CB C 60 61.562 61.562 62.781 -1.219 19954 4324 1 7 . 1 1 60 60 SER H H 60 8.119 8.119 8.224 -0.105 19954 4325 1 7 . 1 1 61 61 HIS N N 61 122.391 122.391 118.962 3.429 19954 4326 1 7 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.115 0.518 19954 4327 1 7 . 1 1 61 61 HIS CA C 61 54.714 54.714 59.076 -4.362 19954 4328 1 7 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.195 0.747 19954 4329 1 7 . 1 1 61 61 HIS H H 61 8.123 8.123 8.540 -0.417 19954 4330 1 7 . 1 1 62 62 LYS N N 62 121.665 121.665 119.684 1.981 19954 4331 1 7 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.299 0.396 19954 4332 1 7 . 1 1 62 62 LYS CA C 62 55.760 55.760 58.954 -3.194 19954 4333 1 7 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.620 -1.325 19954 4334 1 7 . 1 1 62 62 LYS H H 62 7.512 7.512 6.948 0.564 19954 4335 1 7 . 1 1 63 63 LEU N N 63 117.792 117.792 119.787 -1.995 19954 4336 1 7 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.663 -0.205 19954 4337 1 7 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.260 -0.635 19954 4338 1 7 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.102 -3.053 19954 4339 1 7 . 1 1 63 63 LEU H H 63 8.136 8.136 7.118 1.018 19954 4340 1 7 . 1 1 64 64 GLY N N 64 105.340 105.340 105.804 -0.464 19954 4341 1 7 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.526 -1.979 19954 4342 1 7 . 1 1 64 64 GLY H H 64 8.616 8.616 8.182 0.434 19954 4343 1 7 . 1 1 65 65 SER N N 65 117.745 117.745 117.795 -0.050 19954 4344 1 7 . 1 1 65 65 SER HA H 65 4.265 4.265 4.184 0.081 19954 4345 1 7 . 1 1 65 65 SER CA C 65 58.998 58.998 61.432 -2.434 19954 4346 1 7 . 1 1 65 65 SER CB C 65 67.350 67.350 63.050 4.300 19954 4347 1 7 . 1 1 65 65 SER H H 65 7.894 7.894 7.893 0.001 19954 4348 1 7 . 1 1 66 66 LEU N N 66 124.161 124.161 121.576 2.585 19954 4349 1 7 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.959 0.342 19954 4350 1 7 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.608 -4.553 19954 4351 1 7 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.797 -3.690 19954 4352 1 7 . 1 1 66 66 LEU H H 66 7.407 7.407 7.560 -0.153 19954 4353 1 7 . 1 1 67 67 TYR N N 67 121.466 121.466 117.005 4.461 19954 4354 1 7 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.306 0.238 19954 4355 1 7 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.200 -6.761 19954 4356 1 7 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.423 -3.243 19954 4357 1 7 . 1 1 67 67 TYR H H 67 8.001 8.001 7.646 0.354 19954 4358 1 7 . 1 1 68 68 ILE N N 68 121.357 121.357 120.674 0.683 19954 4359 1 7 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.677 -0.442 19954 4360 1 7 . 1 1 68 68 ILE CA C 68 64.382 64.382 65.731 -1.349 19954 4361 1 7 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.956 -1.876 19954 4362 1 7 . 1 1 68 68 ILE H H 68 7.811 7.811 8.121 -0.310 19954 4363 1 7 . 1 1 69 69 ILE N N 69 117.955 117.955 119.520 -1.565 19954 4364 1 7 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.548 -0.199 19954 4365 1 7 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.960 -2.547 19954 4366 1 7 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.606 -1.687 19954 4367 1 7 . 1 1 69 69 ILE H H 69 6.886 6.886 8.504 -1.618 19954 4368 1 7 . 1 1 70 70 ASP N N 70 118.932 118.932 119.958 -1.026 19954 4369 1 7 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.067 0.329 19954 4370 1 7 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.851 -1.816 19954 4371 1 7 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.132 0.457 19954 4372 1 7 . 1 1 70 70 ASP H H 70 9.100 9.100 8.344 0.756 19954 4373 1 7 . 1 1 71 71 SER N N 71 110.354 110.354 116.320 -5.966 19954 4374 1 7 . 1 1 71 71 SER HA H 71 4.104 4.104 4.097 0.007 19954 4375 1 7 . 1 1 71 71 SER CA C 71 58.746 58.746 62.071 -3.325 19954 4376 1 7 . 1 1 71 71 SER CB C 71 61.136 61.136 62.885 -1.749 19954 4377 1 7 . 1 1 71 71 SER H H 71 7.938 7.938 8.068 -0.130 19954 4378 1 7 . 1 1 72 72 ILE N N 72 117.565 117.565 122.494 -4.929 19954 4379 1 7 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.540 -0.275 19954 4380 1 7 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.573 -0.924 19954 4381 1 7 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.155 -1.391 19954 4382 1 7 . 1 1 72 72 ILE H H 72 7.912 7.912 7.848 0.064 19954 4383 1 7 . 1 1 73 73 GLY N N 73 107.350 107.350 107.475 -0.125 19954 4384 1 7 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.863 -2.116 19954 4385 1 7 . 1 1 73 73 GLY H H 73 8.847 8.847 8.369 0.478 19954 4386 1 7 . 1 1 74 74 ARG N N 74 118.068 118.068 122.690 -4.622 19954 4387 1 7 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.772 0.178 19954 4388 1 7 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.407 -0.235 19954 4389 1 7 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.030 -2.358 19954 4390 1 7 . 1 1 74 74 ARG H H 74 8.705 8.705 8.059 0.646 19954 4391 1 7 . 1 1 75 75 ALA N N 75 123.817 123.817 122.067 1.750 19954 4392 1 7 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.991 0.225 19954 4393 1 7 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.239 -2.377 19954 4394 1 7 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.439 -3.038 19954 4395 1 7 . 1 1 75 75 ALA H H 75 7.673 7.673 7.931 -0.258 19954 4396 1 7 . 1 1 76 76 TYR N N 76 119.918 119.918 119.591 0.327 19954 4397 1 7 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.222 0.315 19954 4398 1 7 . 1 1 76 76 TYR CA C 76 55.093 55.093 59.810 -4.718 19954 4399 1 7 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.399 -3.596 19954 4400 1 7 . 1 1 76 76 TYR H H 76 8.659 8.659 8.532 0.127 19954 4401 1 7 . 1 1 77 77 LEU N N 77 123.387 123.387 120.064 3.323 19954 4402 1 7 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.835 -0.021 19954 4403 1 7 . 1 1 77 77 LEU CA C 77 55.175 55.175 57.906 -2.731 19954 4404 1 7 . 1 1 77 77 LEU CB C 77 39.874 39.874 40.763 -0.888 19954 4405 1 7 . 1 1 77 77 LEU H H 77 8.756 8.756 8.593 0.163 19954 4406 1 7 . 1 1 78 78 ASP N N 78 120.181 120.181 118.531 1.650 19954 4407 1 7 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.231 0.064 19954 4408 1 7 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.772 -2.969 19954 4409 1 7 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.685 -2.862 19954 4410 1 7 . 1 1 78 78 ASP H H 78 7.891 7.891 8.153 -0.262 19954 4411 1 7 . 1 1 79 79 GLU N N 79 120.503 120.503 119.125 1.378 19954 4412 1 7 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.041 -0.023 19954 4413 1 7 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.098 -2.624 19954 4414 1 7 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.298 -2.094 19954 4415 1 7 . 1 1 79 79 GLU H H 79 7.502 7.502 8.459 -0.957 19954 4416 1 7 . 1 1 80 80 THR N N 80 111.013 111.013 115.085 -4.072 19954 4417 1 7 . 1 1 80 80 THR HA H 80 4.151 4.151 3.911 0.240 19954 4418 1 7 . 1 1 80 80 THR CA C 80 61.984 61.984 65.691 -3.707 19954 4419 1 7 . 1 1 80 80 THR CB C 80 67.420 67.420 68.882 -1.462 19954 4420 1 7 . 1 1 80 80 THR H H 80 7.883 7.883 8.020 -0.137 19954 4421 1 7 . 1 1 81 81 ARG N N 81 120.172 120.172 120.838 -0.666 19954 4422 1 7 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.051 0.028 19954 4423 1 7 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.434 -3.297 19954 4424 1 7 . 1 1 81 81 ARG H H 81 7.471 7.471 8.303 -0.832 19954 4425 1 7 . 1 1 82 82 SER N N 82 113.571 113.571 112.680 0.891 19954 4426 1 7 . 1 1 82 82 SER HA H 82 4.329 4.329 4.255 0.074 19954 4427 1 7 . 1 1 82 82 SER CA C 82 56.193 56.193 60.956 -4.763 19954 4428 1 7 . 1 1 82 82 SER CB C 82 72.312 72.312 63.324 8.988 19954 4429 1 7 . 1 1 82 82 SER H H 82 7.744 7.744 7.970 -0.226 19954 4430 1 7 . 1 1 83 83 ASN N N 83 119.990 119.990 117.437 2.553 19954 4431 1 7 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.919 -0.177 19954 4432 1 7 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.214 -3.051 19954 4433 1 7 . 1 1 83 83 ASN H H 83 7.792 7.792 7.717 0.075 19954 4434 1 7 . 1 1 84 84 SER N N 84 116.799 116.799 113.148 3.651 19954 4435 1 7 . 1 1 84 84 SER HA H 84 4.291 4.291 4.493 -0.202 19954 4436 1 7 . 1 1 84 84 SER CA C 84 56.325 56.325 58.483 -2.158 19954 4437 1 7 . 1 1 84 84 SER H H 84 8.352 8.352 8.239 0.113 19954 4438 1 7 . 1 1 85 85 ASN N N 85 120.087 120.087 123.018 -2.931 19954 4439 1 7 . 1 1 85 85 ASN HA H 85 4.667 4.667 5.135 -0.468 19954 4440 1 7 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.337 -1.529 19954 4441 1 7 . 1 1 85 85 ASN H H 85 8.362 8.362 8.410 -0.048 19954 4442 1 7 . 1 1 86 86 SER N N 86 116.068 116.068 112.814 3.254 19954 4443 1 7 . 1 1 86 86 SER HA H 86 4.362 4.362 4.570 -0.208 19954 4444 1 7 . 1 1 86 86 SER CA C 86 55.853 55.853 57.955 -2.102 19954 4445 1 7 . 1 1 86 86 SER H H 86 8.102 8.102 8.309 -0.207 19954 4446 1 7 . 1 1 87 87 SER N N 87 117.615 117.615 117.104 0.511 19954 4447 1 7 . 1 1 87 87 SER HA H 87 4.302 4.302 5.070 -0.768 19954 4448 1 7 . 1 1 87 87 SER CA C 87 55.608 55.608 57.314 -1.706 19954 4449 1 7 . 1 1 87 87 SER H H 87 8.269 8.269 8.182 0.087 19954 4450 1 7 . 1 1 88 88 SER N N 88 122.455 122.455 116.305 6.150 19954 4451 1 7 . 1 1 88 88 SER CA C 88 53.710 53.710 59.228 -5.518 19954 4452 1 7 . 1 1 88 88 SER H H 88 8.377 8.377 8.696 -0.319 19954 4453 1 7 . 1 1 89 89 ASN N N 89 115.430 115.430 119.667 -4.237 19954 4454 1 7 . 1 1 89 89 ASN CA C 89 58.900 58.900 52.384 6.516 19954 4455 1 7 . 1 1 89 89 ASN H H 89 8.141 8.141 8.199 -0.058 19954 4456 1 7 . 1 1 90 90 LYS N N 90 128.071 128.071 120.252 7.819 19954 4457 1 7 . 1 1 90 90 LYS CA C 90 55.381 55.381 53.227 2.154 19954 4458 1 7 . 1 1 90 90 LYS H H 90 7.961 7.961 8.427 -0.466 19954 4459 1 7 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.341 -0.936 19954 4460 1 7 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.795 -2.175 19954 4461 1 7 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.036 -3.343 19954 4462 1 7 . 1 1 92 92 GLY N N 92 112.403 112.403 109.801 2.602 19954 4463 1 7 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.174 -2.869 19954 4464 1 7 . 1 1 92 92 GLY H H 92 10.139 10.139 8.997 1.142 19954 4465 1 7 . 1 1 93 93 THR N N 93 106.254 106.254 111.509 -5.255 19954 4466 1 7 . 1 1 93 93 THR HA H 93 4.527 4.527 5.237 -0.710 19954 4467 1 7 . 1 1 93 93 THR CA C 93 56.663 56.663 59.439 -2.776 19954 4468 1 7 . 1 1 93 93 THR CB C 93 70.927 70.927 71.578 -0.651 19954 4469 1 7 . 1 1 93 93 THR H H 93 7.180 7.180 7.446 -0.266 19954 4470 1 7 . 1 1 94 94 CYS N N 94 121.465 121.465 120.435 1.030 19954 4471 1 7 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.875 -0.425 19954 4472 1 7 . 1 1 94 94 CYS CA C 94 60.867 60.867 61.505 -0.638 19954 4473 1 7 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.297 -1.051 19954 4474 1 7 . 1 1 94 94 CYS H H 94 8.777 8.777 8.679 0.098 19954 4475 1 7 . 1 1 95 95 ALA N N 95 119.619 119.619 122.664 -3.045 19954 4476 1 7 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.835 0.007 19954 4477 1 7 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.715 -2.970 19954 4478 1 7 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.862 -2.158 19954 4479 1 7 . 1 1 95 95 ALA H H 95 8.392 8.392 8.392 -0.000 19954 4480 1 7 . 1 1 96 96 HIS N N 96 118.081 118.081 119.224 -1.143 19954 4481 1 7 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.186 0.020 19954 4482 1 7 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.296 -1.605 19954 4483 1 7 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.703 -2.619 19954 4484 1 7 . 1 1 96 96 HIS H H 96 7.631 7.631 8.455 -0.824 19954 4485 1 7 . 1 1 97 97 ALA N N 97 123.652 123.652 122.864 0.788 19954 4486 1 7 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.223 -0.282 19954 4487 1 7 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.423 -2.265 19954 4488 1 7 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.561 -0.897 19954 4489 1 7 . 1 1 97 97 ALA H H 97 7.347 7.347 7.766 -0.419 19954 4490 1 7 . 1 1 98 98 ILE N N 98 115.278 115.278 118.647 -3.369 19954 4491 1 7 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.690 -0.166 19954 4492 1 7 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.063 -3.080 19954 4493 1 7 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.512 -1.845 19954 4494 1 7 . 1 1 98 98 ILE H H 98 7.916 7.916 8.665 -0.749 19954 4495 1 7 . 1 1 99 99 ASN N N 99 120.684 120.684 118.621 2.063 19954 4496 1 7 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.290 0.114 19954 4497 1 7 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.709 -2.570 19954 4498 1 7 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.353 -2.108 19954 4499 1 7 . 1 1 99 99 ASN H H 99 7.978 7.978 8.019 -0.041 19954 4500 1 7 . 1 1 100 100 THR N N 100 117.791 117.791 116.874 0.917 19954 4501 1 7 . 1 1 100 100 THR HA H 100 3.630 3.630 3.843 -0.213 19954 4502 1 7 . 1 1 100 100 THR CA C 100 63.899 63.899 66.085 -2.186 19954 4503 1 7 . 1 1 100 100 THR CB C 100 66.038 66.038 68.562 -2.524 19954 4504 1 7 . 1 1 100 100 THR H H 100 8.295 8.295 8.108 0.187 19954 4505 1 7 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.846 -0.128 19954 4506 1 7 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.008 -3.583 19954 4507 1 7 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.662 -0.474 19954 4508 1 7 . 1 1 101 101 LEU H H 101 7.825 7.825 8.510 -0.685 19954 4509 1 7 . 1 1 102 102 GLY N N 102 105.767 105.767 103.163 2.604 19954 4510 1 7 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.206 -0.865 19954 4511 1 7 . 1 1 102 102 GLY H H 102 8.591 8.591 7.952 0.639 19954 4512 1 7 . 1 1 103 103 GLU N N 103 116.366 116.366 119.541 -3.175 19954 4513 1 7 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.298 -0.231 19954 4514 1 7 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.550 -2.104 19954 4515 1 7 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.203 -2.826 19954 4516 1 7 . 1 1 103 103 GLU H H 103 7.471 7.471 7.826 -0.355 19954 4517 1 7 . 1 1 104 104 VAL N N 104 108.377 108.377 113.360 -4.983 19954 4518 1 7 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.389 0.367 19954 4519 1 7 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.877 -5.022 19954 4520 1 7 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.560 -2.683 19954 4521 1 7 . 1 1 104 104 VAL H H 104 7.016 7.016 7.663 -0.647 19954 4522 1 7 . 1 1 105 105 ILE N N 105 123.784 123.784 122.687 1.097 19954 4523 1 7 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.626 0.128 19954 4524 1 7 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.571 -6.171 19954 4525 1 7 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.959 -2.548 19954 4526 1 7 . 1 1 105 105 ILE H H 105 7.197 7.197 8.564 -1.367 19954 4527 1 7 . 1 1 106 106 GLN N N 106 121.117 121.117 118.572 2.545 19954 4528 1 7 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.889 -0.234 19954 4529 1 7 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.294 -0.960 19954 4530 1 7 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.304 -0.412 19954 4531 1 7 . 1 1 106 106 GLN H H 106 8.549 8.549 8.628 -0.079 19954 4532 1 7 . 1 1 107 107 GLU N N 107 122.716 122.716 121.548 1.168 19954 4533 1 7 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.103 -0.266 19954 4534 1 7 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.627 -2.039 19954 4535 1 7 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.910 -2.377 19954 4536 1 7 . 1 1 107 107 GLU H H 107 7.762 7.762 8.024 -0.262 19954 4537 1 7 . 1 1 108 108 LEU N N 108 116.615 116.615 121.304 -4.689 19954 4538 1 7 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.980 -0.001 19954 4539 1 7 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.919 -3.125 19954 4540 1 7 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.682 -3.185 19954 4541 1 7 . 1 1 108 108 LEU H H 108 8.016 8.016 7.556 0.460 19954 4542 1 7 . 1 1 109 109 LEU N N 109 118.708 118.708 118.967 -0.259 19954 4543 1 7 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.833 0.007 19954 4544 1 7 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.963 -3.237 19954 4545 1 7 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.735 -0.413 19954 4546 1 7 . 1 1 109 109 LEU H H 109 8.801 8.801 8.498 0.303 19954 4547 1 7 . 1 1 110 110 SER N N 110 114.083 114.083 114.753 -0.670 19954 4548 1 7 . 1 1 110 110 SER HA H 110 3.848 3.848 3.907 -0.059 19954 4549 1 7 . 1 1 110 110 SER CA C 110 60.127 60.127 61.610 -1.483 19954 4550 1 7 . 1 1 110 110 SER CB C 110 60.300 60.300 62.469 -2.169 19954 4551 1 7 . 1 1 110 110 SER H H 110 8.161 8.161 8.373 -0.212 19954 4552 1 7 . 1 1 111 111 ASP N N 111 120.151 120.151 123.029 -2.878 19954 4553 1 7 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.220 0.122 19954 4554 1 7 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.397 -2.630 19954 4555 1 7 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.373 -0.629 19954 4556 1 7 . 1 1 111 111 ASP H H 111 7.614 7.614 7.967 -0.353 19954 4557 1 7 . 1 1 112 112 ALA N N 112 116.927 116.927 122.579 -5.652 19954 4558 1 7 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.884 -0.295 19954 4559 1 7 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.314 -2.591 19954 4560 1 7 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.495 -0.848 19954 4561 1 7 . 1 1 112 112 ALA H H 112 7.662 7.662 7.949 -0.287 19954 4562 1 7 . 1 1 113 113 ILE N N 113 119.039 119.039 117.811 1.228 19954 4563 1 7 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.544 -0.317 19954 4564 1 7 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.665 -0.985 19954 4565 1 7 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.704 -1.545 19954 4566 1 7 . 1 1 113 113 ILE H H 113 8.681 8.681 8.191 0.490 19954 4567 1 7 . 1 1 114 114 ALA N N 114 120.055 120.055 120.980 -0.925 19954 4568 1 7 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.927 -0.020 19954 4569 1 7 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.285 -1.697 19954 4570 1 7 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.808 -2.676 19954 4571 1 7 . 1 1 114 114 ALA H H 114 7.716 7.716 7.892 -0.176 19954 4572 1 7 . 1 1 115 115 LYS N N 115 113.845 113.845 118.418 -4.573 19954 4573 1 7 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.033 0.050 19954 4574 1 7 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.464 -3.509 19954 4575 1 7 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.330 -0.696 19954 4576 1 7 . 1 1 115 115 LYS H H 115 7.248 7.248 8.019 -0.771 19954 4577 1 7 . 1 1 116 116 SER N N 116 115.794 115.794 114.468 1.326 19954 4578 1 7 . 1 1 116 116 SER HA H 116 4.503 4.503 4.325 0.178 19954 4579 1 7 . 1 1 116 116 SER CA C 116 57.848 57.848 59.814 -1.966 19954 4580 1 7 . 1 1 116 116 SER CB C 116 63.380 63.380 64.033 -0.653 19954 4581 1 7 . 1 1 116 116 SER H H 116 7.124 7.124 8.005 -0.881 19954 4582 1 7 . 1 1 117 117 ASN N N 117 119.747 119.747 121.613 -1.866 19954 4583 1 7 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.800 -0.278 19954 4584 1 7 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.330 -2.988 19954 4585 1 7 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.376 -4.094 19954 4586 1 7 . 1 1 117 117 ASN H H 117 8.457 8.457 8.025 0.432 19954 4587 1 7 . 1 1 118 118 GLN N N 118 117.591 117.591 118.264 -0.673 19954 4588 1 7 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.930 -0.153 19954 4589 1 7 . 1 1 118 118 GLN CA C 118 57.184 57.184 59.787 -2.603 19954 4590 1 7 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.537 3.004 19954 4591 1 7 . 1 1 118 118 GLN H H 118 8.418 8.418 8.623 -0.205 19954 4592 1 7 . 1 1 119 119 ASP N N 119 119.281 119.281 119.175 0.106 19954 4593 1 7 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.438 -0.148 19954 4594 1 7 . 1 1 119 119 ASP CA C 119 54.593 54.593 58.347 -3.755 19954 4595 1 7 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.355 -1.452 19954 4596 1 7 . 1 1 119 119 ASP H H 119 7.973 7.973 8.640 -0.667 19954 4597 1 7 . 1 1 120 120 HIS N N 120 118.871 118.871 118.283 0.588 19954 4598 1 7 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.119 0.221 19954 4599 1 7 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.642 -2.884 19954 4600 1 7 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.590 -1.862 19954 4601 1 7 . 1 1 120 120 HIS H H 120 8.702 8.702 8.083 0.619 19954 4602 1 7 . 1 1 121 121 LYS N N 121 120.739 120.739 119.033 1.706 19954 4603 1 7 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.862 -0.094 19954 4604 1 7 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.658 0.027 19954 4605 1 7 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.416 -0.492 19954 4606 1 7 . 1 1 121 121 LYS H H 121 8.990 8.990 8.684 0.306 19954 4607 1 7 . 1 1 122 122 GLU N N 122 117.889 117.889 119.604 -1.715 19954 4608 1 7 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.010 0.052 19954 4609 1 7 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.520 -3.415 19954 4610 1 7 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.226 -2.535 19954 4611 1 7 . 1 1 122 122 GLU H H 122 7.615 7.615 7.985 -0.370 19954 4612 1 7 . 1 1 123 123 LYS N N 123 119.139 119.139 119.163 -0.024 19954 4613 1 7 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.101 -0.142 19954 4614 1 7 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.922 -2.320 19954 4615 1 7 . 1 1 123 123 LYS CB C 123 30.223 30.223 32.118 -1.895 19954 4616 1 7 . 1 1 123 123 LYS H H 123 7.550 7.550 7.603 -0.053 19954 4617 1 7 . 1 1 124 124 ILE N N 124 123.103 123.103 119.819 3.284 19954 4618 1 7 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.445 -0.219 19954 4619 1 7 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.611 -1.927 19954 4620 1 7 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.472 -2.729 19954 4621 1 7 . 1 1 124 124 ILE H H 124 8.356 8.356 7.898 0.458 19954 4622 1 7 . 1 1 125 125 ARG N N 125 122.162 122.162 119.834 2.328 19954 4623 1 7 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.844 -0.738 19954 4624 1 7 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.408 -1.384 19954 4625 1 7 . 1 1 125 125 ARG CB C 125 31.971 31.971 29.988 1.984 19954 4626 1 7 . 1 1 125 125 ARG H H 125 7.988 7.988 7.990 -0.002 19954 4627 1 7 . 1 1 126 126 MET N N 126 115.215 115.215 119.010 -3.795 19954 4628 1 7 . 1 1 126 126 MET HA H 126 3.973 3.973 4.107 -0.134 19954 4629 1 7 . 1 1 126 126 MET CA C 126 55.896 55.896 58.949 -3.053 19954 4630 1 7 . 1 1 126 126 MET CB C 126 29.856 29.856 32.407 -2.551 19954 4631 1 7 . 1 1 126 126 MET H H 126 7.455 7.455 7.770 -0.315 19954 4632 1 7 . 1 1 127 127 LEU N N 127 122.351 122.351 120.494 1.857 19954 4633 1 7 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.847 -0.295 19954 4634 1 7 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.696 -2.908 19954 4635 1 7 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.167 -1.889 19954 4636 1 7 . 1 1 127 127 LEU H H 127 7.479 7.479 7.772 -0.293 19954 4637 1 7 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.346 0.537 19954 4638 1 7 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.116 -2.769 19954 4639 1 7 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.221 -2.413 19954 4640 1 7 . 1 1 128 128 LEU H H 128 7.841 7.841 8.033 -0.192 19954 4641 1 7 . 1 1 129 129 ASP N N 129 116.915 116.915 119.088 -2.173 19954 4642 1 7 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.349 0.038 19954 4643 1 7 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.862 -5.263 19954 4644 1 7 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.789 -2.923 19954 4645 1 7 . 1 1 129 129 ASP H H 129 7.034 7.034 7.778 -0.744 19954 4646 1 7 . 1 1 130 130 ILE N N 130 124.155 124.155 120.111 4.044 19954 4647 1 7 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.670 -0.027 19954 4648 1 7 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.197 -1.821 19954 4649 1 7 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.873 -3.090 19954 4650 1 7 . 1 1 130 130 ILE H H 130 7.671 7.671 7.646 0.025 19954 4651 1 7 . 1 1 131 131 TRP N N 131 125.421 125.421 120.065 5.356 19954 4652 1 7 . 1 1 131 131 TRP H H 131 8.831 8.831 7.939 0.892 19954 4653 1 7 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.829 2.610 19954 4654 1 7 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.226 0.257 19954 4655 1 7 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.441 -4.704 19954 4656 1 7 . 1 1 144 144 ALA N N 144 121.013 121.013 122.872 -1.859 19954 4657 1 7 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.859 0.245 19954 4658 1 7 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.984 -2.306 19954 4659 1 7 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.540 -3.164 19954 4660 1 7 . 1 1 144 144 ALA H H 144 8.212 8.212 8.124 0.088 19954 4661 1 7 . 1 1 145 145 ILE N N 145 117.646 117.646 115.516 2.130 19954 4662 1 7 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.596 0.232 19954 4663 1 7 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.956 -4.612 19954 4664 1 7 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.633 0.509 19954 4665 1 7 . 1 1 145 145 ILE H H 145 7.183 7.183 7.747 -0.564 19954 4666 1 7 . 1 1 146 146 ARG N N 146 121.150 121.150 120.748 0.402 19954 4667 1 7 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.318 0.584 19954 4668 1 7 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.453 0.012 19954 4669 1 7 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.911 -2.128 19954 4670 1 7 . 1 1 146 146 ARG H H 146 8.477 8.477 7.742 0.735 19954 4671 1 7 . 1 1 147 147 SER N N 147 111.836 111.836 115.993 -4.157 19954 4672 1 7 . 1 1 147 147 SER HA H 147 4.162 4.162 4.276 -0.114 19954 4673 1 7 . 1 1 147 147 SER CA C 147 58.642 58.642 57.880 0.762 19954 4674 1 7 . 1 1 147 147 SER CB C 147 60.972 60.972 62.423 -1.451 19954 4675 1 7 . 1 1 147 147 SER H H 147 8.187 8.187 7.381 0.806 19954 4676 1 7 . 1 1 148 148 LYS N N 148 118.675 118.675 126.315 -7.640 19954 4677 1 7 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.808 0.330 19954 4678 1 7 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.003 -2.986 19954 4679 1 7 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.271 0.509 19954 4680 1 7 . 1 1 148 148 LYS H H 148 7.837 7.837 8.374 -0.537 19954 4681 1 7 . 1 1 149 149 CYS N N 149 113.256 113.256 117.733 -4.477 19954 4682 1 7 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.114 0.478 19954 4683 1 7 . 1 1 149 149 CYS CA C 149 52.012 52.012 61.944 -9.932 19954 4684 1 7 . 1 1 149 149 CYS H H 149 8.267 8.267 8.106 0.161 19954 4685 1 7 . 1 1 150 150 PHE N N 150 116.623 116.623 120.897 -4.274 19954 4686 1 7 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.028 0.916 19954 4687 1 7 . 1 1 150 150 PHE CA C 150 54.409 54.409 60.921 -6.512 19954 4688 1 7 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.365 -0.312 19954 4689 1 7 . 1 1 150 150 PHE H H 150 7.373 7.373 8.741 -1.368 19954 4690 1 7 . 1 1 151 151 ALA N N 151 122.583 122.583 120.835 1.748 19954 4691 1 7 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.807 0.372 19954 4692 1 7 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.128 -4.487 19954 4693 1 7 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.426 -2.487 19954 4694 1 7 . 1 1 151 151 ALA H H 151 7.710 7.710 8.586 -0.876 19954 4695 1 7 . 1 1 152 152 MET N N 152 118.250 118.250 116.981 1.269 19954 4696 1 7 . 1 1 152 152 MET HA H 152 4.262 4.262 3.945 0.317 19954 4697 1 7 . 1 1 152 152 MET CA C 152 53.482 53.482 58.818 -5.336 19954 4698 1 7 . 1 1 152 152 MET CB C 152 30.488 30.488 31.371 -0.883 19954 4699 1 7 . 1 1 152 152 MET H H 152 8.086 8.086 7.973 0.113 19954 4700 1 7 . 1 1 153 153 ASP N N 153 121.780 121.780 119.580 2.200 19954 4701 1 7 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.309 0.169 19954 4702 1 7 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.693 -5.067 19954 4703 1 7 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.127 -2.667 19954 4704 1 7 . 1 1 153 153 ASP H H 153 8.299 8.299 7.969 0.330 19954 4705 1 7 . 1 1 154 154 LEU N N 154 122.337 122.337 119.644 2.693 19954 4706 1 7 . 1 1 154 154 LEU HA H 154 4.108 4.108 3.957 0.151 19954 4707 1 7 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.705 -4.852 19954 4708 1 7 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.757 -2.041 19954 4709 1 7 . 1 1 154 154 LEU H H 154 8.072 8.072 8.093 -0.021 19954 4710 1 7 . 1 1 155 155 GLU N N 155 119.995 119.995 118.042 1.953 19954 4711 1 7 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.063 -0.068 19954 4712 1 7 . 1 1 155 155 GLU CA C 155 54.299 54.299 58.934 -4.635 19954 4713 1 7 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.919 -2.285 19954 4714 1 7 . 1 1 155 155 GLU H H 155 8.151 8.151 7.453 0.698 19954 4715 1 7 . 1 1 156 156 HIS N N 156 118.980 118.980 116.381 2.599 19954 4716 1 7 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.428 -0.208 19954 4717 1 7 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.481 -3.038 19954 4718 1 7 . 1 1 156 156 HIS H H 156 8.007 8.007 7.604 0.403 19954 4719 1 7 . 1 1 157 157 HIS N N 157 121.956 121.956 116.491 5.465 19954 4720 1 7 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.659 -0.248 19954 4721 1 7 . 1 1 157 157 HIS CA C 157 53.252 53.252 54.720 -1.468 19954 4722 1 7 . 1 1 157 157 HIS H H 157 8.580 8.580 8.034 0.546 19954 4723 1 7 . 1 1 158 158 HIS N N 158 125.474 125.474 118.129 7.345 19954 4724 1 7 . 1 1 158 158 HIS CA C 158 54.628 54.628 56.102 -1.474 19954 4725 1 7 . 1 1 158 158 HIS H H 158 7.906 7.906 8.662 -0.756 19954 4726 1 8 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.769 -0.454 19954 4727 1 8 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.092 -3.378 19954 4728 1 8 . 1 1 5 5 ASP N N 5 120.880 120.880 119.149 1.731 19954 4729 1 8 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.926 -0.472 19954 4730 1 8 . 1 1 5 5 ASP CA C 5 52.575 52.575 54.019 -1.444 19954 4731 1 8 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.995 -3.271 19954 4732 1 8 . 1 1 5 5 ASP H H 5 8.277 8.277 8.233 0.044 19954 4733 1 8 . 1 1 6 6 ASP N N 6 120.876 120.876 120.220 0.656 19954 4734 1 8 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.838 -0.356 19954 4735 1 8 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.106 -0.144 19954 4736 1 8 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.734 -4.176 19954 4737 1 8 . 1 1 6 6 ASP H H 6 8.497 8.497 7.970 0.527 19954 4738 1 8 . 1 1 7 7 PHE N N 7 122.789 122.789 120.335 2.454 19954 4739 1 8 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.303 -0.194 19954 4740 1 8 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.801 -1.931 19954 4741 1 8 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.546 -2.879 19954 4742 1 8 . 1 1 7 7 PHE H H 7 8.337 8.337 8.754 -0.417 19954 4743 1 8 . 1 1 8 8 GLN N N 8 116.255 116.255 119.386 -3.131 19954 4744 1 8 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.820 -0.071 19954 4745 1 8 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.573 -3.847 19954 4746 1 8 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.041 -3.253 19954 4747 1 8 . 1 1 8 8 GLN H H 8 8.488 8.488 8.676 -0.188 19954 4748 1 8 . 1 1 9 9 ASN N N 9 118.242 118.242 118.357 -0.115 19954 4749 1 8 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.336 -0.022 19954 4750 1 8 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.635 -3.060 19954 4751 1 8 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.449 -2.196 19954 4752 1 8 . 1 1 9 9 ASN H H 9 7.801 7.801 7.781 0.020 19954 4753 1 8 . 1 1 10 10 PHE N N 10 124.982 124.982 121.285 3.697 19954 4754 1 8 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.666 -0.212 19954 4755 1 8 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.184 -2.190 19954 4756 1 8 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.179 -3.144 19954 4757 1 8 . 1 1 10 10 PHE H H 10 6.924 6.924 6.870 0.054 19954 4758 1 8 . 1 1 11 11 VAL N N 11 118.513 118.513 118.943 -0.430 19954 4759 1 8 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.057 -0.223 19954 4760 1 8 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.617 -2.386 19954 4761 1 8 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.009 -0.931 19954 4762 1 8 . 1 1 11 11 VAL H H 11 7.448 7.448 7.843 -0.395 19954 4763 1 8 . 1 1 12 12 ALA N N 12 119.214 119.214 120.800 -1.586 19954 4764 1 8 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.798 0.086 19954 4765 1 8 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.573 -3.147 19954 4766 1 8 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.934 -2.285 19954 4767 1 8 . 1 1 12 12 ALA H H 12 8.028 8.028 8.347 -0.319 19954 4768 1 8 . 1 1 13 13 THR N N 13 116.435 116.435 116.221 0.214 19954 4769 1 8 . 1 1 13 13 THR HA H 13 3.624 3.624 3.774 -0.150 19954 4770 1 8 . 1 1 13 13 THR CA C 13 64.041 64.041 66.572 -2.531 19954 4771 1 8 . 1 1 13 13 THR CB C 13 65.118 65.118 68.549 -3.431 19954 4772 1 8 . 1 1 13 13 THR H H 13 7.638 7.638 7.681 -0.043 19954 4773 1 8 . 1 1 14 14 LEU N N 14 126.284 126.284 121.700 4.584 19954 4774 1 8 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.475 0.155 19954 4775 1 8 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.770 -2.283 19954 4776 1 8 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.041 -2.189 19954 4777 1 8 . 1 1 14 14 LEU H H 14 7.975 7.975 7.467 0.508 19954 4778 1 8 . 1 1 15 15 GLU N N 15 116.145 116.145 118.094 -1.949 19954 4779 1 8 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.888 -0.071 19954 4780 1 8 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.669 -3.275 19954 4781 1 8 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.001 -2.093 19954 4782 1 8 . 1 1 15 15 GLU H H 15 8.503 8.503 8.521 -0.018 19954 4783 1 8 . 1 1 16 16 SER N N 16 114.452 114.452 114.561 -0.109 19954 4784 1 8 . 1 1 16 16 SER HA H 16 4.196 4.196 4.223 -0.027 19954 4785 1 8 . 1 1 16 16 SER CA C 16 58.515 58.515 61.025 -2.510 19954 4786 1 8 . 1 1 16 16 SER CB C 16 60.155 60.155 62.816 -2.660 19954 4787 1 8 . 1 1 16 16 SER H H 16 7.643 7.643 8.045 -0.402 19954 4788 1 8 . 1 1 17 17 PHE N N 17 124.020 124.020 122.031 1.989 19954 4789 1 8 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.144 -0.320 19954 4790 1 8 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.025 -1.690 19954 4791 1 8 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.936 -2.082 19954 4792 1 8 . 1 1 17 17 PHE H H 17 8.082 8.082 8.036 0.046 19954 4793 1 8 . 1 1 18 18 LYS N N 18 116.570 116.570 117.943 -1.373 19954 4794 1 8 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.058 -0.111 19954 4795 1 8 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.732 -1.877 19954 4796 1 8 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.794 -2.342 19954 4797 1 8 . 1 1 18 18 LYS H H 18 7.849 7.849 7.881 -0.032 19954 4798 1 8 . 1 1 19 19 ASP N N 19 116.332 116.332 119.491 -3.159 19954 4799 1 8 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.465 0.074 19954 4800 1 8 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.690 -3.533 19954 4801 1 8 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.364 -2.661 19954 4802 1 8 . 1 1 19 19 ASP H H 19 7.276 7.276 7.703 -0.427 19954 4803 1 8 . 1 1 20 20 LEU N N 20 119.769 119.769 119.410 0.359 19954 4804 1 8 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.130 0.269 19954 4805 1 8 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.591 -4.592 19954 4806 1 8 . 1 1 20 20 LEU H H 20 7.226 7.226 7.724 -0.498 19954 4807 1 8 . 1 1 21 21 LYS N N 21 126.041 126.041 120.370 5.671 19954 4808 1 8 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.140 -0.077 19954 4809 1 8 . 1 1 21 21 LYS CA C 21 56.849 56.849 58.163 -1.314 19954 4810 1 8 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.496 -0.862 19954 4811 1 8 . 1 1 21 21 LYS H H 21 9.203 9.203 8.492 0.711 19954 4812 1 8 . 1 1 22 22 SER N N 22 109.885 109.885 114.385 -4.500 19954 4813 1 8 . 1 1 22 22 SER HA H 22 4.322 4.322 4.466 -0.144 19954 4814 1 8 . 1 1 22 22 SER CA C 22 55.254 55.254 58.389 -3.135 19954 4815 1 8 . 1 1 22 22 SER CB C 22 62.254 62.254 64.669 -2.415 19954 4816 1 8 . 1 1 22 22 SER H H 22 8.607 8.607 7.947 0.660 19954 4817 1 8 . 1 1 23 23 GLY N N 23 106.286 106.286 107.570 -1.284 19954 4818 1 8 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.950 -0.970 19954 4819 1 8 . 1 1 23 23 GLY H H 23 6.619 6.619 7.955 -1.336 19954 4820 1 8 . 1 1 24 24 ILE N N 24 118.883 118.883 117.661 1.222 19954 4821 1 8 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.230 -0.246 19954 4822 1 8 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.140 -0.973 19954 4823 1 8 . 1 1 24 24 ILE CB C 24 39.646 39.646 41.859 -2.213 19954 4824 1 8 . 1 1 24 24 ILE H H 24 7.929 7.929 7.340 0.589 19954 4825 1 8 . 1 1 25 25 SER N N 25 117.952 117.952 120.512 -2.560 19954 4826 1 8 . 1 1 25 25 SER HA H 25 5.093 5.093 4.626 0.467 19954 4827 1 8 . 1 1 25 25 SER CA C 25 52.534 52.534 58.526 -5.992 19954 4828 1 8 . 1 1 25 25 SER CB C 25 61.938 61.938 66.035 -4.097 19954 4829 1 8 . 1 1 25 25 SER H H 25 5.660 5.660 8.767 -3.107 19954 4830 1 8 . 1 1 26 26 GLY N N 26 120.266 120.266 113.716 6.550 19954 4831 1 8 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.407 -1.919 19954 4832 1 8 . 1 1 26 26 GLY H H 26 8.596 8.596 8.765 -0.169 19954 4833 1 8 . 1 1 27 27 SER N N 27 120.500 120.500 116.622 3.878 19954 4834 1 8 . 1 1 27 27 SER HA H 27 4.410 4.410 4.150 0.260 19954 4835 1 8 . 1 1 27 27 SER CA C 27 58.793 58.793 61.499 -2.706 19954 4836 1 8 . 1 1 27 27 SER CB C 27 62.224 62.224 62.965 -0.741 19954 4837 1 8 . 1 1 27 27 SER H H 27 9.846 9.846 8.442 1.404 19954 4838 1 8 . 1 1 28 28 ARG N N 28 123.779 123.779 120.592 3.187 19954 4839 1 8 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.916 -0.031 19954 4840 1 8 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.616 -2.776 19954 4841 1 8 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.854 -1.740 19954 4842 1 8 . 1 1 28 28 ARG H H 28 8.034 8.034 8.197 -0.163 19954 4843 1 8 . 1 1 29 29 ILE N N 29 120.700 120.700 119.994 0.706 19954 4844 1 8 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.302 0.170 19954 4845 1 8 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.394 -0.765 19954 4846 1 8 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.308 -1.640 19954 4847 1 8 . 1 1 29 29 ILE H H 29 8.374 8.374 7.768 0.606 19954 4848 1 8 . 1 1 30 30 LYS N N 30 124.209 124.209 120.107 4.102 19954 4849 1 8 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.846 0.182 19954 4850 1 8 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.147 -2.746 19954 4851 1 8 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.210 -2.930 19954 4852 1 8 . 1 1 30 30 LYS H H 30 8.231 8.231 8.273 -0.042 19954 4853 1 8 . 1 1 31 31 LYS N N 31 120.422 120.422 119.448 0.974 19954 4854 1 8 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.035 0.003 19954 4855 1 8 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.247 -1.629 19954 4856 1 8 . 1 1 31 31 LYS CB C 31 30.169 30.169 31.985 -1.816 19954 4857 1 8 . 1 1 31 31 LYS H H 31 7.449 7.449 7.809 -0.360 19954 4858 1 8 . 1 1 32 32 LEU N N 32 118.348 118.348 119.408 -1.060 19954 4859 1 8 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.112 -0.051 19954 4860 1 8 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.750 -3.340 19954 4861 1 8 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.274 -1.492 19954 4862 1 8 . 1 1 32 32 LEU H H 32 8.186 8.186 7.995 0.191 19954 4863 1 8 . 1 1 33 33 THR N N 33 116.500 116.500 114.946 1.554 19954 4864 1 8 . 1 1 33 33 THR HA H 33 3.662 3.662 4.000 -0.338 19954 4865 1 8 . 1 1 33 33 THR CA C 33 64.726 64.726 67.281 -2.555 19954 4866 1 8 . 1 1 33 33 THR CB C 33 66.097 66.097 68.015 -1.918 19954 4867 1 8 . 1 1 33 33 THR H H 33 8.066 8.066 8.483 -0.417 19954 4868 1 8 . 1 1 34 34 THR N N 34 119.029 119.029 118.190 0.839 19954 4869 1 8 . 1 1 34 34 THR HA H 34 3.759 3.759 3.894 -0.135 19954 4870 1 8 . 1 1 34 34 THR CA C 34 64.291 64.291 66.554 -2.263 19954 4871 1 8 . 1 1 34 34 THR CB C 34 66.733 66.733 69.020 -2.287 19954 4872 1 8 . 1 1 34 34 THR H H 34 8.685 8.685 7.967 0.718 19954 4873 1 8 . 1 1 35 35 TYR N N 35 120.298 120.298 122.389 -2.091 19954 4874 1 8 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.042 0.160 19954 4875 1 8 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.705 -1.551 19954 4876 1 8 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.197 -2.187 19954 4877 1 8 . 1 1 35 35 TYR H H 35 7.663 7.663 8.184 -0.521 19954 4878 1 8 . 1 1 36 36 ALA N N 36 121.480 121.480 122.037 -0.557 19954 4879 1 8 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.977 -0.065 19954 4880 1 8 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.088 -1.952 19954 4881 1 8 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.403 -3.530 19954 4882 1 8 . 1 1 36 36 ALA H H 36 8.543 8.543 8.478 0.065 19954 4883 1 8 . 1 1 37 37 LEU N N 37 120.767 120.767 118.914 1.853 19954 4884 1 8 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.905 0.198 19954 4885 1 8 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.667 -3.827 19954 4886 1 8 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.934 -1.752 19954 4887 1 8 . 1 1 37 37 LEU H H 37 8.351 8.351 8.135 0.216 19954 4888 1 8 . 1 1 38 38 ASP N N 38 119.008 119.008 116.978 2.030 19954 4889 1 8 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.188 0.268 19954 4890 1 8 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.088 -3.948 19954 4891 1 8 . 1 1 38 38 ASP CB C 38 38.899 38.899 40.998 -2.099 19954 4892 1 8 . 1 1 38 38 ASP H H 38 7.557 7.557 8.017 -0.460 19954 4893 1 8 . 1 1 39 39 HIS N N 39 118.142 118.142 117.779 0.363 19954 4894 1 8 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.676 -0.051 19954 4895 1 8 . 1 1 39 39 HIS CA C 39 52.146 52.146 53.884 -1.738 19954 4896 1 8 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.206 -3.700 19954 4897 1 8 . 1 1 39 39 HIS H H 39 7.094 7.094 7.552 -0.458 19954 4898 1 8 . 1 1 40 40 ILE N N 40 121.885 121.885 122.922 -1.037 19954 4899 1 8 . 1 1 40 40 ILE HA H 40 3.426 3.426 4.262 -0.836 19954 4900 1 8 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.691 0.902 19954 4901 1 8 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.119 -0.946 19954 4902 1 8 . 1 1 40 40 ILE H H 40 7.630 7.630 8.397 -0.767 19954 4903 1 8 . 1 1 41 41 ASP N N 41 114.814 114.814 118.452 -3.638 19954 4904 1 8 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.607 -0.421 19954 4905 1 8 . 1 1 41 41 ASP CA C 41 54.016 54.016 53.750 0.266 19954 4906 1 8 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.120 -3.284 19954 4907 1 8 . 1 1 41 41 ASP H H 41 8.433 8.433 8.468 -0.035 19954 4908 1 8 . 1 1 42 42 ILE N N 42 113.793 113.793 111.781 2.012 19954 4909 1 8 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.494 0.218 19954 4910 1 8 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.608 -2.367 19954 4911 1 8 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.550 -3.654 19954 4912 1 8 . 1 1 42 42 ILE H H 42 7.447 7.447 7.235 0.212 19954 4913 1 8 . 1 1 43 43 GLU N N 43 120.845 120.845 122.732 -1.887 19954 4914 1 8 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.163 -0.117 19954 4915 1 8 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.301 -2.533 19954 4916 1 8 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.930 -4.913 19954 4917 1 8 . 1 1 43 43 GLU H H 43 8.195 8.195 8.020 0.175 19954 4918 1 8 . 1 1 44 44 SER N N 44 113.781 113.781 115.732 -1.951 19954 4919 1 8 . 1 1 44 44 SER HA H 44 3.944 3.944 4.095 -0.151 19954 4920 1 8 . 1 1 44 44 SER CA C 44 59.590 59.590 62.281 -2.691 19954 4921 1 8 . 1 1 44 44 SER CB C 44 59.878 59.878 62.835 -2.957 19954 4922 1 8 . 1 1 44 44 SER H H 44 8.728 8.728 8.711 0.017 19954 4923 1 8 . 1 1 45 45 LYS N N 45 121.258 121.258 119.938 1.320 19954 4924 1 8 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.029 0.050 19954 4925 1 8 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.901 -2.711 19954 4926 1 8 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.515 -1.038 19954 4927 1 8 . 1 1 45 45 LYS H H 45 7.329 7.329 8.338 -1.009 19954 4928 1 8 . 1 1 46 46 ILE N N 46 121.022 121.022 121.780 -0.758 19954 4929 1 8 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.820 -0.457 19954 4930 1 8 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.052 -1.795 19954 4931 1 8 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.681 -0.789 19954 4932 1 8 . 1 1 46 46 ILE H H 46 7.360 7.360 7.811 -0.451 19954 4933 1 8 . 1 1 47 47 ILE N N 47 118.543 118.543 119.309 -0.766 19954 4934 1 8 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.634 0.105 19954 4935 1 8 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.256 -5.599 19954 4936 1 8 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.373 -4.245 19954 4937 1 8 . 1 1 47 47 ILE H H 47 9.378 9.378 8.437 0.941 19954 4938 1 8 . 1 1 48 48 SER N N 48 113.001 113.001 115.840 -2.839 19954 4939 1 8 . 1 1 48 48 SER HA H 48 4.016 4.016 4.178 -0.162 19954 4940 1 8 . 1 1 48 48 SER CA C 48 59.574 59.574 62.135 -2.561 19954 4941 1 8 . 1 1 48 48 SER CB C 48 60.341 60.341 63.171 -2.830 19954 4942 1 8 . 1 1 48 48 SER H H 48 7.382 7.382 8.497 -1.115 19954 4943 1 8 . 1 1 49 49 LEU N N 49 120.059 120.059 123.318 -3.259 19954 4944 1 8 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.186 -0.016 19954 4945 1 8 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.392 -2.726 19954 4946 1 8 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.111 -2.361 19954 4947 1 8 . 1 1 49 49 LEU H H 49 7.477 7.477 8.250 -0.773 19954 4948 1 8 . 1 1 50 50 ILE N N 50 115.429 115.429 117.537 -2.108 19954 4949 1 8 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.551 0.542 19954 4950 1 8 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.059 -2.255 19954 4951 1 8 . 1 1 50 50 ILE H H 50 8.081 8.081 7.896 0.185 19954 4952 1 8 . 1 1 51 51 ILE N N 51 125.106 125.106 121.790 3.316 19954 4953 1 8 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.579 -0.123 19954 4954 1 8 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.191 -2.043 19954 4955 1 8 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.794 -2.075 19954 4956 1 8 . 1 1 51 51 ILE H H 51 8.194 8.194 8.263 -0.069 19954 4957 1 8 . 1 1 52 52 ASP N N 52 119.519 119.519 119.981 -0.462 19954 4958 1 8 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.283 -0.039 19954 4959 1 8 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.805 -2.821 19954 4960 1 8 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.202 -3.337 19954 4961 1 8 . 1 1 52 52 ASP H H 52 7.850 7.850 8.238 -0.388 19954 4962 1 8 . 1 1 53 53 TYR N N 53 118.402 118.402 120.587 -2.185 19954 4963 1 8 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.048 -0.156 19954 4964 1 8 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.177 -1.432 19954 4965 1 8 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.462 -2.599 19954 4966 1 8 . 1 1 53 53 TYR H H 53 8.260 8.260 8.794 -0.534 19954 4967 1 8 . 1 1 54 54 SER N N 54 111.626 111.626 116.491 -4.865 19954 4968 1 8 . 1 1 54 54 SER HA H 54 4.058 4.058 3.982 0.076 19954 4969 1 8 . 1 1 54 54 SER CA C 54 58.733 58.733 61.025 -2.292 19954 4970 1 8 . 1 1 54 54 SER CB C 54 62.430 62.430 63.451 -1.021 19954 4971 1 8 . 1 1 54 54 SER H H 54 7.316 7.316 8.123 -0.807 19954 4972 1 8 . 1 1 55 55 ARG N N 55 114.937 114.937 122.517 -7.580 19954 4973 1 8 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.654 0.518 19954 4974 1 8 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.938 -1.665 19954 4975 1 8 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.506 -1.256 19954 4976 1 8 . 1 1 55 55 ARG H H 55 7.901 7.901 7.510 0.391 19954 4977 1 8 . 1 1 56 56 LEU N N 56 116.307 116.307 119.736 -3.429 19954 4978 1 8 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.020 0.183 19954 4979 1 8 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.871 -4.071 19954 4980 1 8 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.086 -1.218 19954 4981 1 8 . 1 1 56 56 LEU H H 56 7.802 7.802 7.760 0.042 19954 4982 1 8 . 1 1 57 57 CYS N N 57 119.062 119.062 117.468 1.594 19954 4983 1 8 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.232 0.008 19954 4984 1 8 . 1 1 57 57 CYS CA C 57 53.750 53.750 59.708 -5.958 19954 4985 1 8 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.947 -5.871 19954 4986 1 8 . 1 1 57 57 CYS H H 57 7.717 7.717 7.400 0.317 19954 4987 1 8 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.354 -0.009 19954 4988 1 8 . 1 1 58 58 PRO CA C 58 60.482 60.482 65.180 -4.698 19954 4989 1 8 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.013 -1.853 19954 4990 1 8 . 1 1 59 59 ASP N N 59 123.671 123.671 116.762 6.909 19954 4991 1 8 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.272 -0.355 19954 4992 1 8 . 1 1 59 59 ASP CA C 59 55.814 55.814 57.816 -2.002 19954 4993 1 8 . 1 1 59 59 ASP CB C 59 36.924 36.924 40.636 -3.712 19954 4994 1 8 . 1 1 59 59 ASP H H 59 8.696 8.696 8.501 0.195 19954 4995 1 8 . 1 1 60 60 SER N N 60 110.600 110.600 114.646 -4.046 19954 4996 1 8 . 1 1 60 60 SER HA H 60 4.103 4.103 4.083 0.020 19954 4997 1 8 . 1 1 60 60 SER CA C 60 57.379 57.379 61.393 -4.014 19954 4998 1 8 . 1 1 60 60 SER CB C 60 61.562 61.562 62.523 -0.961 19954 4999 1 8 . 1 1 60 60 SER H H 60 8.119 8.119 8.566 -0.447 19954 5000 1 8 . 1 1 61 61 HIS N N 61 122.391 122.391 120.461 1.930 19954 5001 1 8 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.218 0.415 19954 5002 1 8 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.990 -4.276 19954 5003 1 8 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.295 0.647 19954 5004 1 8 . 1 1 61 61 HIS H H 61 8.123 8.123 8.561 -0.438 19954 5005 1 8 . 1 1 62 62 LYS N N 62 121.665 121.665 119.236 2.429 19954 5006 1 8 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.251 0.444 19954 5007 1 8 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.157 -3.397 19954 5008 1 8 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.727 -1.431 19954 5009 1 8 . 1 1 62 62 LYS H H 62 7.512 7.512 6.750 0.762 19954 5010 1 8 . 1 1 63 63 LEU N N 63 117.792 117.792 119.601 -1.809 19954 5011 1 8 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.743 -0.285 19954 5012 1 8 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.206 -0.582 19954 5013 1 8 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.123 -3.074 19954 5014 1 8 . 1 1 63 63 LEU H H 63 8.136 8.136 7.200 0.936 19954 5015 1 8 . 1 1 64 64 GLY N N 64 105.340 105.340 106.040 -0.700 19954 5016 1 8 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.827 -2.280 19954 5017 1 8 . 1 1 64 64 GLY H H 64 8.616 8.616 8.382 0.234 19954 5018 1 8 . 1 1 65 65 SER N N 65 117.745 117.745 118.189 -0.444 19954 5019 1 8 . 1 1 65 65 SER HA H 65 4.265 4.265 4.410 -0.145 19954 5020 1 8 . 1 1 65 65 SER CA C 65 58.998 58.998 61.443 -2.445 19954 5021 1 8 . 1 1 65 65 SER CB C 65 67.350 67.350 63.072 4.278 19954 5022 1 8 . 1 1 65 65 SER H H 65 7.894 7.894 8.008 -0.114 19954 5023 1 8 . 1 1 66 66 LEU N N 66 124.161 124.161 121.542 2.619 19954 5024 1 8 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.942 0.359 19954 5025 1 8 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.341 -4.286 19954 5026 1 8 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.710 -3.603 19954 5027 1 8 . 1 1 66 66 LEU H H 66 7.407 7.407 7.621 -0.214 19954 5028 1 8 . 1 1 67 67 TYR N N 67 121.466 121.466 117.257 4.209 19954 5029 1 8 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.210 0.334 19954 5030 1 8 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.719 -7.280 19954 5031 1 8 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.619 -3.438 19954 5032 1 8 . 1 1 67 67 TYR H H 67 8.001 8.001 7.807 0.194 19954 5033 1 8 . 1 1 68 68 ILE N N 68 121.357 121.357 120.852 0.505 19954 5034 1 8 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.611 -0.376 19954 5035 1 8 . 1 1 68 68 ILE CA C 68 64.382 64.382 65.811 -1.429 19954 5036 1 8 . 1 1 68 68 ILE CB C 68 36.080 36.080 38.057 -1.977 19954 5037 1 8 . 1 1 68 68 ILE H H 68 7.811 7.811 8.136 -0.325 19954 5038 1 8 . 1 1 69 69 ILE N N 69 117.955 117.955 119.136 -1.181 19954 5039 1 8 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.556 -0.207 19954 5040 1 8 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.966 -2.553 19954 5041 1 8 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.572 -1.653 19954 5042 1 8 . 1 1 69 69 ILE H H 69 6.886 6.886 8.647 -1.761 19954 5043 1 8 . 1 1 70 70 ASP N N 70 118.932 118.932 120.914 -1.982 19954 5044 1 8 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.631 -0.235 19954 5045 1 8 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.446 -2.411 19954 5046 1 8 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.340 0.249 19954 5047 1 8 . 1 1 70 70 ASP H H 70 9.100 9.100 8.398 0.702 19954 5048 1 8 . 1 1 71 71 SER N N 71 110.354 110.354 117.007 -6.653 19954 5049 1 8 . 1 1 71 71 SER HA H 71 4.104 4.104 4.153 -0.049 19954 5050 1 8 . 1 1 71 71 SER CA C 71 58.746 58.746 61.516 -2.770 19954 5051 1 8 . 1 1 71 71 SER CB C 71 61.136 61.136 63.017 -1.881 19954 5052 1 8 . 1 1 71 71 SER H H 71 7.938 7.938 8.087 -0.149 19954 5053 1 8 . 1 1 72 72 ILE N N 72 117.565 117.565 122.180 -4.615 19954 5054 1 8 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.506 -0.241 19954 5055 1 8 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.715 -1.066 19954 5056 1 8 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.149 -1.385 19954 5057 1 8 . 1 1 72 72 ILE H H 72 7.912 7.912 7.805 0.107 19954 5058 1 8 . 1 1 73 73 GLY N N 73 107.350 107.350 107.636 -0.286 19954 5059 1 8 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.999 -2.252 19954 5060 1 8 . 1 1 73 73 GLY H H 73 8.847 8.847 8.411 0.436 19954 5061 1 8 . 1 1 74 74 ARG N N 74 118.068 118.068 122.793 -4.725 19954 5062 1 8 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.830 0.120 19954 5063 1 8 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.727 -0.555 19954 5064 1 8 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.010 -2.338 19954 5065 1 8 . 1 1 74 74 ARG H H 74 8.705 8.705 8.202 0.503 19954 5066 1 8 . 1 1 75 75 ALA N N 75 123.817 123.817 121.997 1.820 19954 5067 1 8 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.992 0.224 19954 5068 1 8 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.331 -2.469 19954 5069 1 8 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.479 -3.078 19954 5070 1 8 . 1 1 75 75 ALA H H 75 7.673 7.673 7.928 -0.255 19954 5071 1 8 . 1 1 76 76 TYR N N 76 119.918 119.918 119.282 0.636 19954 5072 1 8 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.246 0.291 19954 5073 1 8 . 1 1 76 76 TYR CA C 76 55.093 55.093 59.969 -4.876 19954 5074 1 8 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.527 -3.724 19954 5075 1 8 . 1 1 76 76 TYR H H 76 8.659 8.659 8.519 0.140 19954 5076 1 8 . 1 1 77 77 LEU N N 77 123.387 123.387 120.478 2.909 19954 5077 1 8 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.829 -0.015 19954 5078 1 8 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.783 -3.608 19954 5079 1 8 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.610 -1.736 19954 5080 1 8 . 1 1 77 77 LEU H H 77 8.756 8.756 8.654 0.102 19954 5081 1 8 . 1 1 78 78 ASP N N 78 120.181 120.181 118.338 1.843 19954 5082 1 8 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.255 0.040 19954 5083 1 8 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.682 -2.879 19954 5084 1 8 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.549 -2.726 19954 5085 1 8 . 1 1 78 78 ASP H H 78 7.891 7.891 8.099 -0.208 19954 5086 1 8 . 1 1 79 79 GLU N N 79 120.503 120.503 118.540 1.963 19954 5087 1 8 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.022 -0.004 19954 5088 1 8 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.167 -2.693 19954 5089 1 8 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.335 -2.131 19954 5090 1 8 . 1 1 79 79 GLU H H 79 7.502 7.502 8.389 -0.887 19954 5091 1 8 . 1 1 80 80 THR N N 80 111.013 111.013 115.925 -4.912 19954 5092 1 8 . 1 1 80 80 THR HA H 80 4.151 4.151 3.984 0.167 19954 5093 1 8 . 1 1 80 80 THR CA C 80 61.984 61.984 65.302 -3.318 19954 5094 1 8 . 1 1 80 80 THR CB C 80 67.420 67.420 68.605 -1.185 19954 5095 1 8 . 1 1 80 80 THR H H 80 7.883 7.883 8.029 -0.146 19954 5096 1 8 . 1 1 81 81 ARG N N 81 120.172 120.172 120.786 -0.614 19954 5097 1 8 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.011 0.068 19954 5098 1 8 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.959 -3.822 19954 5099 1 8 . 1 1 81 81 ARG H H 81 7.471 7.471 8.470 -0.999 19954 5100 1 8 . 1 1 82 82 SER N N 82 113.571 113.571 113.184 0.387 19954 5101 1 8 . 1 1 82 82 SER HA H 82 4.329 4.329 4.264 0.065 19954 5102 1 8 . 1 1 82 82 SER CA C 82 56.193 56.193 60.735 -4.542 19954 5103 1 8 . 1 1 82 82 SER CB C 82 72.312 72.312 63.385 8.927 19954 5104 1 8 . 1 1 82 82 SER H H 82 7.744 7.744 7.988 -0.244 19954 5105 1 8 . 1 1 83 83 ASN N N 83 119.990 119.990 116.670 3.320 19954 5106 1 8 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.942 -0.200 19954 5107 1 8 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.368 -3.205 19954 5108 1 8 . 1 1 83 83 ASN H H 83 7.792 7.792 7.796 -0.004 19954 5109 1 8 . 1 1 84 84 SER N N 84 116.799 116.799 111.900 4.899 19954 5110 1 8 . 1 1 84 84 SER HA H 84 4.291 4.291 4.609 -0.318 19954 5111 1 8 . 1 1 84 84 SER CA C 84 56.325 56.325 58.100 -1.775 19954 5112 1 8 . 1 1 84 84 SER H H 84 8.352 8.352 7.962 0.390 19954 5113 1 8 . 1 1 85 85 ASN N N 85 120.087 120.087 120.447 -0.360 19954 5114 1 8 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.980 -0.313 19954 5115 1 8 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.459 -1.651 19954 5116 1 8 . 1 1 85 85 ASN H H 85 8.362 8.362 8.587 -0.225 19954 5117 1 8 . 1 1 86 86 SER N N 86 116.068 116.068 118.576 -2.508 19954 5118 1 8 . 1 1 86 86 SER HA H 86 4.362 4.362 4.661 -0.299 19954 5119 1 8 . 1 1 86 86 SER CA C 86 55.853 55.853 58.810 -2.958 19954 5120 1 8 . 1 1 86 86 SER H H 86 8.102 8.102 8.437 -0.335 19954 5121 1 8 . 1 1 87 87 SER N N 87 117.615 117.615 119.735 -2.120 19954 5122 1 8 . 1 1 87 87 SER HA H 87 4.302 4.302 4.768 -0.466 19954 5123 1 8 . 1 1 87 87 SER CA C 87 55.608 55.608 58.339 -2.731 19954 5124 1 8 . 1 1 87 87 SER H H 87 8.269 8.269 8.708 -0.439 19954 5125 1 8 . 1 1 88 88 SER N N 88 122.455 122.455 115.540 6.915 19954 5126 1 8 . 1 1 88 88 SER CA C 88 53.710 53.710 57.717 -4.006 19954 5127 1 8 . 1 1 88 88 SER H H 88 8.377 8.377 8.304 0.073 19954 5128 1 8 . 1 1 89 89 ASN N N 89 115.430 115.430 120.080 -4.650 19954 5129 1 8 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.906 4.994 19954 5130 1 8 . 1 1 89 89 ASN H H 89 8.141 8.141 8.407 -0.266 19954 5131 1 8 . 1 1 90 90 LYS N N 90 128.071 128.071 119.374 8.697 19954 5132 1 8 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.117 -0.736 19954 5133 1 8 . 1 1 90 90 LYS H H 90 7.961 7.961 8.354 -0.393 19954 5134 1 8 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.177 -0.772 19954 5135 1 8 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.945 -2.324 19954 5136 1 8 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.174 -3.481 19954 5137 1 8 . 1 1 92 92 GLY N N 92 112.403 112.403 108.939 3.464 19954 5138 1 8 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.192 -2.887 19954 5139 1 8 . 1 1 92 92 GLY H H 92 10.139 10.139 8.868 1.271 19954 5140 1 8 . 1 1 93 93 THR N N 93 106.254 106.254 112.716 -6.462 19954 5141 1 8 . 1 1 93 93 THR HA H 93 4.527 4.527 5.042 -0.515 19954 5142 1 8 . 1 1 93 93 THR CA C 93 56.663 56.663 59.790 -3.127 19954 5143 1 8 . 1 1 93 93 THR CB C 93 70.927 70.927 72.363 -1.436 19954 5144 1 8 . 1 1 93 93 THR H H 93 7.180 7.180 7.391 -0.211 19954 5145 1 8 . 1 1 94 94 CYS N N 94 121.465 121.465 122.185 -0.720 19954 5146 1 8 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.677 -0.227 19954 5147 1 8 . 1 1 94 94 CYS CA C 94 60.867 60.867 63.959 -3.091 19954 5148 1 8 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.157 -1.911 19954 5149 1 8 . 1 1 94 94 CYS H H 94 8.777 8.777 9.002 -0.225 19954 5150 1 8 . 1 1 95 95 ALA N N 95 119.619 119.619 121.132 -1.513 19954 5151 1 8 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.811 0.031 19954 5152 1 8 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.693 -2.947 19954 5153 1 8 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.741 -2.037 19954 5154 1 8 . 1 1 95 95 ALA H H 95 8.392 8.392 8.512 -0.120 19954 5155 1 8 . 1 1 96 96 HIS N N 96 118.081 118.081 118.789 -0.708 19954 5156 1 8 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.252 -0.046 19954 5157 1 8 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.179 -1.488 19954 5158 1 8 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.877 -2.793 19954 5159 1 8 . 1 1 96 96 HIS H H 96 7.631 7.631 8.348 -0.717 19954 5160 1 8 . 1 1 97 97 ALA N N 97 123.652 123.652 122.636 1.016 19954 5161 1 8 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.092 -0.151 19954 5162 1 8 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.692 -2.534 19954 5163 1 8 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.633 -0.969 19954 5164 1 8 . 1 1 97 97 ALA H H 97 7.347 7.347 8.353 -1.006 19954 5165 1 8 . 1 1 98 98 ILE N N 98 115.278 115.278 118.587 -3.309 19954 5166 1 8 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.708 -0.184 19954 5167 1 8 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.952 -2.969 19954 5168 1 8 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.445 -1.778 19954 5169 1 8 . 1 1 98 98 ILE H H 98 7.916 7.916 8.703 -0.787 19954 5170 1 8 . 1 1 99 99 ASN N N 99 120.684 120.684 118.467 2.217 19954 5171 1 8 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.381 0.023 19954 5172 1 8 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.694 -2.555 19954 5173 1 8 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.242 -1.997 19954 5174 1 8 . 1 1 99 99 ASN H H 99 7.978 7.978 8.035 -0.057 19954 5175 1 8 . 1 1 100 100 THR N N 100 117.791 117.791 117.477 0.314 19954 5176 1 8 . 1 1 100 100 THR HA H 100 3.630 3.630 3.915 -0.285 19954 5177 1 8 . 1 1 100 100 THR CA C 100 63.899 63.899 66.251 -2.352 19954 5178 1 8 . 1 1 100 100 THR CB C 100 66.038 66.038 68.990 -2.952 19954 5179 1 8 . 1 1 100 100 THR H H 100 8.295 8.295 8.357 -0.062 19954 5180 1 8 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.891 -0.173 19954 5181 1 8 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.084 -3.659 19954 5182 1 8 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.868 -0.680 19954 5183 1 8 . 1 1 101 101 LEU H H 101 7.825 7.825 8.381 -0.556 19954 5184 1 8 . 1 1 102 102 GLY N N 102 105.767 105.767 103.310 2.457 19954 5185 1 8 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.137 -0.796 19954 5186 1 8 . 1 1 102 102 GLY H H 102 8.591 8.591 8.047 0.543 19954 5187 1 8 . 1 1 103 103 GLU N N 103 116.366 116.366 119.552 -3.186 19954 5188 1 8 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.268 -0.201 19954 5189 1 8 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.840 -2.394 19954 5190 1 8 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.124 -2.747 19954 5191 1 8 . 1 1 103 103 GLU H H 103 7.471 7.471 7.805 -0.334 19954 5192 1 8 . 1 1 104 104 VAL N N 104 108.377 108.377 113.161 -4.784 19954 5193 1 8 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.423 0.333 19954 5194 1 8 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.634 -4.779 19954 5195 1 8 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.708 -2.830 19954 5196 1 8 . 1 1 104 104 VAL H H 104 7.016 7.016 7.789 -0.773 19954 5197 1 8 . 1 1 105 105 ILE N N 105 123.784 123.784 122.886 0.898 19954 5198 1 8 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.651 0.103 19954 5199 1 8 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.517 -6.117 19954 5200 1 8 . 1 1 105 105 ILE CB C 105 35.411 35.411 38.029 -2.618 19954 5201 1 8 . 1 1 105 105 ILE H H 105 7.197 7.197 8.551 -1.354 19954 5202 1 8 . 1 1 106 106 GLN N N 106 121.117 121.117 118.473 2.644 19954 5203 1 8 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.970 -0.315 19954 5204 1 8 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.126 -0.792 19954 5205 1 8 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.393 -0.501 19954 5206 1 8 . 1 1 106 106 GLN H H 106 8.549 8.549 8.654 -0.105 19954 5207 1 8 . 1 1 107 107 GLU N N 107 122.716 122.716 121.757 0.959 19954 5208 1 8 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.081 -0.244 19954 5209 1 8 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.657 -2.069 19954 5210 1 8 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.921 -2.387 19954 5211 1 8 . 1 1 107 107 GLU H H 107 7.762 7.762 7.999 -0.237 19954 5212 1 8 . 1 1 108 108 LEU N N 108 116.615 116.615 121.350 -4.735 19954 5213 1 8 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.025 -0.046 19954 5214 1 8 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.906 -3.111 19954 5215 1 8 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.670 -3.173 19954 5216 1 8 . 1 1 108 108 LEU H H 108 8.016 8.016 7.583 0.432 19954 5217 1 8 . 1 1 109 109 LEU N N 109 118.708 118.708 119.155 -0.447 19954 5218 1 8 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.863 -0.023 19954 5219 1 8 . 1 1 109 109 LEU CA C 109 55.726 55.726 59.035 -3.309 19954 5220 1 8 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.728 -0.406 19954 5221 1 8 . 1 1 109 109 LEU H H 109 8.801 8.801 8.711 0.090 19954 5222 1 8 . 1 1 110 110 SER N N 110 114.083 114.083 114.437 -0.354 19954 5223 1 8 . 1 1 110 110 SER HA H 110 3.848 3.848 3.901 -0.053 19954 5224 1 8 . 1 1 110 110 SER CA C 110 60.127 60.127 61.862 -1.735 19954 5225 1 8 . 1 1 110 110 SER CB C 110 60.300 60.300 61.827 -1.527 19954 5226 1 8 . 1 1 110 110 SER H H 110 8.161 8.161 8.254 -0.093 19954 5227 1 8 . 1 1 111 111 ASP N N 111 120.151 120.151 123.356 -3.205 19954 5228 1 8 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.293 0.049 19954 5229 1 8 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.032 -2.265 19954 5230 1 8 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.298 -0.554 19954 5231 1 8 . 1 1 111 111 ASP H H 111 7.614 7.614 8.002 -0.388 19954 5232 1 8 . 1 1 112 112 ALA N N 112 116.927 116.927 122.680 -5.753 19954 5233 1 8 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.842 -0.253 19954 5234 1 8 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.319 -2.596 19954 5235 1 8 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.448 -0.801 19954 5236 1 8 . 1 1 112 112 ALA H H 112 7.662 7.662 8.127 -0.465 19954 5237 1 8 . 1 1 113 113 ILE N N 113 119.039 119.039 117.228 1.811 19954 5238 1 8 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.611 -0.384 19954 5239 1 8 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.474 -0.794 19954 5240 1 8 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.729 -1.570 19954 5241 1 8 . 1 1 113 113 ILE H H 113 8.681 8.681 8.233 0.448 19954 5242 1 8 . 1 1 114 114 ALA N N 114 120.055 120.055 121.886 -1.831 19954 5243 1 8 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.931 -0.024 19954 5244 1 8 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.477 -1.889 19954 5245 1 8 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.950 -2.819 19954 5246 1 8 . 1 1 114 114 ALA H H 114 7.716 7.716 7.993 -0.277 19954 5247 1 8 . 1 1 115 115 LYS N N 115 113.845 113.845 118.573 -4.728 19954 5248 1 8 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.035 0.048 19954 5249 1 8 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.986 -4.030 19954 5250 1 8 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.592 -0.959 19954 5251 1 8 . 1 1 115 115 LYS H H 115 7.248 7.248 7.881 -0.633 19954 5252 1 8 . 1 1 116 116 SER N N 116 115.794 115.794 113.167 2.627 19954 5253 1 8 . 1 1 116 116 SER HA H 116 4.503 4.503 4.302 0.201 19954 5254 1 8 . 1 1 116 116 SER CA C 116 57.848 57.848 60.100 -2.252 19954 5255 1 8 . 1 1 116 116 SER CB C 116 63.380 63.380 63.778 -0.398 19954 5256 1 8 . 1 1 116 116 SER H H 116 7.124 7.124 8.104 -0.980 19954 5257 1 8 . 1 1 117 117 ASN N N 117 119.747 119.747 121.480 -1.733 19954 5258 1 8 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.890 -0.368 19954 5259 1 8 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.308 -2.966 19954 5260 1 8 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.092 -3.810 19954 5261 1 8 . 1 1 117 117 ASN H H 117 8.457 8.457 8.059 0.398 19954 5262 1 8 . 1 1 118 118 GLN N N 118 117.591 117.591 119.086 -1.495 19954 5263 1 8 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.939 -0.162 19954 5264 1 8 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.742 -3.558 19954 5265 1 8 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.107 3.434 19954 5266 1 8 . 1 1 118 118 GLN H H 118 8.418 8.418 8.865 -0.447 19954 5267 1 8 . 1 1 119 119 ASP N N 119 119.281 119.281 118.704 0.577 19954 5268 1 8 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.663 -0.373 19954 5269 1 8 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.681 -3.088 19954 5270 1 8 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.055 -1.152 19954 5271 1 8 . 1 1 119 119 ASP H H 119 7.973 7.973 8.620 -0.647 19954 5272 1 8 . 1 1 120 120 HIS N N 120 118.871 118.871 118.365 0.506 19954 5273 1 8 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.114 0.226 19954 5274 1 8 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.700 -2.942 19954 5275 1 8 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.600 -1.872 19954 5276 1 8 . 1 1 120 120 HIS H H 120 8.702 8.702 8.081 0.621 19954 5277 1 8 . 1 1 121 121 LYS N N 121 120.739 120.739 119.151 1.588 19954 5278 1 8 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.874 -0.106 19954 5279 1 8 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.417 0.268 19954 5280 1 8 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.615 -0.691 19954 5281 1 8 . 1 1 121 121 LYS H H 121 8.990 8.990 8.727 0.263 19954 5282 1 8 . 1 1 122 122 GLU N N 122 117.889 117.889 119.634 -1.745 19954 5283 1 8 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.018 0.044 19954 5284 1 8 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.506 -3.401 19954 5285 1 8 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.245 -2.554 19954 5286 1 8 . 1 1 122 122 GLU H H 122 7.615 7.615 7.992 -0.377 19954 5287 1 8 . 1 1 123 123 LYS N N 123 119.139 119.139 119.078 0.061 19954 5288 1 8 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.111 -0.152 19954 5289 1 8 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.611 -2.009 19954 5290 1 8 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.906 -1.683 19954 5291 1 8 . 1 1 123 123 LYS H H 123 7.550 7.550 7.629 -0.079 19954 5292 1 8 . 1 1 124 124 ILE N N 124 123.103 123.103 119.777 3.326 19954 5293 1 8 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.450 -0.224 19954 5294 1 8 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.564 -1.880 19954 5295 1 8 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.407 -2.664 19954 5296 1 8 . 1 1 124 124 ILE H H 124 8.356 8.356 7.877 0.479 19954 5297 1 8 . 1 1 125 125 ARG N N 125 122.162 122.162 119.937 2.225 19954 5298 1 8 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.878 -0.772 19954 5299 1 8 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.456 -1.432 19954 5300 1 8 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.015 1.956 19954 5301 1 8 . 1 1 125 125 ARG H H 125 7.988 7.988 8.006 -0.018 19954 5302 1 8 . 1 1 126 126 MET N N 126 115.215 115.215 118.691 -3.476 19954 5303 1 8 . 1 1 126 126 MET HA H 126 3.973 3.973 4.098 -0.125 19954 5304 1 8 . 1 1 126 126 MET CA C 126 55.896 55.896 59.110 -3.214 19954 5305 1 8 . 1 1 126 126 MET CB C 126 29.856 29.856 32.442 -2.586 19954 5306 1 8 . 1 1 126 126 MET H H 126 7.455 7.455 7.752 -0.297 19954 5307 1 8 . 1 1 127 127 LEU N N 127 122.351 122.351 120.990 1.361 19954 5308 1 8 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.809 -0.257 19954 5309 1 8 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.920 -3.132 19954 5310 1 8 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.276 -1.998 19954 5311 1 8 . 1 1 127 127 LEU H H 127 7.479 7.479 7.777 -0.298 19954 5312 1 8 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.610 0.273 19954 5313 1 8 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.290 -2.943 19954 5314 1 8 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.446 -2.637 19954 5315 1 8 . 1 1 128 128 LEU H H 128 7.841 7.841 8.173 -0.332 19954 5316 1 8 . 1 1 129 129 ASP N N 129 116.915 116.915 119.307 -2.392 19954 5317 1 8 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.344 0.043 19954 5318 1 8 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.636 -5.037 19954 5319 1 8 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.808 -2.942 19954 5320 1 8 . 1 1 129 129 ASP H H 129 7.034 7.034 7.809 -0.775 19954 5321 1 8 . 1 1 130 130 ILE N N 130 124.155 124.155 120.088 4.067 19954 5322 1 8 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.660 -0.017 19954 5323 1 8 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.074 -1.698 19954 5324 1 8 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.722 -2.938 19954 5325 1 8 . 1 1 130 130 ILE H H 130 7.671 7.671 7.683 -0.012 19954 5326 1 8 . 1 1 131 131 TRP N N 131 125.421 125.421 120.538 4.883 19954 5327 1 8 . 1 1 131 131 TRP H H 131 8.831 8.831 7.935 0.896 19954 5328 1 8 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.252 3.187 19954 5329 1 8 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.153 0.330 19954 5330 1 8 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.985 -4.248 19954 5331 1 8 . 1 1 144 144 ALA N N 144 121.013 121.013 121.781 -0.768 19954 5332 1 8 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.014 0.090 19954 5333 1 8 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.817 -2.139 19954 5334 1 8 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.556 -3.180 19954 5335 1 8 . 1 1 144 144 ALA H H 144 8.212 8.212 8.174 0.038 19954 5336 1 8 . 1 1 145 145 ILE N N 145 117.646 117.646 115.663 1.983 19954 5337 1 8 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.542 0.286 19954 5338 1 8 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.981 -4.637 19954 5339 1 8 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.559 0.584 19954 5340 1 8 . 1 1 145 145 ILE H H 145 7.183 7.183 7.782 -0.599 19954 5341 1 8 . 1 1 146 146 ARG N N 146 121.150 121.150 120.746 0.404 19954 5342 1 8 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.773 0.129 19954 5343 1 8 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.649 -0.184 19954 5344 1 8 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.082 -2.299 19954 5345 1 8 . 1 1 146 146 ARG H H 146 8.477 8.477 8.198 0.279 19954 5346 1 8 . 1 1 147 147 SER N N 147 111.836 111.836 115.504 -3.668 19954 5347 1 8 . 1 1 147 147 SER HA H 147 4.162 4.162 4.219 -0.057 19954 5348 1 8 . 1 1 147 147 SER CA C 147 58.642 58.642 58.798 -0.156 19954 5349 1 8 . 1 1 147 147 SER CB C 147 60.972 60.972 62.684 -1.712 19954 5350 1 8 . 1 1 147 147 SER H H 147 8.187 8.187 7.506 0.681 19954 5351 1 8 . 1 1 148 148 LYS N N 148 118.675 118.675 127.950 -9.275 19954 5352 1 8 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.907 0.231 19954 5353 1 8 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.304 -3.287 19954 5354 1 8 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.655 0.125 19954 5355 1 8 . 1 1 148 148 LYS H H 148 7.837 7.837 8.541 -0.704 19954 5356 1 8 . 1 1 149 149 CYS N N 149 113.256 113.256 118.378 -5.122 19954 5357 1 8 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.118 0.474 19954 5358 1 8 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.000 -9.988 19954 5359 1 8 . 1 1 149 149 CYS H H 149 8.267 8.267 8.008 0.259 19954 5360 1 8 . 1 1 150 150 PHE N N 150 116.623 116.623 120.870 -4.247 19954 5361 1 8 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.016 0.928 19954 5362 1 8 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.284 -6.875 19954 5363 1 8 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.379 -0.326 19954 5364 1 8 . 1 1 150 150 PHE H H 150 7.373 7.373 8.706 -1.333 19954 5365 1 8 . 1 1 151 151 ALA N N 151 122.583 122.583 120.957 1.626 19954 5366 1 8 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.867 0.312 19954 5367 1 8 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.309 -4.668 19954 5368 1 8 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.435 -2.496 19954 5369 1 8 . 1 1 151 151 ALA H H 151 7.710 7.710 8.573 -0.863 19954 5370 1 8 . 1 1 152 152 MET N N 152 118.250 118.250 116.028 2.222 19954 5371 1 8 . 1 1 152 152 MET HA H 152 4.262 4.262 3.984 0.278 19954 5372 1 8 . 1 1 152 152 MET CA C 152 53.482 53.482 58.927 -5.445 19954 5373 1 8 . 1 1 152 152 MET CB C 152 30.488 30.488 31.782 -1.294 19954 5374 1 8 . 1 1 152 152 MET H H 152 8.086 8.086 8.053 0.033 19954 5375 1 8 . 1 1 153 153 ASP N N 153 121.780 121.780 118.348 3.432 19954 5376 1 8 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.368 0.110 19954 5377 1 8 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.936 -5.310 19954 5378 1 8 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.518 -3.058 19954 5379 1 8 . 1 1 153 153 ASP H H 153 8.299 8.299 8.059 0.240 19954 5380 1 8 . 1 1 154 154 LEU N N 154 122.337 122.337 116.995 5.342 19954 5381 1 8 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.086 0.022 19954 5382 1 8 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.689 -3.836 19954 5383 1 8 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.372 -1.656 19954 5384 1 8 . 1 1 154 154 LEU H H 154 8.072 8.072 7.663 0.409 19954 5385 1 8 . 1 1 155 155 GLU N N 155 119.995 119.995 117.480 2.515 19954 5386 1 8 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.151 -0.156 19954 5387 1 8 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.194 -2.895 19954 5388 1 8 . 1 1 155 155 GLU CB C 155 27.634 27.634 30.529 -2.895 19954 5389 1 8 . 1 1 155 155 GLU H H 155 8.151 8.151 7.910 0.241 19954 5390 1 8 . 1 1 156 156 HIS N N 156 118.980 118.980 118.592 0.388 19954 5391 1 8 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.459 -0.239 19954 5392 1 8 . 1 1 156 156 HIS CA C 156 53.443 53.443 57.764 -4.322 19954 5393 1 8 . 1 1 156 156 HIS H H 156 8.007 8.007 8.665 -0.658 19954 5394 1 8 . 1 1 157 157 HIS N N 157 121.956 121.956 118.572 3.384 19954 5395 1 8 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.456 -0.045 19954 5396 1 8 . 1 1 157 157 HIS CA C 157 53.252 53.252 56.544 -3.292 19954 5397 1 8 . 1 1 157 157 HIS H H 157 8.580 8.580 8.081 0.499 19954 5398 1 8 . 1 1 158 158 HIS N N 158 125.474 125.474 119.264 6.210 19954 5399 1 8 . 1 1 158 158 HIS CA C 158 54.628 54.628 56.756 -2.128 19954 5400 1 8 . 1 1 158 158 HIS H H 158 7.906 7.906 8.196 -0.290 19954 5401 1 9 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.541 -0.226 19954 5402 1 9 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.073 -3.359 19954 5403 1 9 . 1 1 5 5 ASP N N 5 120.880 120.880 116.902 3.978 19954 5404 1 9 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.506 -0.052 19954 5405 1 9 . 1 1 5 5 ASP CA C 5 52.575 52.575 54.678 -2.103 19954 5406 1 9 . 1 1 5 5 ASP CB C 5 38.724 38.724 40.513 -1.789 19954 5407 1 9 . 1 1 5 5 ASP H H 5 8.277 8.277 8.300 -0.023 19954 5408 1 9 . 1 1 6 6 ASP N N 6 120.876 120.876 118.021 2.855 19954 5409 1 9 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.630 -0.147 19954 5410 1 9 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.420 -0.459 19954 5411 1 9 . 1 1 6 6 ASP CB C 6 38.558 38.558 41.743 -3.185 19954 5412 1 9 . 1 1 6 6 ASP H H 6 8.497 8.497 7.895 0.602 19954 5413 1 9 . 1 1 7 7 PHE N N 7 122.789 122.789 120.156 2.633 19954 5414 1 9 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.291 -0.182 19954 5415 1 9 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.820 -1.950 19954 5416 1 9 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.499 -2.832 19954 5417 1 9 . 1 1 7 7 PHE H H 7 8.337 8.337 8.694 -0.357 19954 5418 1 9 . 1 1 8 8 GLN N N 8 116.255 116.255 119.427 -3.172 19954 5419 1 9 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.817 -0.068 19954 5420 1 9 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.632 -3.906 19954 5421 1 9 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.054 -3.266 19954 5422 1 9 . 1 1 8 8 GLN H H 8 8.488 8.488 8.669 -0.181 19954 5423 1 9 . 1 1 9 9 ASN N N 9 118.242 118.242 117.846 0.396 19954 5424 1 9 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.325 -0.011 19954 5425 1 9 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.330 -2.755 19954 5426 1 9 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.360 -2.107 19954 5427 1 9 . 1 1 9 9 ASN H H 9 7.801 7.801 7.777 0.024 19954 5428 1 9 . 1 1 10 10 PHE N N 10 124.982 124.982 121.193 3.789 19954 5429 1 9 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.732 -0.278 19954 5430 1 9 . 1 1 10 10 PHE CA C 10 58.994 58.994 60.879 -1.885 19954 5431 1 9 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.195 -3.160 19954 5432 1 9 . 1 1 10 10 PHE H H 10 6.924 6.924 6.840 0.084 19954 5433 1 9 . 1 1 11 11 VAL N N 11 118.513 118.513 118.518 -0.005 19954 5434 1 9 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.004 -0.170 19954 5435 1 9 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.495 -2.264 19954 5436 1 9 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.338 -1.260 19954 5437 1 9 . 1 1 11 11 VAL H H 11 7.448 7.448 7.815 -0.367 19954 5438 1 9 . 1 1 12 12 ALA N N 12 119.214 119.214 120.969 -1.755 19954 5439 1 9 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.814 0.070 19954 5440 1 9 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.609 -3.183 19954 5441 1 9 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.952 -2.303 19954 5442 1 9 . 1 1 12 12 ALA H H 12 8.028 8.028 8.362 -0.334 19954 5443 1 9 . 1 1 13 13 THR N N 13 116.435 116.435 116.248 0.187 19954 5444 1 9 . 1 1 13 13 THR HA H 13 3.624 3.624 3.803 -0.179 19954 5445 1 9 . 1 1 13 13 THR CA C 13 64.041 64.041 66.531 -2.490 19954 5446 1 9 . 1 1 13 13 THR CB C 13 65.118 65.118 68.631 -3.513 19954 5447 1 9 . 1 1 13 13 THR H H 13 7.638 7.638 7.643 -0.005 19954 5448 1 9 . 1 1 14 14 LEU N N 14 126.284 126.284 121.832 4.452 19954 5449 1 9 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.736 -0.106 19954 5450 1 9 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.975 -2.488 19954 5451 1 9 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.233 -2.381 19954 5452 1 9 . 1 1 14 14 LEU H H 14 7.975 7.975 7.482 0.493 19954 5453 1 9 . 1 1 15 15 GLU N N 15 116.145 116.145 118.163 -2.018 19954 5454 1 9 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.879 -0.062 19954 5455 1 9 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.756 -3.362 19954 5456 1 9 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.050 -2.142 19954 5457 1 9 . 1 1 15 15 GLU H H 15 8.503 8.503 8.512 -0.009 19954 5458 1 9 . 1 1 16 16 SER N N 16 114.452 114.452 114.341 0.111 19954 5459 1 9 . 1 1 16 16 SER HA H 16 4.196 4.196 4.192 0.004 19954 5460 1 9 . 1 1 16 16 SER CA C 16 58.515 58.515 61.231 -2.716 19954 5461 1 9 . 1 1 16 16 SER CB C 16 60.155 60.155 63.017 -2.862 19954 5462 1 9 . 1 1 16 16 SER H H 16 7.643 7.643 7.949 -0.306 19954 5463 1 9 . 1 1 17 17 PHE N N 17 124.020 124.020 122.373 1.647 19954 5464 1 9 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.094 -0.270 19954 5465 1 9 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.073 -1.738 19954 5466 1 9 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.710 -1.856 19954 5467 1 9 . 1 1 17 17 PHE H H 17 8.082 8.082 8.016 0.066 19954 5468 1 9 . 1 1 18 18 LYS N N 18 116.570 116.570 117.950 -1.380 19954 5469 1 9 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.117 -0.170 19954 5470 1 9 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.019 -2.164 19954 5471 1 9 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.907 -2.455 19954 5472 1 9 . 1 1 18 18 LYS H H 18 7.849 7.849 7.826 0.023 19954 5473 1 9 . 1 1 19 19 ASP N N 19 116.332 116.332 119.537 -3.205 19954 5474 1 9 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.528 0.011 19954 5475 1 9 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.590 -3.433 19954 5476 1 9 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.399 -2.696 19954 5477 1 9 . 1 1 19 19 ASP H H 19 7.276 7.276 7.626 -0.350 19954 5478 1 9 . 1 1 20 20 LEU N N 20 119.769 119.769 117.738 2.031 19954 5479 1 9 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.463 -0.064 19954 5480 1 9 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.447 -4.448 19954 5481 1 9 . 1 1 20 20 LEU H H 20 7.226 7.226 7.496 -0.270 19954 5482 1 9 . 1 1 21 21 LYS N N 21 126.041 126.041 118.934 7.107 19954 5483 1 9 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.742 -0.679 19954 5484 1 9 . 1 1 21 21 LYS CA C 21 56.849 56.849 55.952 0.897 19954 5485 1 9 . 1 1 21 21 LYS CB C 21 31.634 31.634 31.285 0.349 19954 5486 1 9 . 1 1 21 21 LYS H H 21 9.203 9.203 8.563 0.640 19954 5487 1 9 . 1 1 22 22 SER N N 22 109.885 109.885 114.830 -4.945 19954 5488 1 9 . 1 1 22 22 SER HA H 22 4.322 4.322 4.520 -0.198 19954 5489 1 9 . 1 1 22 22 SER CA C 22 55.254 55.254 58.044 -2.790 19954 5490 1 9 . 1 1 22 22 SER CB C 22 62.254 62.254 63.903 -1.649 19954 5491 1 9 . 1 1 22 22 SER H H 22 8.607 8.607 7.789 0.818 19954 5492 1 9 . 1 1 23 23 GLY N N 23 106.286 106.286 109.544 -3.258 19954 5493 1 9 . 1 1 23 23 GLY CA C 23 43.980 43.980 45.056 -1.076 19954 5494 1 9 . 1 1 23 23 GLY H H 23 6.619 6.619 8.721 -2.102 19954 5495 1 9 . 1 1 24 24 ILE N N 24 118.883 118.883 119.588 -0.705 19954 5496 1 9 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.848 -0.864 19954 5497 1 9 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.983 -1.815 19954 5498 1 9 . 1 1 24 24 ILE CB C 24 39.646 39.646 42.058 -2.412 19954 5499 1 9 . 1 1 24 24 ILE H H 24 7.929 7.929 7.471 0.458 19954 5500 1 9 . 1 1 25 25 SER N N 25 117.952 117.952 119.477 -1.525 19954 5501 1 9 . 1 1 25 25 SER HA H 25 5.093 5.093 4.491 0.602 19954 5502 1 9 . 1 1 25 25 SER CA C 25 52.534 52.534 56.921 -4.387 19954 5503 1 9 . 1 1 25 25 SER CB C 25 61.938 61.938 64.452 -2.514 19954 5504 1 9 . 1 1 25 25 SER H H 25 5.660 5.660 8.410 -2.750 19954 5505 1 9 . 1 1 26 26 GLY N N 26 120.266 120.266 114.363 5.903 19954 5506 1 9 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.291 -1.804 19954 5507 1 9 . 1 1 26 26 GLY H H 26 8.596 8.596 8.840 -0.244 19954 5508 1 9 . 1 1 27 27 SER N N 27 120.500 120.500 117.181 3.319 19954 5509 1 9 . 1 1 27 27 SER HA H 27 4.410 4.410 4.090 0.320 19954 5510 1 9 . 1 1 27 27 SER CA C 27 58.793 58.793 62.028 -3.235 19954 5511 1 9 . 1 1 27 27 SER CB C 27 62.224 62.224 62.756 -0.532 19954 5512 1 9 . 1 1 27 27 SER H H 27 9.846 9.846 8.521 1.325 19954 5513 1 9 . 1 1 28 28 ARG N N 28 123.779 123.779 120.603 3.176 19954 5514 1 9 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.933 -0.048 19954 5515 1 9 . 1 1 28 28 ARG CA C 28 56.840 56.840 58.963 -2.123 19954 5516 1 9 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.324 -1.210 19954 5517 1 9 . 1 1 28 28 ARG H H 28 8.034 8.034 7.757 0.277 19954 5518 1 9 . 1 1 29 29 ILE N N 29 120.700 120.700 120.388 0.312 19954 5519 1 9 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.622 -0.150 19954 5520 1 9 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.339 -0.710 19954 5521 1 9 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.434 -1.766 19954 5522 1 9 . 1 1 29 29 ILE H H 29 8.374 8.374 8.016 0.358 19954 5523 1 9 . 1 1 30 30 LYS N N 30 124.209 124.209 120.648 3.561 19954 5524 1 9 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.907 0.121 19954 5525 1 9 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.357 -2.956 19954 5526 1 9 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.262 -2.982 19954 5527 1 9 . 1 1 30 30 LYS H H 30 8.231 8.231 8.423 -0.192 19954 5528 1 9 . 1 1 31 31 LYS N N 31 120.422 120.422 119.504 0.918 19954 5529 1 9 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.060 -0.022 19954 5530 1 9 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.380 -1.762 19954 5531 1 9 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.051 -1.882 19954 5532 1 9 . 1 1 31 31 LYS H H 31 7.449 7.449 7.774 -0.325 19954 5533 1 9 . 1 1 32 32 LEU N N 32 118.348 118.348 119.509 -1.161 19954 5534 1 9 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.159 -0.098 19954 5535 1 9 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.785 -3.375 19954 5536 1 9 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.552 -1.770 19954 5537 1 9 . 1 1 32 32 LEU H H 32 8.186 8.186 8.163 0.023 19954 5538 1 9 . 1 1 33 33 THR N N 33 116.500 116.500 115.565 0.935 19954 5539 1 9 . 1 1 33 33 THR HA H 33 3.662 3.662 3.931 -0.269 19954 5540 1 9 . 1 1 33 33 THR CA C 33 64.726 64.726 67.609 -2.883 19954 5541 1 9 . 1 1 33 33 THR CB C 33 66.097 66.097 68.413 -2.316 19954 5542 1 9 . 1 1 33 33 THR H H 33 8.066 8.066 8.643 -0.577 19954 5543 1 9 . 1 1 34 34 THR N N 34 119.029 119.029 117.534 1.495 19954 5544 1 9 . 1 1 34 34 THR HA H 34 3.759 3.759 3.954 -0.195 19954 5545 1 9 . 1 1 34 34 THR CA C 34 64.291 64.291 66.129 -1.838 19954 5546 1 9 . 1 1 34 34 THR CB C 34 66.733 66.733 68.834 -2.101 19954 5547 1 9 . 1 1 34 34 THR H H 34 8.685 8.685 8.062 0.623 19954 5548 1 9 . 1 1 35 35 TYR N N 35 120.298 120.298 122.459 -2.161 19954 5549 1 9 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.125 0.077 19954 5550 1 9 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.840 -1.686 19954 5551 1 9 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.193 -2.183 19954 5552 1 9 . 1 1 35 35 TYR H H 35 7.663 7.663 8.232 -0.569 19954 5553 1 9 . 1 1 36 36 ALA N N 36 121.480 121.480 122.162 -0.682 19954 5554 1 9 . 1 1 36 36 ALA HA H 36 3.912 3.912 4.064 -0.152 19954 5555 1 9 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.094 -1.958 19954 5556 1 9 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.377 -3.504 19954 5557 1 9 . 1 1 36 36 ALA H H 36 8.543 8.543 8.572 -0.029 19954 5558 1 9 . 1 1 37 37 LEU N N 37 120.767 120.767 119.273 1.494 19954 5559 1 9 . 1 1 37 37 LEU HA H 37 4.103 4.103 4.000 0.103 19954 5560 1 9 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.530 -3.690 19954 5561 1 9 . 1 1 37 37 LEU CB C 37 40.182 40.182 42.110 -1.928 19954 5562 1 9 . 1 1 37 37 LEU H H 37 8.351 8.351 8.206 0.145 19954 5563 1 9 . 1 1 38 38 ASP N N 38 119.008 119.008 117.998 1.010 19954 5564 1 9 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.211 0.245 19954 5565 1 9 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.088 -3.948 19954 5566 1 9 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.057 -2.158 19954 5567 1 9 . 1 1 38 38 ASP H H 38 7.557 7.557 8.027 -0.470 19954 5568 1 9 . 1 1 39 39 HIS N N 39 118.142 118.142 117.115 1.027 19954 5569 1 9 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.663 -0.038 19954 5570 1 9 . 1 1 39 39 HIS CA C 39 52.146 52.146 55.057 -2.911 19954 5571 1 9 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.947 -4.441 19954 5572 1 9 . 1 1 39 39 HIS H H 39 7.094 7.094 7.781 -0.687 19954 5573 1 9 . 1 1 40 40 ILE N N 40 121.885 121.885 122.262 -0.377 19954 5574 1 9 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.887 -0.461 19954 5575 1 9 . 1 1 40 40 ILE CA C 40 62.593 62.593 60.959 1.634 19954 5576 1 9 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.399 -1.226 19954 5577 1 9 . 1 1 40 40 ILE H H 40 7.630 7.630 8.218 -0.588 19954 5578 1 9 . 1 1 41 41 ASP N N 41 114.814 114.814 118.256 -3.442 19954 5579 1 9 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.587 -0.401 19954 5580 1 9 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.431 -0.415 19954 5581 1 9 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.448 -3.612 19954 5582 1 9 . 1 1 41 41 ASP H H 41 8.433 8.433 8.521 -0.088 19954 5583 1 9 . 1 1 42 42 ILE N N 42 113.793 113.793 112.214 1.579 19954 5584 1 9 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.581 0.131 19954 5585 1 9 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.433 -2.192 19954 5586 1 9 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.294 -3.398 19954 5587 1 9 . 1 1 42 42 ILE H H 42 7.447 7.447 7.292 0.155 19954 5588 1 9 . 1 1 43 43 GLU N N 43 120.845 120.845 122.893 -2.048 19954 5589 1 9 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.155 -0.109 19954 5590 1 9 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.680 -2.912 19954 5591 1 9 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.728 -4.711 19954 5592 1 9 . 1 1 43 43 GLU H H 43 8.195 8.195 8.017 0.178 19954 5593 1 9 . 1 1 44 44 SER N N 44 113.781 113.781 116.121 -2.340 19954 5594 1 9 . 1 1 44 44 SER HA H 44 3.944 3.944 4.147 -0.203 19954 5595 1 9 . 1 1 44 44 SER CA C 44 59.590 59.590 62.065 -2.475 19954 5596 1 9 . 1 1 44 44 SER CB C 44 59.878 59.878 62.914 -3.036 19954 5597 1 9 . 1 1 44 44 SER H H 44 8.728 8.728 8.551 0.177 19954 5598 1 9 . 1 1 45 45 LYS N N 45 121.258 121.258 119.983 1.275 19954 5599 1 9 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.013 0.066 19954 5600 1 9 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.936 -2.746 19954 5601 1 9 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.412 -0.935 19954 5602 1 9 . 1 1 45 45 LYS H H 45 7.329 7.329 8.406 -1.077 19954 5603 1 9 . 1 1 46 46 ILE N N 46 121.022 121.022 121.705 -0.683 19954 5604 1 9 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.751 -0.388 19954 5605 1 9 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.033 -1.776 19954 5606 1 9 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.644 -0.752 19954 5607 1 9 . 1 1 46 46 ILE H H 46 7.360 7.360 7.992 -0.632 19954 5608 1 9 . 1 1 47 47 ILE N N 47 118.543 118.543 119.488 -0.945 19954 5609 1 9 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.633 0.106 19954 5610 1 9 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.209 -5.552 19954 5611 1 9 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.394 -4.266 19954 5612 1 9 . 1 1 47 47 ILE H H 47 9.378 9.378 8.223 1.155 19954 5613 1 9 . 1 1 48 48 SER N N 48 113.001 113.001 115.248 -2.247 19954 5614 1 9 . 1 1 48 48 SER HA H 48 4.016 4.016 4.178 -0.162 19954 5615 1 9 . 1 1 48 48 SER CA C 48 59.574 59.574 62.367 -2.793 19954 5616 1 9 . 1 1 48 48 SER CB C 48 60.341 60.341 62.986 -2.645 19954 5617 1 9 . 1 1 48 48 SER H H 48 7.382 7.382 8.670 -1.288 19954 5618 1 9 . 1 1 49 49 LEU N N 49 120.059 120.059 123.061 -3.002 19954 5619 1 9 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.184 -0.014 19954 5620 1 9 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.418 -2.752 19954 5621 1 9 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.089 -2.339 19954 5622 1 9 . 1 1 49 49 LEU H H 49 7.477 7.477 8.292 -0.815 19954 5623 1 9 . 1 1 50 50 ILE N N 50 115.429 115.429 117.520 -2.091 19954 5624 1 9 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.466 0.627 19954 5625 1 9 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.019 -2.215 19954 5626 1 9 . 1 1 50 50 ILE H H 50 8.081 8.081 7.865 0.216 19954 5627 1 9 . 1 1 51 51 ILE N N 51 125.106 125.106 122.045 3.061 19954 5628 1 9 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.588 -0.133 19954 5629 1 9 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.108 -1.960 19954 5630 1 9 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.709 -1.990 19954 5631 1 9 . 1 1 51 51 ILE H H 51 8.194 8.194 8.083 0.111 19954 5632 1 9 . 1 1 52 52 ASP N N 52 119.519 119.519 119.304 0.215 19954 5633 1 9 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.332 -0.088 19954 5634 1 9 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.077 -3.093 19954 5635 1 9 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.047 -3.182 19954 5636 1 9 . 1 1 52 52 ASP H H 52 7.850 7.850 8.280 -0.430 19954 5637 1 9 . 1 1 53 53 TYR N N 53 118.402 118.402 120.407 -2.005 19954 5638 1 9 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.211 -0.319 19954 5639 1 9 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.172 -1.427 19954 5640 1 9 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.555 -2.691 19954 5641 1 9 . 1 1 53 53 TYR H H 53 8.260 8.260 8.645 -0.385 19954 5642 1 9 . 1 1 54 54 SER N N 54 111.626 111.626 116.448 -4.822 19954 5643 1 9 . 1 1 54 54 SER HA H 54 4.058 4.058 4.225 -0.167 19954 5644 1 9 . 1 1 54 54 SER CA C 54 58.733 58.733 61.043 -2.310 19954 5645 1 9 . 1 1 54 54 SER CB C 54 62.430 62.430 63.547 -1.117 19954 5646 1 9 . 1 1 54 54 SER H H 54 7.316 7.316 8.050 -0.734 19954 5647 1 9 . 1 1 55 55 ARG N N 55 114.937 114.937 122.215 -7.278 19954 5648 1 9 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.071 0.101 19954 5649 1 9 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.906 -1.633 19954 5650 1 9 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.407 -1.157 19954 5651 1 9 . 1 1 55 55 ARG H H 55 7.901 7.901 7.677 0.224 19954 5652 1 9 . 1 1 56 56 LEU N N 56 116.307 116.307 120.091 -3.784 19954 5653 1 9 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.949 0.254 19954 5654 1 9 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.212 -4.412 19954 5655 1 9 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.033 -1.165 19954 5656 1 9 . 1 1 56 56 LEU H H 56 7.802 7.802 7.947 -0.145 19954 5657 1 9 . 1 1 57 57 CYS N N 57 119.062 119.062 114.378 4.684 19954 5658 1 9 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.415 -0.175 19954 5659 1 9 . 1 1 57 57 CYS CA C 57 53.750 53.750 56.750 -3.000 19954 5660 1 9 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.549 -5.473 19954 5661 1 9 . 1 1 57 57 CYS H H 57 7.717 7.717 7.319 0.398 19954 5662 1 9 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.446 -0.101 19954 5663 1 9 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.570 -2.088 19954 5664 1 9 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.429 -2.269 19954 5665 1 9 . 1 1 59 59 ASP N N 59 123.671 123.671 118.903 4.768 19954 5666 1 9 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.101 -0.184 19954 5667 1 9 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.037 -2.223 19954 5668 1 9 . 1 1 59 59 ASP CB C 59 36.924 36.924 40.072 -3.148 19954 5669 1 9 . 1 1 59 59 ASP H H 59 8.696 8.696 8.912 -0.216 19954 5670 1 9 . 1 1 60 60 SER N N 60 110.600 110.600 115.198 -4.598 19954 5671 1 9 . 1 1 60 60 SER HA H 60 4.103 4.103 4.060 0.043 19954 5672 1 9 . 1 1 60 60 SER CA C 60 57.379 57.379 62.197 -4.818 19954 5673 1 9 . 1 1 60 60 SER CB C 60 61.562 61.562 62.566 -1.004 19954 5674 1 9 . 1 1 60 60 SER H H 60 8.119 8.119 8.550 -0.431 19954 5675 1 9 . 1 1 61 61 HIS N N 61 122.391 122.391 120.301 2.090 19954 5676 1 9 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.274 0.359 19954 5677 1 9 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.683 -3.969 19954 5678 1 9 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.521 0.421 19954 5679 1 9 . 1 1 61 61 HIS H H 61 8.123 8.123 7.985 0.138 19954 5680 1 9 . 1 1 62 62 LYS N N 62 121.665 121.665 119.911 1.754 19954 5681 1 9 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.935 -0.240 19954 5682 1 9 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.834 -4.074 19954 5683 1 9 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.117 -1.821 19954 5684 1 9 . 1 1 62 62 LYS H H 62 7.512 7.512 8.223 -0.711 19954 5685 1 9 . 1 1 63 63 LEU N N 63 117.792 117.792 120.367 -2.575 19954 5686 1 9 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.892 -0.434 19954 5687 1 9 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.828 -1.203 19954 5688 1 9 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.366 -3.317 19954 5689 1 9 . 1 1 63 63 LEU H H 63 8.136 8.136 8.424 -0.288 19954 5690 1 9 . 1 1 64 64 GLY N N 64 105.340 105.340 105.141 0.199 19954 5691 1 9 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.292 -1.745 19954 5692 1 9 . 1 1 64 64 GLY H H 64 8.616 8.616 7.800 0.816 19954 5693 1 9 . 1 1 65 65 SER N N 65 117.745 117.745 118.178 -0.433 19954 5694 1 9 . 1 1 65 65 SER HA H 65 4.265 4.265 3.961 0.304 19954 5695 1 9 . 1 1 65 65 SER CA C 65 58.998 58.998 61.898 -2.900 19954 5696 1 9 . 1 1 65 65 SER CB C 65 67.350 67.350 63.135 4.215 19954 5697 1 9 . 1 1 65 65 SER H H 65 7.894 7.894 8.471 -0.577 19954 5698 1 9 . 1 1 66 66 LEU N N 66 124.161 124.161 122.812 1.349 19954 5699 1 9 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.001 0.300 19954 5700 1 9 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.293 -4.238 19954 5701 1 9 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.469 -3.362 19954 5702 1 9 . 1 1 66 66 LEU H H 66 7.407 7.407 8.092 -0.685 19954 5703 1 9 . 1 1 67 67 TYR N N 67 121.466 121.466 117.613 3.853 19954 5704 1 9 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.229 0.315 19954 5705 1 9 . 1 1 67 67 TYR CA C 67 53.439 53.439 59.941 -6.502 19954 5706 1 9 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.459 -3.278 19954 5707 1 9 . 1 1 67 67 TYR H H 67 8.001 8.001 7.714 0.287 19954 5708 1 9 . 1 1 68 68 ILE N N 68 121.357 121.357 120.259 1.098 19954 5709 1 9 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.583 -0.348 19954 5710 1 9 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.107 -1.725 19954 5711 1 9 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.861 -1.781 19954 5712 1 9 . 1 1 68 68 ILE H H 68 7.811 7.811 7.839 -0.028 19954 5713 1 9 . 1 1 69 69 ILE N N 69 117.955 117.955 119.535 -1.580 19954 5714 1 9 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.489 -0.140 19954 5715 1 9 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.589 -2.176 19954 5716 1 9 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.420 -1.501 19954 5717 1 9 . 1 1 69 69 ILE H H 69 6.886 6.886 8.574 -1.688 19954 5718 1 9 . 1 1 70 70 ASP N N 70 118.932 118.932 120.339 -1.407 19954 5719 1 9 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.024 0.372 19954 5720 1 9 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.903 -1.868 19954 5721 1 9 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.916 0.673 19954 5722 1 9 . 1 1 70 70 ASP H H 70 9.100 9.100 8.378 0.722 19954 5723 1 9 . 1 1 71 71 SER N N 71 110.354 110.354 115.561 -5.207 19954 5724 1 9 . 1 1 71 71 SER HA H 71 4.104 4.104 4.176 -0.072 19954 5725 1 9 . 1 1 71 71 SER CA C 71 58.746 58.746 61.568 -2.822 19954 5726 1 9 . 1 1 71 71 SER CB C 71 61.136 61.136 63.033 -1.897 19954 5727 1 9 . 1 1 71 71 SER H H 71 7.938 7.938 7.721 0.217 19954 5728 1 9 . 1 1 72 72 ILE N N 72 117.565 117.565 120.967 -3.402 19954 5729 1 9 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.543 -0.278 19954 5730 1 9 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.094 -1.445 19954 5731 1 9 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.451 -1.687 19954 5732 1 9 . 1 1 72 72 ILE H H 72 7.912 7.912 7.788 0.124 19954 5733 1 9 . 1 1 73 73 GLY N N 73 107.350 107.350 107.690 -0.340 19954 5734 1 9 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.110 -2.363 19954 5735 1 9 . 1 1 73 73 GLY H H 73 8.847 8.847 8.510 0.337 19954 5736 1 9 . 1 1 74 74 ARG N N 74 118.068 118.068 122.139 -4.071 19954 5737 1 9 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.728 0.222 19954 5738 1 9 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.753 -0.581 19954 5739 1 9 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.085 -2.413 19954 5740 1 9 . 1 1 74 74 ARG H H 74 8.705 8.705 7.932 0.773 19954 5741 1 9 . 1 1 75 75 ALA N N 75 123.817 123.817 122.059 1.758 19954 5742 1 9 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.023 0.193 19954 5743 1 9 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.301 -2.439 19954 5744 1 9 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.477 -3.076 19954 5745 1 9 . 1 1 75 75 ALA H H 75 7.673 7.673 7.917 -0.244 19954 5746 1 9 . 1 1 76 76 TYR N N 76 119.918 119.918 119.449 0.469 19954 5747 1 9 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.272 0.265 19954 5748 1 9 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.075 -4.982 19954 5749 1 9 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.582 -3.779 19954 5750 1 9 . 1 1 76 76 TYR H H 76 8.659 8.659 8.584 0.075 19954 5751 1 9 . 1 1 77 77 LEU N N 77 123.387 123.387 120.457 2.930 19954 5752 1 9 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.892 -0.078 19954 5753 1 9 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.815 -3.640 19954 5754 1 9 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.896 -2.022 19954 5755 1 9 . 1 1 77 77 LEU H H 77 8.756 8.756 8.858 -0.102 19954 5756 1 9 . 1 1 78 78 ASP N N 78 120.181 120.181 118.365 1.816 19954 5757 1 9 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.274 0.021 19954 5758 1 9 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.631 -2.828 19954 5759 1 9 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.521 -2.698 19954 5760 1 9 . 1 1 78 78 ASP H H 78 7.891 7.891 8.150 -0.259 19954 5761 1 9 . 1 1 79 79 GLU N N 79 120.503 120.503 119.029 1.474 19954 5762 1 9 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.054 -0.036 19954 5763 1 9 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.186 -2.712 19954 5764 1 9 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.370 -2.166 19954 5765 1 9 . 1 1 79 79 GLU H H 79 7.502 7.502 8.424 -0.922 19954 5766 1 9 . 1 1 80 80 THR N N 80 111.013 111.013 115.629 -4.616 19954 5767 1 9 . 1 1 80 80 THR HA H 80 4.151 4.151 4.012 0.139 19954 5768 1 9 . 1 1 80 80 THR CA C 80 61.984 61.984 65.251 -3.267 19954 5769 1 9 . 1 1 80 80 THR CB C 80 67.420 67.420 68.615 -1.195 19954 5770 1 9 . 1 1 80 80 THR H H 80 7.883 7.883 7.997 -0.114 19954 5771 1 9 . 1 1 81 81 ARG N N 81 120.172 120.172 121.052 -0.880 19954 5772 1 9 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.094 -0.015 19954 5773 1 9 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.969 -3.832 19954 5774 1 9 . 1 1 81 81 ARG H H 81 7.471 7.471 8.525 -1.054 19954 5775 1 9 . 1 1 82 82 SER N N 82 113.571 113.571 112.124 1.447 19954 5776 1 9 . 1 1 82 82 SER HA H 82 4.329 4.329 4.269 0.060 19954 5777 1 9 . 1 1 82 82 SER CA C 82 56.193 56.193 60.839 -4.646 19954 5778 1 9 . 1 1 82 82 SER CB C 82 72.312 72.312 63.319 8.993 19954 5779 1 9 . 1 1 82 82 SER H H 82 7.744 7.744 7.972 -0.228 19954 5780 1 9 . 1 1 83 83 ASN N N 83 119.990 119.990 117.146 2.844 19954 5781 1 9 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.924 -0.182 19954 5782 1 9 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.766 -3.603 19954 5783 1 9 . 1 1 83 83 ASN H H 83 7.792 7.792 7.961 -0.169 19954 5784 1 9 . 1 1 84 84 SER N N 84 116.799 116.799 113.984 2.815 19954 5785 1 9 . 1 1 84 84 SER HA H 84 4.291 4.291 4.596 -0.305 19954 5786 1 9 . 1 1 84 84 SER CA C 84 56.325 56.325 58.244 -1.919 19954 5787 1 9 . 1 1 84 84 SER H H 84 8.352 8.352 8.131 0.221 19954 5788 1 9 . 1 1 85 85 ASN N N 85 120.087 120.087 120.381 -0.294 19954 5789 1 9 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.837 -0.170 19954 5790 1 9 . 1 1 85 85 ASN CA C 85 50.808 50.808 51.491 -0.683 19954 5791 1 9 . 1 1 85 85 ASN H H 85 8.362 8.362 8.485 -0.123 19954 5792 1 9 . 1 1 86 86 SER N N 86 116.068 116.068 118.944 -2.876 19954 5793 1 9 . 1 1 86 86 SER HA H 86 4.362 4.362 4.239 0.123 19954 5794 1 9 . 1 1 86 86 SER CA C 86 55.853 55.853 59.593 -3.740 19954 5795 1 9 . 1 1 86 86 SER H H 86 8.102 8.102 7.958 0.144 19954 5796 1 9 . 1 1 87 87 SER N N 87 117.615 117.615 119.186 -1.571 19954 5797 1 9 . 1 1 87 87 SER HA H 87 4.302 4.302 4.572 -0.270 19954 5798 1 9 . 1 1 87 87 SER CA C 87 55.608 55.608 58.688 -3.080 19954 5799 1 9 . 1 1 87 87 SER H H 87 8.269 8.269 8.180 0.089 19954 5800 1 9 . 1 1 88 88 SER N N 88 122.455 122.455 117.453 5.002 19954 5801 1 9 . 1 1 88 88 SER CA C 88 53.710 53.710 57.966 -4.256 19954 5802 1 9 . 1 1 88 88 SER H H 88 8.377 8.377 8.055 0.323 19954 5803 1 9 . 1 1 89 89 ASN N N 89 115.430 115.430 120.616 -5.186 19954 5804 1 9 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.550 5.350 19954 5805 1 9 . 1 1 89 89 ASN H H 89 8.141 8.141 8.774 -0.633 19954 5806 1 9 . 1 1 90 90 LYS N N 90 128.071 128.071 119.152 8.919 19954 5807 1 9 . 1 1 90 90 LYS CA C 90 55.381 55.381 53.418 1.963 19954 5808 1 9 . 1 1 90 90 LYS H H 90 7.961 7.961 7.484 0.477 19954 5809 1 9 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.320 -0.915 19954 5810 1 9 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.436 -1.815 19954 5811 1 9 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.138 -3.445 19954 5812 1 9 . 1 1 92 92 GLY N N 92 112.403 112.403 108.036 4.367 19954 5813 1 9 . 1 1 92 92 GLY CA C 92 43.305 43.305 45.807 -2.502 19954 5814 1 9 . 1 1 92 92 GLY H H 92 10.139 10.139 8.989 1.150 19954 5815 1 9 . 1 1 93 93 THR N N 93 106.254 106.254 112.163 -5.909 19954 5816 1 9 . 1 1 93 93 THR HA H 93 4.527 4.527 5.065 -0.538 19954 5817 1 9 . 1 1 93 93 THR CA C 93 56.663 56.663 59.789 -3.127 19954 5818 1 9 . 1 1 93 93 THR CB C 93 70.927 70.927 70.507 0.420 19954 5819 1 9 . 1 1 93 93 THR H H 93 7.180 7.180 7.366 -0.186 19954 5820 1 9 . 1 1 94 94 CYS N N 94 121.465 121.465 120.364 1.101 19954 5821 1 9 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.816 -0.366 19954 5822 1 9 . 1 1 94 94 CYS CA C 94 60.867 60.867 63.658 -2.791 19954 5823 1 9 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.260 -2.014 19954 5824 1 9 . 1 1 94 94 CYS H H 94 8.777 8.777 8.590 0.187 19954 5825 1 9 . 1 1 95 95 ALA N N 95 119.619 119.619 122.841 -3.222 19954 5826 1 9 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.788 0.054 19954 5827 1 9 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.587 -2.842 19954 5828 1 9 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.834 -2.130 19954 5829 1 9 . 1 1 95 95 ALA H H 95 8.392 8.392 8.215 0.177 19954 5830 1 9 . 1 1 96 96 HIS N N 96 118.081 118.081 120.061 -1.980 19954 5831 1 9 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.164 0.042 19954 5832 1 9 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.354 -1.663 19954 5833 1 9 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.785 -2.701 19954 5834 1 9 . 1 1 96 96 HIS H H 96 7.631 7.631 8.005 -0.374 19954 5835 1 9 . 1 1 97 97 ALA N N 97 123.652 123.652 123.084 0.568 19954 5836 1 9 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.111 -0.170 19954 5837 1 9 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.364 -2.206 19954 5838 1 9 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.518 -0.855 19954 5839 1 9 . 1 1 97 97 ALA H H 97 7.347 7.347 7.619 -0.272 19954 5840 1 9 . 1 1 98 98 ILE N N 98 115.278 115.278 118.712 -3.434 19954 5841 1 9 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.150 0.374 19954 5842 1 9 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.677 -2.694 19954 5843 1 9 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.253 -1.586 19954 5844 1 9 . 1 1 98 98 ILE H H 98 7.916 7.916 8.655 -0.739 19954 5845 1 9 . 1 1 99 99 ASN N N 99 120.684 120.684 118.123 2.561 19954 5846 1 9 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.211 0.193 19954 5847 1 9 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.423 -2.284 19954 5848 1 9 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.033 -1.788 19954 5849 1 9 . 1 1 99 99 ASN H H 99 7.978 7.978 7.829 0.149 19954 5850 1 9 . 1 1 100 100 THR N N 100 117.791 117.791 117.306 0.485 19954 5851 1 9 . 1 1 100 100 THR HA H 100 3.630 3.630 3.947 -0.317 19954 5852 1 9 . 1 1 100 100 THR CA C 100 63.899 63.899 66.589 -2.690 19954 5853 1 9 . 1 1 100 100 THR CB C 100 66.038 66.038 68.521 -2.483 19954 5854 1 9 . 1 1 100 100 THR H H 100 8.295 8.295 8.043 0.252 19954 5855 1 9 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.804 -0.086 19954 5856 1 9 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.095 -3.670 19954 5857 1 9 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.590 -0.402 19954 5858 1 9 . 1 1 101 101 LEU H H 101 7.825 7.825 8.345 -0.520 19954 5859 1 9 . 1 1 102 102 GLY N N 102 105.767 105.767 103.501 2.266 19954 5860 1 9 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.672 -1.331 19954 5861 1 9 . 1 1 102 102 GLY H H 102 8.591 8.591 7.969 0.622 19954 5862 1 9 . 1 1 103 103 GLU N N 103 116.366 116.366 119.603 -3.237 19954 5863 1 9 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.325 -0.258 19954 5864 1 9 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.854 -2.408 19954 5865 1 9 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.178 -2.801 19954 5866 1 9 . 1 1 103 103 GLU H H 103 7.471 7.471 7.837 -0.366 19954 5867 1 9 . 1 1 104 104 VAL N N 104 108.377 108.377 112.883 -4.506 19954 5868 1 9 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.453 0.303 19954 5869 1 9 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.627 -4.772 19954 5870 1 9 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.625 -2.747 19954 5871 1 9 . 1 1 104 104 VAL H H 104 7.016 7.016 7.794 -0.778 19954 5872 1 9 . 1 1 105 105 ILE N N 105 123.784 123.784 122.902 0.882 19954 5873 1 9 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.651 0.103 19954 5874 1 9 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.684 -6.284 19954 5875 1 9 . 1 1 105 105 ILE CB C 105 35.411 35.411 38.115 -2.704 19954 5876 1 9 . 1 1 105 105 ILE H H 105 7.197 7.197 8.689 -1.492 19954 5877 1 9 . 1 1 106 106 GLN N N 106 121.117 121.117 118.719 2.398 19954 5878 1 9 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.833 -0.178 19954 5879 1 9 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.296 -0.962 19954 5880 1 9 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.265 -0.373 19954 5881 1 9 . 1 1 106 106 GLN H H 106 8.549 8.549 8.654 -0.105 19954 5882 1 9 . 1 1 107 107 GLU N N 107 122.716 122.716 121.496 1.220 19954 5883 1 9 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.055 -0.218 19954 5884 1 9 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.595 -2.007 19954 5885 1 9 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.895 -2.361 19954 5886 1 9 . 1 1 107 107 GLU H H 107 7.762 7.762 8.024 -0.262 19954 5887 1 9 . 1 1 108 108 LEU N N 108 116.615 116.615 121.125 -4.510 19954 5888 1 9 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.924 0.055 19954 5889 1 9 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.941 -3.147 19954 5890 1 9 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.653 -3.156 19954 5891 1 9 . 1 1 108 108 LEU H H 108 8.016 8.016 7.746 0.270 19954 5892 1 9 . 1 1 109 109 LEU N N 109 118.708 118.708 118.766 -0.058 19954 5893 1 9 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.773 0.067 19954 5894 1 9 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.532 -2.806 19954 5895 1 9 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.512 -0.190 19954 5896 1 9 . 1 1 109 109 LEU H H 109 8.801 8.801 8.589 0.212 19954 5897 1 9 . 1 1 110 110 SER N N 110 114.083 114.083 114.219 -0.136 19954 5898 1 9 . 1 1 110 110 SER HA H 110 3.848 3.848 3.552 0.296 19954 5899 1 9 . 1 1 110 110 SER CA C 110 60.127 60.127 61.339 -1.212 19954 5900 1 9 . 1 1 110 110 SER CB C 110 60.300 60.300 62.008 -1.708 19954 5901 1 9 . 1 1 110 110 SER H H 110 8.161 8.161 7.799 0.362 19954 5902 1 9 . 1 1 111 111 ASP N N 111 120.151 120.151 122.885 -2.734 19954 5903 1 9 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.232 0.110 19954 5904 1 9 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.103 -2.336 19954 5905 1 9 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.268 -0.524 19954 5906 1 9 . 1 1 111 111 ASP H H 111 7.614 7.614 8.034 -0.420 19954 5907 1 9 . 1 1 112 112 ALA N N 112 116.927 116.927 122.361 -5.434 19954 5908 1 9 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.917 -0.328 19954 5909 1 9 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.244 -2.521 19954 5910 1 9 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.529 -0.882 19954 5911 1 9 . 1 1 112 112 ALA H H 112 7.662 7.662 8.092 -0.430 19954 5912 1 9 . 1 1 113 113 ILE N N 113 119.039 119.039 117.449 1.590 19954 5913 1 9 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.559 -0.332 19954 5914 1 9 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.606 -0.925 19954 5915 1 9 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.708 -1.549 19954 5916 1 9 . 1 1 113 113 ILE H H 113 8.681 8.681 7.999 0.682 19954 5917 1 9 . 1 1 114 114 ALA N N 114 120.055 120.055 121.775 -1.720 19954 5918 1 9 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.914 -0.007 19954 5919 1 9 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.569 -1.981 19954 5920 1 9 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.897 -2.766 19954 5921 1 9 . 1 1 114 114 ALA H H 114 7.716 7.716 7.831 -0.115 19954 5922 1 9 . 1 1 115 115 LYS N N 115 113.845 113.845 117.337 -3.492 19954 5923 1 9 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.027 0.056 19954 5924 1 9 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.508 -3.553 19954 5925 1 9 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.223 -0.590 19954 5926 1 9 . 1 1 115 115 LYS H H 115 7.248 7.248 8.128 -0.880 19954 5927 1 9 . 1 1 116 116 SER N N 116 115.794 115.794 112.643 3.151 19954 5928 1 9 . 1 1 116 116 SER HA H 116 4.503 4.503 4.609 -0.106 19954 5929 1 9 . 1 1 116 116 SER CA C 116 57.848 57.848 58.346 -0.498 19954 5930 1 9 . 1 1 116 116 SER CB C 116 63.380 63.380 64.736 -1.355 19954 5931 1 9 . 1 1 116 116 SER H H 116 7.124 7.124 7.726 -0.602 19954 5932 1 9 . 1 1 117 117 ASN N N 117 119.747 119.747 119.865 -0.118 19954 5933 1 9 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.869 -0.347 19954 5934 1 9 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.559 -2.217 19954 5935 1 9 . 1 1 117 117 ASN CB C 117 35.282 35.282 40.036 -4.754 19954 5936 1 9 . 1 1 117 117 ASN H H 117 8.457 8.457 8.128 0.329 19954 5937 1 9 . 1 1 118 118 GLN N N 118 117.591 117.591 119.848 -2.257 19954 5938 1 9 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.901 -0.124 19954 5939 1 9 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.483 -3.299 19954 5940 1 9 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.525 3.016 19954 5941 1 9 . 1 1 118 118 GLN H H 118 8.418 8.418 8.847 -0.429 19954 5942 1 9 . 1 1 119 119 ASP N N 119 119.281 119.281 117.847 1.434 19954 5943 1 9 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.410 -0.120 19954 5944 1 9 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.326 -2.733 19954 5945 1 9 . 1 1 119 119 ASP CB C 119 38.903 38.903 39.894 -0.991 19954 5946 1 9 . 1 1 119 119 ASP H H 119 7.973 7.973 8.697 -0.724 19954 5947 1 9 . 1 1 120 120 HIS N N 120 118.871 118.871 119.413 -0.542 19954 5948 1 9 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.093 0.247 19954 5949 1 9 . 1 1 120 120 HIS CA C 120 55.758 55.758 59.315 -3.557 19954 5950 1 9 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.919 -2.191 19954 5951 1 9 . 1 1 120 120 HIS H H 120 8.702 8.702 8.622 0.080 19954 5952 1 9 . 1 1 121 121 LYS N N 121 120.739 120.739 118.511 2.228 19954 5953 1 9 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.889 -0.121 19954 5954 1 9 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.750 -0.065 19954 5955 1 9 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.354 -0.430 19954 5956 1 9 . 1 1 121 121 LYS H H 121 8.990 8.990 8.813 0.177 19954 5957 1 9 . 1 1 122 122 GLU N N 122 117.889 117.889 119.540 -1.651 19954 5958 1 9 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.021 0.041 19954 5959 1 9 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.416 -3.311 19954 5960 1 9 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.155 -2.464 19954 5961 1 9 . 1 1 122 122 GLU H H 122 7.615 7.615 8.057 -0.442 19954 5962 1 9 . 1 1 123 123 LYS N N 123 119.139 119.139 119.092 0.047 19954 5963 1 9 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.101 -0.142 19954 5964 1 9 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.575 -1.972 19954 5965 1 9 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.809 -1.586 19954 5966 1 9 . 1 1 123 123 LYS H H 123 7.550 7.550 7.693 -0.143 19954 5967 1 9 . 1 1 124 124 ILE N N 124 123.103 123.103 119.694 3.409 19954 5968 1 9 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.529 -0.303 19954 5969 1 9 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.675 -1.991 19954 5970 1 9 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.479 -2.736 19954 5971 1 9 . 1 1 124 124 ILE H H 124 8.356 8.356 7.848 0.508 19954 5972 1 9 . 1 1 125 125 ARG N N 125 122.162 122.162 120.182 1.980 19954 5973 1 9 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.866 -0.760 19954 5974 1 9 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.356 -1.332 19954 5975 1 9 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.044 1.927 19954 5976 1 9 . 1 1 125 125 ARG H H 125 7.988 7.988 7.837 0.151 19954 5977 1 9 . 1 1 126 126 MET N N 126 115.215 115.215 118.540 -3.325 19954 5978 1 9 . 1 1 126 126 MET HA H 126 3.973 3.973 4.071 -0.098 19954 5979 1 9 . 1 1 126 126 MET CA C 126 55.896 55.896 58.695 -2.799 19954 5980 1 9 . 1 1 126 126 MET CB C 126 29.856 29.856 32.345 -2.489 19954 5981 1 9 . 1 1 126 126 MET H H 126 7.455 7.455 7.814 -0.359 19954 5982 1 9 . 1 1 127 127 LEU N N 127 122.351 122.351 121.226 1.125 19954 5983 1 9 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.660 -0.108 19954 5984 1 9 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.593 -2.805 19954 5985 1 9 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.097 -1.819 19954 5986 1 9 . 1 1 127 127 LEU H H 127 7.479 7.479 7.855 -0.376 19954 5987 1 9 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.283 0.600 19954 5988 1 9 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.255 -2.909 19954 5989 1 9 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.096 -2.287 19954 5990 1 9 . 1 1 128 128 LEU H H 128 7.841 7.841 7.672 0.169 19954 5991 1 9 . 1 1 129 129 ASP N N 129 116.915 116.915 119.868 -2.953 19954 5992 1 9 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.519 -0.132 19954 5993 1 9 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.187 -4.588 19954 5994 1 9 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.752 -2.886 19954 5995 1 9 . 1 1 129 129 ASP H H 129 7.034 7.034 7.617 -0.583 19954 5996 1 9 . 1 1 130 130 ILE N N 130 124.155 124.155 119.950 4.205 19954 5997 1 9 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.621 0.022 19954 5998 1 9 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.041 -1.665 19954 5999 1 9 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.637 -2.853 19954 6000 1 9 . 1 1 130 130 ILE H H 130 7.671 7.671 7.696 -0.025 19954 6001 1 9 . 1 1 131 131 TRP N N 131 125.421 125.421 120.651 4.770 19954 6002 1 9 . 1 1 131 131 TRP H H 131 8.831 8.831 7.838 0.993 19954 6003 1 9 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.356 3.083 19954 6004 1 9 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.269 0.214 19954 6005 1 9 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.843 -5.106 19954 6006 1 9 . 1 1 144 144 ALA N N 144 121.013 121.013 121.851 -0.838 19954 6007 1 9 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.882 0.222 19954 6008 1 9 . 1 1 144 144 ALA CA C 144 52.678 52.678 55.097 -2.419 19954 6009 1 9 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.528 -3.152 19954 6010 1 9 . 1 1 144 144 ALA H H 144 8.212 8.212 8.206 0.006 19954 6011 1 9 . 1 1 145 145 ILE N N 145 117.646 117.646 115.728 1.918 19954 6012 1 9 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.780 0.048 19954 6013 1 9 . 1 1 145 145 ILE CA C 145 58.344 58.344 63.131 -4.787 19954 6014 1 9 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.599 0.543 19954 6015 1 9 . 1 1 145 145 ILE H H 145 7.183 7.183 7.783 -0.600 19954 6016 1 9 . 1 1 146 146 ARG N N 146 121.150 121.150 121.300 -0.150 19954 6017 1 9 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.880 0.022 19954 6018 1 9 . 1 1 146 146 ARG CA C 146 58.465 58.465 59.262 -0.797 19954 6019 1 9 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.116 -2.333 19954 6020 1 9 . 1 1 146 146 ARG H H 146 8.477 8.477 8.463 0.014 19954 6021 1 9 . 1 1 147 147 SER N N 147 111.836 111.836 115.920 -4.084 19954 6022 1 9 . 1 1 147 147 SER HA H 147 4.162 4.162 4.487 -0.325 19954 6023 1 9 . 1 1 147 147 SER CA C 147 58.642 58.642 58.303 0.339 19954 6024 1 9 . 1 1 147 147 SER CB C 147 60.972 60.972 62.641 -1.669 19954 6025 1 9 . 1 1 147 147 SER H H 147 8.187 8.187 7.930 0.257 19954 6026 1 9 . 1 1 148 148 LYS N N 148 118.675 118.675 126.910 -8.235 19954 6027 1 9 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.983 0.155 19954 6028 1 9 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.601 -3.584 19954 6029 1 9 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.680 0.100 19954 6030 1 9 . 1 1 148 148 LYS H H 148 7.837 7.837 8.435 -0.598 19954 6031 1 9 . 1 1 149 149 CYS N N 149 113.256 113.256 118.263 -5.007 19954 6032 1 9 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.087 0.505 19954 6033 1 9 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.174 -10.162 19954 6034 1 9 . 1 1 149 149 CYS H H 149 8.267 8.267 8.330 -0.063 19954 6035 1 9 . 1 1 150 150 PHE N N 150 116.623 116.623 120.310 -3.687 19954 6036 1 9 . 1 1 150 150 PHE HA H 150 4.944 4.944 3.998 0.946 19954 6037 1 9 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.994 -7.585 19954 6038 1 9 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.853 -0.800 19954 6039 1 9 . 1 1 150 150 PHE H H 150 7.373 7.373 8.593 -1.220 19954 6040 1 9 . 1 1 151 151 ALA N N 151 122.583 122.583 120.757 1.826 19954 6041 1 9 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.832 0.347 19954 6042 1 9 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.025 -4.384 19954 6043 1 9 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.513 -2.574 19954 6044 1 9 . 1 1 151 151 ALA H H 151 7.710 7.710 8.632 -0.922 19954 6045 1 9 . 1 1 152 152 MET N N 152 118.250 118.250 116.970 1.280 19954 6046 1 9 . 1 1 152 152 MET HA H 152 4.262 4.262 4.121 0.141 19954 6047 1 9 . 1 1 152 152 MET CA C 152 53.482 53.482 58.739 -5.257 19954 6048 1 9 . 1 1 152 152 MET CB C 152 30.488 30.488 31.838 -1.350 19954 6049 1 9 . 1 1 152 152 MET H H 152 8.086 8.086 8.028 0.058 19954 6050 1 9 . 1 1 153 153 ASP N N 153 121.780 121.780 119.387 2.393 19954 6051 1 9 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.320 0.158 19954 6052 1 9 . 1 1 153 153 ASP CA C 153 51.626 51.626 57.020 -5.394 19954 6053 1 9 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.328 -2.869 19954 6054 1 9 . 1 1 153 153 ASP H H 153 8.299 8.299 7.975 0.324 19954 6055 1 9 . 1 1 154 154 LEU N N 154 122.337 122.337 119.688 2.649 19954 6056 1 9 . 1 1 154 154 LEU HA H 154 4.108 4.108 3.918 0.190 19954 6057 1 9 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.354 -4.501 19954 6058 1 9 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.897 -2.180 19954 6059 1 9 . 1 1 154 154 LEU H H 154 8.072 8.072 7.997 0.075 19954 6060 1 9 . 1 1 155 155 GLU N N 155 119.995 119.995 117.998 1.997 19954 6061 1 9 . 1 1 155 155 GLU HA H 155 3.995 3.995 3.998 -0.003 19954 6062 1 9 . 1 1 155 155 GLU CA C 155 54.299 54.299 59.028 -4.729 19954 6063 1 9 . 1 1 155 155 GLU CB C 155 27.634 27.634 30.241 -2.607 19954 6064 1 9 . 1 1 155 155 GLU H H 155 8.151 8.151 7.476 0.675 19954 6065 1 9 . 1 1 156 156 HIS N N 156 118.980 118.980 117.338 1.642 19954 6066 1 9 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.496 -0.276 19954 6067 1 9 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.684 -3.241 19954 6068 1 9 . 1 1 156 156 HIS H H 156 8.007 8.007 7.827 0.180 19954 6069 1 9 . 1 1 157 157 HIS N N 157 121.956 121.956 119.720 2.236 19954 6070 1 9 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.639 -0.228 19954 6071 1 9 . 1 1 157 157 HIS CA C 157 53.252 53.252 55.226 -1.974 19954 6072 1 9 . 1 1 157 157 HIS H H 157 8.580 8.580 8.156 0.424 19954 6073 1 9 . 1 1 158 158 HIS N N 158 125.474 125.474 116.986 8.488 19954 6074 1 9 . 1 1 158 158 HIS CA C 158 54.628 54.628 56.019 -1.391 19954 6075 1 9 . 1 1 158 158 HIS H H 158 7.906 7.906 8.380 -0.473 19954 6076 1 10 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.527 -0.212 19954 6077 1 10 . 1 1 4 4 ASP CA C 4 51.714 51.714 54.888 -3.174 19954 6078 1 10 . 1 1 5 5 ASP N N 5 120.880 120.880 117.313 3.567 19954 6079 1 10 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.563 -0.109 19954 6080 1 10 . 1 1 5 5 ASP CA C 5 52.575 52.575 55.168 -2.593 19954 6081 1 10 . 1 1 5 5 ASP CB C 5 38.724 38.724 40.814 -2.090 19954 6082 1 10 . 1 1 5 5 ASP H H 5 8.277 8.277 8.456 -0.179 19954 6083 1 10 . 1 1 6 6 ASP N N 6 120.876 120.876 118.388 2.488 19954 6084 1 10 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.809 -0.327 19954 6085 1 10 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.607 -0.645 19954 6086 1 10 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.111 -3.553 19954 6087 1 10 . 1 1 6 6 ASP H H 6 8.497 8.497 8.021 0.476 19954 6088 1 10 . 1 1 7 7 PHE N N 7 122.789 122.789 119.549 3.240 19954 6089 1 10 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.360 -0.251 19954 6090 1 10 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.431 -1.560 19954 6091 1 10 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.599 -2.932 19954 6092 1 10 . 1 1 7 7 PHE H H 7 8.337 8.337 8.765 -0.428 19954 6093 1 10 . 1 1 8 8 GLN N N 8 116.255 116.255 120.015 -3.760 19954 6094 1 10 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.849 -0.100 19954 6095 1 10 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.733 -4.007 19954 6096 1 10 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.265 -3.477 19954 6097 1 10 . 1 1 8 8 GLN H H 8 8.488 8.488 8.430 0.058 19954 6098 1 10 . 1 1 9 9 ASN N N 9 118.242 118.242 118.510 -0.268 19954 6099 1 10 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.289 0.025 19954 6100 1 10 . 1 1 9 9 ASN CA C 9 53.575 53.575 55.773 -2.197 19954 6101 1 10 . 1 1 9 9 ASN CB C 9 36.253 36.253 37.630 -1.377 19954 6102 1 10 . 1 1 9 9 ASN H H 9 7.801 7.801 7.857 -0.056 19954 6103 1 10 . 1 1 10 10 PHE N N 10 124.982 124.982 121.074 3.908 19954 6104 1 10 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.643 -0.189 19954 6105 1 10 . 1 1 10 10 PHE CA C 10 58.994 58.994 60.919 -1.925 19954 6106 1 10 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.006 -2.971 19954 6107 1 10 . 1 1 10 10 PHE H H 10 6.924 6.924 6.934 -0.010 19954 6108 1 10 . 1 1 11 11 VAL N N 11 118.513 118.513 118.579 -0.066 19954 6109 1 10 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.024 -0.190 19954 6110 1 10 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.285 -2.054 19954 6111 1 10 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.634 -1.556 19954 6112 1 10 . 1 1 11 11 VAL H H 11 7.448 7.448 7.849 -0.401 19954 6113 1 10 . 1 1 12 12 ALA N N 12 119.214 119.214 121.336 -2.122 19954 6114 1 10 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.836 0.048 19954 6115 1 10 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.717 -3.291 19954 6116 1 10 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.946 -2.297 19954 6117 1 10 . 1 1 12 12 ALA H H 12 8.028 8.028 8.541 -0.513 19954 6118 1 10 . 1 1 13 13 THR N N 13 116.435 116.435 115.903 0.532 19954 6119 1 10 . 1 1 13 13 THR HA H 13 3.624 3.624 3.866 -0.242 19954 6120 1 10 . 1 1 13 13 THR CA C 13 64.041 64.041 65.901 -1.860 19954 6121 1 10 . 1 1 13 13 THR CB C 13 65.118 65.118 68.209 -3.091 19954 6122 1 10 . 1 1 13 13 THR H H 13 7.638 7.638 7.960 -0.322 19954 6123 1 10 . 1 1 14 14 LEU N N 14 126.284 126.284 121.938 4.346 19954 6124 1 10 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.544 0.086 19954 6125 1 10 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.876 -2.389 19954 6126 1 10 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.302 -2.450 19954 6127 1 10 . 1 1 14 14 LEU H H 14 7.975 7.975 7.419 0.556 19954 6128 1 10 . 1 1 15 15 GLU N N 15 116.145 116.145 118.395 -2.250 19954 6129 1 10 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.870 -0.053 19954 6130 1 10 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.850 -3.456 19954 6131 1 10 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.083 -2.175 19954 6132 1 10 . 1 1 15 15 GLU H H 15 8.503 8.503 8.373 0.130 19954 6133 1 10 . 1 1 16 16 SER N N 16 114.452 114.452 114.079 0.373 19954 6134 1 10 . 1 1 16 16 SER HA H 16 4.196 4.196 4.202 -0.006 19954 6135 1 10 . 1 1 16 16 SER CA C 16 58.515 58.515 61.130 -2.615 19954 6136 1 10 . 1 1 16 16 SER CB C 16 60.155 60.155 63.147 -2.992 19954 6137 1 10 . 1 1 16 16 SER H H 16 7.643 7.643 8.078 -0.435 19954 6138 1 10 . 1 1 17 17 PHE N N 17 124.020 124.020 122.325 1.695 19954 6139 1 10 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.150 -0.326 19954 6140 1 10 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.803 -1.468 19954 6141 1 10 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.802 -1.948 19954 6142 1 10 . 1 1 17 17 PHE H H 17 8.082 8.082 7.411 0.671 19954 6143 1 10 . 1 1 18 18 LYS N N 18 116.570 116.570 118.271 -1.701 19954 6144 1 10 . 1 1 18 18 LYS HA H 18 3.947 3.947 3.886 0.061 19954 6145 1 10 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.799 -1.944 19954 6146 1 10 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.681 -2.229 19954 6147 1 10 . 1 1 18 18 LYS H H 18 7.849 7.849 7.754 0.095 19954 6148 1 10 . 1 1 19 19 ASP N N 19 116.332 116.332 119.000 -2.668 19954 6149 1 10 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.462 0.077 19954 6150 1 10 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.724 -3.567 19954 6151 1 10 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.196 -2.493 19954 6152 1 10 . 1 1 19 19 ASP H H 19 7.276 7.276 7.670 -0.394 19954 6153 1 10 . 1 1 20 20 LEU N N 20 119.769 119.769 121.205 -1.436 19954 6154 1 10 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.103 0.296 19954 6155 1 10 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.945 -3.946 19954 6156 1 10 . 1 1 20 20 LEU H H 20 7.226 7.226 7.544 -0.318 19954 6157 1 10 . 1 1 21 21 LYS N N 21 126.041 126.041 121.903 4.138 19954 6158 1 10 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.045 0.018 19954 6159 1 10 . 1 1 21 21 LYS CA C 21 56.849 56.849 57.805 -0.956 19954 6160 1 10 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.354 -0.720 19954 6161 1 10 . 1 1 21 21 LYS H H 21 9.203 9.203 8.065 1.138 19954 6162 1 10 . 1 1 22 22 SER N N 22 109.885 109.885 112.161 -2.276 19954 6163 1 10 . 1 1 22 22 SER HA H 22 4.322 4.322 4.467 -0.145 19954 6164 1 10 . 1 1 22 22 SER CA C 22 55.254 55.254 58.187 -2.933 19954 6165 1 10 . 1 1 22 22 SER CB C 22 62.254 62.254 62.839 -0.584 19954 6166 1 10 . 1 1 22 22 SER H H 22 8.607 8.607 7.808 0.799 19954 6167 1 10 . 1 1 23 23 GLY N N 23 106.286 106.286 108.444 -2.158 19954 6168 1 10 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.932 -0.952 19954 6169 1 10 . 1 1 23 23 GLY H H 23 6.619 6.619 7.782 -1.163 19954 6170 1 10 . 1 1 24 24 ILE N N 24 118.883 118.883 120.787 -1.904 19954 6171 1 10 . 1 1 24 24 ILE HA H 24 3.984 3.984 3.352 0.632 19954 6172 1 10 . 1 1 24 24 ILE CA C 24 59.167 59.167 62.133 -2.966 19954 6173 1 10 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.921 1.725 19954 6174 1 10 . 1 1 24 24 ILE H H 24 7.929 7.929 7.658 0.271 19954 6175 1 10 . 1 1 25 25 SER N N 25 117.952 117.952 122.257 -4.305 19954 6176 1 10 . 1 1 25 25 SER HA H 25 5.093 5.093 4.632 0.461 19954 6177 1 10 . 1 1 25 25 SER CA C 25 52.534 52.534 56.778 -4.244 19954 6178 1 10 . 1 1 25 25 SER CB C 25 61.938 61.938 64.775 -2.837 19954 6179 1 10 . 1 1 25 25 SER H H 25 5.660 5.660 7.855 -2.195 19954 6180 1 10 . 1 1 26 26 GLY N N 26 120.266 120.266 113.414 6.852 19954 6181 1 10 . 1 1 26 26 GLY CA C 26 45.487 45.487 46.998 -1.511 19954 6182 1 10 . 1 1 26 26 GLY H H 26 8.596 8.596 9.086 -0.490 19954 6183 1 10 . 1 1 27 27 SER N N 27 120.500 120.500 117.527 2.973 19954 6184 1 10 . 1 1 27 27 SER HA H 27 4.410 4.410 4.014 0.396 19954 6185 1 10 . 1 1 27 27 SER CA C 27 58.793 58.793 61.546 -2.753 19954 6186 1 10 . 1 1 27 27 SER CB C 27 62.224 62.224 63.194 -0.970 19954 6187 1 10 . 1 1 27 27 SER H H 27 9.846 9.846 7.825 2.021 19954 6188 1 10 . 1 1 28 28 ARG N N 28 123.779 123.779 120.299 3.480 19954 6189 1 10 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.953 -0.068 19954 6190 1 10 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.149 -2.309 19954 6191 1 10 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.612 -1.498 19954 6192 1 10 . 1 1 28 28 ARG H H 28 8.034 8.034 7.557 0.477 19954 6193 1 10 . 1 1 29 29 ILE N N 29 120.700 120.700 119.879 0.821 19954 6194 1 10 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.292 0.180 19954 6195 1 10 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.024 -0.395 19954 6196 1 10 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.343 -1.675 19954 6197 1 10 . 1 1 29 29 ILE H H 29 8.374 8.374 7.422 0.952 19954 6198 1 10 . 1 1 30 30 LYS N N 30 124.209 124.209 120.182 4.027 19954 6199 1 10 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.898 0.130 19954 6200 1 10 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.067 -2.666 19954 6201 1 10 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.219 -2.939 19954 6202 1 10 . 1 1 30 30 LYS H H 30 8.231 8.231 7.915 0.316 19954 6203 1 10 . 1 1 31 31 LYS N N 31 120.422 120.422 119.633 0.789 19954 6204 1 10 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.007 0.031 19954 6205 1 10 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.405 -1.787 19954 6206 1 10 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.026 -1.857 19954 6207 1 10 . 1 1 31 31 LYS H H 31 7.449 7.449 7.728 -0.279 19954 6208 1 10 . 1 1 32 32 LEU N N 32 118.348 118.348 119.243 -0.895 19954 6209 1 10 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.098 -0.037 19954 6210 1 10 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.623 -3.213 19954 6211 1 10 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.293 -1.511 19954 6212 1 10 . 1 1 32 32 LEU H H 32 8.186 8.186 7.929 0.257 19954 6213 1 10 . 1 1 33 33 THR N N 33 116.500 116.500 115.694 0.806 19954 6214 1 10 . 1 1 33 33 THR HA H 33 3.662 3.662 3.901 -0.239 19954 6215 1 10 . 1 1 33 33 THR CA C 33 64.726 64.726 67.339 -2.613 19954 6216 1 10 . 1 1 33 33 THR CB C 33 66.097 66.097 68.181 -2.084 19954 6217 1 10 . 1 1 33 33 THR H H 33 8.066 8.066 8.364 -0.298 19954 6218 1 10 . 1 1 34 34 THR N N 34 119.029 119.029 118.025 1.004 19954 6219 1 10 . 1 1 34 34 THR HA H 34 3.759 3.759 3.923 -0.164 19954 6220 1 10 . 1 1 34 34 THR CA C 34 64.291 64.291 66.251 -1.960 19954 6221 1 10 . 1 1 34 34 THR CB C 34 66.733 66.733 68.767 -2.034 19954 6222 1 10 . 1 1 34 34 THR H H 34 8.685 8.685 8.067 0.618 19954 6223 1 10 . 1 1 35 35 TYR N N 35 120.298 120.298 123.018 -2.720 19954 6224 1 10 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.046 0.156 19954 6225 1 10 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.716 -1.562 19954 6226 1 10 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.072 -2.062 19954 6227 1 10 . 1 1 35 35 TYR H H 35 7.663 7.663 8.171 -0.508 19954 6228 1 10 . 1 1 36 36 ALA N N 36 121.480 121.480 121.936 -0.456 19954 6229 1 10 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.819 0.093 19954 6230 1 10 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.876 -1.740 19954 6231 1 10 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.594 -3.721 19954 6232 1 10 . 1 1 36 36 ALA H H 36 8.543 8.543 8.371 0.172 19954 6233 1 10 . 1 1 37 37 LEU N N 37 120.767 120.767 118.186 2.581 19954 6234 1 10 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.879 0.224 19954 6235 1 10 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.458 -3.618 19954 6236 1 10 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.900 -1.718 19954 6237 1 10 . 1 1 37 37 LEU H H 37 8.351 8.351 8.048 0.303 19954 6238 1 10 . 1 1 38 38 ASP N N 38 119.008 119.008 117.656 1.352 19954 6239 1 10 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.188 0.268 19954 6240 1 10 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.094 -3.954 19954 6241 1 10 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.014 -2.115 19954 6242 1 10 . 1 1 38 38 ASP H H 38 7.557 7.557 7.980 -0.423 19954 6243 1 10 . 1 1 39 39 HIS N N 39 118.142 118.142 117.471 0.671 19954 6244 1 10 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.703 -0.078 19954 6245 1 10 . 1 1 39 39 HIS CA C 39 52.146 52.146 53.865 -1.719 19954 6246 1 10 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.136 -3.630 19954 6247 1 10 . 1 1 39 39 HIS H H 39 7.094 7.094 7.711 -0.617 19954 6248 1 10 . 1 1 40 40 ILE N N 40 121.885 121.885 122.629 -0.744 19954 6249 1 10 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.917 -0.491 19954 6250 1 10 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.375 1.218 19954 6251 1 10 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.263 -1.090 19954 6252 1 10 . 1 1 40 40 ILE H H 40 7.630 7.630 8.235 -0.605 19954 6253 1 10 . 1 1 41 41 ASP N N 41 114.814 114.814 118.217 -3.403 19954 6254 1 10 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.627 -0.441 19954 6255 1 10 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.229 -0.213 19954 6256 1 10 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.504 -3.668 19954 6257 1 10 . 1 1 41 41 ASP H H 41 8.433 8.433 8.495 -0.062 19954 6258 1 10 . 1 1 42 42 ILE N N 42 113.793 113.793 112.502 1.291 19954 6259 1 10 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.624 0.088 19954 6260 1 10 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.584 -2.343 19954 6261 1 10 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.511 -3.615 19954 6262 1 10 . 1 1 42 42 ILE H H 42 7.447 7.447 7.255 0.192 19954 6263 1 10 . 1 1 43 43 GLU N N 43 120.845 120.845 123.040 -2.195 19954 6264 1 10 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.111 -0.065 19954 6265 1 10 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.605 -2.837 19954 6266 1 10 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.518 -4.501 19954 6267 1 10 . 1 1 43 43 GLU H H 43 8.195 8.195 8.017 0.178 19954 6268 1 10 . 1 1 44 44 SER N N 44 113.781 113.781 116.235 -2.454 19954 6269 1 10 . 1 1 44 44 SER HA H 44 3.944 3.944 4.100 -0.156 19954 6270 1 10 . 1 1 44 44 SER CA C 44 59.590 59.590 61.764 -2.174 19954 6271 1 10 . 1 1 44 44 SER CB C 44 59.878 59.878 62.747 -2.869 19954 6272 1 10 . 1 1 44 44 SER H H 44 8.728 8.728 8.605 0.123 19954 6273 1 10 . 1 1 45 45 LYS N N 45 121.258 121.258 121.299 -0.041 19954 6274 1 10 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.048 0.031 19954 6275 1 10 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.819 -2.630 19954 6276 1 10 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.289 -0.812 19954 6277 1 10 . 1 1 45 45 LYS H H 45 7.329 7.329 8.224 -0.895 19954 6278 1 10 . 1 1 46 46 ILE N N 46 121.022 121.022 121.789 -0.767 19954 6279 1 10 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.947 -0.585 19954 6280 1 10 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.199 -1.942 19954 6281 1 10 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.763 -0.871 19954 6282 1 10 . 1 1 46 46 ILE H H 46 7.360 7.360 8.099 -0.739 19954 6283 1 10 . 1 1 47 47 ILE N N 47 118.543 118.543 119.193 -0.650 19954 6284 1 10 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.639 0.100 19954 6285 1 10 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.066 -5.409 19954 6286 1 10 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.432 -4.304 19954 6287 1 10 . 1 1 47 47 ILE H H 47 9.378 9.378 8.124 1.254 19954 6288 1 10 . 1 1 48 48 SER N N 48 113.001 113.001 116.018 -3.017 19954 6289 1 10 . 1 1 48 48 SER HA H 48 4.016 4.016 4.185 -0.169 19954 6290 1 10 . 1 1 48 48 SER CA C 48 59.574 59.574 61.935 -2.361 19954 6291 1 10 . 1 1 48 48 SER CB C 48 60.341 60.341 63.206 -2.865 19954 6292 1 10 . 1 1 48 48 SER H H 48 7.382 7.382 8.512 -1.130 19954 6293 1 10 . 1 1 49 49 LEU N N 49 120.059 120.059 123.401 -3.342 19954 6294 1 10 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.176 -0.006 19954 6295 1 10 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.450 -2.784 19954 6296 1 10 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.080 -2.330 19954 6297 1 10 . 1 1 49 49 LEU H H 49 7.477 7.477 8.344 -0.867 19954 6298 1 10 . 1 1 50 50 ILE N N 50 115.429 115.429 117.482 -2.053 19954 6299 1 10 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.496 0.597 19954 6300 1 10 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.025 -2.221 19954 6301 1 10 . 1 1 50 50 ILE H H 50 8.081 8.081 7.799 0.282 19954 6302 1 10 . 1 1 51 51 ILE N N 51 125.106 125.106 121.254 3.852 19954 6303 1 10 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.538 -0.083 19954 6304 1 10 . 1 1 51 51 ILE CA C 51 64.148 64.148 65.942 -1.794 19954 6305 1 10 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.613 -1.894 19954 6306 1 10 . 1 1 51 51 ILE H H 51 8.194 8.194 8.078 0.116 19954 6307 1 10 . 1 1 52 52 ASP N N 52 119.519 119.519 119.762 -0.243 19954 6308 1 10 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.313 -0.069 19954 6309 1 10 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.529 -2.546 19954 6310 1 10 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.053 -3.188 19954 6311 1 10 . 1 1 52 52 ASP H H 52 7.850 7.850 8.409 -0.559 19954 6312 1 10 . 1 1 53 53 TYR N N 53 118.402 118.402 120.453 -2.051 19954 6313 1 10 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.174 -0.282 19954 6314 1 10 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.113 -1.368 19954 6315 1 10 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.504 -2.640 19954 6316 1 10 . 1 1 53 53 TYR H H 53 8.260 8.260 8.865 -0.605 19954 6317 1 10 . 1 1 54 54 SER N N 54 111.626 111.626 115.992 -4.366 19954 6318 1 10 . 1 1 54 54 SER HA H 54 4.058 4.058 4.314 -0.256 19954 6319 1 10 . 1 1 54 54 SER CA C 54 58.733 58.733 61.632 -2.899 19954 6320 1 10 . 1 1 54 54 SER CB C 54 62.430 62.430 63.479 -1.049 19954 6321 1 10 . 1 1 54 54 SER H H 54 7.316 7.316 7.976 -0.660 19954 6322 1 10 . 1 1 55 55 ARG N N 55 114.937 114.937 121.690 -6.753 19954 6323 1 10 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.081 0.091 19954 6324 1 10 . 1 1 55 55 ARG CA C 55 56.273 56.273 58.072 -1.799 19954 6325 1 10 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.014 -0.764 19954 6326 1 10 . 1 1 55 55 ARG H H 55 7.901 7.901 7.668 0.233 19954 6327 1 10 . 1 1 56 56 LEU N N 56 116.307 116.307 119.952 -3.645 19954 6328 1 10 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.971 0.232 19954 6329 1 10 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.328 -4.528 19954 6330 1 10 . 1 1 56 56 LEU CB C 56 40.868 40.868 41.985 -1.117 19954 6331 1 10 . 1 1 56 56 LEU H H 56 7.802 7.802 8.091 -0.289 19954 6332 1 10 . 1 1 57 57 CYS N N 57 119.062 119.062 114.360 4.702 19954 6333 1 10 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.446 -0.206 19954 6334 1 10 . 1 1 57 57 CYS CA C 57 53.750 53.750 56.925 -3.175 19954 6335 1 10 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.283 -5.207 19954 6336 1 10 . 1 1 57 57 CYS H H 57 7.717 7.717 7.320 0.397 19954 6337 1 10 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.489 -0.144 19954 6338 1 10 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.798 -2.317 19954 6339 1 10 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.403 -2.243 19954 6340 1 10 . 1 1 59 59 ASP N N 59 123.671 123.671 117.866 5.805 19954 6341 1 10 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.152 -0.235 19954 6342 1 10 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.086 -2.272 19954 6343 1 10 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.879 -2.955 19954 6344 1 10 . 1 1 59 59 ASP H H 59 8.696 8.696 8.756 -0.060 19954 6345 1 10 . 1 1 60 60 SER N N 60 110.600 110.600 116.288 -5.688 19954 6346 1 10 . 1 1 60 60 SER HA H 60 4.103 4.103 4.069 0.034 19954 6347 1 10 . 1 1 60 60 SER CA C 60 57.379 57.379 61.889 -4.510 19954 6348 1 10 . 1 1 60 60 SER CB C 60 61.562 61.562 63.175 -1.613 19954 6349 1 10 . 1 1 60 60 SER H H 60 8.119 8.119 8.453 -0.334 19954 6350 1 10 . 1 1 61 61 HIS N N 61 122.391 122.391 120.252 2.139 19954 6351 1 10 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.539 0.094 19954 6352 1 10 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.131 -3.417 19954 6353 1 10 . 1 1 61 61 HIS CB C 61 29.942 29.942 28.948 0.994 19954 6354 1 10 . 1 1 61 61 HIS H H 61 8.123 8.123 8.059 0.064 19954 6355 1 10 . 1 1 62 62 LYS N N 62 121.665 121.665 120.935 0.730 19954 6356 1 10 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.906 -0.211 19954 6357 1 10 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.804 -4.044 19954 6358 1 10 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.208 -1.912 19954 6359 1 10 . 1 1 62 62 LYS H H 62 7.512 7.512 8.037 -0.525 19954 6360 1 10 . 1 1 63 63 LEU N N 63 117.792 117.792 119.665 -1.873 19954 6361 1 10 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.801 -0.343 19954 6362 1 10 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.646 -1.021 19954 6363 1 10 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.300 -3.251 19954 6364 1 10 . 1 1 63 63 LEU H H 63 8.136 8.136 8.222 -0.086 19954 6365 1 10 . 1 1 64 64 GLY N N 64 105.340 105.340 105.761 -0.421 19954 6366 1 10 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.945 -2.398 19954 6367 1 10 . 1 1 64 64 GLY H H 64 8.616 8.616 7.895 0.721 19954 6368 1 10 . 1 1 65 65 SER N N 65 117.745 117.745 118.649 -0.904 19954 6369 1 10 . 1 1 65 65 SER HA H 65 4.265 4.265 4.024 0.241 19954 6370 1 10 . 1 1 65 65 SER CA C 65 58.998 58.998 61.858 -2.860 19954 6371 1 10 . 1 1 65 65 SER CB C 65 67.350 67.350 62.978 4.372 19954 6372 1 10 . 1 1 65 65 SER H H 65 7.894 7.894 8.701 -0.807 19954 6373 1 10 . 1 1 66 66 LEU N N 66 124.161 124.161 122.941 1.220 19954 6374 1 10 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.918 0.383 19954 6375 1 10 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.286 -4.231 19954 6376 1 10 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.164 -3.057 19954 6377 1 10 . 1 1 66 66 LEU H H 66 7.407 7.407 7.837 -0.430 19954 6378 1 10 . 1 1 67 67 TYR N N 67 121.466 121.466 117.351 4.115 19954 6379 1 10 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.205 0.339 19954 6380 1 10 . 1 1 67 67 TYR CA C 67 53.439 53.439 61.079 -7.640 19954 6381 1 10 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.464 -3.283 19954 6382 1 10 . 1 1 67 67 TYR H H 67 8.001 8.001 7.537 0.464 19954 6383 1 10 . 1 1 68 68 ILE N N 68 121.357 121.357 120.373 0.984 19954 6384 1 10 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.501 -0.266 19954 6385 1 10 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.311 -1.929 19954 6386 1 10 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.794 -1.714 19954 6387 1 10 . 1 1 68 68 ILE H H 68 7.811 7.811 7.934 -0.123 19954 6388 1 10 . 1 1 69 69 ILE N N 69 117.955 117.955 119.321 -1.366 19954 6389 1 10 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.505 -0.156 19954 6390 1 10 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.897 -2.484 19954 6391 1 10 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.402 -1.483 19954 6392 1 10 . 1 1 69 69 ILE H H 69 6.886 6.886 8.570 -1.684 19954 6393 1 10 . 1 1 70 70 ASP N N 70 118.932 118.932 120.765 -1.833 19954 6394 1 10 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.559 -0.163 19954 6395 1 10 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.518 -2.483 19954 6396 1 10 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.119 0.470 19954 6397 1 10 . 1 1 70 70 ASP H H 70 9.100 9.100 8.483 0.617 19954 6398 1 10 . 1 1 71 71 SER N N 71 110.354 110.354 116.114 -5.760 19954 6399 1 10 . 1 1 71 71 SER HA H 71 4.104 4.104 4.246 -0.142 19954 6400 1 10 . 1 1 71 71 SER CA C 71 58.746 58.746 61.489 -2.743 19954 6401 1 10 . 1 1 71 71 SER CB C 71 61.136 61.136 63.057 -1.921 19954 6402 1 10 . 1 1 71 71 SER H H 71 7.938 7.938 7.883 0.055 19954 6403 1 10 . 1 1 72 72 ILE N N 72 117.565 117.565 121.163 -3.598 19954 6404 1 10 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.484 -0.219 19954 6405 1 10 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.326 -1.677 19954 6406 1 10 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.485 -1.721 19954 6407 1 10 . 1 1 72 72 ILE H H 72 7.912 7.912 7.943 -0.031 19954 6408 1 10 . 1 1 73 73 GLY N N 73 107.350 107.350 107.632 -0.282 19954 6409 1 10 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.151 -2.404 19954 6410 1 10 . 1 1 73 73 GLY H H 73 8.847 8.847 8.564 0.283 19954 6411 1 10 . 1 1 74 74 ARG N N 74 118.068 118.068 122.491 -4.423 19954 6412 1 10 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.785 0.165 19954 6413 1 10 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.948 -0.776 19954 6414 1 10 . 1 1 74 74 ARG CB C 74 27.672 27.672 29.957 -2.285 19954 6415 1 10 . 1 1 74 74 ARG H H 74 8.705 8.705 8.107 0.598 19954 6416 1 10 . 1 1 75 75 ALA N N 75 123.817 123.817 121.942 1.875 19954 6417 1 10 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.993 0.223 19954 6418 1 10 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.302 -2.440 19954 6419 1 10 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.503 -3.102 19954 6420 1 10 . 1 1 75 75 ALA H H 75 7.673 7.673 7.885 -0.212 19954 6421 1 10 . 1 1 76 76 TYR N N 76 119.918 119.918 119.414 0.504 19954 6422 1 10 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.233 0.304 19954 6423 1 10 . 1 1 76 76 TYR CA C 76 55.093 55.093 59.980 -4.888 19954 6424 1 10 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.630 -3.827 19954 6425 1 10 . 1 1 76 76 TYR H H 76 8.659 8.659 8.522 0.137 19954 6426 1 10 . 1 1 77 77 LEU N N 77 123.387 123.387 120.353 3.034 19954 6427 1 10 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.755 0.059 19954 6428 1 10 . 1 1 77 77 LEU CA C 77 55.175 55.175 59.051 -3.876 19954 6429 1 10 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.597 -1.723 19954 6430 1 10 . 1 1 77 77 LEU H H 77 8.756 8.756 8.607 0.149 19954 6431 1 10 . 1 1 78 78 ASP N N 78 120.181 120.181 118.310 1.871 19954 6432 1 10 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.236 0.059 19954 6433 1 10 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.653 -2.850 19954 6434 1 10 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.485 -2.662 19954 6435 1 10 . 1 1 78 78 ASP H H 78 7.891 7.891 8.011 -0.120 19954 6436 1 10 . 1 1 79 79 GLU N N 79 120.503 120.503 118.473 2.030 19954 6437 1 10 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.006 0.012 19954 6438 1 10 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.127 -2.653 19954 6439 1 10 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.321 -2.117 19954 6440 1 10 . 1 1 79 79 GLU H H 79 7.502 7.502 8.199 -0.697 19954 6441 1 10 . 1 1 80 80 THR N N 80 111.013 111.013 115.907 -4.894 19954 6442 1 10 . 1 1 80 80 THR HA H 80 4.151 4.151 3.943 0.208 19954 6443 1 10 . 1 1 80 80 THR CA C 80 61.984 61.984 65.310 -3.326 19954 6444 1 10 . 1 1 80 80 THR CB C 80 67.420 67.420 68.576 -1.156 19954 6445 1 10 . 1 1 80 80 THR H H 80 7.883 7.883 7.954 -0.071 19954 6446 1 10 . 1 1 81 81 ARG N N 81 120.172 120.172 120.936 -0.764 19954 6447 1 10 . 1 1 81 81 ARG HA H 81 4.079 4.079 3.994 0.085 19954 6448 1 10 . 1 1 81 81 ARG CA C 81 55.137 55.137 59.007 -3.870 19954 6449 1 10 . 1 1 81 81 ARG H H 81 7.471 7.471 8.359 -0.888 19954 6450 1 10 . 1 1 82 82 SER N N 82 113.571 113.571 112.838 0.733 19954 6451 1 10 . 1 1 82 82 SER HA H 82 4.329 4.329 4.259 0.070 19954 6452 1 10 . 1 1 82 82 SER CA C 82 56.193 56.193 60.708 -4.515 19954 6453 1 10 . 1 1 82 82 SER CB C 82 72.312 72.312 63.354 8.958 19954 6454 1 10 . 1 1 82 82 SER H H 82 7.744 7.744 8.001 -0.257 19954 6455 1 10 . 1 1 83 83 ASN N N 83 119.990 119.990 116.527 3.463 19954 6456 1 10 . 1 1 83 83 ASN HA H 83 4.742 4.742 5.001 -0.259 19954 6457 1 10 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.508 -3.345 19954 6458 1 10 . 1 1 83 83 ASN H H 83 7.792 7.792 7.979 -0.187 19954 6459 1 10 . 1 1 84 84 SER N N 84 116.799 116.799 113.119 3.680 19954 6460 1 10 . 1 1 84 84 SER HA H 84 4.291 4.291 4.518 -0.227 19954 6461 1 10 . 1 1 84 84 SER CA C 84 56.325 56.325 57.758 -1.433 19954 6462 1 10 . 1 1 84 84 SER H H 84 8.352 8.352 8.021 0.331 19954 6463 1 10 . 1 1 85 85 ASN N N 85 120.087 120.087 118.757 1.330 19954 6464 1 10 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.908 -0.241 19954 6465 1 10 . 1 1 85 85 ASN CA C 85 50.808 50.808 51.900 -1.092 19954 6466 1 10 . 1 1 85 85 ASN H H 85 8.362 8.362 8.211 0.151 19954 6467 1 10 . 1 1 86 86 SER N N 86 116.068 116.068 113.272 2.796 19954 6468 1 10 . 1 1 86 86 SER HA H 86 4.362 4.362 4.432 -0.070 19954 6469 1 10 . 1 1 86 86 SER CA C 86 55.853 55.853 57.847 -1.994 19954 6470 1 10 . 1 1 86 86 SER H H 86 8.102 8.102 8.057 0.045 19954 6471 1 10 . 1 1 87 87 SER N N 87 117.615 117.615 114.553 3.062 19954 6472 1 10 . 1 1 87 87 SER HA H 87 4.302 4.302 4.885 -0.583 19954 6473 1 10 . 1 1 87 87 SER CA C 87 55.608 55.608 58.608 -3.000 19954 6474 1 10 . 1 1 87 87 SER H H 87 8.269 8.269 8.339 -0.070 19954 6475 1 10 . 1 1 88 88 SER N N 88 122.455 122.455 118.468 3.987 19954 6476 1 10 . 1 1 88 88 SER CA C 88 53.710 53.710 59.311 -5.601 19954 6477 1 10 . 1 1 88 88 SER H H 88 8.377 8.377 8.698 -0.321 19954 6478 1 10 . 1 1 89 89 ASN N N 89 115.430 115.430 119.920 -4.490 19954 6479 1 10 . 1 1 89 89 ASN CA C 89 58.900 58.900 54.791 4.109 19954 6480 1 10 . 1 1 89 89 ASN H H 89 8.141 8.141 8.588 -0.447 19954 6481 1 10 . 1 1 90 90 LYS N N 90 128.071 128.071 118.614 9.457 19954 6482 1 10 . 1 1 90 90 LYS CA C 90 55.381 55.381 53.952 1.429 19954 6483 1 10 . 1 1 90 90 LYS H H 90 7.961 7.961 7.927 0.034 19954 6484 1 10 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.611 -1.206 19954 6485 1 10 . 1 1 91 91 PRO CA C 91 60.621 60.621 63.158 -2.537 19954 6486 1 10 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.523 -3.830 19954 6487 1 10 . 1 1 92 92 GLY N N 92 112.403 112.403 106.693 5.710 19954 6488 1 10 . 1 1 92 92 GLY CA C 92 43.305 43.305 45.979 -2.674 19954 6489 1 10 . 1 1 92 92 GLY H H 92 10.139 10.139 8.759 1.380 19954 6490 1 10 . 1 1 93 93 THR N N 93 106.254 106.254 109.808 -3.554 19954 6491 1 10 . 1 1 93 93 THR HA H 93 4.527 4.527 5.026 -0.499 19954 6492 1 10 . 1 1 93 93 THR CA C 93 56.663 56.663 60.589 -3.925 19954 6493 1 10 . 1 1 93 93 THR CB C 93 70.927 70.927 71.078 -0.151 19954 6494 1 10 . 1 1 93 93 THR H H 93 7.180 7.180 7.590 -0.410 19954 6495 1 10 . 1 1 94 94 CYS N N 94 121.465 121.465 122.569 -1.104 19954 6496 1 10 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.591 -0.141 19954 6497 1 10 . 1 1 94 94 CYS CA C 94 60.867 60.867 64.071 -3.204 19954 6498 1 10 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.096 -1.850 19954 6499 1 10 . 1 1 94 94 CYS H H 94 8.777 8.777 8.729 0.048 19954 6500 1 10 . 1 1 95 95 ALA N N 95 119.619 119.619 121.031 -1.412 19954 6501 1 10 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.768 0.074 19954 6502 1 10 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.452 -2.707 19954 6503 1 10 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.826 -2.122 19954 6504 1 10 . 1 1 95 95 ALA H H 95 8.392 8.392 8.428 -0.036 19954 6505 1 10 . 1 1 96 96 HIS N N 96 118.081 118.081 117.826 0.255 19954 6506 1 10 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.236 -0.030 19954 6507 1 10 . 1 1 96 96 HIS CA C 96 57.691 57.691 58.970 -1.279 19954 6508 1 10 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.169 -2.084 19954 6509 1 10 . 1 1 96 96 HIS H H 96 7.631 7.631 7.948 -0.317 19954 6510 1 10 . 1 1 97 97 ALA N N 97 123.652 123.652 122.822 0.830 19954 6511 1 10 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.093 -0.152 19954 6512 1 10 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.586 -2.428 19954 6513 1 10 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.584 -0.920 19954 6514 1 10 . 1 1 97 97 ALA H H 97 7.347 7.347 8.570 -1.224 19954 6515 1 10 . 1 1 98 98 ILE N N 98 115.278 115.278 118.586 -3.308 19954 6516 1 10 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.546 -0.022 19954 6517 1 10 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.898 -2.915 19954 6518 1 10 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.336 -1.669 19954 6519 1 10 . 1 1 98 98 ILE H H 98 7.916 7.916 8.433 -0.517 19954 6520 1 10 . 1 1 99 99 ASN N N 99 120.684 120.684 118.349 2.335 19954 6521 1 10 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.464 -0.060 19954 6522 1 10 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.766 -2.627 19954 6523 1 10 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.509 -2.264 19954 6524 1 10 . 1 1 99 99 ASN H H 99 7.978 7.978 8.140 -0.162 19954 6525 1 10 . 1 1 100 100 THR N N 100 117.791 117.791 116.924 0.867 19954 6526 1 10 . 1 1 100 100 THR HA H 100 3.630 3.630 4.063 -0.433 19954 6527 1 10 . 1 1 100 100 THR CA C 100 63.899 63.899 66.620 -2.721 19954 6528 1 10 . 1 1 100 100 THR CB C 100 66.038 66.038 68.861 -2.823 19954 6529 1 10 . 1 1 100 100 THR H H 100 8.295 8.295 8.340 -0.045 19954 6530 1 10 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.895 -0.177 19954 6531 1 10 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.095 -3.670 19954 6532 1 10 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.717 -0.529 19954 6533 1 10 . 1 1 101 101 LEU H H 101 7.825 7.825 8.450 -0.625 19954 6534 1 10 . 1 1 102 102 GLY N N 102 105.767 105.767 103.911 1.856 19954 6535 1 10 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.826 -1.485 19954 6536 1 10 . 1 1 102 102 GLY H H 102 8.591 8.591 8.541 0.050 19954 6537 1 10 . 1 1 103 103 GLU N N 103 116.366 116.366 120.166 -3.800 19954 6538 1 10 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.318 -0.251 19954 6539 1 10 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.920 -2.474 19954 6540 1 10 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.155 -2.778 19954 6541 1 10 . 1 1 103 103 GLU H H 103 7.471 7.471 7.908 -0.437 19954 6542 1 10 . 1 1 104 104 VAL N N 104 108.377 108.377 113.592 -5.215 19954 6543 1 10 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.323 0.433 19954 6544 1 10 . 1 1 104 104 VAL CA C 104 57.855 57.855 63.239 -5.384 19954 6545 1 10 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.374 -2.496 19954 6546 1 10 . 1 1 104 104 VAL H H 104 7.016 7.016 7.836 -0.820 19954 6547 1 10 . 1 1 105 105 ILE N N 105 123.784 123.784 122.652 1.132 19954 6548 1 10 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.509 0.245 19954 6549 1 10 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.314 -5.914 19954 6550 1 10 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.489 -2.078 19954 6551 1 10 . 1 1 105 105 ILE H H 105 7.197 7.197 8.618 -1.421 19954 6552 1 10 . 1 1 106 106 GLN N N 106 121.117 121.117 118.822 2.295 19954 6553 1 10 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.885 -0.230 19954 6554 1 10 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.306 -0.972 19954 6555 1 10 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.217 -0.325 19954 6556 1 10 . 1 1 106 106 GLN H H 106 8.549 8.549 8.536 0.013 19954 6557 1 10 . 1 1 107 107 GLU N N 107 122.716 122.716 121.459 1.257 19954 6558 1 10 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.016 -0.179 19954 6559 1 10 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.597 -2.009 19954 6560 1 10 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.864 -2.330 19954 6561 1 10 . 1 1 107 107 GLU H H 107 7.762 7.762 8.045 -0.283 19954 6562 1 10 . 1 1 108 108 LEU N N 108 116.615 116.615 120.838 -4.223 19954 6563 1 10 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.881 0.099 19954 6564 1 10 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.820 -3.026 19954 6565 1 10 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.626 -3.128 19954 6566 1 10 . 1 1 108 108 LEU H H 108 8.016 8.016 7.754 0.262 19954 6567 1 10 . 1 1 109 109 LEU N N 109 118.708 118.708 118.724 -0.016 19954 6568 1 10 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.710 0.130 19954 6569 1 10 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.368 -2.642 19954 6570 1 10 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.377 -0.055 19954 6571 1 10 . 1 1 109 109 LEU H H 109 8.801 8.801 8.477 0.324 19954 6572 1 10 . 1 1 110 110 SER N N 110 114.083 114.083 114.176 -0.093 19954 6573 1 10 . 1 1 110 110 SER HA H 110 3.848 3.848 3.468 0.380 19954 6574 1 10 . 1 1 110 110 SER CA C 110 60.127 60.127 61.041 -0.914 19954 6575 1 10 . 1 1 110 110 SER CB C 110 60.300 60.300 61.347 -1.047 19954 6576 1 10 . 1 1 110 110 SER H H 110 8.161 8.161 7.735 0.426 19954 6577 1 10 . 1 1 111 111 ASP N N 111 120.151 120.151 123.295 -3.144 19954 6578 1 10 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.149 0.193 19954 6579 1 10 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.104 -2.337 19954 6580 1 10 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.106 -0.362 19954 6581 1 10 . 1 1 111 111 ASP H H 111 7.614 7.614 7.787 -0.173 19954 6582 1 10 . 1 1 112 112 ALA N N 112 116.927 116.927 122.424 -5.497 19954 6583 1 10 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.845 -0.256 19954 6584 1 10 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.402 -2.679 19954 6585 1 10 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.441 -0.794 19954 6586 1 10 . 1 1 112 112 ALA H H 112 7.662 7.662 8.085 -0.423 19954 6587 1 10 . 1 1 113 113 ILE N N 113 119.039 119.039 118.680 0.359 19954 6588 1 10 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.718 -0.491 19954 6589 1 10 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.509 -0.829 19954 6590 1 10 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.100 -0.941 19954 6591 1 10 . 1 1 113 113 ILE H H 113 8.681 8.681 8.030 0.651 19954 6592 1 10 . 1 1 114 114 ALA N N 114 120.055 120.055 123.311 -3.256 19954 6593 1 10 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.953 -0.046 19954 6594 1 10 . 1 1 114 114 ALA CA C 114 52.588 52.588 55.017 -2.429 19954 6595 1 10 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.134 -2.003 19954 6596 1 10 . 1 1 114 114 ALA H H 114 7.716 7.716 8.043 -0.327 19954 6597 1 10 . 1 1 115 115 LYS N N 115 113.845 113.845 118.040 -4.195 19954 6598 1 10 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.042 0.041 19954 6599 1 10 . 1 1 115 115 LYS CA C 115 53.955 53.955 58.071 -4.116 19954 6600 1 10 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.825 -1.192 19954 6601 1 10 . 1 1 115 115 LYS H H 115 7.248 7.248 8.387 -1.139 19954 6602 1 10 . 1 1 116 116 SER N N 116 115.794 115.794 114.074 1.720 19954 6603 1 10 . 1 1 116 116 SER HA H 116 4.503 4.503 4.312 0.191 19954 6604 1 10 . 1 1 116 116 SER CA C 116 57.848 57.848 58.979 -1.131 19954 6605 1 10 . 1 1 116 116 SER CB C 116 63.380 63.380 64.186 -0.806 19954 6606 1 10 . 1 1 116 116 SER H H 116 7.124 7.124 8.065 -0.941 19954 6607 1 10 . 1 1 117 117 ASN N N 117 119.747 119.747 118.235 1.512 19954 6608 1 10 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.773 -0.251 19954 6609 1 10 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.493 -2.151 19954 6610 1 10 . 1 1 117 117 ASN CB C 117 35.282 35.282 40.335 -5.053 19954 6611 1 10 . 1 1 117 117 ASN H H 117 8.457 8.457 8.420 0.037 19954 6612 1 10 . 1 1 118 118 GLN N N 118 117.591 117.591 120.643 -3.052 19954 6613 1 10 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.850 -0.073 19954 6614 1 10 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.460 -3.276 19954 6615 1 10 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.121 3.420 19954 6616 1 10 . 1 1 118 118 GLN H H 118 8.418 8.418 8.877 -0.459 19954 6617 1 10 . 1 1 119 119 ASP N N 119 119.281 119.281 117.621 1.660 19954 6618 1 10 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.476 -0.186 19954 6619 1 10 . 1 1 119 119 ASP CA C 119 54.593 54.593 56.966 -2.373 19954 6620 1 10 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.358 -1.455 19954 6621 1 10 . 1 1 119 119 ASP H H 119 7.973 7.973 8.544 -0.571 19954 6622 1 10 . 1 1 120 120 HIS N N 120 118.871 118.871 117.782 1.089 19954 6623 1 10 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.074 0.266 19954 6624 1 10 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.958 -3.200 19954 6625 1 10 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.629 -1.901 19954 6626 1 10 . 1 1 120 120 HIS H H 120 8.702 8.702 8.392 0.310 19954 6627 1 10 . 1 1 121 121 LYS N N 121 120.739 120.739 118.794 1.945 19954 6628 1 10 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.948 -0.180 19954 6629 1 10 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.394 0.291 19954 6630 1 10 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.641 -0.717 19954 6631 1 10 . 1 1 121 121 LYS H H 121 8.990 8.990 8.863 0.127 19954 6632 1 10 . 1 1 122 122 GLU N N 122 117.889 117.889 119.546 -1.657 19954 6633 1 10 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.010 0.052 19954 6634 1 10 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.440 -3.335 19954 6635 1 10 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.152 -2.461 19954 6636 1 10 . 1 1 122 122 GLU H H 122 7.615 7.615 8.105 -0.490 19954 6637 1 10 . 1 1 123 123 LYS N N 123 119.139 119.139 119.085 0.054 19954 6638 1 10 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.050 -0.091 19954 6639 1 10 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.529 -1.927 19954 6640 1 10 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.701 -1.478 19954 6641 1 10 . 1 1 123 123 LYS H H 123 7.550 7.550 7.692 -0.142 19954 6642 1 10 . 1 1 124 124 ILE N N 124 123.103 123.103 120.049 3.054 19954 6643 1 10 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.415 -0.189 19954 6644 1 10 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.861 -2.177 19954 6645 1 10 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.544 -2.801 19954 6646 1 10 . 1 1 124 124 ILE H H 124 8.356 8.356 7.752 0.604 19954 6647 1 10 . 1 1 125 125 ARG N N 125 122.162 122.162 119.811 2.351 19954 6648 1 10 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.842 -0.736 19954 6649 1 10 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.442 -1.418 19954 6650 1 10 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.089 1.882 19954 6651 1 10 . 1 1 125 125 ARG H H 125 7.988 7.988 7.725 0.263 19954 6652 1 10 . 1 1 126 126 MET N N 126 115.215 115.215 119.024 -3.809 19954 6653 1 10 . 1 1 126 126 MET HA H 126 3.973 3.973 4.135 -0.162 19954 6654 1 10 . 1 1 126 126 MET CA C 126 55.896 55.896 57.732 -1.836 19954 6655 1 10 . 1 1 126 126 MET CB C 126 29.856 29.856 31.938 -2.082 19954 6656 1 10 . 1 1 126 126 MET H H 126 7.455 7.455 7.778 -0.323 19954 6657 1 10 . 1 1 127 127 LEU N N 127 122.351 122.351 120.613 1.738 19954 6658 1 10 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.689 -0.137 19954 6659 1 10 . 1 1 127 127 LEU CA C 127 54.788 54.788 58.096 -3.308 19954 6660 1 10 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.203 -1.925 19954 6661 1 10 . 1 1 127 127 LEU H H 127 7.479 7.479 7.857 -0.378 19954 6662 1 10 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.631 0.252 19954 6663 1 10 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.543 -3.196 19954 6664 1 10 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.400 -2.591 19954 6665 1 10 . 1 1 128 128 LEU H H 128 7.841 7.841 7.893 -0.052 19954 6666 1 10 . 1 1 129 129 ASP N N 129 116.915 116.915 119.693 -2.778 19954 6667 1 10 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.329 0.058 19954 6668 1 10 . 1 1 129 129 ASP CA C 129 52.599 52.599 58.258 -5.659 19954 6669 1 10 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.796 -2.930 19954 6670 1 10 . 1 1 129 129 ASP H H 129 7.034 7.034 7.655 -0.621 19954 6671 1 10 . 1 1 130 130 ILE N N 130 124.155 124.155 120.253 3.902 19954 6672 1 10 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.682 -0.039 19954 6673 1 10 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.778 -2.402 19954 6674 1 10 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.903 -3.119 19954 6675 1 10 . 1 1 130 130 ILE H H 130 7.671 7.671 7.627 0.044 19954 6676 1 10 . 1 1 131 131 TRP N N 131 125.421 125.421 120.738 4.683 19954 6677 1 10 . 1 1 131 131 TRP H H 131 8.831 8.831 8.149 0.682 19954 6678 1 10 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.900 2.539 19954 6679 1 10 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.284 0.199 19954 6680 1 10 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.119 -4.382 19954 6681 1 10 . 1 1 144 144 ALA N N 144 121.013 121.013 122.519 -1.506 19954 6682 1 10 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.082 0.022 19954 6683 1 10 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.873 -2.195 19954 6684 1 10 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.577 -3.201 19954 6685 1 10 . 1 1 144 144 ALA H H 144 8.212 8.212 8.160 0.052 19954 6686 1 10 . 1 1 145 145 ILE N N 145 117.646 117.646 115.499 2.147 19954 6687 1 10 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.887 -0.059 19954 6688 1 10 . 1 1 145 145 ILE CA C 145 58.344 58.344 63.002 -4.658 19954 6689 1 10 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.556 0.586 19954 6690 1 10 . 1 1 145 145 ILE H H 145 7.183 7.183 7.860 -0.677 19954 6691 1 10 . 1 1 146 146 ARG N N 146 121.150 121.150 121.603 -0.453 19954 6692 1 10 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.933 -0.031 19954 6693 1 10 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.983 -0.519 19954 6694 1 10 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.089 -2.306 19954 6695 1 10 . 1 1 146 146 ARG H H 146 8.477 8.477 7.757 0.720 19954 6696 1 10 . 1 1 147 147 SER N N 147 111.836 111.836 116.638 -4.802 19954 6697 1 10 . 1 1 147 147 SER HA H 147 4.162 4.162 4.488 -0.326 19954 6698 1 10 . 1 1 147 147 SER CA C 147 58.642 58.642 58.332 0.310 19954 6699 1 10 . 1 1 147 147 SER CB C 147 60.972 60.972 62.866 -1.894 19954 6700 1 10 . 1 1 147 147 SER H H 147 8.187 8.187 7.892 0.295 19954 6701 1 10 . 1 1 148 148 LYS N N 148 118.675 118.675 124.346 -5.671 19954 6702 1 10 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.922 0.216 19954 6703 1 10 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.631 -3.614 19954 6704 1 10 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.833 -0.053 19954 6705 1 10 . 1 1 148 148 LYS H H 148 7.837 7.837 8.172 -0.335 19954 6706 1 10 . 1 1 149 149 CYS N N 149 113.256 113.256 117.683 -4.427 19954 6707 1 10 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.028 0.564 19954 6708 1 10 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.874 -10.862 19954 6709 1 10 . 1 1 149 149 CYS H H 149 8.267 8.267 8.280 -0.013 19954 6710 1 10 . 1 1 150 150 PHE N N 150 116.623 116.623 120.112 -3.489 19954 6711 1 10 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.013 0.931 19954 6712 1 10 . 1 1 150 150 PHE CA C 150 54.409 54.409 62.030 -7.621 19954 6713 1 10 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.593 -0.540 19954 6714 1 10 . 1 1 150 150 PHE H H 150 7.373 7.373 8.503 -1.130 19954 6715 1 10 . 1 1 151 151 ALA N N 151 122.583 122.583 121.239 1.344 19954 6716 1 10 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.816 0.363 19954 6717 1 10 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.265 -4.624 19954 6718 1 10 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.282 -2.343 19954 6719 1 10 . 1 1 151 151 ALA H H 151 7.710 7.710 8.506 -0.796 19954 6720 1 10 . 1 1 152 152 MET N N 152 118.250 118.250 115.869 2.381 19954 6721 1 10 . 1 1 152 152 MET HA H 152 4.262 4.262 3.911 0.351 19954 6722 1 10 . 1 1 152 152 MET CA C 152 53.482 53.482 59.061 -5.579 19954 6723 1 10 . 1 1 152 152 MET CB C 152 30.488 30.488 32.067 -1.579 19954 6724 1 10 . 1 1 152 152 MET H H 152 8.086 8.086 8.407 -0.321 19954 6725 1 10 . 1 1 153 153 ASP N N 153 121.780 121.780 118.350 3.430 19954 6726 1 10 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.440 0.038 19954 6727 1 10 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.780 -5.154 19954 6728 1 10 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.695 -3.235 19954 6729 1 10 . 1 1 153 153 ASP H H 153 8.299 8.299 7.857 0.442 19954 6730 1 10 . 1 1 154 154 LEU N N 154 122.337 122.337 116.201 6.136 19954 6731 1 10 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.097 0.011 19954 6732 1 10 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.865 -4.012 19954 6733 1 10 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.501 -1.785 19954 6734 1 10 . 1 1 154 154 LEU H H 154 8.072 8.072 7.720 0.352 19954 6735 1 10 . 1 1 155 155 GLU N N 155 119.995 119.995 119.294 0.701 19954 6736 1 10 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.008 -0.013 19954 6737 1 10 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.814 -3.515 19954 6738 1 10 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.108 -1.474 19954 6739 1 10 . 1 1 155 155 GLU H H 155 8.151 8.151 8.112 0.039 19954 6740 1 10 . 1 1 156 156 HIS N N 156 118.980 118.980 123.315 -4.335 19954 6741 1 10 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.405 -0.185 19954 6742 1 10 . 1 1 156 156 HIS CA C 156 53.443 53.443 58.043 -4.600 19954 6743 1 10 . 1 1 156 156 HIS H H 156 8.007 8.007 8.326 -0.319 19954 6744 1 10 . 1 1 157 157 HIS N N 157 121.956 121.956 118.838 3.118 19954 6745 1 10 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.527 -0.116 19954 6746 1 10 . 1 1 157 157 HIS CA C 157 53.252 53.252 55.309 -2.057 19954 6747 1 10 . 1 1 157 157 HIS H H 157 8.580 8.580 8.340 0.240 19954 6748 1 10 . 1 1 158 158 HIS N N 158 125.474 125.474 123.067 2.407 19954 6749 1 10 . 1 1 158 158 HIS CA C 158 54.628 54.628 56.749 -2.121 19954 6750 1 10 . 1 1 158 158 HIS H H 158 7.906 7.906 8.594 -0.688 19954 6751 1 11 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.589 -0.274 19954 6752 1 11 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.447 -3.732 19954 6753 1 11 . 1 1 5 5 ASP N N 5 120.880 120.880 121.204 -0.324 19954 6754 1 11 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.706 -0.252 19954 6755 1 11 . 1 1 5 5 ASP CA C 5 52.575 52.575 54.519 -1.944 19954 6756 1 11 . 1 1 5 5 ASP CB C 5 38.724 38.724 42.014 -3.290 19954 6757 1 11 . 1 1 5 5 ASP H H 5 8.277 8.277 8.615 -0.338 19954 6758 1 11 . 1 1 6 6 ASP N N 6 120.876 120.876 120.246 0.630 19954 6759 1 11 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.853 -0.371 19954 6760 1 11 . 1 1 6 6 ASP CA C 6 52.962 52.962 55.864 -2.902 19954 6761 1 11 . 1 1 6 6 ASP CB C 6 38.558 38.558 41.652 -3.094 19954 6762 1 11 . 1 1 6 6 ASP H H 6 8.497 8.497 8.134 0.363 19954 6763 1 11 . 1 1 7 7 PHE N N 7 122.789 122.789 119.644 3.145 19954 6764 1 11 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.417 -0.308 19954 6765 1 11 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.806 -1.936 19954 6766 1 11 . 1 1 7 7 PHE CB C 7 36.667 36.667 38.986 -2.319 19954 6767 1 11 . 1 1 7 7 PHE H H 7 8.337 8.337 8.692 -0.355 19954 6768 1 11 . 1 1 8 8 GLN N N 8 116.255 116.255 119.090 -2.835 19954 6769 1 11 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.961 -0.212 19954 6770 1 11 . 1 1 8 8 GLN CA C 8 55.726 55.726 60.119 -4.393 19954 6771 1 11 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.138 -3.350 19954 6772 1 11 . 1 1 8 8 GLN H H 8 8.488 8.488 8.735 -0.247 19954 6773 1 11 . 1 1 9 9 ASN N N 9 118.242 118.242 117.769 0.473 19954 6774 1 11 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.364 -0.050 19954 6775 1 11 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.709 -3.134 19954 6776 1 11 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.254 -2.001 19954 6777 1 11 . 1 1 9 9 ASN H H 9 7.801 7.801 7.778 0.023 19954 6778 1 11 . 1 1 10 10 PHE N N 10 124.982 124.982 121.126 3.856 19954 6779 1 11 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.792 -0.338 19954 6780 1 11 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.298 -2.304 19954 6781 1 11 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.252 -3.217 19954 6782 1 11 . 1 1 10 10 PHE H H 10 6.924 6.924 7.413 -0.489 19954 6783 1 11 . 1 1 11 11 VAL N N 11 118.513 118.513 118.940 -0.427 19954 6784 1 11 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.118 -0.284 19954 6785 1 11 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.638 -2.407 19954 6786 1 11 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.056 -0.978 19954 6787 1 11 . 1 1 11 11 VAL H H 11 7.448 7.448 7.836 -0.388 19954 6788 1 11 . 1 1 12 12 ALA N N 12 119.214 119.214 121.385 -2.171 19954 6789 1 11 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.783 0.101 19954 6790 1 11 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.652 -3.226 19954 6791 1 11 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.950 -2.301 19954 6792 1 11 . 1 1 12 12 ALA H H 12 8.028 8.028 8.497 -0.469 19954 6793 1 11 . 1 1 13 13 THR N N 13 116.435 116.435 116.068 0.367 19954 6794 1 11 . 1 1 13 13 THR HA H 13 3.624 3.624 3.930 -0.306 19954 6795 1 11 . 1 1 13 13 THR CA C 13 64.041 64.041 66.477 -2.436 19954 6796 1 11 . 1 1 13 13 THR CB C 13 65.118 65.118 68.283 -3.165 19954 6797 1 11 . 1 1 13 13 THR H H 13 7.638 7.638 7.785 -0.147 19954 6798 1 11 . 1 1 14 14 LEU N N 14 126.284 126.284 121.903 4.381 19954 6799 1 11 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.608 0.022 19954 6800 1 11 . 1 1 14 14 LEU CA C 14 55.487 55.487 58.026 -2.539 19954 6801 1 11 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.250 -2.398 19954 6802 1 11 . 1 1 14 14 LEU H H 14 7.975 7.975 7.521 0.454 19954 6803 1 11 . 1 1 15 15 GLU N N 15 116.145 116.145 118.265 -2.120 19954 6804 1 11 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.864 -0.047 19954 6805 1 11 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.983 -3.589 19954 6806 1 11 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.186 -2.278 19954 6807 1 11 . 1 1 15 15 GLU H H 15 8.503 8.503 8.574 -0.071 19954 6808 1 11 . 1 1 16 16 SER N N 16 114.452 114.452 115.537 -1.085 19954 6809 1 11 . 1 1 16 16 SER HA H 16 4.196 4.196 4.126 0.070 19954 6810 1 11 . 1 1 16 16 SER CA C 16 58.515 58.515 61.188 -2.673 19954 6811 1 11 . 1 1 16 16 SER CB C 16 60.155 60.155 62.917 -2.762 19954 6812 1 11 . 1 1 16 16 SER H H 16 7.643 7.643 8.123 -0.480 19954 6813 1 11 . 1 1 17 17 PHE N N 17 124.020 124.020 122.212 1.808 19954 6814 1 11 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.103 -0.279 19954 6815 1 11 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.499 -2.164 19954 6816 1 11 . 1 1 17 17 PHE CB C 17 36.854 36.854 39.082 -2.228 19954 6817 1 11 . 1 1 17 17 PHE H H 17 8.082 8.082 7.930 0.152 19954 6818 1 11 . 1 1 18 18 LYS N N 18 116.570 116.570 118.100 -1.530 19954 6819 1 11 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.173 -0.226 19954 6820 1 11 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.200 -2.345 19954 6821 1 11 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.739 -2.287 19954 6822 1 11 . 1 1 18 18 LYS H H 18 7.849 7.849 7.927 -0.078 19954 6823 1 11 . 1 1 19 19 ASP N N 19 116.332 116.332 119.677 -3.345 19954 6824 1 11 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.479 0.060 19954 6825 1 11 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.940 -3.783 19954 6826 1 11 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.515 -2.812 19954 6827 1 11 . 1 1 19 19 ASP H H 19 7.276 7.276 7.726 -0.450 19954 6828 1 11 . 1 1 20 20 LEU N N 20 119.769 119.769 119.617 0.152 19954 6829 1 11 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.302 0.097 19954 6830 1 11 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.709 -3.710 19954 6831 1 11 . 1 1 20 20 LEU H H 20 7.226 7.226 7.494 -0.268 19954 6832 1 11 . 1 1 21 21 LYS N N 21 126.041 126.041 120.764 5.277 19954 6833 1 11 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.534 -0.471 19954 6834 1 11 . 1 1 21 21 LYS CA C 21 56.849 56.849 55.308 1.541 19954 6835 1 11 . 1 1 21 21 LYS CB C 21 31.634 31.634 30.228 1.406 19954 6836 1 11 . 1 1 21 21 LYS H H 21 9.203 9.203 8.435 0.768 19954 6837 1 11 . 1 1 22 22 SER N N 22 109.885 109.885 114.405 -4.520 19954 6838 1 11 . 1 1 22 22 SER HA H 22 4.322 4.322 4.129 0.193 19954 6839 1 11 . 1 1 22 22 SER CA C 22 55.254 55.254 59.008 -3.755 19954 6840 1 11 . 1 1 22 22 SER CB C 22 62.254 62.254 62.128 0.126 19954 6841 1 11 . 1 1 22 22 SER H H 22 8.607 8.607 8.114 0.493 19954 6842 1 11 . 1 1 23 23 GLY N N 23 106.286 106.286 109.239 -2.953 19954 6843 1 11 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.982 -1.002 19954 6844 1 11 . 1 1 23 23 GLY H H 23 6.619 6.619 8.447 -1.828 19954 6845 1 11 . 1 1 24 24 ILE N N 24 118.883 118.883 119.030 -0.147 19954 6846 1 11 . 1 1 24 24 ILE HA H 24 3.984 3.984 3.622 0.362 19954 6847 1 11 . 1 1 24 24 ILE CA C 24 59.167 59.167 61.291 -2.124 19954 6848 1 11 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.427 2.219 19954 6849 1 11 . 1 1 24 24 ILE H H 24 7.929 7.929 8.127 -0.198 19954 6850 1 11 . 1 1 25 25 SER N N 25 117.952 117.952 118.361 -0.409 19954 6851 1 11 . 1 1 25 25 SER HA H 25 5.093 5.093 4.483 0.610 19954 6852 1 11 . 1 1 25 25 SER CA C 25 52.534 52.534 57.663 -5.129 19954 6853 1 11 . 1 1 25 25 SER CB C 25 61.938 61.938 64.033 -2.095 19954 6854 1 11 . 1 1 25 25 SER H H 25 5.660 5.660 7.696 -2.036 19954 6855 1 11 . 1 1 26 26 GLY N N 26 120.266 120.266 114.859 5.407 19954 6856 1 11 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.474 -1.987 19954 6857 1 11 . 1 1 26 26 GLY H H 26 8.596 8.596 9.107 -0.511 19954 6858 1 11 . 1 1 27 27 SER N N 27 120.500 120.500 117.392 3.108 19954 6859 1 11 . 1 1 27 27 SER HA H 27 4.410 4.410 4.209 0.201 19954 6860 1 11 . 1 1 27 27 SER CA C 27 58.793 58.793 61.706 -2.913 19954 6861 1 11 . 1 1 27 27 SER CB C 27 62.224 62.224 62.735 -0.511 19954 6862 1 11 . 1 1 27 27 SER H H 27 9.846 9.846 8.252 1.594 19954 6863 1 11 . 1 1 28 28 ARG N N 28 123.779 123.779 120.922 2.857 19954 6864 1 11 . 1 1 28 28 ARG HA H 28 3.885 3.885 4.048 -0.163 19954 6865 1 11 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.109 -2.269 19954 6866 1 11 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.485 -1.371 19954 6867 1 11 . 1 1 28 28 ARG H H 28 8.034 8.034 7.477 0.557 19954 6868 1 11 . 1 1 29 29 ILE N N 29 120.700 120.700 120.273 0.427 19954 6869 1 11 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.646 -0.174 19954 6870 1 11 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.287 -0.658 19954 6871 1 11 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.491 -1.823 19954 6872 1 11 . 1 1 29 29 ILE H H 29 8.374 8.374 7.740 0.634 19954 6873 1 11 . 1 1 30 30 LYS N N 30 124.209 124.209 120.443 3.766 19954 6874 1 11 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.940 0.088 19954 6875 1 11 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.282 -2.881 19954 6876 1 11 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.294 -3.014 19954 6877 1 11 . 1 1 30 30 LYS H H 30 8.231 8.231 8.157 0.074 19954 6878 1 11 . 1 1 31 31 LYS N N 31 120.422 120.422 119.679 0.743 19954 6879 1 11 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.068 -0.030 19954 6880 1 11 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.520 -1.902 19954 6881 1 11 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.145 -1.976 19954 6882 1 11 . 1 1 31 31 LYS H H 31 7.449 7.449 7.886 -0.437 19954 6883 1 11 . 1 1 32 32 LEU N N 32 118.348 118.348 119.580 -1.232 19954 6884 1 11 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.179 -0.118 19954 6885 1 11 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.768 -3.358 19954 6886 1 11 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.379 -1.597 19954 6887 1 11 . 1 1 32 32 LEU H H 32 8.186 8.186 8.086 0.100 19954 6888 1 11 . 1 1 33 33 THR N N 33 116.500 116.500 115.622 0.878 19954 6889 1 11 . 1 1 33 33 THR HA H 33 3.662 3.662 3.983 -0.321 19954 6890 1 11 . 1 1 33 33 THR CA C 33 64.726 64.726 67.518 -2.792 19954 6891 1 11 . 1 1 33 33 THR CB C 33 66.097 66.097 68.223 -2.126 19954 6892 1 11 . 1 1 33 33 THR H H 33 8.066 8.066 8.480 -0.414 19954 6893 1 11 . 1 1 34 34 THR N N 34 119.029 119.029 118.302 0.727 19954 6894 1 11 . 1 1 34 34 THR HA H 34 3.759 3.759 3.886 -0.127 19954 6895 1 11 . 1 1 34 34 THR CA C 34 64.291 64.291 66.561 -2.270 19954 6896 1 11 . 1 1 34 34 THR CB C 34 66.733 66.733 68.969 -2.236 19954 6897 1 11 . 1 1 34 34 THR H H 34 8.685 8.685 8.099 0.586 19954 6898 1 11 . 1 1 35 35 TYR N N 35 120.298 120.298 122.293 -1.995 19954 6899 1 11 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.029 0.173 19954 6900 1 11 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.510 -1.356 19954 6901 1 11 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.257 -2.247 19954 6902 1 11 . 1 1 35 35 TYR H H 35 7.663 7.663 8.216 -0.553 19954 6903 1 11 . 1 1 36 36 ALA N N 36 121.480 121.480 121.999 -0.519 19954 6904 1 11 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.889 0.023 19954 6905 1 11 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.916 -1.780 19954 6906 1 11 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.462 -3.589 19954 6907 1 11 . 1 1 36 36 ALA H H 36 8.543 8.543 8.421 0.122 19954 6908 1 11 . 1 1 37 37 LEU N N 37 120.767 120.767 118.659 2.108 19954 6909 1 11 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.971 0.132 19954 6910 1 11 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.394 -3.554 19954 6911 1 11 . 1 1 37 37 LEU CB C 37 40.182 40.182 42.084 -1.902 19954 6912 1 11 . 1 1 37 37 LEU H H 37 8.351 8.351 8.150 0.201 19954 6913 1 11 . 1 1 38 38 ASP N N 38 119.008 119.008 116.683 2.325 19954 6914 1 11 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.281 0.175 19954 6915 1 11 . 1 1 38 38 ASP CA C 38 52.140 52.140 55.711 -3.571 19954 6916 1 11 . 1 1 38 38 ASP CB C 38 38.899 38.899 40.977 -2.078 19954 6917 1 11 . 1 1 38 38 ASP H H 38 7.557 7.557 7.995 -0.438 19954 6918 1 11 . 1 1 39 39 HIS N N 39 118.142 118.142 117.249 0.893 19954 6919 1 11 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.634 -0.009 19954 6920 1 11 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.821 -2.675 19954 6921 1 11 . 1 1 39 39 HIS CB C 39 25.506 25.506 30.130 -4.624 19954 6922 1 11 . 1 1 39 39 HIS H H 39 7.094 7.094 7.448 -0.354 19954 6923 1 11 . 1 1 40 40 ILE N N 40 121.885 121.885 122.292 -0.407 19954 6924 1 11 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.866 -0.440 19954 6925 1 11 . 1 1 40 40 ILE CA C 40 62.593 62.593 60.850 1.743 19954 6926 1 11 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.406 -1.232 19954 6927 1 11 . 1 1 40 40 ILE H H 40 7.630 7.630 8.282 -0.652 19954 6928 1 11 . 1 1 41 41 ASP N N 41 114.814 114.814 118.044 -3.230 19954 6929 1 11 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.566 -0.380 19954 6930 1 11 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.592 -0.576 19954 6931 1 11 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.556 -3.720 19954 6932 1 11 . 1 1 41 41 ASP H H 41 8.433 8.433 8.494 -0.061 19954 6933 1 11 . 1 1 42 42 ILE N N 42 113.793 113.793 112.330 1.463 19954 6934 1 11 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.598 0.114 19954 6935 1 11 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.366 -2.125 19954 6936 1 11 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.261 -3.365 19954 6937 1 11 . 1 1 42 42 ILE H H 42 7.447 7.447 7.270 0.177 19954 6938 1 11 . 1 1 43 43 GLU N N 43 120.845 120.845 122.882 -2.037 19954 6939 1 11 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.164 -0.118 19954 6940 1 11 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.754 -2.986 19954 6941 1 11 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.736 -4.719 19954 6942 1 11 . 1 1 43 43 GLU H H 43 8.195 8.195 8.048 0.147 19954 6943 1 11 . 1 1 44 44 SER N N 44 113.781 113.781 115.959 -2.178 19954 6944 1 11 . 1 1 44 44 SER HA H 44 3.944 3.944 4.158 -0.214 19954 6945 1 11 . 1 1 44 44 SER CA C 44 59.590 59.590 62.099 -2.510 19954 6946 1 11 . 1 1 44 44 SER CB C 44 59.878 59.878 63.011 -3.133 19954 6947 1 11 . 1 1 44 44 SER H H 44 8.728 8.728 8.536 0.192 19954 6948 1 11 . 1 1 45 45 LYS N N 45 121.258 121.258 120.010 1.248 19954 6949 1 11 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.135 -0.056 19954 6950 1 11 . 1 1 45 45 LYS CA C 45 56.190 56.190 59.112 -2.922 19954 6951 1 11 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.768 -1.291 19954 6952 1 11 . 1 1 45 45 LYS H H 45 7.329 7.329 8.471 -1.142 19954 6953 1 11 . 1 1 46 46 ILE N N 46 121.022 121.022 121.683 -0.661 19954 6954 1 11 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.762 -0.399 19954 6955 1 11 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.055 -1.798 19954 6956 1 11 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.691 -0.799 19954 6957 1 11 . 1 1 46 46 ILE H H 46 7.360 7.360 8.035 -0.675 19954 6958 1 11 . 1 1 47 47 ILE N N 47 118.543 118.543 119.284 -0.741 19954 6959 1 11 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.610 0.129 19954 6960 1 11 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.141 -5.484 19954 6961 1 11 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.407 -4.279 19954 6962 1 11 . 1 1 47 47 ILE H H 47 9.378 9.378 8.143 1.235 19954 6963 1 11 . 1 1 48 48 SER N N 48 113.001 113.001 115.973 -2.972 19954 6964 1 11 . 1 1 48 48 SER HA H 48 4.016 4.016 4.150 -0.134 19954 6965 1 11 . 1 1 48 48 SER CA C 48 59.574 59.574 61.917 -2.343 19954 6966 1 11 . 1 1 48 48 SER CB C 48 60.341 60.341 63.153 -2.812 19954 6967 1 11 . 1 1 48 48 SER H H 48 7.382 7.382 8.642 -1.260 19954 6968 1 11 . 1 1 49 49 LEU N N 49 120.059 120.059 123.302 -3.243 19954 6969 1 11 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.137 0.033 19954 6970 1 11 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.360 -2.694 19954 6971 1 11 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.014 -2.264 19954 6972 1 11 . 1 1 49 49 LEU H H 49 7.477 7.477 8.260 -0.783 19954 6973 1 11 . 1 1 50 50 ILE N N 50 115.429 115.429 117.494 -2.065 19954 6974 1 11 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.497 0.596 19954 6975 1 11 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.037 -2.233 19954 6976 1 11 . 1 1 50 50 ILE H H 50 8.081 8.081 7.833 0.248 19954 6977 1 11 . 1 1 51 51 ILE N N 51 125.106 125.106 122.112 2.994 19954 6978 1 11 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.542 -0.087 19954 6979 1 11 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.228 -2.080 19954 6980 1 11 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.767 -2.048 19954 6981 1 11 . 1 1 51 51 ILE H H 51 8.194 8.194 8.270 -0.076 19954 6982 1 11 . 1 1 52 52 ASP N N 52 119.519 119.519 119.395 0.124 19954 6983 1 11 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.271 -0.027 19954 6984 1 11 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.393 -2.409 19954 6985 1 11 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.080 -3.215 19954 6986 1 11 . 1 1 52 52 ASP H H 52 7.850 7.850 8.154 -0.304 19954 6987 1 11 . 1 1 53 53 TYR N N 53 118.402 118.402 120.557 -2.155 19954 6988 1 11 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.005 -0.113 19954 6989 1 11 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.214 -1.469 19954 6990 1 11 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.461 -2.597 19954 6991 1 11 . 1 1 53 53 TYR H H 53 8.260 8.260 8.662 -0.402 19954 6992 1 11 . 1 1 54 54 SER N N 54 111.626 111.626 116.659 -5.033 19954 6993 1 11 . 1 1 54 54 SER HA H 54 4.058 4.058 4.001 0.057 19954 6994 1 11 . 1 1 54 54 SER CA C 54 58.733 58.733 60.838 -2.105 19954 6995 1 11 . 1 1 54 54 SER CB C 54 62.430 62.430 63.527 -1.097 19954 6996 1 11 . 1 1 54 54 SER H H 54 7.316 7.316 8.139 -0.823 19954 6997 1 11 . 1 1 55 55 ARG N N 55 114.937 114.937 122.313 -7.376 19954 6998 1 11 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.466 0.706 19954 6999 1 11 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.778 -1.505 19954 7000 1 11 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.325 -1.075 19954 7001 1 11 . 1 1 55 55 ARG H H 55 7.901 7.901 7.551 0.350 19954 7002 1 11 . 1 1 56 56 LEU N N 56 116.307 116.307 118.879 -2.572 19954 7003 1 11 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.997 0.206 19954 7004 1 11 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.809 -4.010 19954 7005 1 11 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.120 -1.252 19954 7006 1 11 . 1 1 56 56 LEU H H 56 7.802 7.802 7.697 0.105 19954 7007 1 11 . 1 1 57 57 CYS N N 57 119.062 119.062 117.170 1.892 19954 7008 1 11 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.184 0.056 19954 7009 1 11 . 1 1 57 57 CYS CA C 57 53.750 53.750 59.147 -5.397 19954 7010 1 11 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.707 -4.631 19954 7011 1 11 . 1 1 57 57 CYS H H 57 7.717 7.717 7.368 0.349 19954 7012 1 11 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.544 -0.199 19954 7013 1 11 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.794 -2.312 19954 7014 1 11 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.393 -2.233 19954 7015 1 11 . 1 1 59 59 ASP N N 59 123.671 123.671 118.278 5.393 19954 7016 1 11 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.107 -0.190 19954 7017 1 11 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.442 -2.628 19954 7018 1 11 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.678 -2.754 19954 7019 1 11 . 1 1 59 59 ASP H H 59 8.696 8.696 8.651 0.045 19954 7020 1 11 . 1 1 60 60 SER N N 60 110.600 110.600 115.437 -4.837 19954 7021 1 11 . 1 1 60 60 SER HA H 60 4.103 4.103 4.068 0.035 19954 7022 1 11 . 1 1 60 60 SER CA C 60 57.379 57.379 60.937 -3.558 19954 7023 1 11 . 1 1 60 60 SER CB C 60 61.562 61.562 62.845 -1.283 19954 7024 1 11 . 1 1 60 60 SER H H 60 8.119 8.119 8.429 -0.310 19954 7025 1 11 . 1 1 61 61 HIS N N 61 122.391 122.391 119.263 3.128 19954 7026 1 11 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.198 0.435 19954 7027 1 11 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.692 -3.978 19954 7028 1 11 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.016 0.926 19954 7029 1 11 . 1 1 61 61 HIS H H 61 8.123 8.123 8.497 -0.374 19954 7030 1 11 . 1 1 62 62 LYS N N 62 121.665 121.665 119.110 2.555 19954 7031 1 11 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.348 0.347 19954 7032 1 11 . 1 1 62 62 LYS CA C 62 55.760 55.760 58.942 -3.182 19954 7033 1 11 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.568 -1.272 19954 7034 1 11 . 1 1 62 62 LYS H H 62 7.512 7.512 7.080 0.432 19954 7035 1 11 . 1 1 63 63 LEU N N 63 117.792 117.792 120.144 -2.352 19954 7036 1 11 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.780 -0.322 19954 7037 1 11 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.192 -0.567 19954 7038 1 11 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.085 -3.036 19954 7039 1 11 . 1 1 63 63 LEU H H 63 8.136 8.136 7.213 0.922 19954 7040 1 11 . 1 1 64 64 GLY N N 64 105.340 105.340 105.944 -0.604 19954 7041 1 11 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.464 -1.917 19954 7042 1 11 . 1 1 64 64 GLY H H 64 8.616 8.616 8.374 0.242 19954 7043 1 11 . 1 1 65 65 SER N N 65 117.745 117.745 117.856 -0.111 19954 7044 1 11 . 1 1 65 65 SER HA H 65 4.265 4.265 4.152 0.113 19954 7045 1 11 . 1 1 65 65 SER CA C 65 58.998 58.998 61.325 -2.326 19954 7046 1 11 . 1 1 65 65 SER CB C 65 67.350 67.350 62.952 4.398 19954 7047 1 11 . 1 1 65 65 SER H H 65 7.894 7.894 8.046 -0.152 19954 7048 1 11 . 1 1 66 66 LEU N N 66 124.161 124.161 121.168 2.993 19954 7049 1 11 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.045 0.256 19954 7050 1 11 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.286 -4.231 19954 7051 1 11 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.748 -3.641 19954 7052 1 11 . 1 1 66 66 LEU H H 66 7.407 7.407 7.771 -0.364 19954 7053 1 11 . 1 1 67 67 TYR N N 67 121.466 121.466 117.667 3.799 19954 7054 1 11 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.164 0.380 19954 7055 1 11 . 1 1 67 67 TYR CA C 67 53.439 53.439 59.532 -6.093 19954 7056 1 11 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.319 -3.138 19954 7057 1 11 . 1 1 67 67 TYR H H 67 8.001 8.001 7.655 0.346 19954 7058 1 11 . 1 1 68 68 ILE N N 68 121.357 121.357 120.434 0.923 19954 7059 1 11 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.545 -0.310 19954 7060 1 11 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.185 -1.803 19954 7061 1 11 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.845 -1.765 19954 7062 1 11 . 1 1 68 68 ILE H H 68 7.811 7.811 7.875 -0.064 19954 7063 1 11 . 1 1 69 69 ILE N N 69 117.955 117.955 119.386 -1.431 19954 7064 1 11 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.565 -0.216 19954 7065 1 11 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.462 -2.049 19954 7066 1 11 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.435 -1.516 19954 7067 1 11 . 1 1 69 69 ILE H H 69 6.886 6.886 8.591 -1.705 19954 7068 1 11 . 1 1 70 70 ASP N N 70 118.932 118.932 121.442 -2.510 19954 7069 1 11 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.739 -0.343 19954 7070 1 11 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.297 -2.261 19954 7071 1 11 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.940 0.649 19954 7072 1 11 . 1 1 70 70 ASP H H 70 9.100 9.100 8.563 0.537 19954 7073 1 11 . 1 1 71 71 SER N N 71 110.354 110.354 115.593 -5.239 19954 7074 1 11 . 1 1 71 71 SER HA H 71 4.104 4.104 4.215 -0.111 19954 7075 1 11 . 1 1 71 71 SER CA C 71 58.746 58.746 61.985 -3.239 19954 7076 1 11 . 1 1 71 71 SER CB C 71 61.136 61.136 63.213 -2.077 19954 7077 1 11 . 1 1 71 71 SER H H 71 7.938 7.938 7.865 0.073 19954 7078 1 11 . 1 1 72 72 ILE N N 72 117.565 117.565 120.986 -3.421 19954 7079 1 11 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.554 -0.289 19954 7080 1 11 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.104 -1.455 19954 7081 1 11 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.526 -1.762 19954 7082 1 11 . 1 1 72 72 ILE H H 72 7.912 7.912 7.755 0.157 19954 7083 1 11 . 1 1 73 73 GLY N N 73 107.350 107.350 107.718 -0.368 19954 7084 1 11 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.072 -2.325 19954 7085 1 11 . 1 1 73 73 GLY H H 73 8.847 8.847 8.555 0.292 19954 7086 1 11 . 1 1 74 74 ARG N N 74 118.068 118.068 122.216 -4.148 19954 7087 1 11 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.741 0.209 19954 7088 1 11 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.676 -0.504 19954 7089 1 11 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.075 -2.403 19954 7090 1 11 . 1 1 74 74 ARG H H 74 8.705 8.705 8.049 0.656 19954 7091 1 11 . 1 1 75 75 ALA N N 75 123.817 123.817 122.001 1.816 19954 7092 1 11 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.107 0.109 19954 7093 1 11 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.100 -2.238 19954 7094 1 11 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.178 -2.777 19954 7095 1 11 . 1 1 75 75 ALA H H 75 7.673 7.673 7.954 -0.281 19954 7096 1 11 . 1 1 76 76 TYR N N 76 119.918 119.918 119.418 0.500 19954 7097 1 11 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.250 0.287 19954 7098 1 11 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.025 -4.932 19954 7099 1 11 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.514 -3.711 19954 7100 1 11 . 1 1 76 76 TYR H H 76 8.659 8.659 8.543 0.116 19954 7101 1 11 . 1 1 77 77 LEU N N 77 123.387 123.387 120.796 2.591 19954 7102 1 11 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.879 -0.065 19954 7103 1 11 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.698 -3.523 19954 7104 1 11 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.536 -1.662 19954 7105 1 11 . 1 1 77 77 LEU H H 77 8.756 8.756 8.803 -0.047 19954 7106 1 11 . 1 1 78 78 ASP N N 78 120.181 120.181 118.300 1.881 19954 7107 1 11 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.239 0.056 19954 7108 1 11 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.738 -2.935 19954 7109 1 11 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.553 -2.730 19954 7110 1 11 . 1 1 78 78 ASP H H 78 7.891 7.891 8.176 -0.285 19954 7111 1 11 . 1 1 79 79 GLU N N 79 120.503 120.503 118.682 1.821 19954 7112 1 11 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.004 0.014 19954 7113 1 11 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.235 -2.761 19954 7114 1 11 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.364 -2.160 19954 7115 1 11 . 1 1 79 79 GLU H H 79 7.502 7.502 8.364 -0.862 19954 7116 1 11 . 1 1 80 80 THR N N 80 111.013 111.013 115.218 -4.205 19954 7117 1 11 . 1 1 80 80 THR HA H 80 4.151 4.151 3.941 0.210 19954 7118 1 11 . 1 1 80 80 THR CA C 80 61.984 61.984 65.775 -3.791 19954 7119 1 11 . 1 1 80 80 THR CB C 80 67.420 67.420 68.677 -1.257 19954 7120 1 11 . 1 1 80 80 THR H H 80 7.883 7.883 8.066 -0.183 19954 7121 1 11 . 1 1 81 81 ARG N N 81 120.172 120.172 120.414 -0.242 19954 7122 1 11 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.071 0.008 19954 7123 1 11 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.472 -3.335 19954 7124 1 11 . 1 1 81 81 ARG H H 81 7.471 7.471 8.577 -1.106 19954 7125 1 11 . 1 1 82 82 SER N N 82 113.571 113.571 112.936 0.635 19954 7126 1 11 . 1 1 82 82 SER HA H 82 4.329 4.329 4.250 0.079 19954 7127 1 11 . 1 1 82 82 SER CA C 82 56.193 56.193 60.783 -4.590 19954 7128 1 11 . 1 1 82 82 SER CB C 82 72.312 72.312 63.511 8.801 19954 7129 1 11 . 1 1 82 82 SER H H 82 7.744 7.744 8.034 -0.290 19954 7130 1 11 . 1 1 83 83 ASN N N 83 119.990 119.990 117.083 2.907 19954 7131 1 11 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.951 -0.209 19954 7132 1 11 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.401 -3.238 19954 7133 1 11 . 1 1 83 83 ASN H H 83 7.792 7.792 7.862 -0.070 19954 7134 1 11 . 1 1 84 84 SER N N 84 116.799 116.799 113.936 2.863 19954 7135 1 11 . 1 1 84 84 SER HA H 84 4.291 4.291 4.462 -0.171 19954 7136 1 11 . 1 1 84 84 SER CA C 84 56.325 56.325 58.047 -1.722 19954 7137 1 11 . 1 1 84 84 SER H H 84 8.352 8.352 8.222 0.130 19954 7138 1 11 . 1 1 85 85 ASN N N 85 120.087 120.087 122.546 -2.459 19954 7139 1 11 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.689 -0.022 19954 7140 1 11 . 1 1 85 85 ASN CA C 85 50.808 50.808 53.176 -2.368 19954 7141 1 11 . 1 1 85 85 ASN H H 85 8.362 8.362 8.509 -0.147 19954 7142 1 11 . 1 1 86 86 SER N N 86 116.068 116.068 119.399 -3.331 19954 7143 1 11 . 1 1 86 86 SER HA H 86 4.362 4.362 4.285 0.077 19954 7144 1 11 . 1 1 86 86 SER CA C 86 55.853 55.853 58.615 -2.762 19954 7145 1 11 . 1 1 86 86 SER H H 86 8.102 8.102 8.209 -0.107 19954 7146 1 11 . 1 1 87 87 SER N N 87 117.615 117.615 116.454 1.161 19954 7147 1 11 . 1 1 87 87 SER HA H 87 4.302 4.302 4.369 -0.067 19954 7148 1 11 . 1 1 87 87 SER CA C 87 55.608 55.608 59.602 -3.994 19954 7149 1 11 . 1 1 87 87 SER H H 87 8.269 8.269 8.362 -0.093 19954 7150 1 11 . 1 1 88 88 SER N N 88 122.455 122.455 122.301 0.154 19954 7151 1 11 . 1 1 88 88 SER CA C 88 53.710 53.710 58.330 -4.620 19954 7152 1 11 . 1 1 88 88 SER H H 88 8.377 8.377 8.835 -0.458 19954 7153 1 11 . 1 1 89 89 ASN N N 89 115.430 115.430 121.923 -6.493 19954 7154 1 11 . 1 1 89 89 ASN CA C 89 58.900 58.900 52.971 5.929 19954 7155 1 11 . 1 1 89 89 ASN H H 89 8.141 8.141 8.279 -0.138 19954 7156 1 11 . 1 1 90 90 LYS N N 90 128.071 128.071 122.185 5.886 19954 7157 1 11 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.400 -1.019 19954 7158 1 11 . 1 1 90 90 LYS H H 90 7.961 7.961 8.513 -0.552 19954 7159 1 11 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.216 -0.811 19954 7160 1 11 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.632 -2.011 19954 7161 1 11 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.430 -3.737 19954 7162 1 11 . 1 1 92 92 GLY N N 92 112.403 112.403 108.318 4.085 19954 7163 1 11 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.328 -3.022 19954 7164 1 11 . 1 1 92 92 GLY H H 92 10.139 10.139 9.054 1.085 19954 7165 1 11 . 1 1 93 93 THR N N 93 106.254 106.254 111.515 -5.261 19954 7166 1 11 . 1 1 93 93 THR HA H 93 4.527 4.527 5.089 -0.562 19954 7167 1 11 . 1 1 93 93 THR CA C 93 56.663 56.663 60.023 -3.360 19954 7168 1 11 . 1 1 93 93 THR CB C 93 70.927 70.927 70.841 0.086 19954 7169 1 11 . 1 1 93 93 THR H H 93 7.180 7.180 7.344 -0.164 19954 7170 1 11 . 1 1 94 94 CYS N N 94 121.465 121.465 119.595 1.870 19954 7171 1 11 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.832 -0.382 19954 7172 1 11 . 1 1 94 94 CYS CA C 94 60.867 60.867 63.419 -2.552 19954 7173 1 11 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.371 -2.125 19954 7174 1 11 . 1 1 94 94 CYS H H 94 8.777 8.777 8.624 0.152 19954 7175 1 11 . 1 1 95 95 ALA N N 95 119.619 119.619 123.118 -3.499 19954 7176 1 11 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.836 0.006 19954 7177 1 11 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.538 -2.793 19954 7178 1 11 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.782 -2.078 19954 7179 1 11 . 1 1 95 95 ALA H H 95 8.392 8.392 8.213 0.179 19954 7180 1 11 . 1 1 96 96 HIS N N 96 118.081 118.081 119.502 -1.421 19954 7181 1 11 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.208 -0.002 19954 7182 1 11 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.206 -1.515 19954 7183 1 11 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.811 -2.727 19954 7184 1 11 . 1 1 96 96 HIS H H 96 7.631 7.631 8.188 -0.557 19954 7185 1 11 . 1 1 97 97 ALA N N 97 123.652 123.652 123.072 0.580 19954 7186 1 11 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.158 -0.217 19954 7187 1 11 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.412 -2.254 19954 7188 1 11 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.602 -0.938 19954 7189 1 11 . 1 1 97 97 ALA H H 97 7.347 7.347 7.680 -0.333 19954 7190 1 11 . 1 1 98 98 ILE N N 98 115.278 115.278 119.485 -4.207 19954 7191 1 11 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.680 -0.156 19954 7192 1 11 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.043 -3.060 19954 7193 1 11 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.708 -2.041 19954 7194 1 11 . 1 1 98 98 ILE H H 98 7.916 7.916 8.695 -0.779 19954 7195 1 11 . 1 1 99 99 ASN N N 99 120.684 120.684 117.762 2.922 19954 7196 1 11 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.318 0.086 19954 7197 1 11 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.295 -2.156 19954 7198 1 11 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.027 -1.782 19954 7199 1 11 . 1 1 99 99 ASN H H 99 7.978 7.978 8.071 -0.093 19954 7200 1 11 . 1 1 100 100 THR N N 100 117.791 117.791 117.176 0.615 19954 7201 1 11 . 1 1 100 100 THR HA H 100 3.630 3.630 3.726 -0.096 19954 7202 1 11 . 1 1 100 100 THR CA C 100 63.899 63.899 66.727 -2.828 19954 7203 1 11 . 1 1 100 100 THR CB C 100 66.038 66.038 68.703 -2.665 19954 7204 1 11 . 1 1 100 100 THR H H 100 8.295 8.295 7.970 0.325 19954 7205 1 11 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.738 -0.020 19954 7206 1 11 . 1 1 101 101 LEU CA C 101 54.425 54.425 57.969 -3.544 19954 7207 1 11 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.624 -0.436 19954 7208 1 11 . 1 1 101 101 LEU H H 101 7.825 7.825 8.444 -0.619 19954 7209 1 11 . 1 1 102 102 GLY N N 102 105.767 105.767 103.296 2.471 19954 7210 1 11 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.132 -0.791 19954 7211 1 11 . 1 1 102 102 GLY H H 102 8.591 8.591 7.721 0.870 19954 7212 1 11 . 1 1 103 103 GLU N N 103 116.366 116.366 119.460 -3.094 19954 7213 1 11 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.245 -0.178 19954 7214 1 11 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.706 -2.260 19954 7215 1 11 . 1 1 103 103 GLU CB C 103 27.377 27.377 29.856 -2.479 19954 7216 1 11 . 1 1 103 103 GLU H H 103 7.471 7.471 7.687 -0.216 19954 7217 1 11 . 1 1 104 104 VAL N N 104 108.377 108.377 112.811 -4.434 19954 7218 1 11 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.353 0.403 19954 7219 1 11 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.422 -4.567 19954 7220 1 11 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.492 -2.614 19954 7221 1 11 . 1 1 104 104 VAL H H 104 7.016 7.016 7.755 -0.739 19954 7222 1 11 . 1 1 105 105 ILE N N 105 123.784 123.784 122.426 1.358 19954 7223 1 11 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.602 0.152 19954 7224 1 11 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.035 -5.635 19954 7225 1 11 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.902 -2.491 19954 7226 1 11 . 1 1 105 105 ILE H H 105 7.197 7.197 8.481 -1.284 19954 7227 1 11 . 1 1 106 106 GLN N N 106 121.117 121.117 119.152 1.965 19954 7228 1 11 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.809 -0.154 19954 7229 1 11 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.181 -0.848 19954 7230 1 11 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.331 -0.439 19954 7231 1 11 . 1 1 106 106 GLN H H 106 8.549 8.549 8.488 0.061 19954 7232 1 11 . 1 1 107 107 GLU N N 107 122.716 122.716 121.378 1.338 19954 7233 1 11 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.063 -0.226 19954 7234 1 11 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.693 -2.105 19954 7235 1 11 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.939 -2.405 19954 7236 1 11 . 1 1 107 107 GLU H H 107 7.762 7.762 7.987 -0.225 19954 7237 1 11 . 1 1 108 108 LEU N N 108 116.615 116.615 120.901 -4.286 19954 7238 1 11 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.017 -0.038 19954 7239 1 11 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.648 -2.854 19954 7240 1 11 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.605 -3.108 19954 7241 1 11 . 1 1 108 108 LEU H H 108 8.016 8.016 7.499 0.517 19954 7242 1 11 . 1 1 109 109 LEU N N 109 118.708 118.708 119.200 -0.492 19954 7243 1 11 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.768 0.072 19954 7244 1 11 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.653 -2.927 19954 7245 1 11 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.573 -0.251 19954 7246 1 11 . 1 1 109 109 LEU H H 109 8.801 8.801 8.466 0.335 19954 7247 1 11 . 1 1 110 110 SER N N 110 114.083 114.083 115.172 -1.089 19954 7248 1 11 . 1 1 110 110 SER HA H 110 3.848 3.848 3.493 0.355 19954 7249 1 11 . 1 1 110 110 SER CA C 110 60.127 60.127 61.855 -1.728 19954 7250 1 11 . 1 1 110 110 SER CB C 110 60.300 60.300 62.385 -2.085 19954 7251 1 11 . 1 1 110 110 SER H H 110 8.161 8.161 8.064 0.097 19954 7252 1 11 . 1 1 111 111 ASP N N 111 120.151 120.151 121.828 -1.677 19954 7253 1 11 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.306 0.036 19954 7254 1 11 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.503 -2.736 19954 7255 1 11 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.511 -0.767 19954 7256 1 11 . 1 1 111 111 ASP H H 111 7.614 7.614 7.902 -0.288 19954 7257 1 11 . 1 1 112 112 ALA N N 112 116.927 116.927 122.627 -5.700 19954 7258 1 11 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.883 -0.294 19954 7259 1 11 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.373 -2.650 19954 7260 1 11 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.533 -0.886 19954 7261 1 11 . 1 1 112 112 ALA H H 112 7.662 7.662 7.900 -0.238 19954 7262 1 11 . 1 1 113 113 ILE N N 113 119.039 119.039 119.125 -0.086 19954 7263 1 11 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.726 -0.499 19954 7264 1 11 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.628 -0.948 19954 7265 1 11 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.323 -1.164 19954 7266 1 11 . 1 1 113 113 ILE H H 113 8.681 8.681 8.344 0.337 19954 7267 1 11 . 1 1 114 114 ALA N N 114 120.055 120.055 122.297 -2.242 19954 7268 1 11 . 1 1 114 114 ALA HA H 114 3.907 3.907 4.022 -0.115 19954 7269 1 11 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.810 -2.222 19954 7270 1 11 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.235 -2.104 19954 7271 1 11 . 1 1 114 114 ALA H H 114 7.716 7.716 8.216 -0.500 19954 7272 1 11 . 1 1 115 115 LYS N N 115 113.845 113.845 119.219 -5.374 19954 7273 1 11 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.070 0.013 19954 7274 1 11 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.981 -4.026 19954 7275 1 11 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.935 -1.302 19954 7276 1 11 . 1 1 115 115 LYS H H 115 7.248 7.248 8.348 -1.100 19954 7277 1 11 . 1 1 116 116 SER N N 116 115.794 115.794 113.260 2.534 19954 7278 1 11 . 1 1 116 116 SER HA H 116 4.503 4.503 4.220 0.283 19954 7279 1 11 . 1 1 116 116 SER CA C 116 57.848 57.848 59.620 -1.772 19954 7280 1 11 . 1 1 116 116 SER CB C 116 63.380 63.380 63.850 -0.470 19954 7281 1 11 . 1 1 116 116 SER H H 116 7.124 7.124 8.102 -0.978 19954 7282 1 11 . 1 1 117 117 ASN N N 117 119.747 119.747 120.781 -1.034 19954 7283 1 11 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.809 -0.287 19954 7284 1 11 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.560 -2.218 19954 7285 1 11 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.903 -4.621 19954 7286 1 11 . 1 1 117 117 ASN H H 117 8.457 8.457 8.413 0.044 19954 7287 1 11 . 1 1 118 118 GLN N N 118 117.591 117.591 120.148 -2.557 19954 7288 1 11 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.813 -0.036 19954 7289 1 11 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.262 -3.078 19954 7290 1 11 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.248 3.293 19954 7291 1 11 . 1 1 118 118 GLN H H 118 8.418 8.418 8.737 -0.319 19954 7292 1 11 . 1 1 119 119 ASP N N 119 119.281 119.281 117.719 1.562 19954 7293 1 11 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.454 -0.164 19954 7294 1 11 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.471 -2.878 19954 7295 1 11 . 1 1 119 119 ASP CB C 119 38.903 38.903 39.928 -1.024 19954 7296 1 11 . 1 1 119 119 ASP H H 119 7.973 7.973 8.655 -0.682 19954 7297 1 11 . 1 1 120 120 HIS N N 120 118.871 118.871 118.087 0.784 19954 7298 1 11 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.047 0.293 19954 7299 1 11 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.754 -2.996 19954 7300 1 11 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.613 -1.885 19954 7301 1 11 . 1 1 120 120 HIS H H 120 8.702 8.702 8.403 0.299 19954 7302 1 11 . 1 1 121 121 LYS N N 121 120.739 120.739 118.862 1.877 19954 7303 1 11 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.983 -0.215 19954 7304 1 11 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.358 0.327 19954 7305 1 11 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.691 -0.767 19954 7306 1 11 . 1 1 121 121 LYS H H 121 8.990 8.990 8.901 0.089 19954 7307 1 11 . 1 1 122 122 GLU N N 122 117.889 117.889 119.637 -1.748 19954 7308 1 11 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.053 0.009 19954 7309 1 11 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.483 -3.378 19954 7310 1 11 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.171 -2.480 19954 7311 1 11 . 1 1 122 122 GLU H H 122 7.615 7.615 8.144 -0.529 19954 7312 1 11 . 1 1 123 123 LYS N N 123 119.139 119.139 119.115 0.024 19954 7313 1 11 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.138 -0.179 19954 7314 1 11 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.730 -2.128 19954 7315 1 11 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.960 -1.737 19954 7316 1 11 . 1 1 123 123 LYS H H 123 7.550 7.550 7.776 -0.226 19954 7317 1 11 . 1 1 124 124 ILE N N 124 123.103 123.103 119.535 3.568 19954 7318 1 11 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.577 -0.351 19954 7319 1 11 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.559 -1.875 19954 7320 1 11 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.534 -2.791 19954 7321 1 11 . 1 1 124 124 ILE H H 124 8.356 8.356 7.777 0.579 19954 7322 1 11 . 1 1 125 125 ARG N N 125 122.162 122.162 120.504 1.658 19954 7323 1 11 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.948 -0.842 19954 7324 1 11 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.406 -1.382 19954 7325 1 11 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.154 1.817 19954 7326 1 11 . 1 1 125 125 ARG H H 125 7.988 7.988 7.948 0.040 19954 7327 1 11 . 1 1 126 126 MET N N 126 115.215 115.215 117.287 -2.072 19954 7328 1 11 . 1 1 126 126 MET HA H 126 3.973 3.973 4.051 -0.078 19954 7329 1 11 . 1 1 126 126 MET CA C 126 55.896 55.896 58.658 -2.762 19954 7330 1 11 . 1 1 126 126 MET CB C 126 29.856 29.856 32.111 -2.255 19954 7331 1 11 . 1 1 126 126 MET H H 126 7.455 7.455 7.913 -0.458 19954 7332 1 11 . 1 1 127 127 LEU N N 127 122.351 122.351 121.030 1.321 19954 7333 1 11 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.717 -0.165 19954 7334 1 11 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.601 -2.813 19954 7335 1 11 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.154 -1.876 19954 7336 1 11 . 1 1 127 127 LEU H H 127 7.479 7.479 7.790 -0.311 19954 7337 1 11 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.745 0.138 19954 7338 1 11 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.772 -3.425 19954 7339 1 11 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.488 -2.679 19954 7340 1 11 . 1 1 128 128 LEU H H 128 7.841 7.841 7.780 0.061 19954 7341 1 11 . 1 1 129 129 ASP N N 129 116.915 116.915 119.359 -2.444 19954 7342 1 11 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.300 0.087 19954 7343 1 11 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.774 -5.175 19954 7344 1 11 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.923 -3.057 19954 7345 1 11 . 1 1 129 129 ASP H H 129 7.034 7.034 7.627 -0.593 19954 7346 1 11 . 1 1 130 130 ILE N N 130 124.155 124.155 120.031 4.124 19954 7347 1 11 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.614 0.029 19954 7348 1 11 . 1 1 130 130 ILE CA C 130 63.376 63.376 64.903 -1.527 19954 7349 1 11 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.626 -2.842 19954 7350 1 11 . 1 1 130 130 ILE H H 130 7.671 7.671 7.653 0.018 19954 7351 1 11 . 1 1 131 131 TRP N N 131 125.421 125.421 120.231 5.190 19954 7352 1 11 . 1 1 131 131 TRP H H 131 8.831 8.831 7.805 1.026 19954 7353 1 11 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.253 3.186 19954 7354 1 11 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.335 0.148 19954 7355 1 11 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.705 -4.968 19954 7356 1 11 . 1 1 144 144 ALA N N 144 121.013 121.013 122.635 -1.622 19954 7357 1 11 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.115 -0.011 19954 7358 1 11 . 1 1 144 144 ALA CA C 144 52.678 52.678 55.178 -2.500 19954 7359 1 11 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.605 -3.229 19954 7360 1 11 . 1 1 144 144 ALA H H 144 8.212 8.212 8.269 -0.057 19954 7361 1 11 . 1 1 145 145 ILE N N 145 117.646 117.646 116.058 1.588 19954 7362 1 11 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.748 0.080 19954 7363 1 11 . 1 1 145 145 ILE CA C 145 58.344 58.344 63.229 -4.885 19954 7364 1 11 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.599 0.543 19954 7365 1 11 . 1 1 145 145 ILE H H 145 7.183 7.183 7.836 -0.653 19954 7366 1 11 . 1 1 146 146 ARG N N 146 121.150 121.150 121.023 0.127 19954 7367 1 11 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.993 -0.091 19954 7368 1 11 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.746 -0.281 19954 7369 1 11 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.035 -2.252 19954 7370 1 11 . 1 1 146 146 ARG H H 146 8.477 8.477 8.491 -0.014 19954 7371 1 11 . 1 1 147 147 SER N N 147 111.836 111.836 115.853 -4.017 19954 7372 1 11 . 1 1 147 147 SER HA H 147 4.162 4.162 4.392 -0.230 19954 7373 1 11 . 1 1 147 147 SER CA C 147 58.642 58.642 59.149 -0.507 19954 7374 1 11 . 1 1 147 147 SER CB C 147 60.972 60.972 63.088 -2.116 19954 7375 1 11 . 1 1 147 147 SER H H 147 8.187 8.187 7.962 0.225 19954 7376 1 11 . 1 1 148 148 LYS N N 148 118.675 118.675 128.193 -9.518 19954 7377 1 11 . 1 1 148 148 LYS HA H 148 4.138 4.138 4.007 0.131 19954 7378 1 11 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.462 -3.445 19954 7379 1 11 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.811 -0.030 19954 7380 1 11 . 1 1 148 148 LYS H H 148 7.837 7.837 8.609 -0.772 19954 7381 1 11 . 1 1 149 149 CYS N N 149 113.256 113.256 118.891 -5.635 19954 7382 1 11 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.070 0.522 19954 7383 1 11 . 1 1 149 149 CYS CA C 149 52.012 52.012 61.593 -9.581 19954 7384 1 11 . 1 1 149 149 CYS H H 149 8.267 8.267 7.897 0.370 19954 7385 1 11 . 1 1 150 150 PHE N N 150 116.623 116.623 120.397 -3.774 19954 7386 1 11 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.041 0.903 19954 7387 1 11 . 1 1 150 150 PHE CA C 150 54.409 54.409 62.289 -7.880 19954 7388 1 11 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.828 -0.775 19954 7389 1 11 . 1 1 150 150 PHE H H 150 7.373 7.373 8.479 -1.106 19954 7390 1 11 . 1 1 151 151 ALA N N 151 122.583 122.583 120.992 1.591 19954 7391 1 11 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.876 0.303 19954 7392 1 11 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.346 -4.705 19954 7393 1 11 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.446 -2.507 19954 7394 1 11 . 1 1 151 151 ALA H H 151 7.710 7.710 8.629 -0.919 19954 7395 1 11 . 1 1 152 152 MET N N 152 118.250 118.250 116.783 1.467 19954 7396 1 11 . 1 1 152 152 MET HA H 152 4.262 4.262 4.070 0.192 19954 7397 1 11 . 1 1 152 152 MET CA C 152 53.482 53.482 58.023 -4.541 19954 7398 1 11 . 1 1 152 152 MET CB C 152 30.488 30.488 31.183 -0.695 19954 7399 1 11 . 1 1 152 152 MET H H 152 8.086 8.086 8.265 -0.179 19954 7400 1 11 . 1 1 153 153 ASP N N 153 121.780 121.780 119.833 1.947 19954 7401 1 11 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.428 0.050 19954 7402 1 11 . 1 1 153 153 ASP CA C 153 51.626 51.626 57.103 -5.477 19954 7403 1 11 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.175 -2.715 19954 7404 1 11 . 1 1 153 153 ASP H H 153 8.299 8.299 7.966 0.333 19954 7405 1 11 . 1 1 154 154 LEU N N 154 122.337 122.337 118.371 3.966 19954 7406 1 11 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.010 0.098 19954 7407 1 11 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.998 -5.145 19954 7408 1 11 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.250 -1.534 19954 7409 1 11 . 1 1 154 154 LEU H H 154 8.072 8.072 7.952 0.120 19954 7410 1 11 . 1 1 155 155 GLU N N 155 119.995 119.995 116.309 3.686 19954 7411 1 11 . 1 1 155 155 GLU HA H 155 3.995 3.995 3.784 0.211 19954 7412 1 11 . 1 1 155 155 GLU CA C 155 54.299 54.299 58.819 -4.520 19954 7413 1 11 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.466 -1.832 19954 7414 1 11 . 1 1 155 155 GLU H H 155 8.151 8.151 8.030 0.121 19954 7415 1 11 . 1 1 156 156 HIS N N 156 118.980 118.980 118.757 0.223 19954 7416 1 11 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.152 0.068 19954 7417 1 11 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.748 -3.305 19954 7418 1 11 . 1 1 156 156 HIS H H 156 8.007 8.007 7.842 0.165 19954 7419 1 11 . 1 1 157 157 HIS N N 157 121.956 121.956 120.664 1.292 19954 7420 1 11 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.546 -0.135 19954 7421 1 11 . 1 1 157 157 HIS CA C 157 53.252 53.252 54.613 -1.361 19954 7422 1 11 . 1 1 157 157 HIS H H 157 8.580 8.580 8.038 0.542 19954 7423 1 11 . 1 1 158 158 HIS N N 158 125.474 125.474 118.257 7.217 19954 7424 1 11 . 1 1 158 158 HIS CA C 158 54.628 54.628 56.512 -1.884 19954 7425 1 11 . 1 1 158 158 HIS H H 158 7.906 7.906 8.694 -0.788 19954 7426 1 12 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.540 -0.225 19954 7427 1 12 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.102 -3.388 19954 7428 1 12 . 1 1 5 5 ASP N N 5 120.880 120.880 119.876 1.004 19954 7429 1 12 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.918 -0.464 19954 7430 1 12 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.584 -1.009 19954 7431 1 12 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.923 -3.199 19954 7432 1 12 . 1 1 5 5 ASP H H 5 8.277 8.277 7.592 0.685 19954 7433 1 12 . 1 1 6 6 ASP N N 6 120.876 120.876 120.905 -0.029 19954 7434 1 12 . 1 1 6 6 ASP HA H 6 4.482 4.482 5.095 -0.613 19954 7435 1 12 . 1 1 6 6 ASP CA C 6 52.962 52.962 52.605 0.357 19954 7436 1 12 . 1 1 6 6 ASP CB C 6 38.558 38.558 43.305 -4.747 19954 7437 1 12 . 1 1 6 6 ASP H H 6 8.497 8.497 8.095 0.402 19954 7438 1 12 . 1 1 7 7 PHE N N 7 122.789 122.789 120.748 2.041 19954 7439 1 12 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.273 -0.164 19954 7440 1 12 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.789 -1.919 19954 7441 1 12 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.523 -2.856 19954 7442 1 12 . 1 1 7 7 PHE H H 7 8.337 8.337 8.796 -0.459 19954 7443 1 12 . 1 1 8 8 GLN N N 8 116.255 116.255 119.294 -3.039 19954 7444 1 12 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.801 -0.052 19954 7445 1 12 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.558 -3.832 19954 7446 1 12 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.026 -3.237 19954 7447 1 12 . 1 1 8 8 GLN H H 8 8.488 8.488 8.683 -0.195 19954 7448 1 12 . 1 1 9 9 ASN N N 9 118.242 118.242 118.174 0.068 19954 7449 1 12 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.296 0.018 19954 7450 1 12 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.098 -2.523 19954 7451 1 12 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.347 -2.094 19954 7452 1 12 . 1 1 9 9 ASN H H 9 7.801 7.801 7.775 0.026 19954 7453 1 12 . 1 1 10 10 PHE N N 10 124.982 124.982 121.188 3.794 19954 7454 1 12 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.707 -0.253 19954 7455 1 12 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.074 -2.079 19954 7456 1 12 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.240 -3.205 19954 7457 1 12 . 1 1 10 10 PHE H H 10 6.924 6.924 6.925 -0.001 19954 7458 1 12 . 1 1 11 11 VAL N N 11 118.513 118.513 118.485 0.028 19954 7459 1 12 . 1 1 11 11 VAL HA H 11 2.834 2.834 2.965 -0.131 19954 7460 1 12 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.476 -2.245 19954 7461 1 12 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.224 -1.146 19954 7462 1 12 . 1 1 11 11 VAL H H 11 7.448 7.448 7.895 -0.447 19954 7463 1 12 . 1 1 12 12 ALA N N 12 119.214 119.214 120.953 -1.739 19954 7464 1 12 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.787 0.097 19954 7465 1 12 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.594 -3.168 19954 7466 1 12 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.931 -2.282 19954 7467 1 12 . 1 1 12 12 ALA H H 12 8.028 8.028 8.332 -0.304 19954 7468 1 12 . 1 1 13 13 THR N N 13 116.435 116.435 116.492 -0.057 19954 7469 1 12 . 1 1 13 13 THR HA H 13 3.624 3.624 3.776 -0.152 19954 7470 1 12 . 1 1 13 13 THR CA C 13 64.041 64.041 67.416 -3.375 19954 7471 1 12 . 1 1 13 13 THR CB C 13 65.118 65.118 68.509 -3.391 19954 7472 1 12 . 1 1 13 13 THR H H 13 7.638 7.638 7.699 -0.061 19954 7473 1 12 . 1 1 14 14 LEU N N 14 126.284 126.284 121.958 4.326 19954 7474 1 12 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.399 0.231 19954 7475 1 12 . 1 1 14 14 LEU CA C 14 55.487 55.487 58.078 -2.591 19954 7476 1 12 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.084 -2.232 19954 7477 1 12 . 1 1 14 14 LEU H H 14 7.975 7.975 7.354 0.621 19954 7478 1 12 . 1 1 15 15 GLU N N 15 116.145 116.145 118.530 -2.385 19954 7479 1 12 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.837 -0.020 19954 7480 1 12 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.777 -3.383 19954 7481 1 12 . 1 1 15 15 GLU CB C 15 26.908 26.908 28.993 -2.085 19954 7482 1 12 . 1 1 15 15 GLU H H 15 8.503 8.503 8.427 0.076 19954 7483 1 12 . 1 1 16 16 SER N N 16 114.452 114.452 114.460 -0.008 19954 7484 1 12 . 1 1 16 16 SER HA H 16 4.196 4.196 4.170 0.026 19954 7485 1 12 . 1 1 16 16 SER CA C 16 58.515 58.515 61.041 -2.526 19954 7486 1 12 . 1 1 16 16 SER CB C 16 60.155 60.155 63.070 -2.915 19954 7487 1 12 . 1 1 16 16 SER H H 16 7.643 7.643 8.042 -0.399 19954 7488 1 12 . 1 1 17 17 PHE N N 17 124.020 124.020 121.803 2.217 19954 7489 1 12 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.140 -0.316 19954 7490 1 12 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.013 -1.678 19954 7491 1 12 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.990 -2.136 19954 7492 1 12 . 1 1 17 17 PHE H H 17 8.082 8.082 7.970 0.112 19954 7493 1 12 . 1 1 18 18 LYS N N 18 116.570 116.570 118.636 -2.066 19954 7494 1 12 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.042 -0.095 19954 7495 1 12 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.004 -2.149 19954 7496 1 12 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.816 -2.364 19954 7497 1 12 . 1 1 18 18 LYS H H 18 7.849 7.849 7.888 -0.039 19954 7498 1 12 . 1 1 19 19 ASP N N 19 116.332 116.332 119.500 -3.168 19954 7499 1 12 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.441 0.098 19954 7500 1 12 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.998 -3.841 19954 7501 1 12 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.463 -2.760 19954 7502 1 12 . 1 1 19 19 ASP H H 19 7.276 7.276 7.696 -0.420 19954 7503 1 12 . 1 1 20 20 LEU N N 20 119.769 119.769 119.438 0.331 19954 7504 1 12 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.305 0.094 19954 7505 1 12 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.559 -3.560 19954 7506 1 12 . 1 1 20 20 LEU H H 20 7.226 7.226 7.418 -0.192 19954 7507 1 12 . 1 1 21 21 LYS N N 21 126.041 126.041 120.638 5.403 19954 7508 1 12 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.456 -0.393 19954 7509 1 12 . 1 1 21 21 LYS CA C 21 56.849 56.849 55.273 1.576 19954 7510 1 12 . 1 1 21 21 LYS CB C 21 31.634 31.634 30.379 1.255 19954 7511 1 12 . 1 1 21 21 LYS H H 21 9.203 9.203 8.446 0.757 19954 7512 1 12 . 1 1 22 22 SER N N 22 109.885 109.885 113.765 -3.880 19954 7513 1 12 . 1 1 22 22 SER HA H 22 4.322 4.322 4.007 0.315 19954 7514 1 12 . 1 1 22 22 SER CA C 22 55.254 55.254 59.181 -3.927 19954 7515 1 12 . 1 1 22 22 SER CB C 22 62.254 62.254 61.190 1.064 19954 7516 1 12 . 1 1 22 22 SER H H 22 8.607 8.607 8.072 0.535 19954 7517 1 12 . 1 1 23 23 GLY N N 23 106.286 106.286 108.991 -2.705 19954 7518 1 12 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.813 -0.833 19954 7519 1 12 . 1 1 23 23 GLY H H 23 6.619 6.619 8.322 -1.703 19954 7520 1 12 . 1 1 24 24 ILE N N 24 118.883 118.883 118.703 0.180 19954 7521 1 12 . 1 1 24 24 ILE HA H 24 3.984 3.984 3.092 0.892 19954 7522 1 12 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.844 -1.677 19954 7523 1 12 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.337 2.309 19954 7524 1 12 . 1 1 24 24 ILE H H 24 7.929 7.929 7.868 0.061 19954 7525 1 12 . 1 1 25 25 SER N N 25 117.952 117.952 118.344 -0.392 19954 7526 1 12 . 1 1 25 25 SER HA H 25 5.093 5.093 4.643 0.450 19954 7527 1 12 . 1 1 25 25 SER CA C 25 52.534 52.534 57.882 -5.348 19954 7528 1 12 . 1 1 25 25 SER CB C 25 61.938 61.938 64.066 -2.127 19954 7529 1 12 . 1 1 25 25 SER H H 25 5.660 5.660 8.153 -2.493 19954 7530 1 12 . 1 1 26 26 GLY N N 26 120.266 120.266 113.829 6.437 19954 7531 1 12 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.669 -2.182 19954 7532 1 12 . 1 1 26 26 GLY H H 26 8.596 8.596 9.132 -0.536 19954 7533 1 12 . 1 1 27 27 SER N N 27 120.500 120.500 117.270 3.230 19954 7534 1 12 . 1 1 27 27 SER HA H 27 4.410 4.410 4.095 0.315 19954 7535 1 12 . 1 1 27 27 SER CA C 27 58.793 58.793 61.475 -2.682 19954 7536 1 12 . 1 1 27 27 SER CB C 27 62.224 62.224 62.950 -0.726 19954 7537 1 12 . 1 1 27 27 SER H H 27 9.846 9.846 8.223 1.623 19954 7538 1 12 . 1 1 28 28 ARG N N 28 123.779 123.779 122.193 1.586 19954 7539 1 12 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.966 -0.081 19954 7540 1 12 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.521 -2.681 19954 7541 1 12 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.880 -1.766 19954 7542 1 12 . 1 1 28 28 ARG H H 28 8.034 8.034 7.527 0.507 19954 7543 1 12 . 1 1 29 29 ILE N N 29 120.700 120.700 119.814 0.886 19954 7544 1 12 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.278 0.194 19954 7545 1 12 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.020 -0.391 19954 7546 1 12 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.331 -1.663 19954 7547 1 12 . 1 1 29 29 ILE H H 29 8.374 8.374 7.449 0.925 19954 7548 1 12 . 1 1 30 30 LYS N N 30 124.209 124.209 120.209 4.000 19954 7549 1 12 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.912 0.116 19954 7550 1 12 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.102 -2.701 19954 7551 1 12 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.275 -2.995 19954 7552 1 12 . 1 1 30 30 LYS H H 30 8.231 8.231 8.102 0.129 19954 7553 1 12 . 1 1 31 31 LYS N N 31 120.422 120.422 119.610 0.812 19954 7554 1 12 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.039 -0.001 19954 7555 1 12 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.502 -1.884 19954 7556 1 12 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.124 -1.955 19954 7557 1 12 . 1 1 31 31 LYS H H 31 7.449 7.449 7.982 -0.533 19954 7558 1 12 . 1 1 32 32 LEU N N 32 118.348 118.348 119.319 -0.971 19954 7559 1 12 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.118 -0.057 19954 7560 1 12 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.720 -3.310 19954 7561 1 12 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.277 -1.495 19954 7562 1 12 . 1 1 32 32 LEU H H 32 8.186 8.186 7.891 0.295 19954 7563 1 12 . 1 1 33 33 THR N N 33 116.500 116.500 115.302 1.198 19954 7564 1 12 . 1 1 33 33 THR HA H 33 3.662 3.662 3.970 -0.308 19954 7565 1 12 . 1 1 33 33 THR CA C 33 64.726 64.726 67.483 -2.757 19954 7566 1 12 . 1 1 33 33 THR CB C 33 66.097 66.097 68.070 -1.973 19954 7567 1 12 . 1 1 33 33 THR H H 33 8.066 8.066 8.344 -0.278 19954 7568 1 12 . 1 1 34 34 THR N N 34 119.029 119.029 118.117 0.912 19954 7569 1 12 . 1 1 34 34 THR HA H 34 3.759 3.759 3.881 -0.122 19954 7570 1 12 . 1 1 34 34 THR CA C 34 64.291 64.291 66.510 -2.219 19954 7571 1 12 . 1 1 34 34 THR CB C 34 66.733 66.733 69.017 -2.284 19954 7572 1 12 . 1 1 34 34 THR H H 34 8.685 8.685 7.970 0.716 19954 7573 1 12 . 1 1 35 35 TYR N N 35 120.298 120.298 122.290 -1.992 19954 7574 1 12 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.114 0.088 19954 7575 1 12 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.581 -1.427 19954 7576 1 12 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.273 -2.263 19954 7577 1 12 . 1 1 35 35 TYR H H 35 7.663 7.663 8.240 -0.577 19954 7578 1 12 . 1 1 36 36 ALA N N 36 121.480 121.480 122.102 -0.622 19954 7579 1 12 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.936 -0.024 19954 7580 1 12 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.074 -1.938 19954 7581 1 12 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.367 -3.494 19954 7582 1 12 . 1 1 36 36 ALA H H 36 8.543 8.543 8.518 0.025 19954 7583 1 12 . 1 1 37 37 LEU N N 37 120.767 120.767 119.038 1.729 19954 7584 1 12 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.912 0.191 19954 7585 1 12 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.476 -3.636 19954 7586 1 12 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.924 -1.742 19954 7587 1 12 . 1 1 37 37 LEU H H 37 8.351 8.351 8.127 0.224 19954 7588 1 12 . 1 1 38 38 ASP N N 38 119.008 119.008 117.831 1.177 19954 7589 1 12 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.336 0.120 19954 7590 1 12 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.335 -4.195 19954 7591 1 12 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.225 -2.326 19954 7592 1 12 . 1 1 38 38 ASP H H 38 7.557 7.557 8.036 -0.479 19954 7593 1 12 . 1 1 39 39 HIS N N 39 118.142 118.142 117.656 0.486 19954 7594 1 12 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.632 -0.007 19954 7595 1 12 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.546 -2.400 19954 7596 1 12 . 1 1 39 39 HIS CB C 39 25.506 25.506 30.214 -4.708 19954 7597 1 12 . 1 1 39 39 HIS H H 39 7.094 7.094 7.693 -0.599 19954 7598 1 12 . 1 1 40 40 ILE N N 40 121.885 121.885 125.134 -3.249 19954 7599 1 12 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.955 -0.529 19954 7600 1 12 . 1 1 40 40 ILE CA C 40 62.593 62.593 60.920 1.673 19954 7601 1 12 . 1 1 40 40 ILE CB C 40 36.173 36.173 36.935 -0.762 19954 7602 1 12 . 1 1 40 40 ILE H H 40 7.630 7.630 8.442 -0.812 19954 7603 1 12 . 1 1 41 41 ASP N N 41 114.814 114.814 118.888 -4.074 19954 7604 1 12 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.628 -0.442 19954 7605 1 12 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.024 -0.008 19954 7606 1 12 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.856 -4.020 19954 7607 1 12 . 1 1 41 41 ASP H H 41 8.433 8.433 8.637 -0.204 19954 7608 1 12 . 1 1 42 42 ILE N N 42 113.793 113.793 112.371 1.422 19954 7609 1 12 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.487 0.225 19954 7610 1 12 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.051 -1.810 19954 7611 1 12 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.128 -3.232 19954 7612 1 12 . 1 1 42 42 ILE H H 42 7.447 7.447 7.120 0.327 19954 7613 1 12 . 1 1 43 43 GLU N N 43 120.845 120.845 122.520 -1.675 19954 7614 1 12 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.050 -0.004 19954 7615 1 12 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.719 -2.951 19954 7616 1 12 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.768 -4.752 19954 7617 1 12 . 1 1 43 43 GLU H H 43 8.195 8.195 8.175 0.020 19954 7618 1 12 . 1 1 44 44 SER N N 44 113.781 113.781 115.978 -2.197 19954 7619 1 12 . 1 1 44 44 SER HA H 44 3.944 3.944 4.073 -0.129 19954 7620 1 12 . 1 1 44 44 SER CA C 44 59.590 59.590 61.865 -2.276 19954 7621 1 12 . 1 1 44 44 SER CB C 44 59.878 59.878 62.837 -2.959 19954 7622 1 12 . 1 1 44 44 SER H H 44 8.728 8.728 8.394 0.334 19954 7623 1 12 . 1 1 45 45 LYS N N 45 121.258 121.258 119.963 1.295 19954 7624 1 12 . 1 1 45 45 LYS HA H 45 4.079 4.079 3.988 0.091 19954 7625 1 12 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.931 -2.741 19954 7626 1 12 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.453 -0.976 19954 7627 1 12 . 1 1 45 45 LYS H H 45 7.329 7.329 8.357 -1.028 19954 7628 1 12 . 1 1 46 46 ILE N N 46 121.022 121.022 121.503 -0.481 19954 7629 1 12 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.729 -0.366 19954 7630 1 12 . 1 1 46 46 ILE CA C 46 63.257 63.257 64.978 -1.721 19954 7631 1 12 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.607 -0.715 19954 7632 1 12 . 1 1 46 46 ILE H H 46 7.360 7.360 7.803 -0.443 19954 7633 1 12 . 1 1 47 47 ILE N N 47 118.543 118.543 119.212 -0.669 19954 7634 1 12 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.549 0.190 19954 7635 1 12 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.078 -5.421 19954 7636 1 12 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.350 -4.222 19954 7637 1 12 . 1 1 47 47 ILE H H 47 9.378 9.378 8.076 1.302 19954 7638 1 12 . 1 1 48 48 SER N N 48 113.001 113.001 115.564 -2.563 19954 7639 1 12 . 1 1 48 48 SER HA H 48 4.016 4.016 4.091 -0.075 19954 7640 1 12 . 1 1 48 48 SER CA C 48 59.574 59.574 61.950 -2.377 19954 7641 1 12 . 1 1 48 48 SER CB C 48 60.341 60.341 63.250 -2.909 19954 7642 1 12 . 1 1 48 48 SER H H 48 7.382 7.382 8.536 -1.154 19954 7643 1 12 . 1 1 49 49 LEU N N 49 120.059 120.059 123.301 -3.242 19954 7644 1 12 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.154 0.016 19954 7645 1 12 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.379 -2.713 19954 7646 1 12 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.055 -2.305 19954 7647 1 12 . 1 1 49 49 LEU H H 49 7.477 7.477 8.222 -0.745 19954 7648 1 12 . 1 1 50 50 ILE N N 50 115.429 115.429 117.454 -2.025 19954 7649 1 12 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.541 0.552 19954 7650 1 12 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.043 -2.239 19954 7651 1 12 . 1 1 50 50 ILE H H 50 8.081 8.081 7.849 0.232 19954 7652 1 12 . 1 1 51 51 ILE N N 51 125.106 125.106 122.423 2.683 19954 7653 1 12 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.579 -0.124 19954 7654 1 12 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.139 -1.991 19954 7655 1 12 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.743 -2.024 19954 7656 1 12 . 1 1 51 51 ILE H H 51 8.194 8.194 8.181 0.013 19954 7657 1 12 . 1 1 52 52 ASP N N 52 119.519 119.519 119.193 0.326 19954 7658 1 12 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.273 -0.029 19954 7659 1 12 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.548 -3.564 19954 7660 1 12 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.034 -3.169 19954 7661 1 12 . 1 1 52 52 ASP H H 52 7.850 7.850 8.221 -0.371 19954 7662 1 12 . 1 1 53 53 TYR N N 53 118.402 118.402 120.473 -2.071 19954 7663 1 12 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.021 -0.129 19954 7664 1 12 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.378 -1.633 19954 7665 1 12 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.546 -2.682 19954 7666 1 12 . 1 1 53 53 TYR H H 53 8.260 8.260 8.721 -0.461 19954 7667 1 12 . 1 1 54 54 SER N N 54 111.626 111.626 116.498 -4.872 19954 7668 1 12 . 1 1 54 54 SER HA H 54 4.058 4.058 4.045 0.014 19954 7669 1 12 . 1 1 54 54 SER CA C 54 58.733 58.733 61.188 -2.455 19954 7670 1 12 . 1 1 54 54 SER CB C 54 62.430 62.430 63.752 -1.322 19954 7671 1 12 . 1 1 54 54 SER H H 54 7.316 7.316 8.200 -0.884 19954 7672 1 12 . 1 1 55 55 ARG N N 55 114.937 114.937 119.918 -4.981 19954 7673 1 12 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.535 0.637 19954 7674 1 12 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.705 -1.432 19954 7675 1 12 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.430 -1.180 19954 7676 1 12 . 1 1 55 55 ARG H H 55 7.901 7.901 7.474 0.427 19954 7677 1 12 . 1 1 56 56 LEU N N 56 116.307 116.307 118.858 -2.551 19954 7678 1 12 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.978 0.225 19954 7679 1 12 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.690 -3.890 19954 7680 1 12 . 1 1 56 56 LEU CB C 56 40.868 40.868 41.945 -1.077 19954 7681 1 12 . 1 1 56 56 LEU H H 56 7.802 7.802 7.732 0.070 19954 7682 1 12 . 1 1 57 57 CYS N N 57 119.062 119.062 116.764 2.298 19954 7683 1 12 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.210 0.030 19954 7684 1 12 . 1 1 57 57 CYS CA C 57 53.750 53.750 58.168 -4.418 19954 7685 1 12 . 1 1 57 57 CYS CB C 57 22.076 22.076 25.702 -3.626 19954 7686 1 12 . 1 1 57 57 CYS H H 57 7.717 7.717 7.536 0.181 19954 7687 1 12 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.504 -0.159 19954 7688 1 12 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.899 -2.417 19954 7689 1 12 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.312 -2.152 19954 7690 1 12 . 1 1 59 59 ASP N N 59 123.671 123.671 118.486 5.185 19954 7691 1 12 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.161 -0.244 19954 7692 1 12 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.781 -2.967 19954 7693 1 12 . 1 1 59 59 ASP CB C 59 36.924 36.924 40.153 -3.229 19954 7694 1 12 . 1 1 59 59 ASP H H 59 8.696 8.696 8.855 -0.159 19954 7695 1 12 . 1 1 60 60 SER N N 60 110.600 110.600 114.517 -3.917 19954 7696 1 12 . 1 1 60 60 SER HA H 60 4.103 4.103 3.907 0.196 19954 7697 1 12 . 1 1 60 60 SER CA C 60 57.379 57.379 61.312 -3.933 19954 7698 1 12 . 1 1 60 60 SER CB C 60 61.562 61.562 63.094 -1.532 19954 7699 1 12 . 1 1 60 60 SER H H 60 8.119 8.119 8.102 0.017 19954 7700 1 12 . 1 1 61 61 HIS N N 61 122.391 122.391 119.344 3.047 19954 7701 1 12 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.239 0.394 19954 7702 1 12 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.978 -4.264 19954 7703 1 12 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.148 0.794 19954 7704 1 12 . 1 1 61 61 HIS H H 61 8.123 8.123 8.579 -0.456 19954 7705 1 12 . 1 1 62 62 LYS N N 62 121.665 121.665 119.580 2.085 19954 7706 1 12 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.312 0.383 19954 7707 1 12 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.081 -3.321 19954 7708 1 12 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.668 -1.372 19954 7709 1 12 . 1 1 62 62 LYS H H 62 7.512 7.512 7.014 0.498 19954 7710 1 12 . 1 1 63 63 LEU N N 63 117.792 117.792 119.877 -2.085 19954 7711 1 12 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.762 -0.304 19954 7712 1 12 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.380 -0.756 19954 7713 1 12 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.033 -2.984 19954 7714 1 12 . 1 1 63 63 LEU H H 63 8.136 8.136 7.153 0.983 19954 7715 1 12 . 1 1 64 64 GLY N N 64 105.340 105.340 105.901 -0.561 19954 7716 1 12 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.679 -2.132 19954 7717 1 12 . 1 1 64 64 GLY H H 64 8.616 8.616 8.188 0.428 19954 7718 1 12 . 1 1 65 65 SER N N 65 117.745 117.745 118.166 -0.421 19954 7719 1 12 . 1 1 65 65 SER HA H 65 4.265 4.265 4.323 -0.058 19954 7720 1 12 . 1 1 65 65 SER CA C 65 58.998 58.998 61.449 -2.451 19954 7721 1 12 . 1 1 65 65 SER CB C 65 67.350 67.350 63.080 4.270 19954 7722 1 12 . 1 1 65 65 SER H H 65 7.894 7.894 8.209 -0.315 19954 7723 1 12 . 1 1 66 66 LEU N N 66 124.161 124.161 121.880 2.281 19954 7724 1 12 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.125 0.176 19954 7725 1 12 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.933 -4.878 19954 7726 1 12 . 1 1 66 66 LEU CB C 66 38.107 38.107 42.026 -3.918 19954 7727 1 12 . 1 1 66 66 LEU H H 66 7.407 7.407 7.775 -0.368 19954 7728 1 12 . 1 1 67 67 TYR N N 67 121.466 121.466 117.646 3.820 19954 7729 1 12 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.307 0.237 19954 7730 1 12 . 1 1 67 67 TYR CA C 67 53.439 53.439 59.884 -6.445 19954 7731 1 12 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.609 -3.428 19954 7732 1 12 . 1 1 67 67 TYR H H 67 8.001 8.001 8.043 -0.042 19954 7733 1 12 . 1 1 68 68 ILE N N 68 121.357 121.357 120.473 0.884 19954 7734 1 12 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.546 -0.311 19954 7735 1 12 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.117 -1.735 19954 7736 1 12 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.831 -1.751 19954 7737 1 12 . 1 1 68 68 ILE H H 68 7.811 7.811 8.360 -0.549 19954 7738 1 12 . 1 1 69 69 ILE N N 69 117.955 117.955 119.673 -1.718 19954 7739 1 12 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.489 -0.140 19954 7740 1 12 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.820 -2.407 19954 7741 1 12 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.602 -1.683 19954 7742 1 12 . 1 1 69 69 ILE H H 69 6.886 6.886 8.647 -1.761 19954 7743 1 12 . 1 1 70 70 ASP N N 70 118.932 118.932 120.013 -1.081 19954 7744 1 12 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.033 0.363 19954 7745 1 12 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.842 -1.806 19954 7746 1 12 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.990 0.599 19954 7747 1 12 . 1 1 70 70 ASP H H 70 9.100 9.100 8.301 0.799 19954 7748 1 12 . 1 1 71 71 SER N N 71 110.354 110.354 115.615 -5.261 19954 7749 1 12 . 1 1 71 71 SER HA H 71 4.104 4.104 4.174 -0.070 19954 7750 1 12 . 1 1 71 71 SER CA C 71 58.746 58.746 62.104 -3.358 19954 7751 1 12 . 1 1 71 71 SER CB C 71 61.136 61.136 63.221 -2.085 19954 7752 1 12 . 1 1 71 71 SER H H 71 7.938 7.938 7.850 0.088 19954 7753 1 12 . 1 1 72 72 ILE N N 72 117.565 117.565 121.123 -3.558 19954 7754 1 12 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.508 -0.243 19954 7755 1 12 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.014 -1.365 19954 7756 1 12 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.495 -1.732 19954 7757 1 12 . 1 1 72 72 ILE H H 72 7.912 7.912 7.767 0.145 19954 7758 1 12 . 1 1 73 73 GLY N N 73 107.350 107.350 107.597 -0.247 19954 7759 1 12 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.217 -2.470 19954 7760 1 12 . 1 1 73 73 GLY H H 73 8.847 8.847 8.507 0.340 19954 7761 1 12 . 1 1 74 74 ARG N N 74 118.068 118.068 122.555 -4.487 19954 7762 1 12 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.872 0.078 19954 7763 1 12 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.596 -0.424 19954 7764 1 12 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.154 -2.482 19954 7765 1 12 . 1 1 74 74 ARG H H 74 8.705 8.705 8.070 0.635 19954 7766 1 12 . 1 1 75 75 ALA N N 75 123.817 123.817 122.184 1.633 19954 7767 1 12 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.120 0.096 19954 7768 1 12 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.140 -2.278 19954 7769 1 12 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.166 -2.765 19954 7770 1 12 . 1 1 75 75 ALA H H 75 7.673 7.673 7.922 -0.249 19954 7771 1 12 . 1 1 76 76 TYR N N 76 119.918 119.918 118.787 1.131 19954 7772 1 12 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.172 0.365 19954 7773 1 12 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.183 -5.090 19954 7774 1 12 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.721 -3.918 19954 7775 1 12 . 1 1 76 76 TYR H H 76 8.659 8.659 8.447 0.212 19954 7776 1 12 . 1 1 77 77 LEU N N 77 123.387 123.387 120.817 2.570 19954 7777 1 12 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.927 -0.113 19954 7778 1 12 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.759 -3.584 19954 7779 1 12 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.648 -1.774 19954 7780 1 12 . 1 1 77 77 LEU H H 77 8.756 8.756 8.627 0.129 19954 7781 1 12 . 1 1 78 78 ASP N N 78 120.181 120.181 118.346 1.835 19954 7782 1 12 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.277 0.018 19954 7783 1 12 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.643 -2.840 19954 7784 1 12 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.499 -2.676 19954 7785 1 12 . 1 1 78 78 ASP H H 78 7.891 7.891 8.172 -0.281 19954 7786 1 12 . 1 1 79 79 GLU N N 79 120.503 120.503 118.858 1.645 19954 7787 1 12 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.975 0.043 19954 7788 1 12 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.331 -2.857 19954 7789 1 12 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.288 -2.084 19954 7790 1 12 . 1 1 79 79 GLU H H 79 7.502 7.502 8.133 -0.631 19954 7791 1 12 . 1 1 80 80 THR N N 80 111.013 111.013 114.361 -3.348 19954 7792 1 12 . 1 1 80 80 THR HA H 80 4.151 4.151 4.177 -0.026 19954 7793 1 12 . 1 1 80 80 THR CA C 80 61.984 61.984 65.476 -3.492 19954 7794 1 12 . 1 1 80 80 THR CB C 80 67.420 67.420 68.820 -1.401 19954 7795 1 12 . 1 1 80 80 THR H H 80 7.883 7.883 7.798 0.085 19954 7796 1 12 . 1 1 81 81 ARG N N 81 120.172 120.172 121.207 -1.035 19954 7797 1 12 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.081 -0.002 19954 7798 1 12 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.933 -3.796 19954 7799 1 12 . 1 1 81 81 ARG H H 81 7.471 7.471 8.394 -0.923 19954 7800 1 12 . 1 1 82 82 SER N N 82 113.571 113.571 114.405 -0.834 19954 7801 1 12 . 1 1 82 82 SER HA H 82 4.329 4.329 4.221 0.108 19954 7802 1 12 . 1 1 82 82 SER CA C 82 56.193 56.193 60.381 -4.188 19954 7803 1 12 . 1 1 82 82 SER CB C 82 72.312 72.312 63.565 8.747 19954 7804 1 12 . 1 1 82 82 SER H H 82 7.744 7.744 8.264 -0.520 19954 7805 1 12 . 1 1 83 83 ASN N N 83 119.990 119.990 113.873 6.117 19954 7806 1 12 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.714 0.028 19954 7807 1 12 . 1 1 83 83 ASN CA C 83 50.163 50.163 52.594 -2.431 19954 7808 1 12 . 1 1 83 83 ASN H H 83 7.792 7.792 7.355 0.437 19954 7809 1 12 . 1 1 84 84 SER N N 84 116.799 116.799 114.008 2.791 19954 7810 1 12 . 1 1 84 84 SER HA H 84 4.291 4.291 4.129 0.162 19954 7811 1 12 . 1 1 84 84 SER CA C 84 56.325 56.325 58.609 -2.284 19954 7812 1 12 . 1 1 84 84 SER H H 84 8.352 8.352 8.537 -0.185 19954 7813 1 12 . 1 1 85 85 ASN N N 85 120.087 120.087 119.686 0.401 19954 7814 1 12 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.785 -0.118 19954 7815 1 12 . 1 1 85 85 ASN CA C 85 50.808 50.808 51.972 -1.164 19954 7816 1 12 . 1 1 85 85 ASN H H 85 8.362 8.362 8.328 0.034 19954 7817 1 12 . 1 1 86 86 SER N N 86 116.068 116.068 116.446 -0.378 19954 7818 1 12 . 1 1 86 86 SER HA H 86 4.362 4.362 4.453 -0.091 19954 7819 1 12 . 1 1 86 86 SER CA C 86 55.853 55.853 58.936 -3.083 19954 7820 1 12 . 1 1 86 86 SER H H 86 8.102 8.102 8.513 -0.411 19954 7821 1 12 . 1 1 87 87 SER N N 87 117.615 117.615 115.525 2.090 19954 7822 1 12 . 1 1 87 87 SER HA H 87 4.302 4.302 4.848 -0.546 19954 7823 1 12 . 1 1 87 87 SER CA C 87 55.608 55.608 57.695 -2.087 19954 7824 1 12 . 1 1 87 87 SER H H 87 8.269 8.269 8.470 -0.201 19954 7825 1 12 . 1 1 88 88 SER N N 88 122.455 122.455 117.004 5.451 19954 7826 1 12 . 1 1 88 88 SER CA C 88 53.710 53.710 57.419 -3.709 19954 7827 1 12 . 1 1 88 88 SER H H 88 8.377 8.377 8.434 -0.057 19954 7828 1 12 . 1 1 89 89 ASN N N 89 115.430 115.430 118.270 -2.840 19954 7829 1 12 . 1 1 89 89 ASN CA C 89 58.900 58.900 54.012 4.888 19954 7830 1 12 . 1 1 89 89 ASN H H 89 8.141 8.141 8.379 -0.238 19954 7831 1 12 . 1 1 90 90 LYS N N 90 128.071 128.071 121.905 6.166 19954 7832 1 12 . 1 1 90 90 LYS CA C 90 55.381 55.381 54.547 0.834 19954 7833 1 12 . 1 1 90 90 LYS H H 90 7.961 7.961 8.264 -0.303 19954 7834 1 12 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.657 -1.252 19954 7835 1 12 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.714 -2.093 19954 7836 1 12 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.663 -3.970 19954 7837 1 12 . 1 1 92 92 GLY N N 92 112.403 112.403 105.263 7.140 19954 7838 1 12 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.446 -3.140 19954 7839 1 12 . 1 1 92 92 GLY H H 92 10.139 10.139 8.871 1.268 19954 7840 1 12 . 1 1 93 93 THR N N 93 106.254 106.254 111.116 -4.862 19954 7841 1 12 . 1 1 93 93 THR HA H 93 4.527 4.527 5.088 -0.561 19954 7842 1 12 . 1 1 93 93 THR CA C 93 56.663 56.663 59.617 -2.954 19954 7843 1 12 . 1 1 93 93 THR CB C 93 70.927 70.927 70.753 0.174 19954 7844 1 12 . 1 1 93 93 THR H H 93 7.180 7.180 7.186 -0.006 19954 7845 1 12 . 1 1 94 94 CYS N N 94 121.465 121.465 117.733 3.732 19954 7846 1 12 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.546 -0.096 19954 7847 1 12 . 1 1 94 94 CYS CA C 94 60.867 60.867 62.747 -1.880 19954 7848 1 12 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.992 -1.746 19954 7849 1 12 . 1 1 94 94 CYS H H 94 8.777 8.777 8.428 0.349 19954 7850 1 12 . 1 1 95 95 ALA N N 95 119.619 119.619 123.718 -4.099 19954 7851 1 12 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.890 -0.048 19954 7852 1 12 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.322 -2.577 19954 7853 1 12 . 1 1 95 95 ALA CB C 95 15.704 15.704 18.135 -2.431 19954 7854 1 12 . 1 1 95 95 ALA H H 95 8.392 8.392 8.371 0.021 19954 7855 1 12 . 1 1 96 96 HIS N N 96 118.081 118.081 118.196 -0.115 19954 7856 1 12 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.225 -0.019 19954 7857 1 12 . 1 1 96 96 HIS CA C 96 57.691 57.691 57.541 0.150 19954 7858 1 12 . 1 1 96 96 HIS CB C 96 27.084 27.084 28.787 -1.703 19954 7859 1 12 . 1 1 96 96 HIS H H 96 7.631 7.631 8.198 -0.567 19954 7860 1 12 . 1 1 97 97 ALA N N 97 123.652 123.652 122.933 0.719 19954 7861 1 12 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.301 -0.360 19954 7862 1 12 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.248 -2.090 19954 7863 1 12 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.514 -0.850 19954 7864 1 12 . 1 1 97 97 ALA H H 97 7.347 7.347 8.402 -1.055 19954 7865 1 12 . 1 1 98 98 ILE N N 98 115.278 115.278 119.363 -4.085 19954 7866 1 12 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.473 0.051 19954 7867 1 12 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.910 -2.927 19954 7868 1 12 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.849 -2.182 19954 7869 1 12 . 1 1 98 98 ILE H H 98 7.916 7.916 8.547 -0.631 19954 7870 1 12 . 1 1 99 99 ASN N N 99 120.684 120.684 117.289 3.395 19954 7871 1 12 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.402 0.002 19954 7872 1 12 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.512 -2.373 19954 7873 1 12 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.309 -2.064 19954 7874 1 12 . 1 1 99 99 ASN H H 99 7.978 7.978 8.122 -0.144 19954 7875 1 12 . 1 1 100 100 THR N N 100 117.791 117.791 116.929 0.862 19954 7876 1 12 . 1 1 100 100 THR HA H 100 3.630 3.630 3.975 -0.345 19954 7877 1 12 . 1 1 100 100 THR CA C 100 63.899 63.899 66.786 -2.887 19954 7878 1 12 . 1 1 100 100 THR CB C 100 66.038 66.038 68.803 -2.765 19954 7879 1 12 . 1 1 100 100 THR H H 100 8.295 8.295 8.163 0.132 19954 7880 1 12 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.792 -0.074 19954 7881 1 12 . 1 1 101 101 LEU CA C 101 54.425 54.425 57.953 -3.528 19954 7882 1 12 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.176 0.012 19954 7883 1 12 . 1 1 101 101 LEU H H 101 7.825 7.825 8.269 -0.444 19954 7884 1 12 . 1 1 102 102 GLY N N 102 105.767 105.767 103.632 2.135 19954 7885 1 12 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.894 -1.553 19954 7886 1 12 . 1 1 102 102 GLY H H 102 8.591 8.591 8.017 0.574 19954 7887 1 12 . 1 1 103 103 GLU N N 103 116.366 116.366 119.244 -2.878 19954 7888 1 12 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.434 -0.367 19954 7889 1 12 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.874 -2.428 19954 7890 1 12 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.273 -2.896 19954 7891 1 12 . 1 1 103 103 GLU H H 103 7.471 7.471 7.783 -0.312 19954 7892 1 12 . 1 1 104 104 VAL N N 104 108.377 108.377 113.942 -5.565 19954 7893 1 12 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.474 0.282 19954 7894 1 12 . 1 1 104 104 VAL CA C 104 57.855 57.855 61.470 -3.615 19954 7895 1 12 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.435 -2.557 19954 7896 1 12 . 1 1 104 104 VAL H H 104 7.016 7.016 7.952 -0.936 19954 7897 1 12 . 1 1 105 105 ILE N N 105 123.784 123.784 122.746 1.038 19954 7898 1 12 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.711 0.043 19954 7899 1 12 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.850 -6.450 19954 7900 1 12 . 1 1 105 105 ILE CB C 105 35.411 35.411 38.178 -2.768 19954 7901 1 12 . 1 1 105 105 ILE H H 105 7.197 7.197 8.630 -1.433 19954 7902 1 12 . 1 1 106 106 GLN N N 106 121.117 121.117 118.518 2.599 19954 7903 1 12 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.960 -0.305 19954 7904 1 12 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.347 -1.013 19954 7905 1 12 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.351 -0.459 19954 7906 1 12 . 1 1 106 106 GLN H H 106 8.549 8.549 8.745 -0.196 19954 7907 1 12 . 1 1 107 107 GLU N N 107 122.716 122.716 121.595 1.121 19954 7908 1 12 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.171 -0.334 19954 7909 1 12 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.668 -2.080 19954 7910 1 12 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.948 -2.414 19954 7911 1 12 . 1 1 107 107 GLU H H 107 7.762 7.762 8.133 -0.371 19954 7912 1 12 . 1 1 108 108 LEU N N 108 116.615 116.615 121.508 -4.893 19954 7913 1 12 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.035 -0.056 19954 7914 1 12 . 1 1 108 108 LEU CA C 108 54.794 54.794 58.013 -3.219 19954 7915 1 12 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.735 -3.238 19954 7916 1 12 . 1 1 108 108 LEU H H 108 8.016 8.016 7.606 0.410 19954 7917 1 12 . 1 1 109 109 LEU N N 109 118.708 118.708 119.076 -0.368 19954 7918 1 12 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.904 -0.064 19954 7919 1 12 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.962 -3.236 19954 7920 1 12 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.794 -0.472 19954 7921 1 12 . 1 1 109 109 LEU H H 109 8.801 8.801 8.524 0.277 19954 7922 1 12 . 1 1 110 110 SER N N 110 114.083 114.083 114.618 -0.535 19954 7923 1 12 . 1 1 110 110 SER HA H 110 3.848 3.848 4.111 -0.263 19954 7924 1 12 . 1 1 110 110 SER CA C 110 60.127 60.127 61.918 -1.791 19954 7925 1 12 . 1 1 110 110 SER CB C 110 60.300 60.300 62.648 -2.348 19954 7926 1 12 . 1 1 110 110 SER H H 110 8.161 8.161 8.397 -0.236 19954 7927 1 12 . 1 1 111 111 ASP N N 111 120.151 120.151 122.712 -2.561 19954 7928 1 12 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.292 0.050 19954 7929 1 12 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.039 -2.272 19954 7930 1 12 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.498 -0.754 19954 7931 1 12 . 1 1 111 111 ASP H H 111 7.614 7.614 8.097 -0.483 19954 7932 1 12 . 1 1 112 112 ALA N N 112 116.927 116.927 123.073 -6.146 19954 7933 1 12 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.972 -0.383 19954 7934 1 12 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.261 -2.538 19954 7935 1 12 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.636 -0.989 19954 7936 1 12 . 1 1 112 112 ALA H H 112 7.662 7.662 8.034 -0.372 19954 7937 1 12 . 1 1 113 113 ILE N N 113 119.039 119.039 119.658 -0.619 19954 7938 1 12 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.719 -0.492 19954 7939 1 12 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.883 -1.203 19954 7940 1 12 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.330 -1.171 19954 7941 1 12 . 1 1 113 113 ILE H H 113 8.681 8.681 8.468 0.213 19954 7942 1 12 . 1 1 114 114 ALA N N 114 120.055 120.055 123.413 -3.358 19954 7943 1 12 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.983 -0.076 19954 7944 1 12 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.874 -2.286 19954 7945 1 12 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.055 -1.924 19954 7946 1 12 . 1 1 114 114 ALA H H 114 7.716 7.716 8.209 -0.493 19954 7947 1 12 . 1 1 115 115 LYS N N 115 113.845 113.845 118.329 -4.484 19954 7948 1 12 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.062 0.021 19954 7949 1 12 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.964 -4.009 19954 7950 1 12 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.987 -1.354 19954 7951 1 12 . 1 1 115 115 LYS H H 115 7.248 7.248 8.203 -0.955 19954 7952 1 12 . 1 1 116 116 SER N N 116 115.794 115.794 113.664 2.130 19954 7953 1 12 . 1 1 116 116 SER HA H 116 4.503 4.503 4.274 0.229 19954 7954 1 12 . 1 1 116 116 SER CA C 116 57.848 57.848 59.702 -1.854 19954 7955 1 12 . 1 1 116 116 SER CB C 116 63.380 63.380 63.513 -0.133 19954 7956 1 12 . 1 1 116 116 SER H H 116 7.124 7.124 8.166 -1.042 19954 7957 1 12 . 1 1 117 117 ASN N N 117 119.747 119.747 120.513 -0.766 19954 7958 1 12 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.769 -0.247 19954 7959 1 12 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.118 -2.776 19954 7960 1 12 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.052 -3.770 19954 7961 1 12 . 1 1 117 117 ASN H H 117 8.457 8.457 8.194 0.263 19954 7962 1 12 . 1 1 118 118 GLN N N 118 117.591 117.591 119.824 -2.233 19954 7963 1 12 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.908 -0.131 19954 7964 1 12 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.161 -2.977 19954 7965 1 12 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.345 3.196 19954 7966 1 12 . 1 1 118 118 GLN H H 118 8.418 8.418 8.834 -0.416 19954 7967 1 12 . 1 1 119 119 ASP N N 119 119.281 119.281 118.364 0.917 19954 7968 1 12 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.439 -0.149 19954 7969 1 12 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.785 -3.192 19954 7970 1 12 . 1 1 119 119 ASP CB C 119 38.903 38.903 39.991 -1.088 19954 7971 1 12 . 1 1 119 119 ASP H H 119 7.973 7.973 8.636 -0.663 19954 7972 1 12 . 1 1 120 120 HIS N N 120 118.871 118.871 118.301 0.570 19954 7973 1 12 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.109 0.231 19954 7974 1 12 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.629 -2.871 19954 7975 1 12 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.598 -1.870 19954 7976 1 12 . 1 1 120 120 HIS H H 120 8.702 8.702 8.144 0.558 19954 7977 1 12 . 1 1 121 121 LYS N N 121 120.739 120.739 119.319 1.420 19954 7978 1 12 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.984 -0.216 19954 7979 1 12 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.293 0.392 19954 7980 1 12 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.420 -0.496 19954 7981 1 12 . 1 1 121 121 LYS H H 121 8.990 8.990 8.703 0.287 19954 7982 1 12 . 1 1 122 122 GLU N N 122 117.889 117.889 120.034 -2.145 19954 7983 1 12 . 1 1 122 122 GLU HA H 122 4.062 4.062 3.999 0.063 19954 7984 1 12 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.509 -3.404 19954 7985 1 12 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.518 -2.827 19954 7986 1 12 . 1 1 122 122 GLU H H 122 7.615 7.615 7.796 -0.181 19954 7987 1 12 . 1 1 123 123 LYS N N 123 119.139 119.139 118.166 0.973 19954 7988 1 12 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.104 -0.145 19954 7989 1 12 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.784 -2.182 19954 7990 1 12 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.972 -1.749 19954 7991 1 12 . 1 1 123 123 LYS H H 123 7.550 7.550 7.681 -0.131 19954 7992 1 12 . 1 1 124 124 ILE N N 124 123.103 123.103 119.899 3.204 19954 7993 1 12 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.551 -0.325 19954 7994 1 12 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.694 -2.010 19954 7995 1 12 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.562 -2.818 19954 7996 1 12 . 1 1 124 124 ILE H H 124 8.356 8.356 7.773 0.583 19954 7997 1 12 . 1 1 125 125 ARG N N 125 122.162 122.162 119.928 2.234 19954 7998 1 12 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.845 -0.739 19954 7999 1 12 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.458 -1.434 19954 8000 1 12 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.022 1.949 19954 8001 1 12 . 1 1 125 125 ARG H H 125 7.988 7.988 7.992 -0.004 19954 8002 1 12 . 1 1 126 126 MET N N 126 115.215 115.215 118.935 -3.720 19954 8003 1 12 . 1 1 126 126 MET HA H 126 3.973 3.973 4.097 -0.124 19954 8004 1 12 . 1 1 126 126 MET CA C 126 55.896 55.896 58.899 -3.003 19954 8005 1 12 . 1 1 126 126 MET CB C 126 29.856 29.856 32.392 -2.537 19954 8006 1 12 . 1 1 126 126 MET H H 126 7.455 7.455 7.829 -0.374 19954 8007 1 12 . 1 1 127 127 LEU N N 127 122.351 122.351 120.786 1.565 19954 8008 1 12 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.819 -0.267 19954 8009 1 12 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.544 -2.756 19954 8010 1 12 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.104 -1.826 19954 8011 1 12 . 1 1 127 127 LEU H H 127 7.479 7.479 7.699 -0.220 19954 8012 1 12 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.233 0.650 19954 8013 1 12 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.134 -2.787 19954 8014 1 12 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.111 -2.302 19954 8015 1 12 . 1 1 128 128 LEU H H 128 7.841 7.841 7.912 -0.071 19954 8016 1 12 . 1 1 129 129 ASP N N 129 116.915 116.915 119.516 -2.601 19954 8017 1 12 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.270 0.117 19954 8018 1 12 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.756 -5.157 19954 8019 1 12 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.890 -3.024 19954 8020 1 12 . 1 1 129 129 ASP H H 129 7.034 7.034 7.727 -0.693 19954 8021 1 12 . 1 1 130 130 ILE N N 130 124.155 124.155 120.017 4.138 19954 8022 1 12 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.687 -0.044 19954 8023 1 12 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.394 -2.018 19954 8024 1 12 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.876 -3.092 19954 8025 1 12 . 1 1 130 130 ILE H H 130 7.671 7.671 7.655 0.016 19954 8026 1 12 . 1 1 131 131 TRP N N 131 125.421 125.421 119.995 5.426 19954 8027 1 12 . 1 1 131 131 TRP H H 131 8.831 8.831 7.815 1.016 19954 8028 1 12 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.855 2.584 19954 8029 1 12 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.330 0.153 19954 8030 1 12 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.982 -4.245 19954 8031 1 12 . 1 1 144 144 ALA N N 144 121.013 121.013 122.777 -1.764 19954 8032 1 12 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.945 0.159 19954 8033 1 12 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.855 -2.178 19954 8034 1 12 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.679 -3.303 19954 8035 1 12 . 1 1 144 144 ALA H H 144 8.212 8.212 8.192 0.020 19954 8036 1 12 . 1 1 145 145 ILE N N 145 117.646 117.646 115.615 2.031 19954 8037 1 12 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.424 0.404 19954 8038 1 12 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.683 -4.339 19954 8039 1 12 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.330 0.812 19954 8040 1 12 . 1 1 145 145 ILE H H 145 7.183 7.183 7.769 -0.586 19954 8041 1 12 . 1 1 146 146 ARG N N 146 121.150 121.150 120.837 0.313 19954 8042 1 12 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.848 0.054 19954 8043 1 12 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.577 -0.112 19954 8044 1 12 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.934 -2.151 19954 8045 1 12 . 1 1 146 146 ARG H H 146 8.477 8.477 7.455 1.022 19954 8046 1 12 . 1 1 147 147 SER N N 147 111.836 111.836 114.706 -2.870 19954 8047 1 12 . 1 1 147 147 SER HA H 147 4.162 4.162 4.282 -0.120 19954 8048 1 12 . 1 1 147 147 SER CA C 147 58.642 58.642 58.970 -0.328 19954 8049 1 12 . 1 1 147 147 SER CB C 147 60.972 60.972 62.902 -1.930 19954 8050 1 12 . 1 1 147 147 SER H H 147 8.187 8.187 7.576 0.611 19954 8051 1 12 . 1 1 148 148 LYS N N 148 118.675 118.675 128.568 -9.893 19954 8052 1 12 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.965 0.173 19954 8053 1 12 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.425 -3.408 19954 8054 1 12 . 1 1 148 148 LYS CB C 148 31.780 31.780 32.056 -0.276 19954 8055 1 12 . 1 1 148 148 LYS H H 148 7.837 7.837 8.487 -0.650 19954 8056 1 12 . 1 1 149 149 CYS N N 149 113.256 113.256 118.737 -5.481 19954 8057 1 12 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.160 0.432 19954 8058 1 12 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.835 -10.823 19954 8059 1 12 . 1 1 149 149 CYS H H 149 8.267 8.267 8.177 0.090 19954 8060 1 12 . 1 1 150 150 PHE N N 150 116.623 116.623 120.850 -4.227 19954 8061 1 12 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.063 0.881 19954 8062 1 12 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.766 -7.357 19954 8063 1 12 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.626 -0.573 19954 8064 1 12 . 1 1 150 150 PHE H H 150 7.373 7.373 8.933 -1.560 19954 8065 1 12 . 1 1 151 151 ALA N N 151 122.583 122.583 121.055 1.528 19954 8066 1 12 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.920 0.259 19954 8067 1 12 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.091 -4.450 19954 8068 1 12 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.319 -2.380 19954 8069 1 12 . 1 1 151 151 ALA H H 151 7.710 7.710 8.594 -0.884 19954 8070 1 12 . 1 1 152 152 MET N N 152 118.250 118.250 117.372 0.878 19954 8071 1 12 . 1 1 152 152 MET HA H 152 4.262 4.262 4.022 0.240 19954 8072 1 12 . 1 1 152 152 MET CA C 152 53.482 53.482 59.487 -6.005 19954 8073 1 12 . 1 1 152 152 MET CB C 152 30.488 30.488 32.402 -1.914 19954 8074 1 12 . 1 1 152 152 MET H H 152 8.086 8.086 8.061 0.025 19954 8075 1 12 . 1 1 153 153 ASP N N 153 121.780 121.780 120.287 1.493 19954 8076 1 12 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.576 -0.098 19954 8077 1 12 . 1 1 153 153 ASP CA C 153 51.626 51.626 57.769 -6.143 19954 8078 1 12 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.257 -2.797 19954 8079 1 12 . 1 1 153 153 ASP H H 153 8.299 8.299 8.286 0.013 19954 8080 1 12 . 1 1 154 154 LEU N N 154 122.337 122.337 119.001 3.336 19954 8081 1 12 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.032 0.076 19954 8082 1 12 . 1 1 154 154 LEU CA C 154 52.853 52.853 58.099 -5.246 19954 8083 1 12 . 1 1 154 154 LEU CB C 154 39.716 39.716 42.126 -2.410 19954 8084 1 12 . 1 1 154 154 LEU H H 154 8.072 8.072 8.288 -0.216 19954 8085 1 12 . 1 1 155 155 GLU N N 155 119.995 119.995 116.260 3.735 19954 8086 1 12 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.293 -0.298 19954 8087 1 12 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.584 -3.285 19954 8088 1 12 . 1 1 155 155 GLU CB C 155 27.634 27.634 30.067 -2.433 19954 8089 1 12 . 1 1 155 155 GLU H H 155 8.151 8.151 7.638 0.513 19954 8090 1 12 . 1 1 156 156 HIS N N 156 118.980 118.980 121.081 -2.101 19954 8091 1 12 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.189 0.031 19954 8092 1 12 . 1 1 156 156 HIS CA C 156 53.443 53.443 57.401 -3.958 19954 8093 1 12 . 1 1 156 156 HIS H H 156 8.007 8.007 8.184 -0.177 19954 8094 1 12 . 1 1 157 157 HIS N N 157 121.956 121.956 114.034 7.922 19954 8095 1 12 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.189 0.222 19954 8096 1 12 . 1 1 157 157 HIS CA C 157 53.252 53.252 56.163 -2.911 19954 8097 1 12 . 1 1 157 157 HIS H H 157 8.580 8.580 8.259 0.321 19954 8098 1 12 . 1 1 158 158 HIS N N 158 125.474 125.474 119.879 5.595 19954 8099 1 12 . 1 1 158 158 HIS CA C 158 54.628 54.628 54.802 -0.174 19954 8100 1 12 . 1 1 158 158 HIS H H 158 7.906 7.906 8.140 -0.234 19954 8101 1 13 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.512 -0.197 19954 8102 1 13 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.086 -3.372 19954 8103 1 13 . 1 1 5 5 ASP N N 5 120.880 120.880 120.242 0.638 19954 8104 1 13 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.411 0.043 19954 8105 1 13 . 1 1 5 5 ASP CA C 5 52.575 52.575 54.817 -2.242 19954 8106 1 13 . 1 1 5 5 ASP CB C 5 38.724 38.724 40.742 -2.018 19954 8107 1 13 . 1 1 5 5 ASP H H 5 8.277 8.277 8.572 -0.295 19954 8108 1 13 . 1 1 6 6 ASP N N 6 120.876 120.876 118.460 2.416 19954 8109 1 13 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.966 -0.484 19954 8110 1 13 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.020 -0.058 19954 8111 1 13 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.222 -3.664 19954 8112 1 13 . 1 1 6 6 ASP H H 6 8.497 8.497 7.918 0.579 19954 8113 1 13 . 1 1 7 7 PHE N N 7 122.789 122.789 120.456 2.333 19954 8114 1 13 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.287 -0.178 19954 8115 1 13 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.930 -2.060 19954 8116 1 13 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.568 -2.901 19954 8117 1 13 . 1 1 7 7 PHE H H 7 8.337 8.337 8.798 -0.461 19954 8118 1 13 . 1 1 8 8 GLN N N 8 116.255 116.255 119.300 -3.045 19954 8119 1 13 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.807 -0.058 19954 8120 1 13 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.516 -3.790 19954 8121 1 13 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.020 -3.232 19954 8122 1 13 . 1 1 8 8 GLN H H 8 8.488 8.488 8.683 -0.195 19954 8123 1 13 . 1 1 9 9 ASN N N 9 118.242 118.242 118.193 0.049 19954 8124 1 13 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.294 0.020 19954 8125 1 13 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.179 -2.604 19954 8126 1 13 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.345 -2.092 19954 8127 1 13 . 1 1 9 9 ASN H H 9 7.801 7.801 7.798 0.003 19954 8128 1 13 . 1 1 10 10 PHE N N 10 124.982 124.982 121.069 3.913 19954 8129 1 13 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.752 -0.298 19954 8130 1 13 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.270 -2.276 19954 8131 1 13 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.286 -3.251 19954 8132 1 13 . 1 1 10 10 PHE H H 10 6.924 6.924 6.879 0.045 19954 8133 1 13 . 1 1 11 11 VAL N N 11 118.513 118.513 118.904 -0.391 19954 8134 1 13 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.102 -0.268 19954 8135 1 13 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.593 -2.362 19954 8136 1 13 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.004 -0.926 19954 8137 1 13 . 1 1 11 11 VAL H H 11 7.448 7.448 7.807 -0.359 19954 8138 1 13 . 1 1 12 12 ALA N N 12 119.214 119.214 120.805 -1.591 19954 8139 1 13 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.799 0.085 19954 8140 1 13 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.557 -3.131 19954 8141 1 13 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.926 -2.277 19954 8142 1 13 . 1 1 12 12 ALA H H 12 8.028 8.028 8.361 -0.333 19954 8143 1 13 . 1 1 13 13 THR N N 13 116.435 116.435 116.246 0.189 19954 8144 1 13 . 1 1 13 13 THR HA H 13 3.624 3.624 3.707 -0.083 19954 8145 1 13 . 1 1 13 13 THR CA C 13 64.041 64.041 66.664 -2.623 19954 8146 1 13 . 1 1 13 13 THR CB C 13 65.118 65.118 68.545 -3.427 19954 8147 1 13 . 1 1 13 13 THR H H 13 7.638 7.638 7.644 -0.006 19954 8148 1 13 . 1 1 14 14 LEU N N 14 126.284 126.284 121.709 4.575 19954 8149 1 13 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.668 -0.038 19954 8150 1 13 . 1 1 14 14 LEU CA C 14 55.487 55.487 58.113 -2.626 19954 8151 1 13 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.197 -2.345 19954 8152 1 13 . 1 1 14 14 LEU H H 14 7.975 7.975 7.453 0.522 19954 8153 1 13 . 1 1 15 15 GLU N N 15 116.145 116.145 118.174 -2.029 19954 8154 1 13 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.865 -0.048 19954 8155 1 13 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.764 -3.370 19954 8156 1 13 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.047 -2.139 19954 8157 1 13 . 1 1 15 15 GLU H H 15 8.503 8.503 8.406 0.097 19954 8158 1 13 . 1 1 16 16 SER N N 16 114.452 114.452 114.494 -0.042 19954 8159 1 13 . 1 1 16 16 SER HA H 16 4.196 4.196 4.207 -0.011 19954 8160 1 13 . 1 1 16 16 SER CA C 16 58.515 58.515 60.944 -2.429 19954 8161 1 13 . 1 1 16 16 SER CB C 16 60.155 60.155 62.759 -2.604 19954 8162 1 13 . 1 1 16 16 SER H H 16 7.643 7.643 8.079 -0.436 19954 8163 1 13 . 1 1 17 17 PHE N N 17 124.020 124.020 121.859 2.161 19954 8164 1 13 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.161 -0.337 19954 8165 1 13 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.158 -0.823 19954 8166 1 13 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.794 -1.940 19954 8167 1 13 . 1 1 17 17 PHE H H 17 8.082 8.082 8.031 0.051 19954 8168 1 13 . 1 1 18 18 LYS N N 18 116.570 116.570 118.247 -1.677 19954 8169 1 13 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.116 -0.169 19954 8170 1 13 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.229 -2.374 19954 8171 1 13 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.759 -2.307 19954 8172 1 13 . 1 1 18 18 LYS H H 18 7.849 7.849 7.902 -0.053 19954 8173 1 13 . 1 1 19 19 ASP N N 19 116.332 116.332 119.553 -3.221 19954 8174 1 13 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.491 0.048 19954 8175 1 13 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.871 -3.714 19954 8176 1 13 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.467 -2.764 19954 8177 1 13 . 1 1 19 19 ASP H H 19 7.276 7.276 7.686 -0.410 19954 8178 1 13 . 1 1 20 20 LEU N N 20 119.769 119.769 119.572 0.197 19954 8179 1 13 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.289 0.110 19954 8180 1 13 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.177 -4.178 19954 8181 1 13 . 1 1 20 20 LEU H H 20 7.226 7.226 7.596 -0.370 19954 8182 1 13 . 1 1 21 21 LYS N N 21 126.041 126.041 120.485 5.556 19954 8183 1 13 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.454 -0.391 19954 8184 1 13 . 1 1 21 21 LYS CA C 21 56.849 56.849 55.293 1.556 19954 8185 1 13 . 1 1 21 21 LYS CB C 21 31.634 31.634 30.142 1.492 19954 8186 1 13 . 1 1 21 21 LYS H H 21 9.203 9.203 8.573 0.630 19954 8187 1 13 . 1 1 22 22 SER N N 22 109.885 109.885 114.263 -4.378 19954 8188 1 13 . 1 1 22 22 SER HA H 22 4.322 4.322 4.177 0.145 19954 8189 1 13 . 1 1 22 22 SER CA C 22 55.254 55.254 58.935 -3.681 19954 8190 1 13 . 1 1 22 22 SER CB C 22 62.254 62.254 62.328 -0.074 19954 8191 1 13 . 1 1 22 22 SER H H 22 8.607 8.607 7.981 0.626 19954 8192 1 13 . 1 1 23 23 GLY N N 23 106.286 106.286 108.180 -1.894 19954 8193 1 13 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.956 -0.976 19954 8194 1 13 . 1 1 23 23 GLY H H 23 6.619 6.619 8.617 -1.998 19954 8195 1 13 . 1 1 24 24 ILE N N 24 118.883 118.883 119.327 -0.444 19954 8196 1 13 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.031 -0.047 19954 8197 1 13 . 1 1 24 24 ILE CA C 24 59.167 59.167 61.472 -2.305 19954 8198 1 13 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.373 2.273 19954 8199 1 13 . 1 1 24 24 ILE H H 24 7.929 7.929 8.360 -0.431 19954 8200 1 13 . 1 1 25 25 SER N N 25 117.952 117.952 118.164 -0.212 19954 8201 1 13 . 1 1 25 25 SER HA H 25 5.093 5.093 4.669 0.424 19954 8202 1 13 . 1 1 25 25 SER CA C 25 52.534 52.534 58.091 -5.557 19954 8203 1 13 . 1 1 25 25 SER CB C 25 61.938 61.938 64.279 -2.341 19954 8204 1 13 . 1 1 25 25 SER H H 25 5.660 5.660 8.337 -2.677 19954 8205 1 13 . 1 1 26 26 GLY N N 26 120.266 120.266 113.573 6.693 19954 8206 1 13 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.207 -1.720 19954 8207 1 13 . 1 1 26 26 GLY H H 26 8.596 8.596 9.039 -0.443 19954 8208 1 13 . 1 1 27 27 SER N N 27 120.500 120.500 116.961 3.539 19954 8209 1 13 . 1 1 27 27 SER HA H 27 4.410 4.410 4.090 0.320 19954 8210 1 13 . 1 1 27 27 SER CA C 27 58.793 58.793 61.518 -2.725 19954 8211 1 13 . 1 1 27 27 SER CB C 27 62.224 62.224 62.925 -0.701 19954 8212 1 13 . 1 1 27 27 SER H H 27 9.846 9.846 8.214 1.632 19954 8213 1 13 . 1 1 28 28 ARG N N 28 123.779 123.779 120.619 3.160 19954 8214 1 13 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.728 0.157 19954 8215 1 13 . 1 1 28 28 ARG CA C 28 56.840 56.840 58.636 -1.796 19954 8216 1 13 . 1 1 28 28 ARG CB C 28 28.114 28.114 28.700 -0.586 19954 8217 1 13 . 1 1 28 28 ARG H H 28 8.034 8.034 7.250 0.784 19954 8218 1 13 . 1 1 29 29 ILE N N 29 120.700 120.700 120.043 0.657 19954 8219 1 13 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.674 -0.202 19954 8220 1 13 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.281 -0.652 19954 8221 1 13 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.552 -1.884 19954 8222 1 13 . 1 1 29 29 ILE H H 29 8.374 8.374 7.485 0.889 19954 8223 1 13 . 1 1 30 30 LYS N N 30 124.209 124.209 120.330 3.879 19954 8224 1 13 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.892 0.136 19954 8225 1 13 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.406 -3.005 19954 8226 1 13 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.275 -2.995 19954 8227 1 13 . 1 1 30 30 LYS H H 30 8.231 8.231 8.070 0.161 19954 8228 1 13 . 1 1 31 31 LYS N N 31 120.422 120.422 119.293 1.129 19954 8229 1 13 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.019 0.019 19954 8230 1 13 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.681 -2.063 19954 8231 1 13 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.002 -1.833 19954 8232 1 13 . 1 1 31 31 LYS H H 31 7.449 7.449 7.706 -0.257 19954 8233 1 13 . 1 1 32 32 LEU N N 32 118.348 118.348 119.551 -1.203 19954 8234 1 13 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.104 -0.043 19954 8235 1 13 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.659 -3.249 19954 8236 1 13 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.293 -1.511 19954 8237 1 13 . 1 1 32 32 LEU H H 32 8.186 8.186 8.103 0.083 19954 8238 1 13 . 1 1 33 33 THR N N 33 116.500 116.500 115.503 0.997 19954 8239 1 13 . 1 1 33 33 THR HA H 33 3.662 3.662 4.008 -0.346 19954 8240 1 13 . 1 1 33 33 THR CA C 33 64.726 64.726 67.314 -2.588 19954 8241 1 13 . 1 1 33 33 THR CB C 33 66.097 66.097 68.120 -2.023 19954 8242 1 13 . 1 1 33 33 THR H H 33 8.066 8.066 8.657 -0.591 19954 8243 1 13 . 1 1 34 34 THR N N 34 119.029 119.029 118.248 0.781 19954 8244 1 13 . 1 1 34 34 THR HA H 34 3.759 3.759 3.985 -0.226 19954 8245 1 13 . 1 1 34 34 THR CA C 34 64.291 64.291 66.190 -1.899 19954 8246 1 13 . 1 1 34 34 THR CB C 34 66.733 66.733 68.755 -2.022 19954 8247 1 13 . 1 1 34 34 THR H H 34 8.685 8.685 8.162 0.523 19954 8248 1 13 . 1 1 35 35 TYR N N 35 120.298 120.298 122.644 -2.346 19954 8249 1 13 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.121 0.081 19954 8250 1 13 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.887 -1.733 19954 8251 1 13 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.156 -2.146 19954 8252 1 13 . 1 1 35 35 TYR H H 35 7.663 7.663 8.249 -0.586 19954 8253 1 13 . 1 1 36 36 ALA N N 36 121.480 121.480 122.037 -0.557 19954 8254 1 13 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.983 -0.071 19954 8255 1 13 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.964 -1.828 19954 8256 1 13 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.534 -3.661 19954 8257 1 13 . 1 1 36 36 ALA H H 36 8.543 8.543 8.469 0.074 19954 8258 1 13 . 1 1 37 37 LEU N N 37 120.767 120.767 118.576 2.191 19954 8259 1 13 . 1 1 37 37 LEU HA H 37 4.103 4.103 4.014 0.089 19954 8260 1 13 . 1 1 37 37 LEU CA C 37 54.840 54.840 57.880 -3.041 19954 8261 1 13 . 1 1 37 37 LEU CB C 37 40.182 40.182 40.711 -0.529 19954 8262 1 13 . 1 1 37 37 LEU H H 37 8.351 8.351 8.232 0.119 19954 8263 1 13 . 1 1 38 38 ASP N N 38 119.008 119.008 117.857 1.151 19954 8264 1 13 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.322 0.134 19954 8265 1 13 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.520 -4.380 19954 8266 1 13 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.390 -2.491 19954 8267 1 13 . 1 1 38 38 ASP H H 38 7.557 7.557 7.972 -0.415 19954 8268 1 13 . 1 1 39 39 HIS N N 39 118.142 118.142 118.133 0.009 19954 8269 1 13 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.656 -0.031 19954 8270 1 13 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.536 -2.390 19954 8271 1 13 . 1 1 39 39 HIS CB C 39 25.506 25.506 30.328 -4.822 19954 8272 1 13 . 1 1 39 39 HIS H H 39 7.094 7.094 7.723 -0.629 19954 8273 1 13 . 1 1 40 40 ILE N N 40 121.885 121.885 125.490 -3.605 19954 8274 1 13 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.980 -0.554 19954 8275 1 13 . 1 1 40 40 ILE CA C 40 62.593 62.593 60.556 2.037 19954 8276 1 13 . 1 1 40 40 ILE CB C 40 36.173 36.173 36.823 -0.650 19954 8277 1 13 . 1 1 40 40 ILE H H 40 7.630 7.630 8.609 -0.979 19954 8278 1 13 . 1 1 41 41 ASP N N 41 114.814 114.814 118.851 -4.037 19954 8279 1 13 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.568 -0.382 19954 8280 1 13 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.055 -0.039 19954 8281 1 13 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.998 -4.162 19954 8282 1 13 . 1 1 41 41 ASP H H 41 8.433 8.433 8.606 -0.173 19954 8283 1 13 . 1 1 42 42 ILE N N 42 113.793 113.793 113.099 0.694 19954 8284 1 13 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.390 0.322 19954 8285 1 13 . 1 1 42 42 ILE CA C 42 58.241 58.241 59.844 -1.603 19954 8286 1 13 . 1 1 42 42 ILE CB C 42 34.896 34.896 37.780 -2.884 19954 8287 1 13 . 1 1 42 42 ILE H H 42 7.447 7.447 7.064 0.383 19954 8288 1 13 . 1 1 43 43 GLU N N 43 120.845 120.845 122.699 -1.854 19954 8289 1 13 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.125 -0.079 19954 8290 1 13 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.618 -2.850 19954 8291 1 13 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.706 -4.689 19954 8292 1 13 . 1 1 43 43 GLU H H 43 8.195 8.195 8.002 0.193 19954 8293 1 13 . 1 1 44 44 SER N N 44 113.781 113.781 115.706 -1.925 19954 8294 1 13 . 1 1 44 44 SER HA H 44 3.944 3.944 4.090 -0.146 19954 8295 1 13 . 1 1 44 44 SER CA C 44 59.590 59.590 62.021 -2.431 19954 8296 1 13 . 1 1 44 44 SER CB C 44 59.878 59.878 62.600 -2.722 19954 8297 1 13 . 1 1 44 44 SER H H 44 8.728 8.728 8.634 0.094 19954 8298 1 13 . 1 1 45 45 LYS N N 45 121.258 121.258 121.323 -0.065 19954 8299 1 13 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.009 0.070 19954 8300 1 13 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.727 -2.538 19954 8301 1 13 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.290 -0.813 19954 8302 1 13 . 1 1 45 45 LYS H H 45 7.329 7.329 8.108 -0.779 19954 8303 1 13 . 1 1 46 46 ILE N N 46 121.022 121.022 121.582 -0.560 19954 8304 1 13 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.723 -0.360 19954 8305 1 13 . 1 1 46 46 ILE CA C 46 63.257 63.257 64.974 -1.717 19954 8306 1 13 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.604 -0.712 19954 8307 1 13 . 1 1 46 46 ILE H H 46 7.360 7.360 7.930 -0.570 19954 8308 1 13 . 1 1 47 47 ILE N N 47 118.543 118.543 119.373 -0.830 19954 8309 1 13 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.615 0.124 19954 8310 1 13 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.179 -5.522 19954 8311 1 13 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.500 -4.372 19954 8312 1 13 . 1 1 47 47 ILE H H 47 9.378 9.378 8.175 1.203 19954 8313 1 13 . 1 1 48 48 SER N N 48 113.001 113.001 115.564 -2.563 19954 8314 1 13 . 1 1 48 48 SER HA H 48 4.016 4.016 4.127 -0.111 19954 8315 1 13 . 1 1 48 48 SER CA C 48 59.574 59.574 62.075 -2.501 19954 8316 1 13 . 1 1 48 48 SER CB C 48 60.341 60.341 63.222 -2.881 19954 8317 1 13 . 1 1 48 48 SER H H 48 7.382 7.382 8.640 -1.258 19954 8318 1 13 . 1 1 49 49 LEU N N 49 120.059 120.059 123.206 -3.147 19954 8319 1 13 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.154 0.016 19954 8320 1 13 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.477 -2.811 19954 8321 1 13 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.074 -2.324 19954 8322 1 13 . 1 1 49 49 LEU H H 49 7.477 7.477 8.278 -0.801 19954 8323 1 13 . 1 1 50 50 ILE N N 50 115.429 115.429 117.536 -2.107 19954 8324 1 13 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.557 0.536 19954 8325 1 13 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.072 -2.268 19954 8326 1 13 . 1 1 50 50 ILE H H 50 8.081 8.081 7.936 0.145 19954 8327 1 13 . 1 1 51 51 ILE N N 51 125.106 125.106 122.261 2.845 19954 8328 1 13 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.572 -0.117 19954 8329 1 13 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.169 -2.021 19954 8330 1 13 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.662 -1.943 19954 8331 1 13 . 1 1 51 51 ILE H H 51 8.194 8.194 8.122 0.072 19954 8332 1 13 . 1 1 52 52 ASP N N 52 119.519 119.519 119.225 0.294 19954 8333 1 13 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.289 -0.045 19954 8334 1 13 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.170 -3.186 19954 8335 1 13 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.934 -3.069 19954 8336 1 13 . 1 1 52 52 ASP H H 52 7.850 7.850 8.269 -0.419 19954 8337 1 13 . 1 1 53 53 TYR N N 53 118.402 118.402 120.030 -1.628 19954 8338 1 13 . 1 1 53 53 TYR HA H 53 3.892 3.892 3.995 -0.103 19954 8339 1 13 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.404 -1.659 19954 8340 1 13 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.526 -2.662 19954 8341 1 13 . 1 1 53 53 TYR H H 53 8.260 8.260 8.662 -0.402 19954 8342 1 13 . 1 1 54 54 SER N N 54 111.626 111.626 116.770 -5.144 19954 8343 1 13 . 1 1 54 54 SER HA H 54 4.058 4.058 4.100 -0.042 19954 8344 1 13 . 1 1 54 54 SER CA C 54 58.733 58.733 61.114 -2.381 19954 8345 1 13 . 1 1 54 54 SER CB C 54 62.430 62.430 63.802 -1.372 19954 8346 1 13 . 1 1 54 54 SER H H 54 7.316 7.316 8.016 -0.700 19954 8347 1 13 . 1 1 55 55 ARG N N 55 114.937 114.937 120.622 -5.685 19954 8348 1 13 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.459 0.713 19954 8349 1 13 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.715 -1.442 19954 8350 1 13 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.536 -1.286 19954 8351 1 13 . 1 1 55 55 ARG H H 55 7.901 7.901 7.510 0.391 19954 8352 1 13 . 1 1 56 56 LEU N N 56 116.307 116.307 118.554 -2.247 19954 8353 1 13 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.969 0.234 19954 8354 1 13 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.511 -3.711 19954 8355 1 13 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.006 -1.138 19954 8356 1 13 . 1 1 56 56 LEU H H 56 7.802 7.802 7.754 0.048 19954 8357 1 13 . 1 1 57 57 CYS N N 57 119.062 119.062 117.413 1.649 19954 8358 1 13 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.195 0.045 19954 8359 1 13 . 1 1 57 57 CYS CA C 57 53.750 53.750 58.286 -4.536 19954 8360 1 13 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.658 -4.582 19954 8361 1 13 . 1 1 57 57 CYS H H 57 7.717 7.717 7.388 0.329 19954 8362 1 13 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.491 -0.146 19954 8363 1 13 . 1 1 58 58 PRO CA C 58 60.482 60.482 63.011 -2.529 19954 8364 1 13 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.584 -2.424 19954 8365 1 13 . 1 1 59 59 ASP N N 59 123.671 123.671 118.748 4.923 19954 8366 1 13 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.148 -0.231 19954 8367 1 13 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.608 -2.794 19954 8368 1 13 . 1 1 59 59 ASP CB C 59 36.924 36.924 40.531 -3.607 19954 8369 1 13 . 1 1 59 59 ASP H H 59 8.696 8.696 8.628 0.068 19954 8370 1 13 . 1 1 60 60 SER N N 60 110.600 110.600 113.449 -2.849 19954 8371 1 13 . 1 1 60 60 SER HA H 60 4.103 4.103 4.010 0.093 19954 8372 1 13 . 1 1 60 60 SER CA C 60 57.379 57.379 61.281 -3.902 19954 8373 1 13 . 1 1 60 60 SER CB C 60 61.562 61.562 62.758 -1.196 19954 8374 1 13 . 1 1 60 60 SER H H 60 8.119 8.119 8.454 -0.335 19954 8375 1 13 . 1 1 61 61 HIS N N 61 122.391 122.391 118.910 3.481 19954 8376 1 13 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.139 0.494 19954 8377 1 13 . 1 1 61 61 HIS CA C 61 54.714 54.714 59.361 -4.647 19954 8378 1 13 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.428 0.514 19954 8379 1 13 . 1 1 61 61 HIS H H 61 8.123 8.123 8.473 -0.350 19954 8380 1 13 . 1 1 62 62 LYS N N 62 121.665 121.665 119.331 2.334 19954 8381 1 13 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.367 0.328 19954 8382 1 13 . 1 1 62 62 LYS CA C 62 55.760 55.760 58.785 -3.025 19954 8383 1 13 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.599 -1.303 19954 8384 1 13 . 1 1 62 62 LYS H H 62 7.512 7.512 6.917 0.595 19954 8385 1 13 . 1 1 63 63 LEU N N 63 117.792 117.792 119.578 -1.786 19954 8386 1 13 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.687 -0.229 19954 8387 1 13 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.181 -0.556 19954 8388 1 13 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.080 -3.031 19954 8389 1 13 . 1 1 63 63 LEU H H 63 8.136 8.136 7.142 0.994 19954 8390 1 13 . 1 1 64 64 GLY N N 64 105.340 105.340 105.460 -0.120 19954 8391 1 13 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.640 -2.093 19954 8392 1 13 . 1 1 64 64 GLY H H 64 8.616 8.616 8.467 0.149 19954 8393 1 13 . 1 1 65 65 SER N N 65 117.745 117.745 118.449 -0.704 19954 8394 1 13 . 1 1 65 65 SER HA H 65 4.265 4.265 4.104 0.161 19954 8395 1 13 . 1 1 65 65 SER CA C 65 58.998 58.998 61.414 -2.416 19954 8396 1 13 . 1 1 65 65 SER CB C 65 67.350 67.350 62.676 4.674 19954 8397 1 13 . 1 1 65 65 SER H H 65 7.894 7.894 7.777 0.117 19954 8398 1 13 . 1 1 66 66 LEU N N 66 124.161 124.161 122.280 1.881 19954 8399 1 13 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.966 0.335 19954 8400 1 13 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.031 -3.976 19954 8401 1 13 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.498 -3.391 19954 8402 1 13 . 1 1 66 66 LEU H H 66 7.407 7.407 7.555 -0.148 19954 8403 1 13 . 1 1 67 67 TYR N N 67 121.466 121.466 117.408 4.058 19954 8404 1 13 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.263 0.281 19954 8405 1 13 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.412 -6.973 19954 8406 1 13 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.310 -3.129 19954 8407 1 13 . 1 1 67 67 TYR H H 67 8.001 8.001 7.486 0.515 19954 8408 1 13 . 1 1 68 68 ILE N N 68 121.357 121.357 120.675 0.682 19954 8409 1 13 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.667 -0.432 19954 8410 1 13 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.145 -1.763 19954 8411 1 13 . 1 1 68 68 ILE CB C 68 36.080 36.080 38.009 -1.929 19954 8412 1 13 . 1 1 68 68 ILE H H 68 7.811 7.811 7.765 0.046 19954 8413 1 13 . 1 1 69 69 ILE N N 69 117.955 117.955 119.522 -1.567 19954 8414 1 13 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.544 -0.195 19954 8415 1 13 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.633 -2.220 19954 8416 1 13 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.476 -1.557 19954 8417 1 13 . 1 1 69 69 ILE H H 69 6.886 6.886 8.547 -1.661 19954 8418 1 13 . 1 1 70 70 ASP N N 70 118.932 118.932 120.405 -1.473 19954 8419 1 13 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.114 0.282 19954 8420 1 13 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.878 -1.843 19954 8421 1 13 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.062 0.527 19954 8422 1 13 . 1 1 70 70 ASP H H 70 9.100 9.100 8.355 0.745 19954 8423 1 13 . 1 1 71 71 SER N N 71 110.354 110.354 116.374 -6.020 19954 8424 1 13 . 1 1 71 71 SER HA H 71 4.104 4.104 4.134 -0.030 19954 8425 1 13 . 1 1 71 71 SER CA C 71 58.746 58.746 62.581 -3.835 19954 8426 1 13 . 1 1 71 71 SER CB C 71 61.136 61.136 63.245 -2.109 19954 8427 1 13 . 1 1 71 71 SER H H 71 7.938 7.938 7.884 0.054 19954 8428 1 13 . 1 1 72 72 ILE N N 72 117.565 117.565 121.300 -3.735 19954 8429 1 13 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.580 -0.315 19954 8430 1 13 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.043 -1.395 19954 8431 1 13 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.474 -1.710 19954 8432 1 13 . 1 1 72 72 ILE H H 72 7.912 7.912 7.773 0.139 19954 8433 1 13 . 1 1 73 73 GLY N N 73 107.350 107.350 107.358 -0.008 19954 8434 1 13 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.043 -2.296 19954 8435 1 13 . 1 1 73 73 GLY H H 73 8.847 8.847 8.470 0.377 19954 8436 1 13 . 1 1 74 74 ARG N N 74 118.068 118.068 123.079 -5.011 19954 8437 1 13 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.874 0.076 19954 8438 1 13 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.658 -0.486 19954 8439 1 13 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.146 -2.474 19954 8440 1 13 . 1 1 74 74 ARG H H 74 8.705 8.705 8.256 0.449 19954 8441 1 13 . 1 1 75 75 ALA N N 75 123.817 123.817 121.652 2.165 19954 8442 1 13 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.001 0.215 19954 8443 1 13 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.346 -2.484 19954 8444 1 13 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.498 -3.097 19954 8445 1 13 . 1 1 75 75 ALA H H 75 7.673 7.673 7.904 -0.231 19954 8446 1 13 . 1 1 76 76 TYR N N 76 119.918 119.918 119.554 0.364 19954 8447 1 13 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.237 0.300 19954 8448 1 13 . 1 1 76 76 TYR CA C 76 55.093 55.093 59.828 -4.735 19954 8449 1 13 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.480 -3.677 19954 8450 1 13 . 1 1 76 76 TYR H H 76 8.659 8.659 8.568 0.091 19954 8451 1 13 . 1 1 77 77 LEU N N 77 123.387 123.387 120.034 3.353 19954 8452 1 13 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.774 0.040 19954 8453 1 13 . 1 1 77 77 LEU CA C 77 55.175 55.175 57.874 -2.699 19954 8454 1 13 . 1 1 77 77 LEU CB C 77 39.874 39.874 40.751 -0.877 19954 8455 1 13 . 1 1 77 77 LEU H H 77 8.756 8.756 8.572 0.184 19954 8456 1 13 . 1 1 78 78 ASP N N 78 120.181 120.181 118.499 1.682 19954 8457 1 13 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.243 0.052 19954 8458 1 13 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.581 -2.778 19954 8459 1 13 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.685 -2.862 19954 8460 1 13 . 1 1 78 78 ASP H H 78 7.891 7.891 8.065 -0.174 19954 8461 1 13 . 1 1 79 79 GLU N N 79 120.503 120.503 118.477 2.026 19954 8462 1 13 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.018 -0.000 19954 8463 1 13 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.074 -2.600 19954 8464 1 13 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.284 -2.080 19954 8465 1 13 . 1 1 79 79 GLU H H 79 7.502 7.502 8.315 -0.813 19954 8466 1 13 . 1 1 80 80 THR N N 80 111.013 111.013 115.574 -4.561 19954 8467 1 13 . 1 1 80 80 THR HA H 80 4.151 4.151 3.966 0.185 19954 8468 1 13 . 1 1 80 80 THR CA C 80 61.984 61.984 65.271 -3.287 19954 8469 1 13 . 1 1 80 80 THR CB C 80 67.420 67.420 68.537 -1.117 19954 8470 1 13 . 1 1 80 80 THR H H 80 7.883 7.883 8.012 -0.129 19954 8471 1 13 . 1 1 81 81 ARG N N 81 120.172 120.172 121.612 -1.440 19954 8472 1 13 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.208 -0.129 19954 8473 1 13 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.811 -3.674 19954 8474 1 13 . 1 1 81 81 ARG H H 81 7.471 7.471 8.448 -0.977 19954 8475 1 13 . 1 1 82 82 SER N N 82 113.571 113.571 112.752 0.819 19954 8476 1 13 . 1 1 82 82 SER HA H 82 4.329 4.329 4.254 0.075 19954 8477 1 13 . 1 1 82 82 SER CA C 82 56.193 56.193 60.644 -4.451 19954 8478 1 13 . 1 1 82 82 SER CB C 82 72.312 72.312 63.403 8.909 19954 8479 1 13 . 1 1 82 82 SER H H 82 7.744 7.744 7.909 -0.165 19954 8480 1 13 . 1 1 83 83 ASN N N 83 119.990 119.990 116.819 3.171 19954 8481 1 13 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.842 -0.100 19954 8482 1 13 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.460 -3.297 19954 8483 1 13 . 1 1 83 83 ASN H H 83 7.792 7.792 7.751 0.041 19954 8484 1 13 . 1 1 84 84 SER N N 84 116.799 116.799 114.274 2.525 19954 8485 1 13 . 1 1 84 84 SER HA H 84 4.291 4.291 4.514 -0.223 19954 8486 1 13 . 1 1 84 84 SER CA C 84 56.325 56.325 58.209 -1.884 19954 8487 1 13 . 1 1 84 84 SER H H 84 8.352 8.352 8.152 0.200 19954 8488 1 13 . 1 1 85 85 ASN N N 85 120.087 120.087 124.667 -4.580 19954 8489 1 13 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.984 -0.317 19954 8490 1 13 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.177 -1.369 19954 8491 1 13 . 1 1 85 85 ASN H H 85 8.362 8.362 8.470 -0.108 19954 8492 1 13 . 1 1 86 86 SER N N 86 116.068 116.068 119.956 -3.888 19954 8493 1 13 . 1 1 86 86 SER HA H 86 4.362 4.362 4.694 -0.332 19954 8494 1 13 . 1 1 86 86 SER CA C 86 55.853 55.853 57.967 -2.114 19954 8495 1 13 . 1 1 86 86 SER H H 86 8.102 8.102 8.125 -0.023 19954 8496 1 13 . 1 1 87 87 SER N N 87 117.615 117.615 118.912 -1.297 19954 8497 1 13 . 1 1 87 87 SER HA H 87 4.302 4.302 4.827 -0.525 19954 8498 1 13 . 1 1 87 87 SER CA C 87 55.608 55.608 58.591 -2.983 19954 8499 1 13 . 1 1 87 87 SER H H 87 8.269 8.269 8.602 -0.333 19954 8500 1 13 . 1 1 88 88 SER N N 88 122.455 122.455 118.804 3.651 19954 8501 1 13 . 1 1 88 88 SER CA C 88 53.710 53.710 59.160 -5.450 19954 8502 1 13 . 1 1 88 88 SER H H 88 8.377 8.377 8.609 -0.232 19954 8503 1 13 . 1 1 89 89 ASN N N 89 115.430 115.430 118.432 -3.002 19954 8504 1 13 . 1 1 89 89 ASN CA C 89 58.900 58.900 52.971 5.929 19954 8505 1 13 . 1 1 89 89 ASN H H 89 8.141 8.141 7.874 0.267 19954 8506 1 13 . 1 1 90 90 LYS N N 90 128.071 128.071 118.991 9.080 19954 8507 1 13 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.081 -0.700 19954 8508 1 13 . 1 1 90 90 LYS H H 90 7.961 7.961 8.457 -0.496 19954 8509 1 13 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.356 -0.951 19954 8510 1 13 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.698 -2.077 19954 8511 1 13 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.618 -3.925 19954 8512 1 13 . 1 1 92 92 GLY N N 92 112.403 112.403 105.132 7.271 19954 8513 1 13 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.350 -3.045 19954 8514 1 13 . 1 1 92 92 GLY H H 92 10.139 10.139 8.567 1.572 19954 8515 1 13 . 1 1 93 93 THR N N 93 106.254 106.254 111.378 -5.124 19954 8516 1 13 . 1 1 93 93 THR HA H 93 4.527 4.527 5.108 -0.581 19954 8517 1 13 . 1 1 93 93 THR CA C 93 56.663 56.663 59.977 -3.314 19954 8518 1 13 . 1 1 93 93 THR CB C 93 70.927 70.927 70.685 0.242 19954 8519 1 13 . 1 1 93 93 THR H H 93 7.180 7.180 7.319 -0.139 19954 8520 1 13 . 1 1 94 94 CYS N N 94 121.465 121.465 119.766 1.699 19954 8521 1 13 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.867 -0.417 19954 8522 1 13 . 1 1 94 94 CYS CA C 94 60.867 60.867 63.851 -2.984 19954 8523 1 13 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.120 -1.874 19954 8524 1 13 . 1 1 94 94 CYS H H 94 8.777 8.777 8.540 0.237 19954 8525 1 13 . 1 1 95 95 ALA N N 95 119.619 119.619 123.426 -3.807 19954 8526 1 13 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.805 0.037 19954 8527 1 13 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.530 -2.785 19954 8528 1 13 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.856 -2.152 19954 8529 1 13 . 1 1 95 95 ALA H H 95 8.392 8.392 8.323 0.069 19954 8530 1 13 . 1 1 96 96 HIS N N 96 118.081 118.081 119.125 -1.044 19954 8531 1 13 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.253 -0.047 19954 8532 1 13 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.635 -1.944 19954 8533 1 13 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.483 -2.400 19954 8534 1 13 . 1 1 96 96 HIS H H 96 7.631 7.631 8.579 -0.948 19954 8535 1 13 . 1 1 97 97 ALA N N 97 123.652 123.652 122.940 0.712 19954 8536 1 13 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.244 -0.303 19954 8537 1 13 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.354 -2.196 19954 8538 1 13 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.555 -0.891 19954 8539 1 13 . 1 1 97 97 ALA H H 97 7.347 7.347 7.912 -0.565 19954 8540 1 13 . 1 1 98 98 ILE N N 98 115.278 115.278 118.843 -3.565 19954 8541 1 13 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.544 -0.020 19954 8542 1 13 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.239 -3.256 19954 8543 1 13 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.488 -1.821 19954 8544 1 13 . 1 1 98 98 ILE H H 98 7.916 7.916 8.687 -0.771 19954 8545 1 13 . 1 1 99 99 ASN N N 99 120.684 120.684 118.126 2.558 19954 8546 1 13 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.491 -0.087 19954 8547 1 13 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.703 -2.564 19954 8548 1 13 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.338 -2.093 19954 8549 1 13 . 1 1 99 99 ASN H H 99 7.978 7.978 7.974 0.004 19954 8550 1 13 . 1 1 100 100 THR N N 100 117.791 117.791 116.975 0.816 19954 8551 1 13 . 1 1 100 100 THR HA H 100 3.630 3.630 3.964 -0.334 19954 8552 1 13 . 1 1 100 100 THR CA C 100 63.899 63.899 66.213 -2.314 19954 8553 1 13 . 1 1 100 100 THR CB C 100 66.038 66.038 68.738 -2.700 19954 8554 1 13 . 1 1 100 100 THR H H 100 8.295 8.295 8.184 0.111 19954 8555 1 13 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.946 -0.228 19954 8556 1 13 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.127 -3.702 19954 8557 1 13 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.738 -0.550 19954 8558 1 13 . 1 1 101 101 LEU H H 101 7.825 7.825 8.576 -0.751 19954 8559 1 13 . 1 1 102 102 GLY N N 102 105.767 105.767 103.805 1.962 19954 8560 1 13 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.623 -1.282 19954 8561 1 13 . 1 1 102 102 GLY H H 102 8.591 8.591 8.421 0.170 19954 8562 1 13 . 1 1 103 103 GLU N N 103 116.366 116.366 120.144 -3.778 19954 8563 1 13 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.259 -0.192 19954 8564 1 13 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.989 -2.543 19954 8565 1 13 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.108 -2.731 19954 8566 1 13 . 1 1 103 103 GLU H H 103 7.471 7.471 7.898 -0.427 19954 8567 1 13 . 1 1 104 104 VAL N N 104 108.377 108.377 113.550 -5.173 19954 8568 1 13 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.317 0.439 19954 8569 1 13 . 1 1 104 104 VAL CA C 104 57.855 57.855 63.318 -5.463 19954 8570 1 13 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.576 -2.698 19954 8571 1 13 . 1 1 104 104 VAL H H 104 7.016 7.016 7.826 -0.810 19954 8572 1 13 . 1 1 105 105 ILE N N 105 123.784 123.784 122.551 1.233 19954 8573 1 13 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.586 0.168 19954 8574 1 13 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.742 -6.341 19954 8575 1 13 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.754 -2.343 19954 8576 1 13 . 1 1 105 105 ILE H H 105 7.197 7.197 8.749 -1.552 19954 8577 1 13 . 1 1 106 106 GLN N N 106 121.117 121.117 118.371 2.746 19954 8578 1 13 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.795 -0.140 19954 8579 1 13 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.142 -0.808 19954 8580 1 13 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.280 -0.388 19954 8581 1 13 . 1 1 106 106 GLN H H 106 8.549 8.549 8.596 -0.047 19954 8582 1 13 . 1 1 107 107 GLU N N 107 122.716 122.716 121.389 1.327 19954 8583 1 13 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.087 -0.250 19954 8584 1 13 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.637 -2.049 19954 8585 1 13 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.984 -2.450 19954 8586 1 13 . 1 1 107 107 GLU H H 107 7.762 7.762 7.906 -0.144 19954 8587 1 13 . 1 1 108 108 LEU N N 108 116.615 116.615 121.418 -4.803 19954 8588 1 13 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.076 -0.097 19954 8589 1 13 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.790 -2.996 19954 8590 1 13 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.622 -3.125 19954 8591 1 13 . 1 1 108 108 LEU H H 108 8.016 8.016 7.378 0.638 19954 8592 1 13 . 1 1 109 109 LEU N N 109 118.708 118.708 119.133 -0.425 19954 8593 1 13 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.793 0.047 19954 8594 1 13 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.821 -3.095 19954 8595 1 13 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.674 -0.352 19954 8596 1 13 . 1 1 109 109 LEU H H 109 8.801 8.801 8.530 0.271 19954 8597 1 13 . 1 1 110 110 SER N N 110 114.083 114.083 114.516 -0.433 19954 8598 1 13 . 1 1 110 110 SER HA H 110 3.848 3.848 4.048 -0.200 19954 8599 1 13 . 1 1 110 110 SER CA C 110 60.127 60.127 61.806 -1.679 19954 8600 1 13 . 1 1 110 110 SER CB C 110 60.300 60.300 62.644 -2.344 19954 8601 1 13 . 1 1 110 110 SER H H 110 8.161 8.161 8.365 -0.204 19954 8602 1 13 . 1 1 111 111 ASP N N 111 120.151 120.151 122.685 -2.534 19954 8603 1 13 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.260 0.082 19954 8604 1 13 . 1 1 111 111 ASP CA C 111 54.767 54.767 56.886 -2.119 19954 8605 1 13 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.397 -0.653 19954 8606 1 13 . 1 1 111 111 ASP H H 111 7.614 7.614 7.946 -0.332 19954 8607 1 13 . 1 1 112 112 ALA N N 112 116.927 116.927 122.756 -5.829 19954 8608 1 13 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.817 -0.228 19954 8609 1 13 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.314 -2.591 19954 8610 1 13 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.406 -0.759 19954 8611 1 13 . 1 1 112 112 ALA H H 112 7.662 7.662 7.980 -0.318 19954 8612 1 13 . 1 1 113 113 ILE N N 113 119.039 119.039 119.197 -0.158 19954 8613 1 13 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.681 -0.454 19954 8614 1 13 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.794 -1.114 19954 8615 1 13 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.293 -1.134 19954 8616 1 13 . 1 1 113 113 ILE H H 113 8.681 8.681 8.415 0.266 19954 8617 1 13 . 1 1 114 114 ALA N N 114 120.055 120.055 124.038 -3.983 19954 8618 1 13 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.960 -0.053 19954 8619 1 13 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.876 -2.288 19954 8620 1 13 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.142 -2.011 19954 8621 1 13 . 1 1 114 114 ALA H H 114 7.716 7.716 8.201 -0.485 19954 8622 1 13 . 1 1 115 115 LYS N N 115 113.845 113.845 118.108 -4.263 19954 8623 1 13 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.053 0.030 19954 8624 1 13 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.660 -3.705 19954 8625 1 13 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.368 -0.735 19954 8626 1 13 . 1 1 115 115 LYS H H 115 7.248 7.248 8.259 -1.011 19954 8627 1 13 . 1 1 116 116 SER N N 116 115.794 115.794 113.641 2.153 19954 8628 1 13 . 1 1 116 116 SER HA H 116 4.503 4.503 4.229 0.274 19954 8629 1 13 . 1 1 116 116 SER CA C 116 57.848 57.848 59.467 -1.619 19954 8630 1 13 . 1 1 116 116 SER CB C 116 63.380 63.380 63.602 -0.222 19954 8631 1 13 . 1 1 116 116 SER H H 116 7.124 7.124 8.079 -0.955 19954 8632 1 13 . 1 1 117 117 ASN N N 117 119.747 119.747 120.514 -0.767 19954 8633 1 13 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.696 -0.174 19954 8634 1 13 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.587 -2.245 19954 8635 1 13 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.640 -4.358 19954 8636 1 13 . 1 1 117 117 ASN H H 117 8.457 8.457 8.309 0.148 19954 8637 1 13 . 1 1 118 118 GLN N N 118 117.591 117.591 120.708 -3.117 19954 8638 1 13 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.868 -0.091 19954 8639 1 13 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.178 -2.994 19954 8640 1 13 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.550 2.991 19954 8641 1 13 . 1 1 118 118 GLN H H 118 8.418 8.418 8.648 -0.230 19954 8642 1 13 . 1 1 119 119 ASP N N 119 119.281 119.281 117.713 1.568 19954 8643 1 13 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.635 -0.345 19954 8644 1 13 . 1 1 119 119 ASP CA C 119 54.593 54.593 58.421 -3.828 19954 8645 1 13 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.390 -1.487 19954 8646 1 13 . 1 1 119 119 ASP H H 119 7.973 7.973 8.649 -0.676 19954 8647 1 13 . 1 1 120 120 HIS N N 120 118.871 118.871 117.988 0.883 19954 8648 1 13 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.039 0.301 19954 8649 1 13 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.636 -2.878 19954 8650 1 13 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.573 -1.845 19954 8651 1 13 . 1 1 120 120 HIS H H 120 8.702 8.702 8.303 0.399 19954 8652 1 13 . 1 1 121 121 LYS N N 121 120.739 120.739 118.893 1.846 19954 8653 1 13 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.937 -0.169 19954 8654 1 13 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.334 0.351 19954 8655 1 13 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.619 -0.695 19954 8656 1 13 . 1 1 121 121 LYS H H 121 8.990 8.990 8.872 0.118 19954 8657 1 13 . 1 1 122 122 GLU N N 122 117.889 117.889 119.660 -1.771 19954 8658 1 13 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.061 0.001 19954 8659 1 13 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.520 -3.416 19954 8660 1 13 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.202 -2.511 19954 8661 1 13 . 1 1 122 122 GLU H H 122 7.615 7.615 8.143 -0.528 19954 8662 1 13 . 1 1 123 123 LYS N N 123 119.139 119.139 119.070 0.069 19954 8663 1 13 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.131 -0.172 19954 8664 1 13 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.801 -2.200 19954 8665 1 13 . 1 1 123 123 LYS CB C 123 30.223 30.223 32.041 -1.818 19954 8666 1 13 . 1 1 123 123 LYS H H 123 7.550 7.550 7.690 -0.140 19954 8667 1 13 . 1 1 124 124 ILE N N 124 123.103 123.103 119.934 3.169 19954 8668 1 13 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.445 -0.219 19954 8669 1 13 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.649 -1.965 19954 8670 1 13 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.490 -2.747 19954 8671 1 13 . 1 1 124 124 ILE H H 124 8.356 8.356 7.775 0.581 19954 8672 1 13 . 1 1 125 125 ARG N N 125 122.162 122.162 119.837 2.325 19954 8673 1 13 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.828 -0.722 19954 8674 1 13 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.439 -1.415 19954 8675 1 13 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.030 1.941 19954 8676 1 13 . 1 1 125 125 ARG H H 125 7.988 7.988 7.940 0.048 19954 8677 1 13 . 1 1 126 126 MET N N 126 115.215 115.215 118.872 -3.657 19954 8678 1 13 . 1 1 126 126 MET HA H 126 3.973 3.973 4.118 -0.145 19954 8679 1 13 . 1 1 126 126 MET CA C 126 55.896 55.896 58.944 -3.047 19954 8680 1 13 . 1 1 126 126 MET CB C 126 29.856 29.856 32.421 -2.565 19954 8681 1 13 . 1 1 126 126 MET H H 126 7.455 7.455 7.816 -0.361 19954 8682 1 13 . 1 1 127 127 LEU N N 127 122.351 122.351 120.508 1.843 19954 8683 1 13 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.846 -0.294 19954 8684 1 13 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.980 -3.192 19954 8685 1 13 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.390 -2.112 19954 8686 1 13 . 1 1 127 127 LEU H H 127 7.479 7.479 7.807 -0.328 19954 8687 1 13 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.357 0.526 19954 8688 1 13 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.376 -3.029 19954 8689 1 13 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.325 -2.516 19954 8690 1 13 . 1 1 128 128 LEU H H 128 7.841 7.841 7.890 -0.049 19954 8691 1 13 . 1 1 129 129 ASP N N 129 116.915 116.915 119.824 -2.909 19954 8692 1 13 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.298 0.089 19954 8693 1 13 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.838 -5.239 19954 8694 1 13 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.922 -3.056 19954 8695 1 13 . 1 1 129 129 ASP H H 129 7.034 7.034 7.695 -0.661 19954 8696 1 13 . 1 1 130 130 ILE N N 130 124.155 124.155 120.141 4.014 19954 8697 1 13 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.717 -0.074 19954 8698 1 13 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.241 -1.865 19954 8699 1 13 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.853 -3.069 19954 8700 1 13 . 1 1 130 130 ILE H H 130 7.671 7.671 7.795 -0.124 19954 8701 1 13 . 1 1 131 131 TRP N N 131 125.421 125.421 120.384 5.037 19954 8702 1 13 . 1 1 131 131 TRP H H 131 8.831 8.831 8.157 0.674 19954 8703 1 13 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.193 3.246 19954 8704 1 13 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.087 0.396 19954 8705 1 13 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.856 -5.119 19954 8706 1 13 . 1 1 144 144 ALA N N 144 121.013 121.013 121.836 -0.823 19954 8707 1 13 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.856 0.248 19954 8708 1 13 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.676 -1.998 19954 8709 1 13 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.319 -2.943 19954 8710 1 13 . 1 1 144 144 ALA H H 144 8.212 8.212 8.084 0.128 19954 8711 1 13 . 1 1 145 145 ILE N N 145 117.646 117.646 115.196 2.450 19954 8712 1 13 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.154 0.674 19954 8713 1 13 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.563 -4.219 19954 8714 1 13 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.346 0.796 19954 8715 1 13 . 1 1 145 145 ILE H H 145 7.183 7.183 7.557 -0.374 19954 8716 1 13 . 1 1 146 146 ARG N N 146 121.150 121.150 120.944 0.206 19954 8717 1 13 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.769 0.133 19954 8718 1 13 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.700 -0.235 19954 8719 1 13 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.966 -2.183 19954 8720 1 13 . 1 1 146 146 ARG H H 146 8.477 8.477 8.076 0.401 19954 8721 1 13 . 1 1 147 147 SER N N 147 111.836 111.836 114.792 -2.956 19954 8722 1 13 . 1 1 147 147 SER HA H 147 4.162 4.162 4.316 -0.153 19954 8723 1 13 . 1 1 147 147 SER CA C 147 58.642 58.642 58.450 0.192 19954 8724 1 13 . 1 1 147 147 SER CB C 147 60.972 60.972 62.998 -2.026 19954 8725 1 13 . 1 1 147 147 SER H H 147 8.187 8.187 7.477 0.710 19954 8726 1 13 . 1 1 148 148 LYS N N 148 118.675 118.675 128.370 -9.695 19954 8727 1 13 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.941 0.197 19954 8728 1 13 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.309 -3.292 19954 8729 1 13 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.921 -0.141 19954 8730 1 13 . 1 1 148 148 LYS H H 148 7.837 7.837 8.634 -0.797 19954 8731 1 13 . 1 1 149 149 CYS N N 149 113.256 113.256 117.770 -4.514 19954 8732 1 13 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.190 0.402 19954 8733 1 13 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.315 -10.303 19954 8734 1 13 . 1 1 149 149 CYS H H 149 8.267 8.267 8.003 0.264 19954 8735 1 13 . 1 1 150 150 PHE N N 150 116.623 116.623 121.100 -4.477 19954 8736 1 13 . 1 1 150 150 PHE HA H 150 4.944 4.944 3.985 0.959 19954 8737 1 13 . 1 1 150 150 PHE CA C 150 54.409 54.409 62.040 -7.631 19954 8738 1 13 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.540 -0.487 19954 8739 1 13 . 1 1 150 150 PHE H H 150 7.373 7.373 8.919 -1.546 19954 8740 1 13 . 1 1 151 151 ALA N N 151 122.583 122.583 120.738 1.845 19954 8741 1 13 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.802 0.377 19954 8742 1 13 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.041 -4.400 19954 8743 1 13 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.378 -2.439 19954 8744 1 13 . 1 1 151 151 ALA H H 151 7.710 7.710 8.605 -0.895 19954 8745 1 13 . 1 1 152 152 MET N N 152 118.250 118.250 116.906 1.344 19954 8746 1 13 . 1 1 152 152 MET HA H 152 4.262 4.262 4.003 0.259 19954 8747 1 13 . 1 1 152 152 MET CA C 152 53.482 53.482 59.400 -5.918 19954 8748 1 13 . 1 1 152 152 MET CB C 152 30.488 30.488 32.583 -2.095 19954 8749 1 13 . 1 1 152 152 MET H H 152 8.086 8.086 7.918 0.168 19954 8750 1 13 . 1 1 153 153 ASP N N 153 121.780 121.780 118.929 2.851 19954 8751 1 13 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.494 -0.016 19954 8752 1 13 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.642 -5.016 19954 8753 1 13 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.700 -3.240 19954 8754 1 13 . 1 1 153 153 ASP H H 153 8.299 8.299 7.916 0.383 19954 8755 1 13 . 1 1 154 154 LEU N N 154 122.337 122.337 119.302 3.035 19954 8756 1 13 . 1 1 154 154 LEU HA H 154 4.108 4.108 3.884 0.224 19954 8757 1 13 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.639 -4.786 19954 8758 1 13 . 1 1 154 154 LEU CB C 154 39.716 39.716 42.098 -2.382 19954 8759 1 13 . 1 1 154 154 LEU H H 154 8.072 8.072 8.137 -0.065 19954 8760 1 13 . 1 1 155 155 GLU N N 155 119.995 119.995 114.536 5.459 19954 8761 1 13 . 1 1 155 155 GLU HA H 155 3.995 3.995 3.547 0.448 19954 8762 1 13 . 1 1 155 155 GLU CA C 155 54.299 54.299 55.207 -0.908 19954 8763 1 13 . 1 1 155 155 GLU CB C 155 27.634 27.634 28.225 -0.591 19954 8764 1 13 . 1 1 155 155 GLU H H 155 8.151 8.151 7.502 0.649 19954 8765 1 13 . 1 1 156 156 HIS N N 156 118.980 118.980 119.164 -0.184 19954 8766 1 13 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.114 0.106 19954 8767 1 13 . 1 1 156 156 HIS CA C 156 53.443 53.443 57.654 -4.211 19954 8768 1 13 . 1 1 156 156 HIS H H 156 8.007 8.007 7.835 0.172 19954 8769 1 13 . 1 1 157 157 HIS N N 157 121.956 121.956 117.345 4.611 19954 8770 1 13 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.496 -0.085 19954 8771 1 13 . 1 1 157 157 HIS CA C 157 53.252 53.252 55.187 -1.935 19954 8772 1 13 . 1 1 157 157 HIS H H 157 8.580 8.580 7.619 0.961 19954 8773 1 13 . 1 1 158 158 HIS N N 158 125.474 125.474 115.723 9.751 19954 8774 1 13 . 1 1 158 158 HIS CA C 158 54.628 54.628 57.053 -2.425 19954 8775 1 13 . 1 1 158 158 HIS H H 158 7.906 7.906 8.412 -0.506 19954 8776 1 14 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.435 -0.120 19954 8777 1 14 . 1 1 4 4 ASP CA C 4 51.714 51.714 56.270 -4.556 19954 8778 1 14 . 1 1 5 5 ASP N N 5 120.880 120.880 116.696 4.184 19954 8779 1 14 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.746 -0.292 19954 8780 1 14 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.096 -0.521 19954 8781 1 14 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.213 -2.489 19954 8782 1 14 . 1 1 5 5 ASP H H 5 8.277 8.277 7.946 0.331 19954 8783 1 14 . 1 1 6 6 ASP N N 6 120.876 120.876 121.225 -0.349 19954 8784 1 14 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.666 -0.184 19954 8785 1 14 . 1 1 6 6 ASP CA C 6 52.962 52.962 52.645 0.317 19954 8786 1 14 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.748 -4.190 19954 8787 1 14 . 1 1 6 6 ASP H H 6 8.497 8.497 7.560 0.937 19954 8788 1 14 . 1 1 7 7 PHE N N 7 122.789 122.789 120.384 2.405 19954 8789 1 14 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.213 -0.104 19954 8790 1 14 . 1 1 7 7 PHE CA C 7 58.870 58.870 61.462 -2.591 19954 8791 1 14 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.430 -2.763 19954 8792 1 14 . 1 1 7 7 PHE H H 7 8.337 8.337 8.903 -0.566 19954 8793 1 14 . 1 1 8 8 GLN N N 8 116.255 116.255 119.442 -3.187 19954 8794 1 14 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.786 -0.037 19954 8795 1 14 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.585 -3.859 19954 8796 1 14 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.022 -3.234 19954 8797 1 14 . 1 1 8 8 GLN H H 8 8.488 8.488 8.631 -0.143 19954 8798 1 14 . 1 1 9 9 ASN N N 9 118.242 118.242 117.961 0.281 19954 8799 1 14 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.300 0.014 19954 8800 1 14 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.295 -2.720 19954 8801 1 14 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.301 -2.048 19954 8802 1 14 . 1 1 9 9 ASN H H 9 7.801 7.801 7.729 0.072 19954 8803 1 14 . 1 1 10 10 PHE N N 10 124.982 124.982 121.258 3.724 19954 8804 1 14 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.697 -0.243 19954 8805 1 14 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.087 -2.092 19954 8806 1 14 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.289 -3.254 19954 8807 1 14 . 1 1 10 10 PHE H H 10 6.924 6.924 6.843 0.081 19954 8808 1 14 . 1 1 11 11 VAL N N 11 118.513 118.513 118.682 -0.169 19954 8809 1 14 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.086 -0.252 19954 8810 1 14 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.459 -2.228 19954 8811 1 14 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.438 -1.360 19954 8812 1 14 . 1 1 11 11 VAL H H 11 7.448 7.448 7.772 -0.324 19954 8813 1 14 . 1 1 12 12 ALA N N 12 119.214 119.214 120.856 -1.642 19954 8814 1 14 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.805 0.079 19954 8815 1 14 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.565 -3.139 19954 8816 1 14 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.947 -2.297 19954 8817 1 14 . 1 1 12 12 ALA H H 12 8.028 8.028 8.357 -0.329 19954 8818 1 14 . 1 1 13 13 THR N N 13 116.435 116.435 116.350 0.085 19954 8819 1 14 . 1 1 13 13 THR HA H 13 3.624 3.624 3.799 -0.175 19954 8820 1 14 . 1 1 13 13 THR CA C 13 64.041 64.041 66.398 -2.357 19954 8821 1 14 . 1 1 13 13 THR CB C 13 65.118 65.118 68.585 -3.467 19954 8822 1 14 . 1 1 13 13 THR H H 13 7.638 7.638 7.678 -0.040 19954 8823 1 14 . 1 1 14 14 LEU N N 14 126.284 126.284 121.844 4.440 19954 8824 1 14 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.691 -0.061 19954 8825 1 14 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.931 -2.444 19954 8826 1 14 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.277 -2.425 19954 8827 1 14 . 1 1 14 14 LEU H H 14 7.975 7.975 7.442 0.533 19954 8828 1 14 . 1 1 15 15 GLU N N 15 116.145 116.145 118.517 -2.372 19954 8829 1 14 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.851 -0.034 19954 8830 1 14 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.935 -3.541 19954 8831 1 14 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.112 -2.204 19954 8832 1 14 . 1 1 15 15 GLU H H 15 8.503 8.503 8.482 0.021 19954 8833 1 14 . 1 1 16 16 SER N N 16 114.452 114.452 113.818 0.634 19954 8834 1 14 . 1 1 16 16 SER HA H 16 4.196 4.196 4.168 0.028 19954 8835 1 14 . 1 1 16 16 SER CA C 16 58.515 58.515 60.863 -2.348 19954 8836 1 14 . 1 1 16 16 SER CB C 16 60.155 60.155 63.119 -2.964 19954 8837 1 14 . 1 1 16 16 SER H H 16 7.643 7.643 8.025 -0.382 19954 8838 1 14 . 1 1 17 17 PHE N N 17 124.020 124.020 121.640 2.380 19954 8839 1 14 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.105 -0.281 19954 8840 1 14 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.942 -1.607 19954 8841 1 14 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.982 -2.128 19954 8842 1 14 . 1 1 17 17 PHE H H 17 8.082 8.082 7.442 0.640 19954 8843 1 14 . 1 1 18 18 LYS N N 18 116.570 116.570 117.965 -1.395 19954 8844 1 14 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.064 -0.117 19954 8845 1 14 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.100 -2.245 19954 8846 1 14 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.732 -2.280 19954 8847 1 14 . 1 1 18 18 LYS H H 18 7.849 7.849 7.877 -0.028 19954 8848 1 14 . 1 1 19 19 ASP N N 19 116.332 116.332 119.169 -2.837 19954 8849 1 14 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.467 0.072 19954 8850 1 14 . 1 1 19 19 ASP CA C 19 52.157 52.157 56.072 -3.914 19954 8851 1 14 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.173 -2.470 19954 8852 1 14 . 1 1 19 19 ASP H H 19 7.276 7.276 7.647 -0.371 19954 8853 1 14 . 1 1 20 20 LEU N N 20 119.769 119.769 119.570 0.199 19954 8854 1 14 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.136 0.263 19954 8855 1 14 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.752 -4.753 19954 8856 1 14 . 1 1 20 20 LEU H H 20 7.226 7.226 7.668 -0.442 19954 8857 1 14 . 1 1 21 21 LYS N N 21 126.041 126.041 122.037 4.004 19954 8858 1 14 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.376 -0.313 19954 8859 1 14 . 1 1 21 21 LYS CA C 21 56.849 56.849 56.507 0.342 19954 8860 1 14 . 1 1 21 21 LYS CB C 21 31.634 31.634 31.567 0.067 19954 8861 1 14 . 1 1 21 21 LYS H H 21 9.203 9.203 8.450 0.753 19954 8862 1 14 . 1 1 22 22 SER N N 22 109.885 109.885 110.934 -1.049 19954 8863 1 14 . 1 1 22 22 SER HA H 22 4.322 4.322 4.279 0.043 19954 8864 1 14 . 1 1 22 22 SER CA C 22 55.254 55.254 59.468 -4.215 19954 8865 1 14 . 1 1 22 22 SER CB C 22 62.254 62.254 62.216 0.038 19954 8866 1 14 . 1 1 22 22 SER H H 22 8.607 8.607 8.601 0.006 19954 8867 1 14 . 1 1 23 23 GLY N N 23 106.286 106.286 109.685 -3.399 19954 8868 1 14 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.757 -0.777 19954 8869 1 14 . 1 1 23 23 GLY H H 23 6.619 6.619 8.416 -1.797 19954 8870 1 14 . 1 1 24 24 ILE N N 24 118.883 118.883 118.380 0.503 19954 8871 1 14 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.092 -0.108 19954 8872 1 14 . 1 1 24 24 ILE CA C 24 59.167 59.167 61.361 -2.194 19954 8873 1 14 . 1 1 24 24 ILE CB C 24 39.646 39.646 42.424 -2.778 19954 8874 1 14 . 1 1 24 24 ILE H H 24 7.929 7.929 7.852 0.077 19954 8875 1 14 . 1 1 25 25 SER N N 25 117.952 117.952 121.245 -3.293 19954 8876 1 14 . 1 1 25 25 SER HA H 25 5.093 5.093 4.617 0.476 19954 8877 1 14 . 1 1 25 25 SER CA C 25 52.534 52.534 55.739 -3.205 19954 8878 1 14 . 1 1 25 25 SER CB C 25 61.938 61.938 63.257 -1.319 19954 8879 1 14 . 1 1 25 25 SER H H 25 5.660 5.660 7.518 -1.858 19954 8880 1 14 . 1 1 26 26 GLY N N 26 120.266 120.266 113.996 6.270 19954 8881 1 14 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.279 -1.792 19954 8882 1 14 . 1 1 26 26 GLY H H 26 8.596 8.596 8.955 -0.359 19954 8883 1 14 . 1 1 27 27 SER N N 27 120.500 120.500 115.991 4.509 19954 8884 1 14 . 1 1 27 27 SER HA H 27 4.410 4.410 4.121 0.289 19954 8885 1 14 . 1 1 27 27 SER CA C 27 58.793 58.793 61.470 -2.677 19954 8886 1 14 . 1 1 27 27 SER CB C 27 62.224 62.224 62.915 -0.691 19954 8887 1 14 . 1 1 27 27 SER H H 27 9.846 9.846 8.527 1.319 19954 8888 1 14 . 1 1 28 28 ARG N N 28 123.779 123.779 120.660 3.119 19954 8889 1 14 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.995 -0.110 19954 8890 1 14 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.027 -2.187 19954 8891 1 14 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.582 -1.468 19954 8892 1 14 . 1 1 28 28 ARG H H 28 8.034 8.034 7.940 0.094 19954 8893 1 14 . 1 1 29 29 ILE N N 29 120.700 120.700 120.184 0.516 19954 8894 1 14 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.569 -0.097 19954 8895 1 14 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.256 -0.627 19954 8896 1 14 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.445 -1.777 19954 8897 1 14 . 1 1 29 29 ILE H H 29 8.374 8.374 7.762 0.612 19954 8898 1 14 . 1 1 30 30 LYS N N 30 124.209 124.209 120.668 3.541 19954 8899 1 14 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.923 0.105 19954 8900 1 14 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.154 -2.753 19954 8901 1 14 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.193 -2.913 19954 8902 1 14 . 1 1 30 30 LYS H H 30 8.231 8.231 7.978 0.253 19954 8903 1 14 . 1 1 31 31 LYS N N 31 120.422 120.422 119.310 1.112 19954 8904 1 14 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.076 -0.038 19954 8905 1 14 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.033 -1.415 19954 8906 1 14 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.081 -1.912 19954 8907 1 14 . 1 1 31 31 LYS H H 31 7.449 7.449 7.770 -0.321 19954 8908 1 14 . 1 1 32 32 LEU N N 32 118.348 118.348 118.967 -0.619 19954 8909 1 14 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.084 -0.023 19954 8910 1 14 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.651 -3.241 19954 8911 1 14 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.484 -1.702 19954 8912 1 14 . 1 1 32 32 LEU H H 32 8.186 8.186 8.138 0.048 19954 8913 1 14 . 1 1 33 33 THR N N 33 116.500 116.500 115.600 0.900 19954 8914 1 14 . 1 1 33 33 THR HA H 33 3.662 3.662 3.923 -0.261 19954 8915 1 14 . 1 1 33 33 THR CA C 33 64.726 64.726 67.835 -3.109 19954 8916 1 14 . 1 1 33 33 THR CB C 33 66.097 66.097 68.461 -2.364 19954 8917 1 14 . 1 1 33 33 THR H H 33 8.066 8.066 8.456 -0.390 19954 8918 1 14 . 1 1 34 34 THR N N 34 119.029 119.029 117.991 1.038 19954 8919 1 14 . 1 1 34 34 THR HA H 34 3.759 3.759 3.888 -0.129 19954 8920 1 14 . 1 1 34 34 THR CA C 34 64.291 64.291 66.530 -2.239 19954 8921 1 14 . 1 1 34 34 THR CB C 34 66.733 66.733 69.078 -2.345 19954 8922 1 14 . 1 1 34 34 THR H H 34 8.685 8.685 8.040 0.645 19954 8923 1 14 . 1 1 35 35 TYR N N 35 120.298 120.298 122.816 -2.518 19954 8924 1 14 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.227 -0.025 19954 8925 1 14 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.795 -1.641 19954 8926 1 14 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.228 -2.218 19954 8927 1 14 . 1 1 35 35 TYR H H 35 7.663 7.663 8.480 -0.817 19954 8928 1 14 . 1 1 36 36 ALA N N 36 121.480 121.480 122.086 -0.606 19954 8929 1 14 . 1 1 36 36 ALA HA H 36 3.912 3.912 4.021 -0.109 19954 8930 1 14 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.210 -2.074 19954 8931 1 14 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.625 -3.752 19954 8932 1 14 . 1 1 36 36 ALA H H 36 8.543 8.543 8.510 0.033 19954 8933 1 14 . 1 1 37 37 LEU N N 37 120.767 120.767 118.035 2.732 19954 8934 1 14 . 1 1 37 37 LEU HA H 37 4.103 4.103 4.000 0.103 19954 8935 1 14 . 1 1 37 37 LEU CA C 37 54.840 54.840 57.735 -2.895 19954 8936 1 14 . 1 1 37 37 LEU CB C 37 40.182 40.182 40.732 -0.550 19954 8937 1 14 . 1 1 37 37 LEU H H 37 8.351 8.351 8.030 0.321 19954 8938 1 14 . 1 1 38 38 ASP N N 38 119.008 119.008 117.701 1.307 19954 8939 1 14 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.245 0.211 19954 8940 1 14 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.464 -4.324 19954 8941 1 14 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.371 -2.473 19954 8942 1 14 . 1 1 38 38 ASP H H 38 7.557 7.557 8.211 -0.654 19954 8943 1 14 . 1 1 39 39 HIS N N 39 118.142 118.142 118.021 0.121 19954 8944 1 14 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.730 -0.105 19954 8945 1 14 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.631 -2.485 19954 8946 1 14 . 1 1 39 39 HIS CB C 39 25.506 25.506 30.067 -4.561 19954 8947 1 14 . 1 1 39 39 HIS H H 39 7.094 7.094 8.041 -0.947 19954 8948 1 14 . 1 1 40 40 ILE N N 40 121.885 121.885 122.423 -0.538 19954 8949 1 14 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.948 -0.522 19954 8950 1 14 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.221 1.372 19954 8951 1 14 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.286 -1.113 19954 8952 1 14 . 1 1 40 40 ILE H H 40 7.630 7.630 8.211 -0.581 19954 8953 1 14 . 1 1 41 41 ASP N N 41 114.814 114.814 118.429 -3.615 19954 8954 1 14 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.599 -0.413 19954 8955 1 14 . 1 1 41 41 ASP CA C 41 54.016 54.016 53.931 0.085 19954 8956 1 14 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.628 -3.792 19954 8957 1 14 . 1 1 41 41 ASP H H 41 8.433 8.433 8.596 -0.163 19954 8958 1 14 . 1 1 42 42 ILE N N 42 113.793 113.793 113.158 0.635 19954 8959 1 14 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.471 0.241 19954 8960 1 14 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.280 -2.039 19954 8961 1 14 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.092 -3.196 19954 8962 1 14 . 1 1 42 42 ILE H H 42 7.447 7.447 7.245 0.202 19954 8963 1 14 . 1 1 43 43 GLU N N 43 120.845 120.845 122.712 -1.867 19954 8964 1 14 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.117 -0.071 19954 8965 1 14 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.830 -3.062 19954 8966 1 14 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.766 -4.749 19954 8967 1 14 . 1 1 43 43 GLU H H 43 8.195 8.195 8.103 0.092 19954 8968 1 14 . 1 1 44 44 SER N N 44 113.781 113.781 115.935 -2.154 19954 8969 1 14 . 1 1 44 44 SER HA H 44 3.944 3.944 4.085 -0.141 19954 8970 1 14 . 1 1 44 44 SER CA C 44 59.590 59.590 62.099 -2.509 19954 8971 1 14 . 1 1 44 44 SER CB C 44 59.878 59.878 62.987 -3.109 19954 8972 1 14 . 1 1 44 44 SER H H 44 8.728 8.728 8.495 0.233 19954 8973 1 14 . 1 1 45 45 LYS N N 45 121.258 121.258 119.946 1.312 19954 8974 1 14 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.007 0.072 19954 8975 1 14 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.938 -2.748 19954 8976 1 14 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.436 -0.959 19954 8977 1 14 . 1 1 45 45 LYS H H 45 7.329 7.329 8.362 -1.033 19954 8978 1 14 . 1 1 46 46 ILE N N 46 121.022 121.022 121.675 -0.653 19954 8979 1 14 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.583 -0.220 19954 8980 1 14 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.026 -1.769 19954 8981 1 14 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.629 -0.737 19954 8982 1 14 . 1 1 46 46 ILE H H 46 7.360 7.360 7.938 -0.578 19954 8983 1 14 . 1 1 47 47 ILE N N 47 118.543 118.543 119.620 -1.077 19954 8984 1 14 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.644 0.095 19954 8985 1 14 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.366 -5.709 19954 8986 1 14 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.437 -4.309 19954 8987 1 14 . 1 1 47 47 ILE H H 47 9.378 9.378 8.275 1.103 19954 8988 1 14 . 1 1 48 48 SER N N 48 113.001 113.001 115.257 -2.256 19954 8989 1 14 . 1 1 48 48 SER HA H 48 4.016 4.016 4.212 -0.196 19954 8990 1 14 . 1 1 48 48 SER CA C 48 59.574 59.574 61.818 -2.244 19954 8991 1 14 . 1 1 48 48 SER CB C 48 60.341 60.341 62.725 -2.384 19954 8992 1 14 . 1 1 48 48 SER H H 48 7.382 7.382 8.657 -1.275 19954 8993 1 14 . 1 1 49 49 LEU N N 49 120.059 120.059 123.144 -3.085 19954 8994 1 14 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.186 -0.016 19954 8995 1 14 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.378 -2.712 19954 8996 1 14 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.078 -2.328 19954 8997 1 14 . 1 1 49 49 LEU H H 49 7.477 7.477 8.286 -0.809 19954 8998 1 14 . 1 1 50 50 ILE N N 50 115.429 115.429 117.783 -2.354 19954 8999 1 14 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.515 0.578 19954 9000 1 14 . 1 1 50 50 ILE CA C 50 62.804 62.804 64.946 -2.142 19954 9001 1 14 . 1 1 50 50 ILE H H 50 8.081 8.081 7.878 0.203 19954 9002 1 14 . 1 1 51 51 ILE N N 51 125.106 125.106 121.362 3.744 19954 9003 1 14 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.546 -0.091 19954 9004 1 14 . 1 1 51 51 ILE CA C 51 64.148 64.148 65.888 -1.740 19954 9005 1 14 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.588 -1.869 19954 9006 1 14 . 1 1 51 51 ILE H H 51 8.194 8.194 8.011 0.183 19954 9007 1 14 . 1 1 52 52 ASP N N 52 119.519 119.519 119.645 -0.126 19954 9008 1 14 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.343 -0.099 19954 9009 1 14 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.809 -2.825 19954 9010 1 14 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.873 -3.008 19954 9011 1 14 . 1 1 52 52 ASP H H 52 7.850 7.850 8.214 -0.364 19954 9012 1 14 . 1 1 53 53 TYR N N 53 118.402 118.402 120.210 -1.808 19954 9013 1 14 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.160 -0.268 19954 9014 1 14 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.123 -1.378 19954 9015 1 14 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.483 -2.619 19954 9016 1 14 . 1 1 53 53 TYR H H 53 8.260 8.260 8.735 -0.475 19954 9017 1 14 . 1 1 54 54 SER N N 54 111.626 111.626 115.939 -4.313 19954 9018 1 14 . 1 1 54 54 SER HA H 54 4.058 4.058 4.292 -0.234 19954 9019 1 14 . 1 1 54 54 SER CA C 54 58.733 58.733 61.444 -2.711 19954 9020 1 14 . 1 1 54 54 SER CB C 54 62.430 62.430 63.437 -1.007 19954 9021 1 14 . 1 1 54 54 SER H H 54 7.316 7.316 7.918 -0.602 19954 9022 1 14 . 1 1 55 55 ARG N N 55 114.937 114.937 121.688 -6.751 19954 9023 1 14 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.072 0.100 19954 9024 1 14 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.918 -1.645 19954 9025 1 14 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.137 -0.887 19954 9026 1 14 . 1 1 55 55 ARG H H 55 7.901 7.901 7.664 0.237 19954 9027 1 14 . 1 1 56 56 LEU N N 56 116.307 116.307 120.267 -3.960 19954 9028 1 14 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.937 0.266 19954 9029 1 14 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.276 -4.476 19954 9030 1 14 . 1 1 56 56 LEU CB C 56 40.868 40.868 41.928 -1.060 19954 9031 1 14 . 1 1 56 56 LEU H H 56 7.802 7.802 7.950 -0.148 19954 9032 1 14 . 1 1 57 57 CYS N N 57 119.062 119.062 115.107 3.955 19954 9033 1 14 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.407 -0.167 19954 9034 1 14 . 1 1 57 57 CYS CA C 57 53.750 53.750 57.399 -3.649 19954 9035 1 14 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.953 -4.877 19954 9036 1 14 . 1 1 57 57 CYS H H 57 7.717 7.717 7.399 0.318 19954 9037 1 14 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.432 -0.087 19954 9038 1 14 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.705 -2.223 19954 9039 1 14 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.192 -2.032 19954 9040 1 14 . 1 1 59 59 ASP N N 59 123.671 123.671 118.831 4.840 19954 9041 1 14 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.267 -0.350 19954 9042 1 14 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.514 -2.700 19954 9043 1 14 . 1 1 59 59 ASP CB C 59 36.924 36.924 40.456 -3.532 19954 9044 1 14 . 1 1 59 59 ASP H H 59 8.696 8.696 8.630 0.066 19954 9045 1 14 . 1 1 60 60 SER N N 60 110.600 110.600 115.351 -4.751 19954 9046 1 14 . 1 1 60 60 SER HA H 60 4.103 4.103 4.097 0.006 19954 9047 1 14 . 1 1 60 60 SER CA C 60 57.379 57.379 62.033 -4.654 19954 9048 1 14 . 1 1 60 60 SER CB C 60 61.562 61.562 63.032 -1.470 19954 9049 1 14 . 1 1 60 60 SER H H 60 8.119 8.119 8.543 -0.424 19954 9050 1 14 . 1 1 61 61 HIS N N 61 122.391 122.391 119.918 2.473 19954 9051 1 14 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.436 0.197 19954 9052 1 14 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.123 -3.409 19954 9053 1 14 . 1 1 61 61 HIS CB C 61 29.942 29.942 28.937 1.005 19954 9054 1 14 . 1 1 61 61 HIS H H 61 8.123 8.123 8.003 0.120 19954 9055 1 14 . 1 1 62 62 LYS N N 62 121.665 121.665 120.384 1.281 19954 9056 1 14 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.912 -0.217 19954 9057 1 14 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.827 -4.067 19954 9058 1 14 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.103 -1.808 19954 9059 1 14 . 1 1 62 62 LYS H H 62 7.512 7.512 8.003 -0.491 19954 9060 1 14 . 1 1 63 63 LEU N N 63 117.792 117.792 119.803 -2.011 19954 9061 1 14 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.891 -0.433 19954 9062 1 14 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.711 -1.086 19954 9063 1 14 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.330 -3.280 19954 9064 1 14 . 1 1 63 63 LEU H H 63 8.136 8.136 8.009 0.127 19954 9065 1 14 . 1 1 64 64 GLY N N 64 105.340 105.340 106.208 -0.868 19954 9066 1 14 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.340 -1.793 19954 9067 1 14 . 1 1 64 64 GLY H H 64 8.616 8.616 7.784 0.832 19954 9068 1 14 . 1 1 65 65 SER N N 65 117.745 117.745 117.971 -0.226 19954 9069 1 14 . 1 1 65 65 SER HA H 65 4.265 4.265 3.955 0.310 19954 9070 1 14 . 1 1 65 65 SER CA C 65 58.998 58.998 61.786 -2.788 19954 9071 1 14 . 1 1 65 65 SER CB C 65 67.350 67.350 62.957 4.393 19954 9072 1 14 . 1 1 65 65 SER H H 65 7.894 7.894 8.518 -0.624 19954 9073 1 14 . 1 1 66 66 LEU N N 66 124.161 124.161 121.658 2.503 19954 9074 1 14 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.039 0.262 19954 9075 1 14 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.620 -4.565 19954 9076 1 14 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.553 -3.446 19954 9077 1 14 . 1 1 66 66 LEU H H 66 7.407 7.407 8.009 -0.602 19954 9078 1 14 . 1 1 67 67 TYR N N 67 121.466 121.466 117.871 3.595 19954 9079 1 14 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.242 0.302 19954 9080 1 14 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.259 -6.820 19954 9081 1 14 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.546 -3.365 19954 9082 1 14 . 1 1 67 67 TYR H H 67 8.001 8.001 7.846 0.155 19954 9083 1 14 . 1 1 68 68 ILE N N 68 121.357 121.357 120.292 1.065 19954 9084 1 14 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.547 -0.312 19954 9085 1 14 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.169 -1.787 19954 9086 1 14 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.818 -1.738 19954 9087 1 14 . 1 1 68 68 ILE H H 68 7.811 7.811 7.813 -0.002 19954 9088 1 14 . 1 1 69 69 ILE N N 69 117.955 117.955 119.568 -1.613 19954 9089 1 14 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.484 -0.135 19954 9090 1 14 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.737 -2.324 19954 9091 1 14 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.485 -1.566 19954 9092 1 14 . 1 1 69 69 ILE H H 69 6.886 6.886 8.580 -1.694 19954 9093 1 14 . 1 1 70 70 ASP N N 70 118.932 118.932 120.127 -1.195 19954 9094 1 14 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.070 0.326 19954 9095 1 14 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.860 -1.825 19954 9096 1 14 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.905 0.684 19954 9097 1 14 . 1 1 70 70 ASP H H 70 9.100 9.100 8.338 0.762 19954 9098 1 14 . 1 1 71 71 SER N N 71 110.354 110.354 115.528 -5.174 19954 9099 1 14 . 1 1 71 71 SER HA H 71 4.104 4.104 4.151 -0.047 19954 9100 1 14 . 1 1 71 71 SER CA C 71 58.746 58.746 61.885 -3.139 19954 9101 1 14 . 1 1 71 71 SER CB C 71 61.136 61.136 63.163 -2.027 19954 9102 1 14 . 1 1 71 71 SER H H 71 7.938 7.938 7.715 0.223 19954 9103 1 14 . 1 1 72 72 ILE N N 72 117.565 117.565 121.230 -3.665 19954 9104 1 14 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.476 -0.211 19954 9105 1 14 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.401 -1.752 19954 9106 1 14 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.605 -1.841 19954 9107 1 14 . 1 1 72 72 ILE H H 72 7.912 7.912 7.783 0.129 19954 9108 1 14 . 1 1 73 73 GLY N N 73 107.350 107.350 107.419 -0.069 19954 9109 1 14 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.931 -2.183 19954 9110 1 14 . 1 1 73 73 GLY H H 73 8.847 8.847 8.419 0.428 19954 9111 1 14 . 1 1 74 74 ARG N N 74 118.068 118.068 122.750 -4.682 19954 9112 1 14 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.797 0.153 19954 9113 1 14 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.510 -0.337 19954 9114 1 14 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.056 -2.384 19954 9115 1 14 . 1 1 74 74 ARG H H 74 8.705 8.705 8.044 0.661 19954 9116 1 14 . 1 1 75 75 ALA N N 75 123.817 123.817 121.922 1.895 19954 9117 1 14 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.026 0.190 19954 9118 1 14 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.129 -2.267 19954 9119 1 14 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.430 -3.029 19954 9120 1 14 . 1 1 75 75 ALA H H 75 7.673 7.673 7.811 -0.138 19954 9121 1 14 . 1 1 76 76 TYR N N 76 119.918 119.918 118.788 1.130 19954 9122 1 14 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.161 0.376 19954 9123 1 14 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.108 -5.015 19954 9124 1 14 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.800 -3.997 19954 9125 1 14 . 1 1 76 76 TYR H H 76 8.659 8.659 8.385 0.274 19954 9126 1 14 . 1 1 77 77 LEU N N 77 123.387 123.387 120.395 2.992 19954 9127 1 14 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.810 0.004 19954 9128 1 14 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.787 -3.612 19954 9129 1 14 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.624 -1.750 19954 9130 1 14 . 1 1 77 77 LEU H H 77 8.756 8.756 8.691 0.065 19954 9131 1 14 . 1 1 78 78 ASP N N 78 120.181 120.181 118.298 1.883 19954 9132 1 14 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.249 0.046 19954 9133 1 14 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.546 -2.743 19954 9134 1 14 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.414 -2.591 19954 9135 1 14 . 1 1 78 78 ASP H H 78 7.891 7.891 8.011 -0.120 19954 9136 1 14 . 1 1 79 79 GLU N N 79 120.503 120.503 118.937 1.566 19954 9137 1 14 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.992 0.026 19954 9138 1 14 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.010 -2.536 19954 9139 1 14 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.163 -1.959 19954 9140 1 14 . 1 1 79 79 GLU H H 79 7.502 7.502 7.965 -0.463 19954 9141 1 14 . 1 1 80 80 THR N N 80 111.013 111.013 114.176 -3.163 19954 9142 1 14 . 1 1 80 80 THR HA H 80 4.151 4.151 3.915 0.236 19954 9143 1 14 . 1 1 80 80 THR CA C 80 61.984 61.984 65.569 -3.585 19954 9144 1 14 . 1 1 80 80 THR CB C 80 67.420 67.420 68.733 -1.313 19954 9145 1 14 . 1 1 80 80 THR H H 80 7.883 7.883 7.840 0.043 19954 9146 1 14 . 1 1 81 81 ARG N N 81 120.172 120.172 122.515 -2.343 19954 9147 1 14 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.044 0.035 19954 9148 1 14 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.921 -3.784 19954 9149 1 14 . 1 1 81 81 ARG H H 81 7.471 7.471 8.308 -0.837 19954 9150 1 14 . 1 1 82 82 SER N N 82 113.571 113.571 113.143 0.428 19954 9151 1 14 . 1 1 82 82 SER HA H 82 4.329 4.329 4.283 0.046 19954 9152 1 14 . 1 1 82 82 SER CA C 82 56.193 56.193 60.216 -4.023 19954 9153 1 14 . 1 1 82 82 SER CB C 82 72.312 72.312 63.597 8.715 19954 9154 1 14 . 1 1 82 82 SER H H 82 7.744 7.744 8.000 -0.256 19954 9155 1 14 . 1 1 83 83 ASN N N 83 119.990 119.990 118.325 1.665 19954 9156 1 14 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.823 -0.081 19954 9157 1 14 . 1 1 83 83 ASN CA C 83 50.163 50.163 51.901 -1.738 19954 9158 1 14 . 1 1 83 83 ASN H H 83 7.792 7.792 7.662 0.130 19954 9159 1 14 . 1 1 84 84 SER N N 84 116.799 116.799 115.348 1.451 19954 9160 1 14 . 1 1 84 84 SER HA H 84 4.291 4.291 4.480 -0.189 19954 9161 1 14 . 1 1 84 84 SER CA C 84 56.325 56.325 58.178 -1.853 19954 9162 1 14 . 1 1 84 84 SER H H 84 8.352 8.352 8.357 -0.005 19954 9163 1 14 . 1 1 85 85 ASN N N 85 120.087 120.087 125.400 -5.313 19954 9164 1 14 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.481 0.186 19954 9165 1 14 . 1 1 85 85 ASN CA C 85 50.808 50.808 54.292 -3.484 19954 9166 1 14 . 1 1 85 85 ASN H H 85 8.362 8.362 8.175 0.187 19954 9167 1 14 . 1 1 86 86 SER N N 86 116.068 116.068 115.013 1.055 19954 9168 1 14 . 1 1 86 86 SER HA H 86 4.362 4.362 4.406 -0.044 19954 9169 1 14 . 1 1 86 86 SER CA C 86 55.853 55.853 59.283 -3.430 19954 9170 1 14 . 1 1 86 86 SER H H 86 8.102 8.102 8.134 -0.032 19954 9171 1 14 . 1 1 87 87 SER N N 87 117.615 117.615 119.268 -1.653 19954 9172 1 14 . 1 1 87 87 SER HA H 87 4.302 4.302 4.516 -0.214 19954 9173 1 14 . 1 1 87 87 SER CA C 87 55.608 55.608 58.678 -3.070 19954 9174 1 14 . 1 1 87 87 SER H H 87 8.269 8.269 8.572 -0.303 19954 9175 1 14 . 1 1 88 88 SER N N 88 122.455 122.455 115.411 7.044 19954 9176 1 14 . 1 1 88 88 SER CA C 88 53.710 53.710 57.748 -4.038 19954 9177 1 14 . 1 1 88 88 SER H H 88 8.377 8.377 8.082 0.295 19954 9178 1 14 . 1 1 89 89 ASN N N 89 115.430 115.430 118.510 -3.080 19954 9179 1 14 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.158 5.742 19954 9180 1 14 . 1 1 89 89 ASN H H 89 8.141 8.141 8.169 -0.028 19954 9181 1 14 . 1 1 90 90 LYS N N 90 128.071 128.071 116.970 11.101 19954 9182 1 14 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.607 -1.226 19954 9183 1 14 . 1 1 90 90 LYS H H 90 7.961 7.961 8.397 -0.436 19954 9184 1 14 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.651 -1.246 19954 9185 1 14 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.800 -2.179 19954 9186 1 14 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.615 -3.922 19954 9187 1 14 . 1 1 92 92 GLY N N 92 112.403 112.403 105.599 6.804 19954 9188 1 14 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.468 -3.163 19954 9189 1 14 . 1 1 92 92 GLY H H 92 10.139 10.139 9.041 1.098 19954 9190 1 14 . 1 1 93 93 THR N N 93 106.254 106.254 112.299 -6.045 19954 9191 1 14 . 1 1 93 93 THR HA H 93 4.527 4.527 5.179 -0.652 19954 9192 1 14 . 1 1 93 93 THR CA C 93 56.663 56.663 59.275 -2.612 19954 9193 1 14 . 1 1 93 93 THR CB C 93 70.927 70.927 70.411 0.516 19954 9194 1 14 . 1 1 93 93 THR H H 93 7.180 7.180 7.295 -0.115 19954 9195 1 14 . 1 1 94 94 CYS N N 94 121.465 121.465 119.094 2.371 19954 9196 1 14 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.674 -0.224 19954 9197 1 14 . 1 1 94 94 CYS CA C 94 60.867 60.867 62.247 -1.380 19954 9198 1 14 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.892 -1.646 19954 9199 1 14 . 1 1 94 94 CYS H H 94 8.777 8.777 8.325 0.452 19954 9200 1 14 . 1 1 95 95 ALA N N 95 119.619 119.619 122.914 -3.295 19954 9201 1 14 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.968 -0.126 19954 9202 1 14 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.123 -2.378 19954 9203 1 14 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.790 -2.086 19954 9204 1 14 . 1 1 95 95 ALA H H 95 8.392 8.392 8.309 0.083 19954 9205 1 14 . 1 1 96 96 HIS N N 96 118.081 118.081 118.196 -0.115 19954 9206 1 14 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.191 0.015 19954 9207 1 14 . 1 1 96 96 HIS CA C 96 57.691 57.691 58.346 -0.654 19954 9208 1 14 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.556 -2.472 19954 9209 1 14 . 1 1 96 96 HIS H H 96 7.631 7.631 8.053 -0.422 19954 9210 1 14 . 1 1 97 97 ALA N N 97 123.652 123.652 122.852 0.800 19954 9211 1 14 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.348 -0.407 19954 9212 1 14 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.265 -2.107 19954 9213 1 14 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.654 -0.990 19954 9214 1 14 . 1 1 97 97 ALA H H 97 7.347 7.347 8.367 -1.020 19954 9215 1 14 . 1 1 98 98 ILE N N 98 115.278 115.278 118.712 -3.434 19954 9216 1 14 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.630 -0.106 19954 9217 1 14 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.828 -2.845 19954 9218 1 14 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.420 -1.753 19954 9219 1 14 . 1 1 98 98 ILE H H 98 7.916 7.916 8.388 -0.472 19954 9220 1 14 . 1 1 99 99 ASN N N 99 120.684 120.684 118.699 1.985 19954 9221 1 14 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.461 -0.057 19954 9222 1 14 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.643 -2.504 19954 9223 1 14 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.257 -2.012 19954 9224 1 14 . 1 1 99 99 ASN H H 99 7.978 7.978 8.088 -0.110 19954 9225 1 14 . 1 1 100 100 THR N N 100 117.791 117.791 117.579 0.212 19954 9226 1 14 . 1 1 100 100 THR HA H 100 3.630 3.630 3.990 -0.360 19954 9227 1 14 . 1 1 100 100 THR CA C 100 63.899 63.899 66.258 -2.359 19954 9228 1 14 . 1 1 100 100 THR CB C 100 66.038 66.038 68.995 -2.957 19954 9229 1 14 . 1 1 100 100 THR H H 100 8.295 8.295 8.106 0.189 19954 9230 1 14 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.872 -0.154 19954 9231 1 14 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.124 -3.699 19954 9232 1 14 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.886 -0.698 19954 9233 1 14 . 1 1 101 101 LEU H H 101 7.825 7.825 8.222 -0.397 19954 9234 1 14 . 1 1 102 102 GLY N N 102 105.767 105.767 103.539 2.228 19954 9235 1 14 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.564 -1.223 19954 9236 1 14 . 1 1 102 102 GLY H H 102 8.591 8.591 8.306 0.285 19954 9237 1 14 . 1 1 103 103 GLU N N 103 116.366 116.366 119.507 -3.141 19954 9238 1 14 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.365 -0.298 19954 9239 1 14 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.437 -1.991 19954 9240 1 14 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.313 -2.936 19954 9241 1 14 . 1 1 103 103 GLU H H 103 7.471 7.471 7.906 -0.435 19954 9242 1 14 . 1 1 104 104 VAL N N 104 108.377 108.377 113.236 -4.859 19954 9243 1 14 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.432 0.324 19954 9244 1 14 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.533 -4.678 19954 9245 1 14 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.623 -2.745 19954 9246 1 14 . 1 1 104 104 VAL H H 104 7.016 7.016 7.799 -0.783 19954 9247 1 14 . 1 1 105 105 ILE N N 105 123.784 123.784 122.800 0.984 19954 9248 1 14 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.545 0.209 19954 9249 1 14 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.514 -6.114 19954 9250 1 14 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.608 -2.196 19954 9251 1 14 . 1 1 105 105 ILE H H 105 7.197 7.197 8.589 -1.392 19954 9252 1 14 . 1 1 106 106 GLN N N 106 121.117 121.117 118.639 2.478 19954 9253 1 14 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.918 -0.263 19954 9254 1 14 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.288 -0.954 19954 9255 1 14 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.314 -0.423 19954 9256 1 14 . 1 1 106 106 GLN H H 106 8.549 8.549 8.599 -0.050 19954 9257 1 14 . 1 1 107 107 GLU N N 107 122.716 122.716 121.572 1.144 19954 9258 1 14 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.093 -0.256 19954 9259 1 14 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.641 -2.053 19954 9260 1 14 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.907 -2.373 19954 9261 1 14 . 1 1 107 107 GLU H H 107 7.762 7.762 8.064 -0.302 19954 9262 1 14 . 1 1 108 108 LEU N N 108 116.615 116.615 121.276 -4.661 19954 9263 1 14 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.949 0.030 19954 9264 1 14 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.893 -3.099 19954 9265 1 14 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.661 -3.164 19954 9266 1 14 . 1 1 108 108 LEU H H 108 8.016 8.016 7.732 0.284 19954 9267 1 14 . 1 1 109 109 LEU N N 109 118.708 118.708 119.243 -0.535 19954 9268 1 14 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.845 -0.005 19954 9269 1 14 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.896 -3.170 19954 9270 1 14 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.766 -0.444 19954 9271 1 14 . 1 1 109 109 LEU H H 109 8.801 8.801 8.540 0.261 19954 9272 1 14 . 1 1 110 110 SER N N 110 114.083 114.083 114.390 -0.307 19954 9273 1 14 . 1 1 110 110 SER HA H 110 3.848 3.848 3.814 0.034 19954 9274 1 14 . 1 1 110 110 SER CA C 110 60.127 60.127 61.677 -1.550 19954 9275 1 14 . 1 1 110 110 SER CB C 110 60.300 60.300 62.355 -2.055 19954 9276 1 14 . 1 1 110 110 SER H H 110 8.161 8.161 8.269 -0.108 19954 9277 1 14 . 1 1 111 111 ASP N N 111 120.151 120.151 122.924 -2.773 19954 9278 1 14 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.190 0.152 19954 9279 1 14 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.291 -2.524 19954 9280 1 14 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.267 -0.523 19954 9281 1 14 . 1 1 111 111 ASP H H 111 7.614 7.614 7.993 -0.379 19954 9282 1 14 . 1 1 112 112 ALA N N 112 116.927 116.927 122.564 -5.637 19954 9283 1 14 . 1 1 112 112 ALA HA H 112 3.589 3.589 4.054 -0.465 19954 9284 1 14 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.292 -2.569 19954 9285 1 14 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.404 -0.757 19954 9286 1 14 . 1 1 112 112 ALA H H 112 7.662 7.662 8.175 -0.513 19954 9287 1 14 . 1 1 113 113 ILE N N 113 119.039 119.039 118.876 0.163 19954 9288 1 14 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.761 -0.534 19954 9289 1 14 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.526 -0.846 19954 9290 1 14 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.315 -1.156 19954 9291 1 14 . 1 1 113 113 ILE H H 113 8.681 8.681 8.416 0.265 19954 9292 1 14 . 1 1 114 114 ALA N N 114 120.055 120.055 122.789 -2.734 19954 9293 1 14 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.930 -0.023 19954 9294 1 14 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.688 -2.100 19954 9295 1 14 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.148 -2.017 19954 9296 1 14 . 1 1 114 114 ALA H H 114 7.716 7.716 8.176 -0.460 19954 9297 1 14 . 1 1 115 115 LYS N N 115 113.845 113.845 119.189 -5.344 19954 9298 1 14 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.042 0.041 19954 9299 1 14 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.260 -3.305 19954 9300 1 14 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.698 -1.065 19954 9301 1 14 . 1 1 115 115 LYS H H 115 7.248 7.248 8.163 -0.915 19954 9302 1 14 . 1 1 116 116 SER N N 116 115.794 115.794 113.241 2.553 19954 9303 1 14 . 1 1 116 116 SER HA H 116 4.503 4.503 4.596 -0.093 19954 9304 1 14 . 1 1 116 116 SER CA C 116 57.848 57.848 59.446 -1.598 19954 9305 1 14 . 1 1 116 116 SER CB C 116 63.380 63.380 63.691 -0.311 19954 9306 1 14 . 1 1 116 116 SER H H 116 7.124 7.124 8.125 -1.001 19954 9307 1 14 . 1 1 117 117 ASN N N 117 119.747 119.747 121.385 -1.638 19954 9308 1 14 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.696 -0.174 19954 9309 1 14 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.208 -2.866 19954 9310 1 14 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.382 -4.100 19954 9311 1 14 . 1 1 117 117 ASN H H 117 8.457 8.457 8.287 0.170 19954 9312 1 14 . 1 1 118 118 GLN N N 118 117.591 117.591 117.387 0.204 19954 9313 1 14 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.926 -0.149 19954 9314 1 14 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.475 -3.291 19954 9315 1 14 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.410 3.131 19954 9316 1 14 . 1 1 118 118 GLN H H 118 8.418 8.418 8.718 -0.300 19954 9317 1 14 . 1 1 119 119 ASP N N 119 119.281 119.281 118.923 0.358 19954 9318 1 14 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.594 -0.304 19954 9319 1 14 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.729 -3.136 19954 9320 1 14 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.916 -2.013 19954 9321 1 14 . 1 1 119 119 ASP H H 119 7.973 7.973 8.580 -0.607 19954 9322 1 14 . 1 1 120 120 HIS N N 120 118.871 118.871 117.364 1.507 19954 9323 1 14 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.131 0.209 19954 9324 1 14 . 1 1 120 120 HIS CA C 120 55.758 55.758 59.175 -3.417 19954 9325 1 14 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.554 -1.826 19954 9326 1 14 . 1 1 120 120 HIS H H 120 8.702 8.702 8.441 0.261 19954 9327 1 14 . 1 1 121 121 LYS N N 121 120.739 120.739 118.726 2.013 19954 9328 1 14 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.978 -0.210 19954 9329 1 14 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.468 0.218 19954 9330 1 14 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.685 -0.761 19954 9331 1 14 . 1 1 121 121 LYS H H 121 8.990 8.990 8.813 0.177 19954 9332 1 14 . 1 1 122 122 GLU N N 122 117.889 117.889 119.522 -1.633 19954 9333 1 14 . 1 1 122 122 GLU HA H 122 4.062 4.062 3.973 0.089 19954 9334 1 14 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.432 -3.327 19954 9335 1 14 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.027 -2.336 19954 9336 1 14 . 1 1 122 122 GLU H H 122 7.615 7.615 7.877 -0.262 19954 9337 1 14 . 1 1 123 123 LYS N N 123 119.139 119.139 119.103 0.036 19954 9338 1 14 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.086 -0.127 19954 9339 1 14 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.895 -2.293 19954 9340 1 14 . 1 1 123 123 LYS CB C 123 30.223 30.223 32.092 -1.869 19954 9341 1 14 . 1 1 123 123 LYS H H 123 7.550 7.550 7.643 -0.093 19954 9342 1 14 . 1 1 124 124 ILE N N 124 123.103 123.103 120.039 3.064 19954 9343 1 14 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.538 -0.312 19954 9344 1 14 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.947 -2.263 19954 9345 1 14 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.647 -2.904 19954 9346 1 14 . 1 1 124 124 ILE H H 124 8.356 8.356 7.892 0.464 19954 9347 1 14 . 1 1 125 125 ARG N N 125 122.162 122.162 119.833 2.329 19954 9348 1 14 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.855 -0.749 19954 9349 1 14 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.413 -1.389 19954 9350 1 14 . 1 1 125 125 ARG CB C 125 31.971 31.971 29.981 1.990 19954 9351 1 14 . 1 1 125 125 ARG H H 125 7.988 7.988 7.922 0.066 19954 9352 1 14 . 1 1 126 126 MET N N 126 115.215 115.215 118.679 -3.464 19954 9353 1 14 . 1 1 126 126 MET HA H 126 3.973 3.973 4.053 -0.080 19954 9354 1 14 . 1 1 126 126 MET CA C 126 55.896 55.896 59.020 -3.123 19954 9355 1 14 . 1 1 126 126 MET CB C 126 29.856 29.856 32.414 -2.558 19954 9356 1 14 . 1 1 126 126 MET H H 126 7.455 7.455 7.743 -0.288 19954 9357 1 14 . 1 1 127 127 LEU N N 127 122.351 122.351 120.552 1.799 19954 9358 1 14 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.752 -0.200 19954 9359 1 14 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.688 -2.900 19954 9360 1 14 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.145 -1.867 19954 9361 1 14 . 1 1 127 127 LEU H H 127 7.479 7.479 7.867 -0.388 19954 9362 1 14 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.352 0.531 19954 9363 1 14 . 1 1 128 128 LEU CA C 128 55.347 55.347 57.953 -2.606 19954 9364 1 14 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.233 -2.424 19954 9365 1 14 . 1 1 128 128 LEU H H 128 7.841 7.841 8.001 -0.160 19954 9366 1 14 . 1 1 129 129 ASP N N 129 116.915 116.915 119.358 -2.443 19954 9367 1 14 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.285 0.102 19954 9368 1 14 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.513 -4.914 19954 9369 1 14 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.782 -2.916 19954 9370 1 14 . 1 1 129 129 ASP H H 129 7.034 7.034 7.775 -0.741 19954 9371 1 14 . 1 1 130 130 ILE N N 130 124.155 124.155 120.009 4.146 19954 9372 1 14 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.643 0.000 19954 9373 1 14 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.000 -1.624 19954 9374 1 14 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.716 -2.932 19954 9375 1 14 . 1 1 130 130 ILE H H 130 7.671 7.671 7.679 -0.008 19954 9376 1 14 . 1 1 131 131 TRP N N 131 125.421 125.421 119.977 5.444 19954 9377 1 14 . 1 1 131 131 TRP H H 131 8.831 8.831 7.836 0.995 19954 9378 1 14 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.645 2.794 19954 9379 1 14 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.110 0.373 19954 9380 1 14 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.581 -4.844 19954 9381 1 14 . 1 1 144 144 ALA N N 144 121.013 121.013 123.053 -2.040 19954 9382 1 14 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.000 0.104 19954 9383 1 14 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.859 -2.181 19954 9384 1 14 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.882 -3.506 19954 9385 1 14 . 1 1 144 144 ALA H H 144 8.212 8.212 7.982 0.230 19954 9386 1 14 . 1 1 145 145 ILE N N 145 117.646 117.646 115.499 2.147 19954 9387 1 14 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.882 -0.054 19954 9388 1 14 . 1 1 145 145 ILE CA C 145 58.344 58.344 63.088 -4.744 19954 9389 1 14 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.680 0.462 19954 9390 1 14 . 1 1 145 145 ILE H H 145 7.183 7.183 7.884 -0.701 19954 9391 1 14 . 1 1 146 146 ARG N N 146 121.150 121.150 121.000 0.150 19954 9392 1 14 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.916 -0.014 19954 9393 1 14 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.591 -0.126 19954 9394 1 14 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.053 -2.270 19954 9395 1 14 . 1 1 146 146 ARG H H 146 8.477 8.477 7.536 0.941 19954 9396 1 14 . 1 1 147 147 SER N N 147 111.836 111.836 116.464 -4.628 19954 9397 1 14 . 1 1 147 147 SER HA H 147 4.162 4.162 4.305 -0.143 19954 9398 1 14 . 1 1 147 147 SER CA C 147 58.642 58.642 58.611 0.031 19954 9399 1 14 . 1 1 147 147 SER CB C 147 60.972 60.972 62.932 -1.960 19954 9400 1 14 . 1 1 147 147 SER H H 147 8.187 8.187 7.490 0.697 19954 9401 1 14 . 1 1 148 148 LYS N N 148 118.675 118.675 125.808 -7.133 19954 9402 1 14 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.911 0.227 19954 9403 1 14 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.078 -3.061 19954 9404 1 14 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.216 0.564 19954 9405 1 14 . 1 1 148 148 LYS H H 148 7.837 7.837 8.499 -0.662 19954 9406 1 14 . 1 1 149 149 CYS N N 149 113.256 113.256 116.065 -2.809 19954 9407 1 14 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.201 0.391 19954 9408 1 14 . 1 1 149 149 CYS CA C 149 52.012 52.012 61.441 -9.429 19954 9409 1 14 . 1 1 149 149 CYS H H 149 8.267 8.267 8.144 0.123 19954 9410 1 14 . 1 1 150 150 PHE N N 150 116.623 116.623 122.313 -5.690 19954 9411 1 14 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.046 0.898 19954 9412 1 14 . 1 1 150 150 PHE CA C 150 54.409 54.409 60.752 -6.343 19954 9413 1 14 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.358 -0.305 19954 9414 1 14 . 1 1 150 150 PHE H H 150 7.373 7.373 8.686 -1.313 19954 9415 1 14 . 1 1 151 151 ALA N N 151 122.583 122.583 121.095 1.488 19954 9416 1 14 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.870 0.309 19954 9417 1 14 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.220 -4.579 19954 9418 1 14 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.540 -2.601 19954 9419 1 14 . 1 1 151 151 ALA H H 151 7.710 7.710 8.698 -0.988 19954 9420 1 14 . 1 1 152 152 MET N N 152 118.250 118.250 116.771 1.479 19954 9421 1 14 . 1 1 152 152 MET HA H 152 4.262 4.262 4.062 0.200 19954 9422 1 14 . 1 1 152 152 MET CA C 152 53.482 53.482 58.915 -5.433 19954 9423 1 14 . 1 1 152 152 MET CB C 152 30.488 30.488 31.948 -1.460 19954 9424 1 14 . 1 1 152 152 MET H H 152 8.086 8.086 8.164 -0.078 19954 9425 1 14 . 1 1 153 153 ASP N N 153 121.780 121.780 118.070 3.710 19954 9426 1 14 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.518 -0.040 19954 9427 1 14 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.907 -5.282 19954 9428 1 14 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.845 -3.385 19954 9429 1 14 . 1 1 153 153 ASP H H 153 8.299 8.299 8.114 0.185 19954 9430 1 14 . 1 1 154 154 LEU N N 154 122.337 122.337 117.467 4.870 19954 9431 1 14 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.129 -0.021 19954 9432 1 14 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.792 -3.939 19954 9433 1 14 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.493 -1.777 19954 9434 1 14 . 1 1 154 154 LEU H H 154 8.072 8.072 7.786 0.286 19954 9435 1 14 . 1 1 155 155 GLU N N 155 119.995 119.995 119.207 0.788 19954 9436 1 14 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.229 -0.234 19954 9437 1 14 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.417 -3.118 19954 9438 1 14 . 1 1 155 155 GLU CB C 155 27.634 27.634 30.670 -3.036 19954 9439 1 14 . 1 1 155 155 GLU H H 155 8.151 8.151 7.874 0.277 19954 9440 1 14 . 1 1 156 156 HIS N N 156 118.980 118.980 117.199 1.781 19954 9441 1 14 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.770 -0.550 19954 9442 1 14 . 1 1 156 156 HIS CA C 156 53.443 53.443 55.428 -1.986 19954 9443 1 14 . 1 1 156 156 HIS H H 156 8.007 8.007 8.317 -0.310 19954 9444 1 14 . 1 1 157 157 HIS N N 157 121.956 121.956 119.478 2.478 19954 9445 1 14 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.325 0.086 19954 9446 1 14 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.562 -4.310 19954 9447 1 14 . 1 1 157 157 HIS H H 157 8.580 8.580 8.134 0.446 19954 9448 1 14 . 1 1 158 158 HIS N N 158 125.474 125.474 122.101 3.373 19954 9449 1 14 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.457 -0.829 19954 9450 1 14 . 1 1 158 158 HIS H H 158 7.906 7.906 8.522 -0.616 19954 9451 1 15 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.527 -0.212 19954 9452 1 15 . 1 1 4 4 ASP CA C 4 51.714 51.714 56.329 -4.615 19954 9453 1 15 . 1 1 5 5 ASP N N 5 120.880 120.880 116.463 4.417 19954 9454 1 15 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.943 -0.489 19954 9455 1 15 . 1 1 5 5 ASP CA C 5 52.575 52.575 52.665 -0.090 19954 9456 1 15 . 1 1 5 5 ASP CB C 5 38.724 38.724 40.257 -1.533 19954 9457 1 15 . 1 1 5 5 ASP H H 5 8.277 8.277 8.081 0.196 19954 9458 1 15 . 1 1 6 6 ASP N N 6 120.876 120.876 120.744 0.132 19954 9459 1 15 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.716 -0.234 19954 9460 1 15 . 1 1 6 6 ASP CA C 6 52.962 52.962 55.080 -2.118 19954 9461 1 15 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.343 -3.785 19954 9462 1 15 . 1 1 6 6 ASP H H 6 8.497 8.497 7.504 0.993 19954 9463 1 15 . 1 1 7 7 PHE N N 7 122.789 122.789 119.843 2.946 19954 9464 1 15 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.327 -0.218 19954 9465 1 15 . 1 1 7 7 PHE CA C 7 58.870 58.870 61.370 -2.499 19954 9466 1 15 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.301 -2.634 19954 9467 1 15 . 1 1 7 7 PHE H H 7 8.337 8.337 8.955 -0.618 19954 9468 1 15 . 1 1 8 8 GLN N N 8 116.255 116.255 119.288 -3.033 19954 9469 1 15 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.778 -0.029 19954 9470 1 15 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.866 -4.140 19954 9471 1 15 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.264 -3.476 19954 9472 1 15 . 1 1 8 8 GLN H H 8 8.488 8.488 8.733 -0.245 19954 9473 1 15 . 1 1 9 9 ASN N N 9 118.242 118.242 118.359 -0.117 19954 9474 1 15 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.324 -0.010 19954 9475 1 15 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.398 -2.824 19954 9476 1 15 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.460 -2.207 19954 9477 1 15 . 1 1 9 9 ASN H H 9 7.801 7.801 7.744 0.057 19954 9478 1 15 . 1 1 10 10 PHE N N 10 124.982 124.982 121.548 3.434 19954 9479 1 15 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.614 -0.160 19954 9480 1 15 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.058 -2.064 19954 9481 1 15 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.032 -2.997 19954 9482 1 15 . 1 1 10 10 PHE H H 10 6.924 6.924 6.988 -0.064 19954 9483 1 15 . 1 1 11 11 VAL N N 11 118.513 118.513 118.438 0.075 19954 9484 1 15 . 1 1 11 11 VAL HA H 11 2.834 2.834 2.979 -0.145 19954 9485 1 15 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.478 -2.247 19954 9486 1 15 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.294 -1.216 19954 9487 1 15 . 1 1 11 11 VAL H H 11 7.448 7.448 7.790 -0.342 19954 9488 1 15 . 1 1 12 12 ALA N N 12 119.214 119.214 121.131 -1.917 19954 9489 1 15 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.802 0.082 19954 9490 1 15 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.614 -3.188 19954 9491 1 15 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.923 -2.274 19954 9492 1 15 . 1 1 12 12 ALA H H 12 8.028 8.028 8.349 -0.321 19954 9493 1 15 . 1 1 13 13 THR N N 13 116.435 116.435 116.275 0.160 19954 9494 1 15 . 1 1 13 13 THR HA H 13 3.624 3.624 3.779 -0.155 19954 9495 1 15 . 1 1 13 13 THR CA C 13 64.041 64.041 66.723 -2.682 19954 9496 1 15 . 1 1 13 13 THR CB C 13 65.118 65.118 68.566 -3.448 19954 9497 1 15 . 1 1 13 13 THR H H 13 7.638 7.638 7.801 -0.163 19954 9498 1 15 . 1 1 14 14 LEU N N 14 126.284 126.284 121.634 4.650 19954 9499 1 15 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.550 0.080 19954 9500 1 15 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.895 -2.408 19954 9501 1 15 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.122 -2.270 19954 9502 1 15 . 1 1 14 14 LEU H H 14 7.975 7.975 7.436 0.539 19954 9503 1 15 . 1 1 15 15 GLU N N 15 116.145 116.145 118.297 -2.152 19954 9504 1 15 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.868 -0.051 19954 9505 1 15 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.701 -3.307 19954 9506 1 15 . 1 1 15 15 GLU CB C 15 26.908 26.908 28.992 -2.084 19954 9507 1 15 . 1 1 15 15 GLU H H 15 8.503 8.503 8.511 -0.008 19954 9508 1 15 . 1 1 16 16 SER N N 16 114.452 114.452 114.530 -0.078 19954 9509 1 15 . 1 1 16 16 SER HA H 16 4.196 4.196 4.214 -0.018 19954 9510 1 15 . 1 1 16 16 SER CA C 16 58.515 58.515 61.160 -2.644 19954 9511 1 15 . 1 1 16 16 SER CB C 16 60.155 60.155 62.870 -2.715 19954 9512 1 15 . 1 1 16 16 SER H H 16 7.643 7.643 8.028 -0.385 19954 9513 1 15 . 1 1 17 17 PHE N N 17 124.020 124.020 122.195 1.825 19954 9514 1 15 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.158 -0.334 19954 9515 1 15 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.849 -1.514 19954 9516 1 15 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.923 -2.069 19954 9517 1 15 . 1 1 17 17 PHE H H 17 8.082 8.082 8.097 -0.015 19954 9518 1 15 . 1 1 18 18 LYS N N 18 116.570 116.570 118.412 -1.842 19954 9519 1 15 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.002 -0.055 19954 9520 1 15 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.584 -1.729 19954 9521 1 15 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.975 -2.523 19954 9522 1 15 . 1 1 18 18 LYS H H 18 7.849 7.849 8.008 -0.159 19954 9523 1 15 . 1 1 19 19 ASP N N 19 116.332 116.332 119.393 -3.061 19954 9524 1 15 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.436 0.103 19954 9525 1 15 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.660 -3.503 19954 9526 1 15 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.084 -2.381 19954 9527 1 15 . 1 1 19 19 ASP H H 19 7.276 7.276 7.680 -0.404 19954 9528 1 15 . 1 1 20 20 LEU N N 20 119.769 119.769 120.399 -0.630 19954 9529 1 15 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.248 0.151 19954 9530 1 15 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.768 -3.769 19954 9531 1 15 . 1 1 20 20 LEU H H 20 7.226 7.226 7.521 -0.295 19954 9532 1 15 . 1 1 21 21 LYS N N 21 126.041 126.041 122.490 3.551 19954 9533 1 15 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.216 -0.153 19954 9534 1 15 . 1 1 21 21 LYS CA C 21 56.849 56.849 56.337 0.512 19954 9535 1 15 . 1 1 21 21 LYS CB C 21 31.634 31.634 29.903 1.731 19954 9536 1 15 . 1 1 21 21 LYS H H 21 9.203 9.203 8.598 0.605 19954 9537 1 15 . 1 1 22 22 SER N N 22 109.885 109.885 114.682 -4.797 19954 9538 1 15 . 1 1 22 22 SER HA H 22 4.322 4.322 4.079 0.243 19954 9539 1 15 . 1 1 22 22 SER CA C 22 55.254 55.254 58.574 -3.320 19954 9540 1 15 . 1 1 22 22 SER CB C 22 62.254 62.254 62.587 -0.333 19954 9541 1 15 . 1 1 22 22 SER H H 22 8.607 8.607 8.543 0.064 19954 9542 1 15 . 1 1 23 23 GLY N N 23 106.286 106.286 108.055 -1.769 19954 9543 1 15 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.992 -1.012 19954 9544 1 15 . 1 1 23 23 GLY H H 23 6.619 6.619 8.500 -1.881 19954 9545 1 15 . 1 1 24 24 ILE N N 24 118.883 118.883 119.179 -0.296 19954 9546 1 15 . 1 1 24 24 ILE HA H 24 3.984 3.984 3.211 0.773 19954 9547 1 15 . 1 1 24 24 ILE CA C 24 59.167 59.167 61.142 -1.976 19954 9548 1 15 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.112 2.534 19954 9549 1 15 . 1 1 24 24 ILE H H 24 7.929 7.929 7.963 -0.034 19954 9550 1 15 . 1 1 25 25 SER N N 25 117.952 117.952 117.979 -0.027 19954 9551 1 15 . 1 1 25 25 SER HA H 25 5.093 5.093 4.640 0.453 19954 9552 1 15 . 1 1 25 25 SER CA C 25 52.534 52.534 57.691 -5.157 19954 9553 1 15 . 1 1 25 25 SER CB C 25 61.938 61.938 64.356 -2.418 19954 9554 1 15 . 1 1 25 25 SER H H 25 5.660 5.660 8.276 -2.616 19954 9555 1 15 . 1 1 26 26 GLY N N 26 120.266 120.266 114.925 5.341 19954 9556 1 15 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.495 -2.009 19954 9557 1 15 . 1 1 26 26 GLY H H 26 8.596 8.596 9.103 -0.507 19954 9558 1 15 . 1 1 27 27 SER N N 27 120.500 120.500 116.666 3.834 19954 9559 1 15 . 1 1 27 27 SER HA H 27 4.410 4.410 4.134 0.276 19954 9560 1 15 . 1 1 27 27 SER CA C 27 58.793 58.793 62.292 -3.499 19954 9561 1 15 . 1 1 27 27 SER CB C 27 62.224 62.224 63.112 -0.888 19954 9562 1 15 . 1 1 27 27 SER H H 27 9.846 9.846 8.340 1.506 19954 9563 1 15 . 1 1 28 28 ARG N N 28 123.779 123.779 120.574 3.205 19954 9564 1 15 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.882 0.003 19954 9565 1 15 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.250 -2.410 19954 9566 1 15 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.531 -1.417 19954 9567 1 15 . 1 1 28 28 ARG H H 28 8.034 8.034 7.511 0.523 19954 9568 1 15 . 1 1 29 29 ILE N N 29 120.700 120.700 119.600 1.100 19954 9569 1 15 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.294 0.178 19954 9570 1 15 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.171 -0.543 19954 9571 1 15 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.340 -1.672 19954 9572 1 15 . 1 1 29 29 ILE H H 29 8.374 8.374 7.209 1.165 19954 9573 1 15 . 1 1 30 30 LYS N N 30 124.209 124.209 120.023 4.186 19954 9574 1 15 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.882 0.146 19954 9575 1 15 . 1 1 30 30 LYS CA C 30 57.401 57.401 59.893 -2.492 19954 9576 1 15 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.070 -2.790 19954 9577 1 15 . 1 1 30 30 LYS H H 30 8.231 8.231 8.061 0.170 19954 9578 1 15 . 1 1 31 31 LYS N N 31 120.422 120.422 119.291 1.131 19954 9579 1 15 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.018 0.020 19954 9580 1 15 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.011 -1.393 19954 9581 1 15 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.036 -1.867 19954 9582 1 15 . 1 1 31 31 LYS H H 31 7.449 7.449 7.758 -0.309 19954 9583 1 15 . 1 1 32 32 LEU N N 32 118.348 118.348 119.690 -1.342 19954 9584 1 15 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.152 -0.091 19954 9585 1 15 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.394 -2.984 19954 9586 1 15 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.477 -1.695 19954 9587 1 15 . 1 1 32 32 LEU H H 32 8.186 8.186 8.075 0.111 19954 9588 1 15 . 1 1 33 33 THR N N 33 116.500 116.500 115.270 1.230 19954 9589 1 15 . 1 1 33 33 THR HA H 33 3.662 3.662 3.981 -0.319 19954 9590 1 15 . 1 1 33 33 THR CA C 33 64.726 64.726 67.256 -2.530 19954 9591 1 15 . 1 1 33 33 THR CB C 33 66.097 66.097 68.046 -1.949 19954 9592 1 15 . 1 1 33 33 THR H H 33 8.066 8.066 8.357 -0.291 19954 9593 1 15 . 1 1 34 34 THR N N 34 119.029 119.029 118.286 0.743 19954 9594 1 15 . 1 1 34 34 THR HA H 34 3.759 3.759 3.921 -0.162 19954 9595 1 15 . 1 1 34 34 THR CA C 34 64.291 64.291 66.098 -1.807 19954 9596 1 15 . 1 1 34 34 THR CB C 34 66.733 66.733 68.701 -1.968 19954 9597 1 15 . 1 1 34 34 THR H H 34 8.685 8.685 8.036 0.649 19954 9598 1 15 . 1 1 35 35 TYR N N 35 120.298 120.298 122.685 -2.387 19954 9599 1 15 . 1 1 35 35 TYR HA H 35 4.202 4.202 3.911 0.291 19954 9600 1 15 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.788 -1.634 19954 9601 1 15 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.041 -2.031 19954 9602 1 15 . 1 1 35 35 TYR H H 35 7.663 7.663 8.238 -0.575 19954 9603 1 15 . 1 1 36 36 ALA N N 36 121.480 121.480 121.805 -0.325 19954 9604 1 15 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.805 0.107 19954 9605 1 15 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.986 -1.850 19954 9606 1 15 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.621 -3.748 19954 9607 1 15 . 1 1 36 36 ALA H H 36 8.543 8.543 8.277 0.266 19954 9608 1 15 . 1 1 37 37 LEU N N 37 120.767 120.767 117.562 3.205 19954 9609 1 15 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.945 0.158 19954 9610 1 15 . 1 1 37 37 LEU CA C 37 54.840 54.840 57.538 -2.698 19954 9611 1 15 . 1 1 37 37 LEU CB C 37 40.182 40.182 40.846 -0.664 19954 9612 1 15 . 1 1 37 37 LEU H H 37 8.351 8.351 8.093 0.258 19954 9613 1 15 . 1 1 38 38 ASP N N 38 119.008 119.008 117.755 1.253 19954 9614 1 15 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.245 0.211 19954 9615 1 15 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.022 -3.882 19954 9616 1 15 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.101 -2.202 19954 9617 1 15 . 1 1 38 38 ASP H H 38 7.557 7.557 8.100 -0.543 19954 9618 1 15 . 1 1 39 39 HIS N N 39 118.142 118.142 117.466 0.676 19954 9619 1 15 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.643 -0.018 19954 9620 1 15 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.401 -2.255 19954 9621 1 15 . 1 1 39 39 HIS CB C 39 25.506 25.506 30.080 -4.574 19954 9622 1 15 . 1 1 39 39 HIS H H 39 7.094 7.094 7.577 -0.483 19954 9623 1 15 . 1 1 40 40 ILE N N 40 121.885 121.885 122.357 -0.472 19954 9624 1 15 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.872 -0.446 19954 9625 1 15 . 1 1 40 40 ILE CA C 40 62.593 62.593 60.780 1.813 19954 9626 1 15 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.376 -1.203 19954 9627 1 15 . 1 1 40 40 ILE H H 40 7.630 7.630 8.264 -0.634 19954 9628 1 15 . 1 1 41 41 ASP N N 41 114.814 114.814 118.088 -3.274 19954 9629 1 15 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.566 -0.380 19954 9630 1 15 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.264 -0.248 19954 9631 1 15 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.481 -3.645 19954 9632 1 15 . 1 1 41 41 ASP H H 41 8.433 8.433 8.480 -0.047 19954 9633 1 15 . 1 1 42 42 ILE N N 42 113.793 113.793 112.544 1.249 19954 9634 1 15 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.596 0.116 19954 9635 1 15 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.279 -2.038 19954 9636 1 15 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.334 -3.438 19954 9637 1 15 . 1 1 42 42 ILE H H 42 7.447 7.447 7.248 0.199 19954 9638 1 15 . 1 1 43 43 GLU N N 43 120.845 120.845 122.794 -1.949 19954 9639 1 15 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.149 -0.103 19954 9640 1 15 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.676 -2.908 19954 9641 1 15 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.783 -4.766 19954 9642 1 15 . 1 1 43 43 GLU H H 43 8.195 8.195 8.111 0.084 19954 9643 1 15 . 1 1 44 44 SER N N 44 113.781 113.781 116.101 -2.320 19954 9644 1 15 . 1 1 44 44 SER HA H 44 3.944 3.944 4.141 -0.197 19954 9645 1 15 . 1 1 44 44 SER CA C 44 59.590 59.590 62.198 -2.608 19954 9646 1 15 . 1 1 44 44 SER CB C 44 59.878 59.878 62.930 -3.052 19954 9647 1 15 . 1 1 44 44 SER H H 44 8.728 8.728 8.539 0.189 19954 9648 1 15 . 1 1 45 45 LYS N N 45 121.258 121.258 120.074 1.184 19954 9649 1 15 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.072 0.008 19954 9650 1 15 . 1 1 45 45 LYS CA C 45 56.190 56.190 59.000 -2.810 19954 9651 1 15 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.600 -1.123 19954 9652 1 15 . 1 1 45 45 LYS H H 45 7.329 7.329 8.410 -1.081 19954 9653 1 15 . 1 1 46 46 ILE N N 46 121.022 121.022 121.650 -0.628 19954 9654 1 15 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.869 -0.506 19954 9655 1 15 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.113 -1.856 19954 9656 1 15 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.708 -0.816 19954 9657 1 15 . 1 1 46 46 ILE H H 46 7.360 7.360 8.016 -0.656 19954 9658 1 15 . 1 1 47 47 ILE N N 47 118.543 118.543 119.382 -0.839 19954 9659 1 15 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.606 0.133 19954 9660 1 15 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.198 -5.541 19954 9661 1 15 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.429 -4.301 19954 9662 1 15 . 1 1 47 47 ILE H H 47 9.378 9.378 8.205 1.173 19954 9663 1 15 . 1 1 48 48 SER N N 48 113.001 113.001 115.585 -2.584 19954 9664 1 15 . 1 1 48 48 SER HA H 48 4.016 4.016 4.147 -0.131 19954 9665 1 15 . 1 1 48 48 SER CA C 48 59.574 59.574 62.240 -2.666 19954 9666 1 15 . 1 1 48 48 SER CB C 48 60.341 60.341 63.280 -2.939 19954 9667 1 15 . 1 1 48 48 SER H H 48 7.382 7.382 8.692 -1.310 19954 9668 1 15 . 1 1 49 49 LEU N N 49 120.059 120.059 123.322 -3.263 19954 9669 1 15 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.172 -0.002 19954 9670 1 15 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.371 -2.705 19954 9671 1 15 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.080 -2.330 19954 9672 1 15 . 1 1 49 49 LEU H H 49 7.477 7.477 8.291 -0.814 19954 9673 1 15 . 1 1 50 50 ILE N N 50 115.429 115.429 117.546 -2.117 19954 9674 1 15 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.548 0.545 19954 9675 1 15 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.112 -2.308 19954 9676 1 15 . 1 1 50 50 ILE H H 50 8.081 8.081 7.893 0.188 19954 9677 1 15 . 1 1 51 51 ILE N N 51 125.106 125.106 122.410 2.696 19954 9678 1 15 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.640 -0.185 19954 9679 1 15 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.063 -1.915 19954 9680 1 15 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.769 -2.050 19954 9681 1 15 . 1 1 51 51 ILE H H 51 8.194 8.194 8.251 -0.057 19954 9682 1 15 . 1 1 52 52 ASP N N 52 119.519 119.519 119.323 0.196 19954 9683 1 15 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.303 -0.059 19954 9684 1 15 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.337 -3.353 19954 9685 1 15 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.028 -3.163 19954 9686 1 15 . 1 1 52 52 ASP H H 52 7.850 7.850 8.195 -0.345 19954 9687 1 15 . 1 1 53 53 TYR N N 53 118.402 118.402 120.442 -2.040 19954 9688 1 15 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.002 -0.110 19954 9689 1 15 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.270 -1.525 19954 9690 1 15 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.505 -2.641 19954 9691 1 15 . 1 1 53 53 TYR H H 53 8.260 8.260 8.789 -0.529 19954 9692 1 15 . 1 1 54 54 SER N N 54 111.626 111.626 116.703 -5.077 19954 9693 1 15 . 1 1 54 54 SER HA H 54 4.058 4.058 3.896 0.162 19954 9694 1 15 . 1 1 54 54 SER CA C 54 58.733 58.733 61.132 -2.399 19954 9695 1 15 . 1 1 54 54 SER CB C 54 62.430 62.430 63.626 -1.196 19954 9696 1 15 . 1 1 54 54 SER H H 54 7.316 7.316 8.224 -0.908 19954 9697 1 15 . 1 1 55 55 ARG N N 55 114.937 114.937 120.840 -5.903 19954 9698 1 15 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.622 0.550 19954 9699 1 15 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.724 -1.451 19954 9700 1 15 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.425 -1.175 19954 9701 1 15 . 1 1 55 55 ARG H H 55 7.901 7.901 7.519 0.382 19954 9702 1 15 . 1 1 56 56 LEU N N 56 116.307 116.307 118.949 -2.642 19954 9703 1 15 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.029 0.174 19954 9704 1 15 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.594 -3.794 19954 9705 1 15 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.109 -1.241 19954 9706 1 15 . 1 1 56 56 LEU H H 56 7.802 7.802 7.784 0.018 19954 9707 1 15 . 1 1 57 57 CYS N N 57 119.062 119.062 117.633 1.429 19954 9708 1 15 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.250 -0.010 19954 9709 1 15 . 1 1 57 57 CYS CA C 57 53.750 53.750 59.066 -5.316 19954 9710 1 15 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.737 -5.661 19954 9711 1 15 . 1 1 57 57 CYS H H 57 7.717 7.717 7.412 0.305 19954 9712 1 15 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.392 -0.047 19954 9713 1 15 . 1 1 58 58 PRO CA C 58 60.482 60.482 64.976 -4.494 19954 9714 1 15 . 1 1 58 58 PRO CB C 58 30.160 30.160 31.944 -1.784 19954 9715 1 15 . 1 1 59 59 ASP N N 59 123.671 123.671 117.151 6.520 19954 9716 1 15 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.270 -0.353 19954 9717 1 15 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.024 -2.210 19954 9718 1 15 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.496 -2.572 19954 9719 1 15 . 1 1 59 59 ASP H H 59 8.696 8.696 8.692 0.004 19954 9720 1 15 . 1 1 60 60 SER N N 60 110.600 110.600 116.070 -5.470 19954 9721 1 15 . 1 1 60 60 SER HA H 60 4.103 4.103 3.847 0.256 19954 9722 1 15 . 1 1 60 60 SER CA C 60 57.379 57.379 61.307 -3.928 19954 9723 1 15 . 1 1 60 60 SER CB C 60 61.562 61.562 62.488 -0.926 19954 9724 1 15 . 1 1 60 60 SER H H 60 8.119 8.119 8.499 -0.380 19954 9725 1 15 . 1 1 61 61 HIS N N 61 122.391 122.391 120.364 2.027 19954 9726 1 15 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.106 0.527 19954 9727 1 15 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.877 -4.163 19954 9728 1 15 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.250 0.692 19954 9729 1 15 . 1 1 61 61 HIS H H 61 8.123 8.123 8.553 -0.430 19954 9730 1 15 . 1 1 62 62 LYS N N 62 121.665 121.665 118.957 2.708 19954 9731 1 15 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.249 0.446 19954 9732 1 15 . 1 1 62 62 LYS CA C 62 55.760 55.760 58.835 -3.075 19954 9733 1 15 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.588 -1.292 19954 9734 1 15 . 1 1 62 62 LYS H H 62 7.512 7.512 6.744 0.768 19954 9735 1 15 . 1 1 63 63 LEU N N 63 117.792 117.792 119.887 -2.095 19954 9736 1 15 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.703 -0.245 19954 9737 1 15 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.120 -0.494 19954 9738 1 15 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.082 -3.033 19954 9739 1 15 . 1 1 63 63 LEU H H 63 8.136 8.136 7.173 0.963 19954 9740 1 15 . 1 1 64 64 GLY N N 64 105.340 105.340 105.640 -0.300 19954 9741 1 15 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.938 -2.391 19954 9742 1 15 . 1 1 64 64 GLY H H 64 8.616 8.616 8.489 0.127 19954 9743 1 15 . 1 1 65 65 SER N N 65 117.745 117.745 118.602 -0.857 19954 9744 1 15 . 1 1 65 65 SER HA H 65 4.265 4.265 4.410 -0.145 19954 9745 1 15 . 1 1 65 65 SER CA C 65 58.998 58.998 61.679 -2.681 19954 9746 1 15 . 1 1 65 65 SER CB C 65 67.350 67.350 63.017 4.333 19954 9747 1 15 . 1 1 65 65 SER H H 65 7.894 7.894 8.006 -0.112 19954 9748 1 15 . 1 1 66 66 LEU N N 66 124.161 124.161 122.868 1.293 19954 9749 1 15 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.017 0.284 19954 9750 1 15 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.142 -4.087 19954 9751 1 15 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.697 -3.590 19954 9752 1 15 . 1 1 66 66 LEU H H 66 7.407 7.407 7.539 -0.132 19954 9753 1 15 . 1 1 67 67 TYR N N 67 121.466 121.466 117.222 4.244 19954 9754 1 15 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.246 0.298 19954 9755 1 15 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.300 -6.861 19954 9756 1 15 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.478 -3.297 19954 9757 1 15 . 1 1 67 67 TYR H H 67 8.001 8.001 7.827 0.174 19954 9758 1 15 . 1 1 68 68 ILE N N 68 121.357 121.357 121.085 0.272 19954 9759 1 15 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.645 -0.410 19954 9760 1 15 . 1 1 68 68 ILE CA C 68 64.382 64.382 65.845 -1.463 19954 9761 1 15 . 1 1 68 68 ILE CB C 68 36.080 36.080 38.054 -1.974 19954 9762 1 15 . 1 1 68 68 ILE H H 68 7.811 7.811 8.163 -0.352 19954 9763 1 15 . 1 1 69 69 ILE N N 69 117.955 117.955 119.019 -1.064 19954 9764 1 15 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.522 -0.173 19954 9765 1 15 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.865 -2.453 19954 9766 1 15 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.522 -1.603 19954 9767 1 15 . 1 1 69 69 ILE H H 69 6.886 6.886 8.550 -1.664 19954 9768 1 15 . 1 1 70 70 ASP N N 70 118.932 118.932 121.118 -2.186 19954 9769 1 15 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.598 -0.202 19954 9770 1 15 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.577 -2.542 19954 9771 1 15 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.399 0.190 19954 9772 1 15 . 1 1 70 70 ASP H H 70 9.100 9.100 8.405 0.695 19954 9773 1 15 . 1 1 71 71 SER N N 71 110.354 110.354 117.097 -6.743 19954 9774 1 15 . 1 1 71 71 SER HA H 71 4.104 4.104 4.167 -0.063 19954 9775 1 15 . 1 1 71 71 SER CA C 71 58.746 58.746 61.555 -2.809 19954 9776 1 15 . 1 1 71 71 SER CB C 71 61.136 61.136 62.914 -1.778 19954 9777 1 15 . 1 1 71 71 SER H H 71 7.938 7.938 8.082 -0.144 19954 9778 1 15 . 1 1 72 72 ILE N N 72 117.565 117.565 122.282 -4.717 19954 9779 1 15 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.559 -0.294 19954 9780 1 15 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.827 -1.178 19954 9781 1 15 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.251 -1.487 19954 9782 1 15 . 1 1 72 72 ILE H H 72 7.912 7.912 7.749 0.163 19954 9783 1 15 . 1 1 73 73 GLY N N 73 107.350 107.350 107.446 -0.096 19954 9784 1 15 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.922 -2.175 19954 9785 1 15 . 1 1 73 73 GLY H H 73 8.847 8.847 8.423 0.424 19954 9786 1 15 . 1 1 74 74 ARG N N 74 118.068 118.068 122.500 -4.432 19954 9787 1 15 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.802 0.148 19954 9788 1 15 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.613 -0.441 19954 9789 1 15 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.132 -2.460 19954 9790 1 15 . 1 1 74 74 ARG H H 74 8.705 8.705 8.023 0.682 19954 9791 1 15 . 1 1 75 75 ALA N N 75 123.817 123.817 122.100 1.717 19954 9792 1 15 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.990 0.226 19954 9793 1 15 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.245 -2.383 19954 9794 1 15 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.446 -3.045 19954 9795 1 15 . 1 1 75 75 ALA H H 75 7.673 7.673 7.865 -0.192 19954 9796 1 15 . 1 1 76 76 TYR N N 76 119.918 119.918 119.577 0.341 19954 9797 1 15 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.201 0.336 19954 9798 1 15 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.162 -5.069 19954 9799 1 15 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.567 -3.764 19954 9800 1 15 . 1 1 76 76 TYR H H 76 8.659 8.659 8.588 0.071 19954 9801 1 15 . 1 1 77 77 LEU N N 77 123.387 123.387 120.162 3.225 19954 9802 1 15 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.820 -0.006 19954 9803 1 15 . 1 1 77 77 LEU CA C 77 55.175 55.175 57.922 -2.747 19954 9804 1 15 . 1 1 77 77 LEU CB C 77 39.874 39.874 40.655 -0.781 19954 9805 1 15 . 1 1 77 77 LEU H H 77 8.756 8.756 8.577 0.179 19954 9806 1 15 . 1 1 78 78 ASP N N 78 120.181 120.181 118.481 1.700 19954 9807 1 15 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.225 0.070 19954 9808 1 15 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.719 -2.917 19954 9809 1 15 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.552 -2.729 19954 9810 1 15 . 1 1 78 78 ASP H H 78 7.891 7.891 8.104 -0.213 19954 9811 1 15 . 1 1 79 79 GLU N N 79 120.503 120.503 119.274 1.229 19954 9812 1 15 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.992 0.026 19954 9813 1 15 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.087 -2.613 19954 9814 1 15 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.144 -1.940 19954 9815 1 15 . 1 1 79 79 GLU H H 79 7.502 7.502 8.167 -0.665 19954 9816 1 15 . 1 1 80 80 THR N N 80 111.013 111.013 114.525 -3.512 19954 9817 1 15 . 1 1 80 80 THR HA H 80 4.151 4.151 4.287 -0.136 19954 9818 1 15 . 1 1 80 80 THR CA C 80 61.984 61.984 64.518 -2.534 19954 9819 1 15 . 1 1 80 80 THR CB C 80 67.420 67.420 68.799 -1.379 19954 9820 1 15 . 1 1 80 80 THR H H 80 7.883 7.883 7.740 0.143 19954 9821 1 15 . 1 1 81 81 ARG N N 81 120.172 120.172 120.862 -0.690 19954 9822 1 15 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.102 -0.023 19954 9823 1 15 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.550 -3.413 19954 9824 1 15 . 1 1 81 81 ARG H H 81 7.471 7.471 8.249 -0.778 19954 9825 1 15 . 1 1 82 82 SER N N 82 113.571 113.571 115.339 -1.768 19954 9826 1 15 . 1 1 82 82 SER HA H 82 4.329 4.329 4.198 0.131 19954 9827 1 15 . 1 1 82 82 SER CA C 82 56.193 56.193 60.798 -4.605 19954 9828 1 15 . 1 1 82 82 SER CB C 82 72.312 72.312 63.624 8.688 19954 9829 1 15 . 1 1 82 82 SER H H 82 7.744 7.744 8.162 -0.418 19954 9830 1 15 . 1 1 83 83 ASN N N 83 119.990 119.990 115.567 4.423 19954 9831 1 15 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.769 -0.027 19954 9832 1 15 . 1 1 83 83 ASN CA C 83 50.163 50.163 52.986 -2.823 19954 9833 1 15 . 1 1 83 83 ASN H H 83 7.792 7.792 7.536 0.256 19954 9834 1 15 . 1 1 84 84 SER N N 84 116.799 116.799 113.413 3.386 19954 9835 1 15 . 1 1 84 84 SER HA H 84 4.291 4.291 4.059 0.232 19954 9836 1 15 . 1 1 84 84 SER CA C 84 56.325 56.325 59.170 -2.845 19954 9837 1 15 . 1 1 84 84 SER H H 84 8.352 8.352 8.549 -0.197 19954 9838 1 15 . 1 1 85 85 ASN N N 85 120.087 120.087 119.909 0.178 19954 9839 1 15 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.915 -0.248 19954 9840 1 15 . 1 1 85 85 ASN CA C 85 50.808 50.808 53.310 -2.502 19954 9841 1 15 . 1 1 85 85 ASN H H 85 8.362 8.362 8.141 0.221 19954 9842 1 15 . 1 1 86 86 SER N N 86 116.068 116.068 117.430 -1.362 19954 9843 1 15 . 1 1 86 86 SER HA H 86 4.362 4.362 4.626 -0.264 19954 9844 1 15 . 1 1 86 86 SER CA C 86 55.853 55.853 58.300 -2.447 19954 9845 1 15 . 1 1 86 86 SER H H 86 8.102 8.102 8.420 -0.318 19954 9846 1 15 . 1 1 87 87 SER N N 87 117.615 117.615 116.044 1.571 19954 9847 1 15 . 1 1 87 87 SER HA H 87 4.302 4.302 4.841 -0.539 19954 9848 1 15 . 1 1 87 87 SER CA C 87 55.608 55.608 57.941 -2.333 19954 9849 1 15 . 1 1 87 87 SER H H 87 8.269 8.269 8.382 -0.113 19954 9850 1 15 . 1 1 88 88 SER N N 88 122.455 122.455 116.943 5.512 19954 9851 1 15 . 1 1 88 88 SER CA C 88 53.710 53.710 58.589 -4.879 19954 9852 1 15 . 1 1 88 88 SER H H 88 8.377 8.377 7.867 0.510 19954 9853 1 15 . 1 1 89 89 ASN N N 89 115.430 115.430 119.803 -4.373 19954 9854 1 15 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.053 5.846 19954 9855 1 15 . 1 1 89 89 ASN H H 89 8.141 8.141 8.293 -0.152 19954 9856 1 15 . 1 1 90 90 LYS N N 90 128.071 128.071 119.339 8.732 19954 9857 1 15 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.478 -1.097 19954 9858 1 15 . 1 1 90 90 LYS H H 90 7.961 7.961 8.465 -0.504 19954 9859 1 15 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.081 -0.676 19954 9860 1 15 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.316 -1.695 19954 9861 1 15 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.517 -3.824 19954 9862 1 15 . 1 1 92 92 GLY N N 92 112.403 112.403 105.090 7.313 19954 9863 1 15 . 1 1 92 92 GLY CA C 92 43.305 43.305 45.828 -2.523 19954 9864 1 15 . 1 1 92 92 GLY H H 92 10.139 10.139 8.397 1.742 19954 9865 1 15 . 1 1 93 93 THR N N 93 106.254 106.254 111.404 -5.150 19954 9866 1 15 . 1 1 93 93 THR HA H 93 4.527 4.527 5.060 -0.533 19954 9867 1 15 . 1 1 93 93 THR CA C 93 56.663 56.663 60.230 -3.567 19954 9868 1 15 . 1 1 93 93 THR CB C 93 70.927 70.927 70.621 0.306 19954 9869 1 15 . 1 1 93 93 THR H H 93 7.180 7.180 7.307 -0.127 19954 9870 1 15 . 1 1 94 94 CYS N N 94 121.465 121.465 119.783 1.682 19954 9871 1 15 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.856 -0.406 19954 9872 1 15 . 1 1 94 94 CYS CA C 94 60.867 60.867 64.229 -3.362 19954 9873 1 15 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.276 -2.030 19954 9874 1 15 . 1 1 94 94 CYS H H 94 8.777 8.777 8.547 0.230 19954 9875 1 15 . 1 1 95 95 ALA N N 95 119.619 119.619 122.120 -2.501 19954 9876 1 15 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.833 0.009 19954 9877 1 15 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.778 -3.033 19954 9878 1 15 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.736 -2.032 19954 9879 1 15 . 1 1 95 95 ALA H H 95 8.392 8.392 8.481 -0.089 19954 9880 1 15 . 1 1 96 96 HIS N N 96 118.081 118.081 119.270 -1.189 19954 9881 1 15 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.208 -0.002 19954 9882 1 15 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.379 -1.688 19954 9883 1 15 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.605 -2.522 19954 9884 1 15 . 1 1 96 96 HIS H H 96 7.631 7.631 8.450 -0.819 19954 9885 1 15 . 1 1 97 97 ALA N N 97 123.652 123.652 122.880 0.772 19954 9886 1 15 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.221 -0.280 19954 9887 1 15 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.416 -2.258 19954 9888 1 15 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.605 -0.941 19954 9889 1 15 . 1 1 97 97 ALA H H 97 7.347 7.347 7.885 -0.538 19954 9890 1 15 . 1 1 98 98 ILE N N 98 115.278 115.278 118.784 -3.506 19954 9891 1 15 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.436 0.088 19954 9892 1 15 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.252 -3.269 19954 9893 1 15 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.601 -1.934 19954 9894 1 15 . 1 1 98 98 ILE H H 98 7.916 7.916 8.591 -0.675 19954 9895 1 15 . 1 1 99 99 ASN N N 99 120.684 120.684 118.633 2.051 19954 9896 1 15 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.385 0.019 19954 9897 1 15 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.480 -2.341 19954 9898 1 15 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.112 -1.867 19954 9899 1 15 . 1 1 99 99 ASN H H 99 7.978 7.978 7.944 0.034 19954 9900 1 15 . 1 1 100 100 THR N N 100 117.791 117.791 117.039 0.752 19954 9901 1 15 . 1 1 100 100 THR HA H 100 3.630 3.630 3.926 -0.296 19954 9902 1 15 . 1 1 100 100 THR CA C 100 63.899 63.899 66.357 -2.458 19954 9903 1 15 . 1 1 100 100 THR CB C 100 66.038 66.038 68.721 -2.683 19954 9904 1 15 . 1 1 100 100 THR H H 100 8.295 8.295 8.113 0.182 19954 9905 1 15 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.956 -0.238 19954 9906 1 15 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.127 -3.702 19954 9907 1 15 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.638 -0.450 19954 9908 1 15 . 1 1 101 101 LEU H H 101 7.825 7.825 8.447 -0.622 19954 9909 1 15 . 1 1 102 102 GLY N N 102 105.767 105.767 103.926 1.841 19954 9910 1 15 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.787 -1.446 19954 9911 1 15 . 1 1 102 102 GLY H H 102 8.591 8.591 8.397 0.194 19954 9912 1 15 . 1 1 103 103 GLU N N 103 116.366 116.366 119.581 -3.215 19954 9913 1 15 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.362 -0.295 19954 9914 1 15 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.718 -2.272 19954 9915 1 15 . 1 1 103 103 GLU CB C 103 27.377 27.377 29.982 -2.604 19954 9916 1 15 . 1 1 103 103 GLU H H 103 7.471 7.471 7.913 -0.442 19954 9917 1 15 . 1 1 104 104 VAL N N 104 108.377 108.377 111.684 -3.307 19954 9918 1 15 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.510 0.246 19954 9919 1 15 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.391 -4.536 19954 9920 1 15 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.761 -2.883 19954 9921 1 15 . 1 1 104 104 VAL H H 104 7.016 7.016 7.753 -0.737 19954 9922 1 15 . 1 1 105 105 ILE N N 105 123.784 123.784 122.629 1.155 19954 9923 1 15 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.682 0.072 19954 9924 1 15 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.255 -5.855 19954 9925 1 15 . 1 1 105 105 ILE CB C 105 35.411 35.411 38.021 -2.610 19954 9926 1 15 . 1 1 105 105 ILE H H 105 7.197 7.197 8.714 -1.517 19954 9927 1 15 . 1 1 106 106 GLN N N 106 121.117 121.117 118.470 2.647 19954 9928 1 15 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.934 -0.279 19954 9929 1 15 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.148 -0.813 19954 9930 1 15 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.306 -0.414 19954 9931 1 15 . 1 1 106 106 GLN H H 106 8.549 8.549 8.671 -0.122 19954 9932 1 15 . 1 1 107 107 GLU N N 107 122.716 122.716 121.954 0.762 19954 9933 1 15 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.093 -0.256 19954 9934 1 15 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.685 -2.097 19954 9935 1 15 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.871 -2.337 19954 9936 1 15 . 1 1 107 107 GLU H H 107 7.762 7.762 8.091 -0.329 19954 9937 1 15 . 1 1 108 108 LEU N N 108 116.615 116.615 121.368 -4.753 19954 9938 1 15 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.050 -0.071 19954 9939 1 15 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.887 -3.093 19954 9940 1 15 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.692 -3.195 19954 9941 1 15 . 1 1 108 108 LEU H H 108 8.016 8.016 7.617 0.399 19954 9942 1 15 . 1 1 109 109 LEU N N 109 118.708 118.708 119.125 -0.417 19954 9943 1 15 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.839 0.001 19954 9944 1 15 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.944 -3.218 19954 9945 1 15 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.738 -0.416 19954 9946 1 15 . 1 1 109 109 LEU H H 109 8.801 8.801 8.585 0.216 19954 9947 1 15 . 1 1 110 110 SER N N 110 114.083 114.083 114.506 -0.423 19954 9948 1 15 . 1 1 110 110 SER HA H 110 3.848 3.848 3.894 -0.046 19954 9949 1 15 . 1 1 110 110 SER CA C 110 60.127 60.127 61.908 -1.781 19954 9950 1 15 . 1 1 110 110 SER CB C 110 60.300 60.300 61.820 -1.520 19954 9951 1 15 . 1 1 110 110 SER H H 110 8.161 8.161 8.258 -0.097 19954 9952 1 15 . 1 1 111 111 ASP N N 111 120.151 120.151 123.499 -3.348 19954 9953 1 15 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.251 0.091 19954 9954 1 15 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.571 -2.804 19954 9955 1 15 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.360 -0.616 19954 9956 1 15 . 1 1 111 111 ASP H H 111 7.614 7.614 8.024 -0.410 19954 9957 1 15 . 1 1 112 112 ALA N N 112 116.927 116.927 122.502 -5.575 19954 9958 1 15 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.827 -0.238 19954 9959 1 15 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.304 -2.582 19954 9960 1 15 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.535 -0.888 19954 9961 1 15 . 1 1 112 112 ALA H H 112 7.662 7.662 7.914 -0.252 19954 9962 1 15 . 1 1 113 113 ILE N N 113 119.039 119.039 119.147 -0.108 19954 9963 1 15 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.687 -0.460 19954 9964 1 15 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.683 -1.003 19954 9965 1 15 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.425 -1.266 19954 9966 1 15 . 1 1 113 113 ILE H H 113 8.681 8.681 8.374 0.307 19954 9967 1 15 . 1 1 114 114 ALA N N 114 120.055 120.055 122.709 -2.654 19954 9968 1 15 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.922 -0.015 19954 9969 1 15 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.693 -2.104 19954 9970 1 15 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.309 -2.178 19954 9971 1 15 . 1 1 114 114 ALA H H 114 7.716 7.716 8.231 -0.515 19954 9972 1 15 . 1 1 115 115 LYS N N 115 113.845 113.845 118.619 -4.774 19954 9973 1 15 . 1 1 115 115 LYS HA H 115 4.083 4.083 3.985 0.098 19954 9974 1 15 . 1 1 115 115 LYS CA C 115 53.955 53.955 58.272 -4.317 19954 9975 1 15 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.804 -1.171 19954 9976 1 15 . 1 1 115 115 LYS H H 115 7.248 7.248 8.029 -0.781 19954 9977 1 15 . 1 1 116 116 SER N N 116 115.794 115.794 113.254 2.540 19954 9978 1 15 . 1 1 116 116 SER HA H 116 4.503 4.503 4.236 0.267 19954 9979 1 15 . 1 1 116 116 SER CA C 116 57.848 57.848 59.376 -1.528 19954 9980 1 15 . 1 1 116 116 SER CB C 116 63.380 63.380 63.602 -0.222 19954 9981 1 15 . 1 1 116 116 SER H H 116 7.124 7.124 7.930 -0.806 19954 9982 1 15 . 1 1 117 117 ASN N N 117 119.747 119.747 122.165 -2.418 19954 9983 1 15 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.616 -0.094 19954 9984 1 15 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.401 -3.059 19954 9985 1 15 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.206 -3.924 19954 9986 1 15 . 1 1 117 117 ASN H H 117 8.457 8.457 8.007 0.450 19954 9987 1 15 . 1 1 118 118 GLN N N 118 117.591 117.591 118.539 -0.948 19954 9988 1 15 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.901 -0.124 19954 9989 1 15 . 1 1 118 118 GLN CA C 118 57.184 57.184 59.484 -2.300 19954 9990 1 15 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.154 3.386 19954 9991 1 15 . 1 1 118 118 GLN H H 118 8.418 8.418 8.635 -0.217 19954 9992 1 15 . 1 1 119 119 ASP N N 119 119.281 119.281 119.270 0.011 19954 9993 1 15 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.385 -0.095 19954 9994 1 15 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.859 -3.267 19954 9995 1 15 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.144 -1.241 19954 9996 1 15 . 1 1 119 119 ASP H H 119 7.973 7.973 8.447 -0.474 19954 9997 1 15 . 1 1 120 120 HIS N N 120 118.871 118.871 118.542 0.329 19954 9998 1 15 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.044 0.296 19954 9999 1 15 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.662 -2.904 19954 10000 1 15 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.623 -1.895 19954 10001 1 15 . 1 1 120 120 HIS H H 120 8.702 8.702 8.301 0.401 19954 10002 1 15 . 1 1 121 121 LYS N N 121 120.739 120.739 119.297 1.442 19954 10003 1 15 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.949 -0.181 19954 10004 1 15 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.228 0.457 19954 10005 1 15 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.407 -0.483 19954 10006 1 15 . 1 1 121 121 LYS H H 121 8.990 8.990 8.662 0.328 19954 10007 1 15 . 1 1 122 122 GLU N N 122 117.889 117.889 120.260 -2.371 19954 10008 1 15 . 1 1 122 122 GLU HA H 122 4.062 4.062 3.882 0.180 19954 10009 1 15 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.713 -3.608 19954 10010 1 15 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.525 -2.834 19954 10011 1 15 . 1 1 122 122 GLU H H 122 7.615 7.615 7.748 -0.133 19954 10012 1 15 . 1 1 123 123 LYS N N 123 119.139 119.139 117.915 1.224 19954 10013 1 15 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.118 -0.159 19954 10014 1 15 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.599 -1.997 19954 10015 1 15 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.950 -1.727 19954 10016 1 15 . 1 1 123 123 LYS H H 123 7.550 7.550 7.643 -0.093 19954 10017 1 15 . 1 1 124 124 ILE N N 124 123.103 123.103 119.448 3.655 19954 10018 1 15 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.506 -0.280 19954 10019 1 15 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.443 -1.759 19954 10020 1 15 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.427 -2.684 19954 10021 1 15 . 1 1 124 124 ILE H H 124 8.356 8.356 7.739 0.617 19954 10022 1 15 . 1 1 125 125 ARG N N 125 122.162 122.162 120.587 1.575 19954 10023 1 15 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.930 -0.824 19954 10024 1 15 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.457 -1.433 19954 10025 1 15 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.121 1.850 19954 10026 1 15 . 1 1 125 125 ARG H H 125 7.988 7.988 7.974 0.014 19954 10027 1 15 . 1 1 126 126 MET N N 126 115.215 115.215 116.721 -1.506 19954 10028 1 15 . 1 1 126 126 MET HA H 126 3.973 3.973 4.062 -0.089 19954 10029 1 15 . 1 1 126 126 MET CA C 126 55.896 55.896 58.830 -2.933 19954 10030 1 15 . 1 1 126 126 MET CB C 126 29.856 29.856 32.035 -2.179 19954 10031 1 15 . 1 1 126 126 MET H H 126 7.455 7.455 7.839 -0.384 19954 10032 1 15 . 1 1 127 127 LEU N N 127 122.351 122.351 121.595 0.756 19954 10033 1 15 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.833 -0.281 19954 10034 1 15 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.748 -2.961 19954 10035 1 15 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.212 -1.934 19954 10036 1 15 . 1 1 127 127 LEU H H 127 7.479 7.479 7.893 -0.414 19954 10037 1 15 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.646 0.237 19954 10038 1 15 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.585 -3.238 19954 10039 1 15 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.460 -2.651 19954 10040 1 15 . 1 1 128 128 LEU H H 128 7.841 7.841 7.977 -0.136 19954 10041 1 15 . 1 1 129 129 ASP N N 129 116.915 116.915 119.671 -2.756 19954 10042 1 15 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.383 0.004 19954 10043 1 15 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.411 -4.812 19954 10044 1 15 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.738 -2.872 19954 10045 1 15 . 1 1 129 129 ASP H H 129 7.034 7.034 7.842 -0.808 19954 10046 1 15 . 1 1 130 130 ILE N N 130 124.155 124.155 120.050 4.105 19954 10047 1 15 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.675 -0.032 19954 10048 1 15 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.123 -1.747 19954 10049 1 15 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.753 -2.969 19954 10050 1 15 . 1 1 130 130 ILE H H 130 7.671 7.671 7.676 -0.005 19954 10051 1 15 . 1 1 131 131 TRP N N 131 125.421 125.421 120.391 5.030 19954 10052 1 15 . 1 1 131 131 TRP H H 131 8.831 8.831 7.880 0.951 19954 10053 1 15 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.811 2.628 19954 10054 1 15 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.248 0.235 19954 10055 1 15 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.662 -3.925 19954 10056 1 15 . 1 1 144 144 ALA N N 144 121.013 121.013 122.722 -1.709 19954 10057 1 15 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.991 0.113 19954 10058 1 15 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.775 -2.097 19954 10059 1 15 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.655 -3.279 19954 10060 1 15 . 1 1 144 144 ALA H H 144 8.212 8.212 8.133 0.079 19954 10061 1 15 . 1 1 145 145 ILE N N 145 117.646 117.646 115.567 2.079 19954 10062 1 15 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.623 0.205 19954 10063 1 15 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.831 -4.487 19954 10064 1 15 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.534 0.608 19954 10065 1 15 . 1 1 145 145 ILE H H 145 7.183 7.183 7.801 -0.618 19954 10066 1 15 . 1 1 146 146 ARG N N 146 121.150 121.150 120.708 0.442 19954 10067 1 15 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.707 0.195 19954 10068 1 15 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.264 0.201 19954 10069 1 15 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.740 -1.957 19954 10070 1 15 . 1 1 146 146 ARG H H 146 8.477 8.477 7.423 1.054 19954 10071 1 15 . 1 1 147 147 SER N N 147 111.836 111.836 115.638 -3.802 19954 10072 1 15 . 1 1 147 147 SER HA H 147 4.162 4.162 4.159 0.003 19954 10073 1 15 . 1 1 147 147 SER CA C 147 58.642 58.642 58.795 -0.153 19954 10074 1 15 . 1 1 147 147 SER CB C 147 60.972 60.972 62.775 -1.802 19954 10075 1 15 . 1 1 147 147 SER H H 147 8.187 8.187 7.443 0.744 19954 10076 1 15 . 1 1 148 148 LYS N N 148 118.675 118.675 127.447 -8.772 19954 10077 1 15 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.875 0.263 19954 10078 1 15 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.481 -3.464 19954 10079 1 15 . 1 1 148 148 LYS CB C 148 31.780 31.780 32.002 -0.222 19954 10080 1 15 . 1 1 148 148 LYS H H 148 7.837 7.837 8.442 -0.605 19954 10081 1 15 . 1 1 149 149 CYS N N 149 113.256 113.256 118.343 -5.087 19954 10082 1 15 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.115 0.477 19954 10083 1 15 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.811 -10.799 19954 10084 1 15 . 1 1 149 149 CYS H H 149 8.267 8.267 8.112 0.155 19954 10085 1 15 . 1 1 150 150 PHE N N 150 116.623 116.623 120.181 -3.558 19954 10086 1 15 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.006 0.938 19954 10087 1 15 . 1 1 150 150 PHE CA C 150 54.409 54.409 60.897 -6.488 19954 10088 1 15 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.393 -0.340 19954 10089 1 15 . 1 1 150 150 PHE H H 150 7.373 7.373 8.692 -1.319 19954 10090 1 15 . 1 1 151 151 ALA N N 151 122.583 122.583 121.560 1.023 19954 10091 1 15 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.824 0.355 19954 10092 1 15 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.366 -4.725 19954 10093 1 15 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.395 -2.456 19954 10094 1 15 . 1 1 151 151 ALA H H 151 7.710 7.710 8.532 -0.822 19954 10095 1 15 . 1 1 152 152 MET N N 152 118.250 118.250 117.307 0.943 19954 10096 1 15 . 1 1 152 152 MET HA H 152 4.262 4.262 4.022 0.240 19954 10097 1 15 . 1 1 152 152 MET CA C 152 53.482 53.482 58.849 -5.367 19954 10098 1 15 . 1 1 152 152 MET CB C 152 30.488 30.488 32.210 -1.722 19954 10099 1 15 . 1 1 152 152 MET H H 152 8.086 8.086 8.053 0.033 19954 10100 1 15 . 1 1 153 153 ASP N N 153 121.780 121.780 121.137 0.643 19954 10101 1 15 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.591 -0.113 19954 10102 1 15 . 1 1 153 153 ASP CA C 153 51.626 51.626 57.145 -5.519 19954 10103 1 15 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.733 -3.273 19954 10104 1 15 . 1 1 153 153 ASP H H 153 8.299 8.299 7.948 0.351 19954 10105 1 15 . 1 1 154 154 LEU N N 154 122.337 122.337 118.124 4.213 19954 10106 1 15 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.043 0.065 19954 10107 1 15 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.582 -4.729 19954 10108 1 15 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.061 -1.345 19954 10109 1 15 . 1 1 154 154 LEU H H 154 8.072 8.072 8.041 0.031 19954 10110 1 15 . 1 1 155 155 GLU N N 155 119.995 119.995 115.857 4.138 19954 10111 1 15 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.059 -0.064 19954 10112 1 15 . 1 1 155 155 GLU CA C 155 54.299 54.299 56.239 -1.940 19954 10113 1 15 . 1 1 155 155 GLU CB C 155 27.634 27.634 30.115 -2.481 19954 10114 1 15 . 1 1 155 155 GLU H H 155 8.151 8.151 8.422 -0.271 19954 10115 1 15 . 1 1 156 156 HIS N N 156 118.980 118.980 120.711 -1.731 19954 10116 1 15 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.364 -0.144 19954 10117 1 15 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.679 -3.236 19954 10118 1 15 . 1 1 156 156 HIS H H 156 8.007 8.007 7.695 0.312 19954 10119 1 15 . 1 1 157 157 HIS N N 157 121.956 121.956 121.244 0.712 19954 10120 1 15 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.720 -0.309 19954 10121 1 15 . 1 1 157 157 HIS CA C 157 53.252 53.252 53.889 -0.637 19954 10122 1 15 . 1 1 157 157 HIS H H 157 8.580 8.580 8.368 0.212 19954 10123 1 15 . 1 1 158 158 HIS N N 158 125.474 125.474 118.312 7.162 19954 10124 1 15 . 1 1 158 158 HIS CA C 158 54.628 54.628 56.334 -1.706 19954 10125 1 15 . 1 1 158 158 HIS H H 158 7.906 7.906 8.299 -0.393 19954 10126 1 16 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.477 -0.162 19954 10127 1 16 . 1 1 4 4 ASP CA C 4 51.714 51.714 56.099 -4.385 19954 10128 1 16 . 1 1 5 5 ASP N N 5 120.880 120.880 118.570 2.310 19954 10129 1 16 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.989 -0.535 19954 10130 1 16 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.265 -0.690 19954 10131 1 16 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.615 -2.891 19954 10132 1 16 . 1 1 5 5 ASP H H 5 8.277 8.277 7.879 0.398 19954 10133 1 16 . 1 1 6 6 ASP N N 6 120.876 120.876 120.397 0.479 19954 10134 1 16 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.756 -0.274 19954 10135 1 16 . 1 1 6 6 ASP CA C 6 52.962 52.962 52.775 0.188 19954 10136 1 16 . 1 1 6 6 ASP CB C 6 38.558 38.558 43.225 -4.667 19954 10137 1 16 . 1 1 6 6 ASP H H 6 8.497 8.497 7.711 0.786 19954 10138 1 16 . 1 1 7 7 PHE N N 7 122.789 122.789 120.261 2.528 19954 10139 1 16 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.201 -0.092 19954 10140 1 16 . 1 1 7 7 PHE CA C 7 58.870 58.870 61.386 -2.515 19954 10141 1 16 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.462 -2.795 19954 10142 1 16 . 1 1 7 7 PHE H H 7 8.337 8.337 8.962 -0.625 19954 10143 1 16 . 1 1 8 8 GLN N N 8 116.255 116.255 119.356 -3.101 19954 10144 1 16 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.790 -0.041 19954 10145 1 16 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.529 -3.803 19954 10146 1 16 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.028 -3.240 19954 10147 1 16 . 1 1 8 8 GLN H H 8 8.488 8.488 8.622 -0.134 19954 10148 1 16 . 1 1 9 9 ASN N N 9 118.242 118.242 118.092 0.150 19954 10149 1 16 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.294 0.020 19954 10150 1 16 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.306 -2.731 19954 10151 1 16 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.296 -2.043 19954 10152 1 16 . 1 1 9 9 ASN H H 9 7.801 7.801 7.737 0.064 19954 10153 1 16 . 1 1 10 10 PHE N N 10 124.982 124.982 121.250 3.732 19954 10154 1 16 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.722 -0.268 19954 10155 1 16 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.163 -2.168 19954 10156 1 16 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.339 -3.304 19954 10157 1 16 . 1 1 10 10 PHE H H 10 6.924 6.924 6.861 0.063 19954 10158 1 16 . 1 1 11 11 VAL N N 11 118.513 118.513 118.471 0.042 19954 10159 1 16 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.023 -0.189 19954 10160 1 16 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.441 -2.210 19954 10161 1 16 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.235 -1.157 19954 10162 1 16 . 1 1 11 11 VAL H H 11 7.448 7.448 7.815 -0.367 19954 10163 1 16 . 1 1 12 12 ALA N N 12 119.214 119.214 121.018 -1.804 19954 10164 1 16 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.796 0.088 19954 10165 1 16 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.603 -3.177 19954 10166 1 16 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.922 -2.273 19954 10167 1 16 . 1 1 12 12 ALA H H 12 8.028 8.028 8.351 -0.323 19954 10168 1 16 . 1 1 13 13 THR N N 13 116.435 116.435 116.282 0.153 19954 10169 1 16 . 1 1 13 13 THR HA H 13 3.624 3.624 3.772 -0.148 19954 10170 1 16 . 1 1 13 13 THR CA C 13 64.041 64.041 66.775 -2.733 19954 10171 1 16 . 1 1 13 13 THR CB C 13 65.118 65.118 68.533 -3.415 19954 10172 1 16 . 1 1 13 13 THR H H 13 7.638 7.638 7.654 -0.016 19954 10173 1 16 . 1 1 14 14 LEU N N 14 126.284 126.284 121.601 4.683 19954 10174 1 16 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.554 0.076 19954 10175 1 16 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.935 -2.448 19954 10176 1 16 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.214 -2.362 19954 10177 1 16 . 1 1 14 14 LEU H H 14 7.975 7.975 7.372 0.603 19954 10178 1 16 . 1 1 15 15 GLU N N 15 116.145 116.145 118.415 -2.270 19954 10179 1 16 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.876 -0.059 19954 10180 1 16 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.791 -3.397 19954 10181 1 16 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.045 -2.137 19954 10182 1 16 . 1 1 15 15 GLU H H 15 8.503 8.503 8.507 -0.004 19954 10183 1 16 . 1 1 16 16 SER N N 16 114.452 114.452 114.543 -0.091 19954 10184 1 16 . 1 1 16 16 SER HA H 16 4.196 4.196 4.216 -0.020 19954 10185 1 16 . 1 1 16 16 SER CA C 16 58.515 58.515 61.023 -2.508 19954 10186 1 16 . 1 1 16 16 SER CB C 16 60.155 60.155 62.818 -2.663 19954 10187 1 16 . 1 1 16 16 SER H H 16 7.643 7.643 8.074 -0.431 19954 10188 1 16 . 1 1 17 17 PHE N N 17 124.020 124.020 121.949 2.071 19954 10189 1 16 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.119 -0.295 19954 10190 1 16 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.831 -1.496 19954 10191 1 16 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.884 -2.030 19954 10192 1 16 . 1 1 17 17 PHE H H 17 8.082 8.082 7.973 0.109 19954 10193 1 16 . 1 1 18 18 LYS N N 18 116.570 116.570 118.024 -1.454 19954 10194 1 16 . 1 1 18 18 LYS HA H 18 3.947 3.947 3.900 0.047 19954 10195 1 16 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.057 -2.202 19954 10196 1 16 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.633 -2.181 19954 10197 1 16 . 1 1 18 18 LYS H H 18 7.849 7.849 7.766 0.083 19954 10198 1 16 . 1 1 19 19 ASP N N 19 116.332 116.332 119.245 -2.913 19954 10199 1 16 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.454 0.085 19954 10200 1 16 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.842 -3.685 19954 10201 1 16 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.252 -2.549 19954 10202 1 16 . 1 1 19 19 ASP H H 19 7.276 7.276 7.682 -0.406 19954 10203 1 16 . 1 1 20 20 LEU N N 20 119.769 119.769 120.120 -0.351 19954 10204 1 16 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.230 0.169 19954 10205 1 16 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.675 -3.676 19954 10206 1 16 . 1 1 20 20 LEU H H 20 7.226 7.226 7.567 -0.341 19954 10207 1 16 . 1 1 21 21 LYS N N 21 126.041 126.041 122.274 3.767 19954 10208 1 16 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.212 -0.149 19954 10209 1 16 . 1 1 21 21 LYS CA C 21 56.849 56.849 56.234 0.615 19954 10210 1 16 . 1 1 21 21 LYS CB C 21 31.634 31.634 29.892 1.742 19954 10211 1 16 . 1 1 21 21 LYS H H 21 9.203 9.203 8.524 0.679 19954 10212 1 16 . 1 1 22 22 SER N N 22 109.885 109.885 115.045 -5.160 19954 10213 1 16 . 1 1 22 22 SER HA H 22 4.322 4.322 4.166 0.156 19954 10214 1 16 . 1 1 22 22 SER CA C 22 55.254 55.254 58.892 -3.638 19954 10215 1 16 . 1 1 22 22 SER CB C 22 62.254 62.254 62.293 -0.039 19954 10216 1 16 . 1 1 22 22 SER H H 22 8.607 8.607 8.614 -0.007 19954 10217 1 16 . 1 1 23 23 GLY N N 23 106.286 106.286 108.380 -2.094 19954 10218 1 16 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.898 -0.917 19954 10219 1 16 . 1 1 23 23 GLY H H 23 6.619 6.619 8.513 -1.894 19954 10220 1 16 . 1 1 24 24 ILE N N 24 118.883 118.883 119.222 -0.339 19954 10221 1 16 . 1 1 24 24 ILE HA H 24 3.984 3.984 2.999 0.985 19954 10222 1 16 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.932 -1.765 19954 10223 1 16 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.205 2.441 19954 10224 1 16 . 1 1 24 24 ILE H H 24 7.929 7.929 7.873 0.056 19954 10225 1 16 . 1 1 25 25 SER N N 25 117.952 117.952 118.076 -0.124 19954 10226 1 16 . 1 1 25 25 SER HA H 25 5.093 5.093 4.647 0.446 19954 10227 1 16 . 1 1 25 25 SER CA C 25 52.534 52.534 58.183 -5.649 19954 10228 1 16 . 1 1 25 25 SER CB C 25 61.938 61.938 64.545 -2.607 19954 10229 1 16 . 1 1 25 25 SER H H 25 5.660 5.660 8.173 -2.513 19954 10230 1 16 . 1 1 26 26 GLY N N 26 120.266 120.266 113.325 6.941 19954 10231 1 16 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.046 -1.559 19954 10232 1 16 . 1 1 26 26 GLY H H 26 8.596 8.596 9.096 -0.500 19954 10233 1 16 . 1 1 27 27 SER N N 27 120.500 120.500 117.170 3.330 19954 10234 1 16 . 1 1 27 27 SER HA H 27 4.410 4.410 4.093 0.317 19954 10235 1 16 . 1 1 27 27 SER CA C 27 58.793 58.793 61.705 -2.912 19954 10236 1 16 . 1 1 27 27 SER CB C 27 62.224 62.224 63.090 -0.866 19954 10237 1 16 . 1 1 27 27 SER H H 27 9.846 9.846 8.097 1.749 19954 10238 1 16 . 1 1 28 28 ARG N N 28 123.779 123.779 120.445 3.334 19954 10239 1 16 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.928 -0.043 19954 10240 1 16 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.166 -2.326 19954 10241 1 16 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.541 -1.427 19954 10242 1 16 . 1 1 28 28 ARG H H 28 8.034 8.034 7.566 0.468 19954 10243 1 16 . 1 1 29 29 ILE N N 29 120.700 120.700 119.505 1.195 19954 10244 1 16 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.325 0.147 19954 10245 1 16 . 1 1 29 29 ILE CA C 29 64.629 64.629 64.997 -0.368 19954 10246 1 16 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.134 -1.466 19954 10247 1 16 . 1 1 29 29 ILE H H 29 8.374 8.374 7.228 1.146 19954 10248 1 16 . 1 1 30 30 LYS N N 30 124.209 124.209 120.155 4.054 19954 10249 1 16 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.890 0.138 19954 10250 1 16 . 1 1 30 30 LYS CA C 30 57.401 57.401 59.526 -2.125 19954 10251 1 16 . 1 1 30 30 LYS CB C 30 29.280 29.280 31.888 -2.608 19954 10252 1 16 . 1 1 30 30 LYS H H 30 8.231 8.231 7.999 0.232 19954 10253 1 16 . 1 1 31 31 LYS N N 31 120.422 120.422 119.283 1.139 19954 10254 1 16 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.068 -0.030 19954 10255 1 16 . 1 1 31 31 LYS CA C 31 57.618 57.618 58.926 -1.308 19954 10256 1 16 . 1 1 31 31 LYS CB C 31 30.169 30.169 31.976 -1.807 19954 10257 1 16 . 1 1 31 31 LYS H H 31 7.449 7.449 7.708 -0.259 19954 10258 1 16 . 1 1 32 32 LEU N N 32 118.348 118.348 119.310 -0.962 19954 10259 1 16 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.085 -0.024 19954 10260 1 16 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.727 -3.317 19954 10261 1 16 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.299 -1.517 19954 10262 1 16 . 1 1 32 32 LEU H H 32 8.186 8.186 8.045 0.141 19954 10263 1 16 . 1 1 33 33 THR N N 33 116.500 116.500 115.068 1.432 19954 10264 1 16 . 1 1 33 33 THR HA H 33 3.662 3.662 3.977 -0.315 19954 10265 1 16 . 1 1 33 33 THR CA C 33 64.726 64.726 66.928 -2.202 19954 10266 1 16 . 1 1 33 33 THR CB C 33 66.097 66.097 67.843 -1.746 19954 10267 1 16 . 1 1 33 33 THR H H 33 8.066 8.066 8.389 -0.323 19954 10268 1 16 . 1 1 34 34 THR N N 34 119.029 119.029 118.325 0.704 19954 10269 1 16 . 1 1 34 34 THR HA H 34 3.759 3.759 3.883 -0.124 19954 10270 1 16 . 1 1 34 34 THR CA C 34 64.291 64.291 66.577 -2.286 19954 10271 1 16 . 1 1 34 34 THR CB C 34 66.733 66.733 68.975 -2.242 19954 10272 1 16 . 1 1 34 34 THR H H 34 8.685 8.685 8.026 0.659 19954 10273 1 16 . 1 1 35 35 TYR N N 35 120.298 120.298 122.425 -2.127 19954 10274 1 16 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.100 0.102 19954 10275 1 16 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.882 -1.728 19954 10276 1 16 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.288 -2.279 19954 10277 1 16 . 1 1 35 35 TYR H H 35 7.663 7.663 8.287 -0.624 19954 10278 1 16 . 1 1 36 36 ALA N N 36 121.480 121.480 122.070 -0.590 19954 10279 1 16 . 1 1 36 36 ALA HA H 36 3.912 3.912 4.034 -0.122 19954 10280 1 16 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.098 -1.962 19954 10281 1 16 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.392 -3.519 19954 10282 1 16 . 1 1 36 36 ALA H H 36 8.543 8.543 8.563 -0.020 19954 10283 1 16 . 1 1 37 37 LEU N N 37 120.767 120.767 119.128 1.639 19954 10284 1 16 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.918 0.185 19954 10285 1 16 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.404 -3.564 19954 10286 1 16 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.941 -1.759 19954 10287 1 16 . 1 1 37 37 LEU H H 37 8.351 8.351 8.113 0.238 19954 10288 1 16 . 1 1 38 38 ASP N N 38 119.008 119.008 116.922 2.086 19954 10289 1 16 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.223 0.233 19954 10290 1 16 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.173 -4.033 19954 10291 1 16 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.127 -2.228 19954 10292 1 16 . 1 1 38 38 ASP H H 38 7.557 7.557 8.033 -0.476 19954 10293 1 16 . 1 1 39 39 HIS N N 39 118.142 118.142 117.491 0.651 19954 10294 1 16 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.702 -0.077 19954 10295 1 16 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.556 -2.410 19954 10296 1 16 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.140 -3.634 19954 10297 1 16 . 1 1 39 39 HIS H H 39 7.094 7.094 7.924 -0.830 19954 10298 1 16 . 1 1 40 40 ILE N N 40 121.885 121.885 122.848 -0.963 19954 10299 1 16 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.946 -0.520 19954 10300 1 16 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.610 0.983 19954 10301 1 16 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.262 -1.089 19954 10302 1 16 . 1 1 40 40 ILE H H 40 7.630 7.630 8.274 -0.644 19954 10303 1 16 . 1 1 41 41 ASP N N 41 114.814 114.814 118.631 -3.817 19954 10304 1 16 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.598 -0.412 19954 10305 1 16 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.165 -0.149 19954 10306 1 16 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.285 -3.449 19954 10307 1 16 . 1 1 41 41 ASP H H 41 8.433 8.433 8.504 -0.071 19954 10308 1 16 . 1 1 42 42 ILE N N 42 113.793 113.793 112.678 1.115 19954 10309 1 16 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.582 0.130 19954 10310 1 16 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.475 -2.235 19954 10311 1 16 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.556 -3.660 19954 10312 1 16 . 1 1 42 42 ILE H H 42 7.447 7.447 7.236 0.211 19954 10313 1 16 . 1 1 43 43 GLU N N 43 120.845 120.845 123.054 -2.209 19954 10314 1 16 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.076 -0.030 19954 10315 1 16 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.577 -2.809 19954 10316 1 16 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.512 -4.495 19954 10317 1 16 . 1 1 43 43 GLU H H 43 8.195 8.195 7.930 0.265 19954 10318 1 16 . 1 1 44 44 SER N N 44 113.781 113.781 116.267 -2.486 19954 10319 1 16 . 1 1 44 44 SER HA H 44 3.944 3.944 4.081 -0.137 19954 10320 1 16 . 1 1 44 44 SER CA C 44 59.590 59.590 61.901 -2.311 19954 10321 1 16 . 1 1 44 44 SER CB C 44 59.878 59.878 62.676 -2.799 19954 10322 1 16 . 1 1 44 44 SER H H 44 8.728 8.728 8.562 0.166 19954 10323 1 16 . 1 1 45 45 LYS N N 45 121.258 121.258 121.514 -0.256 19954 10324 1 16 . 1 1 45 45 LYS HA H 45 4.079 4.079 3.988 0.091 19954 10325 1 16 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.737 -2.547 19954 10326 1 16 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.152 -0.675 19954 10327 1 16 . 1 1 45 45 LYS H H 45 7.329 7.329 8.187 -0.858 19954 10328 1 16 . 1 1 46 46 ILE N N 46 121.022 121.022 121.631 -0.609 19954 10329 1 16 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.618 -0.255 19954 10330 1 16 . 1 1 46 46 ILE CA C 46 63.257 63.257 64.988 -1.731 19954 10331 1 16 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.617 -0.725 19954 10332 1 16 . 1 1 46 46 ILE H H 46 7.360 7.360 7.968 -0.608 19954 10333 1 16 . 1 1 47 47 ILE N N 47 118.543 118.543 119.222 -0.679 19954 10334 1 16 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.631 0.108 19954 10335 1 16 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.101 -5.444 19954 10336 1 16 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.495 -4.367 19954 10337 1 16 . 1 1 47 47 ILE H H 47 9.378 9.378 8.099 1.279 19954 10338 1 16 . 1 1 48 48 SER N N 48 113.001 113.001 115.597 -2.596 19954 10339 1 16 . 1 1 48 48 SER HA H 48 4.016 4.016 4.117 -0.101 19954 10340 1 16 . 1 1 48 48 SER CA C 48 59.574 59.574 62.000 -2.426 19954 10341 1 16 . 1 1 48 48 SER CB C 48 60.341 60.341 63.206 -2.865 19954 10342 1 16 . 1 1 48 48 SER H H 48 7.382 7.382 8.636 -1.254 19954 10343 1 16 . 1 1 49 49 LEU N N 49 120.059 120.059 123.235 -3.176 19954 10344 1 16 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.174 -0.004 19954 10345 1 16 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.462 -2.796 19954 10346 1 16 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.083 -2.333 19954 10347 1 16 . 1 1 49 49 LEU H H 49 7.477 7.477 8.268 -0.791 19954 10348 1 16 . 1 1 50 50 ILE N N 50 115.429 115.429 117.583 -2.154 19954 10349 1 16 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.518 0.575 19954 10350 1 16 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.053 -2.249 19954 10351 1 16 . 1 1 50 50 ILE H H 50 8.081 8.081 7.874 0.207 19954 10352 1 16 . 1 1 51 51 ILE N N 51 125.106 125.106 121.989 3.117 19954 10353 1 16 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.592 -0.137 19954 10354 1 16 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.148 -2.000 19954 10355 1 16 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.623 -1.904 19954 10356 1 16 . 1 1 51 51 ILE H H 51 8.194 8.194 7.950 0.244 19954 10357 1 16 . 1 1 52 52 ASP N N 52 119.519 119.519 119.807 -0.288 19954 10358 1 16 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.356 -0.112 19954 10359 1 16 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.865 -2.881 19954 10360 1 16 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.861 -2.996 19954 10361 1 16 . 1 1 52 52 ASP H H 52 7.850 7.850 8.320 -0.470 19954 10362 1 16 . 1 1 53 53 TYR N N 53 118.402 118.402 120.044 -1.642 19954 10363 1 16 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.187 -0.295 19954 10364 1 16 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.251 -1.506 19954 10365 1 16 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.520 -2.656 19954 10366 1 16 . 1 1 53 53 TYR H H 53 8.260 8.260 8.810 -0.550 19954 10367 1 16 . 1 1 54 54 SER N N 54 111.626 111.626 115.383 -3.757 19954 10368 1 16 . 1 1 54 54 SER HA H 54 4.058 4.058 4.313 -0.255 19954 10369 1 16 . 1 1 54 54 SER CA C 54 58.733 58.733 61.208 -2.475 19954 10370 1 16 . 1 1 54 54 SER CB C 54 62.430 62.430 63.364 -0.934 19954 10371 1 16 . 1 1 54 54 SER H H 54 7.316 7.316 8.016 -0.700 19954 10372 1 16 . 1 1 55 55 ARG N N 55 114.937 114.937 122.004 -7.067 19954 10373 1 16 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.083 0.089 19954 10374 1 16 . 1 1 55 55 ARG CA C 55 56.273 56.273 58.083 -1.810 19954 10375 1 16 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.201 -0.951 19954 10376 1 16 . 1 1 55 55 ARG H H 55 7.901 7.901 7.715 0.186 19954 10377 1 16 . 1 1 56 56 LEU N N 56 116.307 116.307 119.806 -3.499 19954 10378 1 16 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.983 0.220 19954 10379 1 16 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.018 -4.218 19954 10380 1 16 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.134 -1.266 19954 10381 1 16 . 1 1 56 56 LEU H H 56 7.802 7.802 8.234 -0.432 19954 10382 1 16 . 1 1 57 57 CYS N N 57 119.062 119.062 114.506 4.556 19954 10383 1 16 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.415 -0.175 19954 10384 1 16 . 1 1 57 57 CYS CA C 57 53.750 53.750 56.797 -3.047 19954 10385 1 16 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.312 -5.236 19954 10386 1 16 . 1 1 57 57 CYS H H 57 7.717 7.717 7.328 0.389 19954 10387 1 16 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.447 -0.102 19954 10388 1 16 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.733 -2.251 19954 10389 1 16 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.580 -2.420 19954 10390 1 16 . 1 1 59 59 ASP N N 59 123.671 123.671 118.365 5.306 19954 10391 1 16 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.208 -0.291 19954 10392 1 16 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.017 -2.203 19954 10393 1 16 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.411 -2.487 19954 10394 1 16 . 1 1 59 59 ASP H H 59 8.696 8.696 8.705 -0.009 19954 10395 1 16 . 1 1 60 60 SER N N 60 110.600 110.600 116.924 -6.324 19954 10396 1 16 . 1 1 60 60 SER HA H 60 4.103 4.103 4.175 -0.072 19954 10397 1 16 . 1 1 60 60 SER CA C 60 57.379 57.379 61.922 -4.543 19954 10398 1 16 . 1 1 60 60 SER CB C 60 61.562 61.562 62.590 -1.028 19954 10399 1 16 . 1 1 60 60 SER H H 60 8.119 8.119 8.516 -0.397 19954 10400 1 16 . 1 1 61 61 HIS N N 61 122.391 122.391 120.092 2.299 19954 10401 1 16 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.427 0.206 19954 10402 1 16 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.305 -3.591 19954 10403 1 16 . 1 1 61 61 HIS CB C 61 29.942 29.942 28.909 1.033 19954 10404 1 16 . 1 1 61 61 HIS H H 61 8.123 8.123 8.060 0.063 19954 10405 1 16 . 1 1 62 62 LYS N N 62 121.665 121.665 120.715 0.950 19954 10406 1 16 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.999 -0.304 19954 10407 1 16 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.613 -3.853 19954 10408 1 16 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.135 -1.839 19954 10409 1 16 . 1 1 62 62 LYS H H 62 7.512 7.512 8.211 -0.699 19954 10410 1 16 . 1 1 63 63 LEU N N 63 117.792 117.792 120.244 -2.452 19954 10411 1 16 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.846 -0.388 19954 10412 1 16 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.582 -0.957 19954 10413 1 16 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.298 -3.249 19954 10414 1 16 . 1 1 63 63 LEU H H 63 8.136 8.136 8.503 -0.367 19954 10415 1 16 . 1 1 64 64 GLY N N 64 105.340 105.340 105.813 -0.473 19954 10416 1 16 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.885 -2.338 19954 10417 1 16 . 1 1 64 64 GLY H H 64 8.616 8.616 7.951 0.665 19954 10418 1 16 . 1 1 65 65 SER N N 65 117.745 117.745 118.729 -0.984 19954 10419 1 16 . 1 1 65 65 SER HA H 65 4.265 4.265 4.094 0.171 19954 10420 1 16 . 1 1 65 65 SER CA C 65 58.998 58.998 61.999 -3.001 19954 10421 1 16 . 1 1 65 65 SER CB C 65 67.350 67.350 62.977 4.373 19954 10422 1 16 . 1 1 65 65 SER H H 65 7.894 7.894 8.813 -0.919 19954 10423 1 16 . 1 1 66 66 LEU N N 66 124.161 124.161 123.589 0.572 19954 10424 1 16 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.945 0.356 19954 10425 1 16 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.106 -4.051 19954 10426 1 16 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.786 -3.679 19954 10427 1 16 . 1 1 66 66 LEU H H 66 7.407 7.407 7.984 -0.577 19954 10428 1 16 . 1 1 67 67 TYR N N 67 121.466 121.466 117.552 3.914 19954 10429 1 16 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.216 0.328 19954 10430 1 16 . 1 1 67 67 TYR CA C 67 53.439 53.439 61.101 -7.662 19954 10431 1 16 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.589 -3.408 19954 10432 1 16 . 1 1 67 67 TYR H H 67 8.001 8.001 7.598 0.403 19954 10433 1 16 . 1 1 68 68 ILE N N 68 121.357 121.357 120.422 0.935 19954 10434 1 16 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.604 -0.369 19954 10435 1 16 . 1 1 68 68 ILE CA C 68 64.382 64.382 65.730 -1.348 19954 10436 1 16 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.925 -1.845 19954 10437 1 16 . 1 1 68 68 ILE H H 68 7.811 7.811 7.815 -0.004 19954 10438 1 16 . 1 1 69 69 ILE N N 69 117.955 117.955 119.793 -1.838 19954 10439 1 16 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.573 -0.224 19954 10440 1 16 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.945 -2.532 19954 10441 1 16 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.608 -1.690 19954 10442 1 16 . 1 1 69 69 ILE H H 69 6.886 6.886 8.415 -1.529 19954 10443 1 16 . 1 1 70 70 ASP N N 70 118.932 118.932 120.321 -1.389 19954 10444 1 16 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.430 -0.034 19954 10445 1 16 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.071 -2.036 19954 10446 1 16 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.039 0.550 19954 10447 1 16 . 1 1 70 70 ASP H H 70 9.100 9.100 8.317 0.783 19954 10448 1 16 . 1 1 71 71 SER N N 71 110.354 110.354 116.049 -5.695 19954 10449 1 16 . 1 1 71 71 SER HA H 71 4.104 4.104 4.101 0.003 19954 10450 1 16 . 1 1 71 71 SER CA C 71 58.746 58.746 61.608 -2.862 19954 10451 1 16 . 1 1 71 71 SER CB C 71 61.136 61.136 63.183 -2.047 19954 10452 1 16 . 1 1 71 71 SER H H 71 7.938 7.938 7.847 0.091 19954 10453 1 16 . 1 1 72 72 ILE N N 72 117.565 117.565 122.312 -4.747 19954 10454 1 16 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.501 -0.236 19954 10455 1 16 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.679 -1.030 19954 10456 1 16 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.217 -1.453 19954 10457 1 16 . 1 1 72 72 ILE H H 72 7.912 7.912 7.838 0.074 19954 10458 1 16 . 1 1 73 73 GLY N N 73 107.350 107.350 107.690 -0.340 19954 10459 1 16 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.754 -2.007 19954 10460 1 16 . 1 1 73 73 GLY H H 73 8.847 8.847 8.504 0.343 19954 10461 1 16 . 1 1 74 74 ARG N N 74 118.068 118.068 122.243 -4.175 19954 10462 1 16 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.682 0.268 19954 10463 1 16 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.589 -0.417 19954 10464 1 16 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.114 -2.442 19954 10465 1 16 . 1 1 74 74 ARG H H 74 8.705 8.705 7.909 0.796 19954 10466 1 16 . 1 1 75 75 ALA N N 75 123.817 123.817 121.892 1.925 19954 10467 1 16 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.077 0.139 19954 10468 1 16 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.096 -2.234 19954 10469 1 16 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.160 -2.759 19954 10470 1 16 . 1 1 75 75 ALA H H 75 7.673 7.673 7.791 -0.118 19954 10471 1 16 . 1 1 76 76 TYR N N 76 119.918 119.918 118.745 1.173 19954 10472 1 16 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.140 0.397 19954 10473 1 16 . 1 1 76 76 TYR CA C 76 55.093 55.093 59.970 -4.877 19954 10474 1 16 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.687 -3.884 19954 10475 1 16 . 1 1 76 76 TYR H H 76 8.659 8.659 8.369 0.290 19954 10476 1 16 . 1 1 77 77 LEU N N 77 123.387 123.387 120.277 3.110 19954 10477 1 16 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.721 0.093 19954 10478 1 16 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.667 -3.492 19954 10479 1 16 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.677 -1.803 19954 10480 1 16 . 1 1 77 77 LEU H H 77 8.756 8.756 8.489 0.268 19954 10481 1 16 . 1 1 78 78 ASP N N 78 120.181 120.181 118.347 1.834 19954 10482 1 16 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.224 0.071 19954 10483 1 16 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.930 -3.127 19954 10484 1 16 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.562 -2.739 19954 10485 1 16 . 1 1 78 78 ASP H H 78 7.891 7.891 7.975 -0.084 19954 10486 1 16 . 1 1 79 79 GLU N N 79 120.503 120.503 118.826 1.677 19954 10487 1 16 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.927 0.091 19954 10488 1 16 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.351 -2.877 19954 10489 1 16 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.340 -2.136 19954 10490 1 16 . 1 1 79 79 GLU H H 79 7.502 7.502 7.923 -0.421 19954 10491 1 16 . 1 1 80 80 THR N N 80 111.013 111.013 113.905 -2.892 19954 10492 1 16 . 1 1 80 80 THR HA H 80 4.151 4.151 3.933 0.218 19954 10493 1 16 . 1 1 80 80 THR CA C 80 61.984 61.984 65.532 -3.548 19954 10494 1 16 . 1 1 80 80 THR CB C 80 67.420 67.420 68.846 -1.426 19954 10495 1 16 . 1 1 80 80 THR H H 80 7.883 7.883 7.919 -0.036 19954 10496 1 16 . 1 1 81 81 ARG N N 81 120.172 120.172 122.643 -2.471 19954 10497 1 16 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.045 0.034 19954 10498 1 16 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.316 -3.179 19954 10499 1 16 . 1 1 81 81 ARG H H 81 7.471 7.471 8.198 -0.727 19954 10500 1 16 . 1 1 82 82 SER N N 82 113.571 113.571 114.830 -1.259 19954 10501 1 16 . 1 1 82 82 SER HA H 82 4.329 4.329 4.238 0.091 19954 10502 1 16 . 1 1 82 82 SER CA C 82 56.193 56.193 60.421 -4.228 19954 10503 1 16 . 1 1 82 82 SER CB C 82 72.312 72.312 63.380 8.932 19954 10504 1 16 . 1 1 82 82 SER H H 82 7.744 7.744 7.993 -0.249 19954 10505 1 16 . 1 1 83 83 ASN N N 83 119.990 119.990 117.356 2.634 19954 10506 1 16 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.843 -0.101 19954 10507 1 16 . 1 1 83 83 ASN CA C 83 50.163 50.163 51.591 -1.428 19954 10508 1 16 . 1 1 83 83 ASN H H 83 7.792 7.792 7.532 0.260 19954 10509 1 16 . 1 1 84 84 SER N N 84 116.799 116.799 115.748 1.051 19954 10510 1 16 . 1 1 84 84 SER HA H 84 4.291 4.291 4.422 -0.131 19954 10511 1 16 . 1 1 84 84 SER CA C 84 56.325 56.325 57.745 -1.419 19954 10512 1 16 . 1 1 84 84 SER H H 84 8.352 8.352 8.390 -0.038 19954 10513 1 16 . 1 1 85 85 ASN N N 85 120.087 120.087 125.773 -5.686 19954 10514 1 16 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.469 0.198 19954 10515 1 16 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.858 -2.050 19954 10516 1 16 . 1 1 85 85 ASN H H 85 8.362 8.362 8.149 0.213 19954 10517 1 16 . 1 1 86 86 SER N N 86 116.068 116.068 120.349 -4.281 19954 10518 1 16 . 1 1 86 86 SER HA H 86 4.362 4.362 4.293 0.069 19954 10519 1 16 . 1 1 86 86 SER CA C 86 55.853 55.853 58.505 -2.652 19954 10520 1 16 . 1 1 86 86 SER H H 86 8.102 8.102 8.317 -0.215 19954 10521 1 16 . 1 1 87 87 SER N N 87 117.615 117.615 120.370 -2.755 19954 10522 1 16 . 1 1 87 87 SER HA H 87 4.302 4.302 4.442 -0.140 19954 10523 1 16 . 1 1 87 87 SER CA C 87 55.608 55.608 58.018 -2.410 19954 10524 1 16 . 1 1 87 87 SER H H 87 8.269 8.269 8.156 0.113 19954 10525 1 16 . 1 1 88 88 SER N N 88 122.455 122.455 121.527 0.928 19954 10526 1 16 . 1 1 88 88 SER CA C 88 53.710 53.710 59.043 -5.333 19954 10527 1 16 . 1 1 88 88 SER H H 88 8.377 8.377 8.878 -0.501 19954 10528 1 16 . 1 1 89 89 ASN N N 89 115.430 115.430 118.608 -3.178 19954 10529 1 16 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.616 5.284 19954 10530 1 16 . 1 1 89 89 ASN H H 89 8.141 8.141 8.596 -0.455 19954 10531 1 16 . 1 1 90 90 LYS N N 90 128.071 128.071 120.921 7.150 19954 10532 1 16 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.824 -1.443 19954 10533 1 16 . 1 1 90 90 LYS H H 90 7.961 7.961 8.599 -0.638 19954 10534 1 16 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.420 -1.015 19954 10535 1 16 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.937 -2.316 19954 10536 1 16 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.650 -3.957 19954 10537 1 16 . 1 1 92 92 GLY N N 92 112.403 112.403 105.018 7.385 19954 10538 1 16 . 1 1 92 92 GLY CA C 92 43.305 43.305 45.531 -2.226 19954 10539 1 16 . 1 1 92 92 GLY H H 92 10.139 10.139 8.573 1.566 19954 10540 1 16 . 1 1 93 93 THR N N 93 106.254 106.254 111.684 -5.430 19954 10541 1 16 . 1 1 93 93 THR HA H 93 4.527 4.527 5.202 -0.675 19954 10542 1 16 . 1 1 93 93 THR CA C 93 56.663 56.663 60.722 -4.059 19954 10543 1 16 . 1 1 93 93 THR CB C 93 70.927 70.927 70.469 0.458 19954 10544 1 16 . 1 1 93 93 THR H H 93 7.180 7.180 7.740 -0.560 19954 10545 1 16 . 1 1 94 94 CYS N N 94 121.465 121.465 121.038 0.427 19954 10546 1 16 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.622 -0.172 19954 10547 1 16 . 1 1 94 94 CYS CA C 94 60.867 60.867 63.019 -2.152 19954 10548 1 16 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.608 -1.363 19954 10549 1 16 . 1 1 94 94 CYS H H 94 8.777 8.777 8.596 0.181 19954 10550 1 16 . 1 1 95 95 ALA N N 95 119.619 119.619 124.015 -4.396 19954 10551 1 16 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.887 -0.045 19954 10552 1 16 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.136 -2.391 19954 10553 1 16 . 1 1 95 95 ALA CB C 95 15.704 15.704 18.276 -2.572 19954 10554 1 16 . 1 1 95 95 ALA H H 95 8.392 8.392 8.303 0.089 19954 10555 1 16 . 1 1 96 96 HIS N N 96 118.081 118.081 118.258 -0.177 19954 10556 1 16 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.178 0.028 19954 10557 1 16 . 1 1 96 96 HIS CA C 96 57.691 57.691 60.381 -2.690 19954 10558 1 16 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.232 -2.148 19954 10559 1 16 . 1 1 96 96 HIS H H 96 7.631 7.631 8.074 -0.443 19954 10560 1 16 . 1 1 97 97 ALA N N 97 123.652 123.652 122.497 1.155 19954 10561 1 16 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.067 -0.126 19954 10562 1 16 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.572 -2.414 19954 10563 1 16 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.588 -0.924 19954 10564 1 16 . 1 1 97 97 ALA H H 97 7.347 7.347 8.659 -1.312 19954 10565 1 16 . 1 1 98 98 ILE N N 98 115.278 115.278 118.564 -3.286 19954 10566 1 16 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.708 -0.184 19954 10567 1 16 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.895 -2.912 19954 10568 1 16 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.443 -1.776 19954 10569 1 16 . 1 1 98 98 ILE H H 98 7.916 7.916 8.264 -0.348 19954 10570 1 16 . 1 1 99 99 ASN N N 99 120.684 120.684 118.613 2.071 19954 10571 1 16 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.429 -0.025 19954 10572 1 16 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.671 -2.532 19954 10573 1 16 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.148 -1.903 19954 10574 1 16 . 1 1 99 99 ASN H H 99 7.978 7.978 8.236 -0.258 19954 10575 1 16 . 1 1 100 100 THR N N 100 117.791 117.791 117.794 -0.003 19954 10576 1 16 . 1 1 100 100 THR HA H 100 3.630 3.630 4.001 -0.371 19954 10577 1 16 . 1 1 100 100 THR CA C 100 63.899 63.899 66.889 -2.991 19954 10578 1 16 . 1 1 100 100 THR CB C 100 66.038 66.038 68.876 -2.838 19954 10579 1 16 . 1 1 100 100 THR H H 100 8.295 8.295 8.430 -0.135 19954 10580 1 16 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.810 -0.092 19954 10581 1 16 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.115 -3.690 19954 10582 1 16 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.621 -0.433 19954 10583 1 16 . 1 1 101 101 LEU H H 101 7.825 7.825 8.414 -0.589 19954 10584 1 16 . 1 1 102 102 GLY N N 102 105.767 105.767 103.606 2.161 19954 10585 1 16 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.600 -1.259 19954 10586 1 16 . 1 1 102 102 GLY H H 102 8.591 8.591 8.281 0.310 19954 10587 1 16 . 1 1 103 103 GLU N N 103 116.366 116.366 119.273 -2.907 19954 10588 1 16 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.351 -0.284 19954 10589 1 16 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.697 -2.251 19954 10590 1 16 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.103 -2.726 19954 10591 1 16 . 1 1 103 103 GLU H H 103 7.471 7.471 7.763 -0.292 19954 10592 1 16 . 1 1 104 104 VAL N N 104 108.377 108.377 112.309 -3.932 19954 10593 1 16 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.443 0.313 19954 10594 1 16 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.175 -4.321 19954 10595 1 16 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.781 -2.903 19954 10596 1 16 . 1 1 104 104 VAL H H 104 7.016 7.016 7.790 -0.774 19954 10597 1 16 . 1 1 105 105 ILE N N 105 123.784 123.784 122.960 0.824 19954 10598 1 16 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.526 0.228 19954 10599 1 16 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.419 -6.019 19954 10600 1 16 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.658 -2.247 19954 10601 1 16 . 1 1 105 105 ILE H H 105 7.197 7.197 8.672 -1.475 19954 10602 1 16 . 1 1 106 106 GLN N N 106 121.117 121.117 118.711 2.406 19954 10603 1 16 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.817 -0.162 19954 10604 1 16 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.294 -0.960 19954 10605 1 16 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.204 -0.312 19954 10606 1 16 . 1 1 106 106 GLN H H 106 8.549 8.549 8.580 -0.031 19954 10607 1 16 . 1 1 107 107 GLU N N 107 122.716 122.716 121.506 1.210 19954 10608 1 16 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.076 -0.239 19954 10609 1 16 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.598 -2.010 19954 10610 1 16 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.858 -2.324 19954 10611 1 16 . 1 1 107 107 GLU H H 107 7.762 7.762 8.059 -0.297 19954 10612 1 16 . 1 1 108 108 LEU N N 108 116.615 116.615 121.205 -4.590 19954 10613 1 16 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.941 0.038 19954 10614 1 16 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.905 -3.111 19954 10615 1 16 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.641 -3.144 19954 10616 1 16 . 1 1 108 108 LEU H H 108 8.016 8.016 7.809 0.207 19954 10617 1 16 . 1 1 109 109 LEU N N 109 118.708 118.708 118.845 -0.137 19954 10618 1 16 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.755 0.085 19954 10619 1 16 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.695 -2.969 19954 10620 1 16 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.567 -0.245 19954 10621 1 16 . 1 1 109 109 LEU H H 109 8.801 8.801 8.499 0.302 19954 10622 1 16 . 1 1 110 110 SER N N 110 114.083 114.083 114.328 -0.245 19954 10623 1 16 . 1 1 110 110 SER HA H 110 3.848 3.848 3.872 -0.024 19954 10624 1 16 . 1 1 110 110 SER CA C 110 60.127 60.127 61.548 -1.421 19954 10625 1 16 . 1 1 110 110 SER CB C 110 60.300 60.300 62.446 -2.146 19954 10626 1 16 . 1 1 110 110 SER H H 110 8.161 8.161 7.962 0.199 19954 10627 1 16 . 1 1 111 111 ASP N N 111 120.151 120.151 123.061 -2.910 19954 10628 1 16 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.273 0.069 19954 10629 1 16 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.019 -2.252 19954 10630 1 16 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.344 -0.600 19954 10631 1 16 . 1 1 111 111 ASP H H 111 7.614 7.614 8.095 -0.481 19954 10632 1 16 . 1 1 112 112 ALA N N 112 116.927 116.927 122.865 -5.938 19954 10633 1 16 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.983 -0.394 19954 10634 1 16 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.343 -2.620 19954 10635 1 16 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.596 -0.949 19954 10636 1 16 . 1 1 112 112 ALA H H 112 7.662 7.662 8.190 -0.528 19954 10637 1 16 . 1 1 113 113 ILE N N 113 119.039 119.039 117.912 1.127 19954 10638 1 16 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.631 -0.404 19954 10639 1 16 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.807 -1.127 19954 10640 1 16 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.948 -1.789 19954 10641 1 16 . 1 1 113 113 ILE H H 113 8.681 8.681 8.224 0.457 19954 10642 1 16 . 1 1 114 114 ALA N N 114 120.055 120.055 121.043 -0.988 19954 10643 1 16 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.964 -0.057 19954 10644 1 16 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.459 -1.871 19954 10645 1 16 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.930 -2.799 19954 10646 1 16 . 1 1 114 114 ALA H H 114 7.716 7.716 8.200 -0.484 19954 10647 1 16 . 1 1 115 115 LYS N N 115 113.845 113.845 118.267 -4.422 19954 10648 1 16 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.044 0.039 19954 10649 1 16 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.550 -3.595 19954 10650 1 16 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.398 -0.764 19954 10651 1 16 . 1 1 115 115 LYS H H 115 7.248 7.248 8.245 -0.997 19954 10652 1 16 . 1 1 116 116 SER N N 116 115.794 115.794 113.524 2.270 19954 10653 1 16 . 1 1 116 116 SER HA H 116 4.503 4.503 4.215 0.288 19954 10654 1 16 . 1 1 116 116 SER CA C 116 57.848 57.848 60.003 -2.155 19954 10655 1 16 . 1 1 116 116 SER CB C 116 63.380 63.380 63.834 -0.454 19954 10656 1 16 . 1 1 116 116 SER H H 116 7.124 7.124 8.244 -1.120 19954 10657 1 16 . 1 1 117 117 ASN N N 117 119.747 119.747 119.498 0.249 19954 10658 1 16 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.757 -0.235 19954 10659 1 16 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.387 -3.045 19954 10660 1 16 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.277 -3.995 19954 10661 1 16 . 1 1 117 117 ASN H H 117 8.457 8.457 8.358 0.099 19954 10662 1 16 . 1 1 118 118 GLN N N 118 117.591 117.591 118.256 -0.665 19954 10663 1 16 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.998 -0.221 19954 10664 1 16 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.023 -2.838 19954 10665 1 16 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.396 3.145 19954 10666 1 16 . 1 1 118 118 GLN H H 118 8.418 8.418 8.737 -0.319 19954 10667 1 16 . 1 1 119 119 ASP N N 119 119.281 119.281 119.227 0.054 19954 10668 1 16 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.459 -0.169 19954 10669 1 16 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.675 -3.082 19954 10670 1 16 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.430 -1.527 19954 10671 1 16 . 1 1 119 119 ASP H H 119 7.973 7.973 8.724 -0.751 19954 10672 1 16 . 1 1 120 120 HIS N N 120 118.871 118.871 118.025 0.846 19954 10673 1 16 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.120 0.220 19954 10674 1 16 . 1 1 120 120 HIS CA C 120 55.758 55.758 59.148 -3.390 19954 10675 1 16 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.688 -1.960 19954 10676 1 16 . 1 1 120 120 HIS H H 120 8.702 8.702 8.518 0.184 19954 10677 1 16 . 1 1 121 121 LYS N N 121 120.739 120.739 118.580 2.159 19954 10678 1 16 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.925 -0.157 19954 10679 1 16 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.848 -0.163 19954 10680 1 16 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.432 -0.508 19954 10681 1 16 . 1 1 121 121 LYS H H 121 8.990 8.990 8.826 0.164 19954 10682 1 16 . 1 1 122 122 GLU N N 122 117.889 117.889 119.915 -2.026 19954 10683 1 16 . 1 1 122 122 GLU HA H 122 4.062 4.062 3.962 0.100 19954 10684 1 16 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.623 -3.518 19954 10685 1 16 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.087 -2.396 19954 10686 1 16 . 1 1 122 122 GLU H H 122 7.615 7.615 7.869 -0.254 19954 10687 1 16 . 1 1 123 123 LYS N N 123 119.139 119.139 119.433 -0.294 19954 10688 1 16 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.055 -0.096 19954 10689 1 16 . 1 1 123 123 LYS CA C 123 56.602 56.602 59.170 -2.568 19954 10690 1 16 . 1 1 123 123 LYS CB C 123 30.223 30.223 32.237 -2.014 19954 10691 1 16 . 1 1 123 123 LYS H H 123 7.550 7.550 7.665 -0.115 19954 10692 1 16 . 1 1 124 124 ILE N N 124 123.103 123.103 119.912 3.191 19954 10693 1 16 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.446 -0.220 19954 10694 1 16 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.667 -1.983 19954 10695 1 16 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.596 -2.853 19954 10696 1 16 . 1 1 124 124 ILE H H 124 8.356 8.356 7.747 0.609 19954 10697 1 16 . 1 1 125 125 ARG N N 125 122.162 122.162 119.902 2.260 19954 10698 1 16 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.935 -0.829 19954 10699 1 16 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.475 -1.451 19954 10700 1 16 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.063 1.908 19954 10701 1 16 . 1 1 125 125 ARG H H 125 7.988 7.988 7.972 0.016 19954 10702 1 16 . 1 1 126 126 MET N N 126 115.215 115.215 118.903 -3.688 19954 10703 1 16 . 1 1 126 126 MET HA H 126 3.973 3.973 4.135 -0.162 19954 10704 1 16 . 1 1 126 126 MET CA C 126 55.896 55.896 58.950 -3.054 19954 10705 1 16 . 1 1 126 126 MET CB C 126 29.856 29.856 32.453 -2.596 19954 10706 1 16 . 1 1 126 126 MET H H 126 7.455 7.455 7.743 -0.288 19954 10707 1 16 . 1 1 127 127 LEU N N 127 122.351 122.351 120.434 1.917 19954 10708 1 16 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.801 -0.249 19954 10709 1 16 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.739 -2.951 19954 10710 1 16 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.173 -1.895 19954 10711 1 16 . 1 1 127 127 LEU H H 127 7.479 7.479 7.775 -0.296 19954 10712 1 16 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.539 0.344 19954 10713 1 16 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.233 -2.886 19954 10714 1 16 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.342 -2.533 19954 10715 1 16 . 1 1 128 128 LEU H H 128 7.841 7.841 8.056 -0.215 19954 10716 1 16 . 1 1 129 129 ASP N N 129 116.915 116.915 119.522 -2.607 19954 10717 1 16 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.383 0.004 19954 10718 1 16 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.870 -5.271 19954 10719 1 16 . 1 1 129 129 ASP CB C 129 37.866 37.866 41.050 -3.184 19954 10720 1 16 . 1 1 129 129 ASP H H 129 7.034 7.034 7.805 -0.771 19954 10721 1 16 . 1 1 130 130 ILE N N 130 124.155 124.155 120.298 3.857 19954 10722 1 16 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.657 -0.014 19954 10723 1 16 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.108 -1.732 19954 10724 1 16 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.788 -3.004 19954 10725 1 16 . 1 1 130 130 ILE H H 130 7.671 7.671 7.631 0.040 19954 10726 1 16 . 1 1 131 131 TRP N N 131 125.421 125.421 120.086 5.335 19954 10727 1 16 . 1 1 131 131 TRP H H 131 8.831 8.831 8.043 0.788 19954 10728 1 16 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.937 2.502 19954 10729 1 16 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.378 0.105 19954 10730 1 16 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.498 -3.761 19954 10731 1 16 . 1 1 144 144 ALA N N 144 121.013 121.013 125.441 -4.428 19954 10732 1 16 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.021 0.083 19954 10733 1 16 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.759 -2.081 19954 10734 1 16 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.593 -3.217 19954 10735 1 16 . 1 1 144 144 ALA H H 144 8.212 8.212 8.131 0.081 19954 10736 1 16 . 1 1 145 145 ILE N N 145 117.646 117.646 115.607 2.039 19954 10737 1 16 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.355 0.473 19954 10738 1 16 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.581 -4.237 19954 10739 1 16 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.239 0.903 19954 10740 1 16 . 1 1 145 145 ILE H H 145 7.183 7.183 7.790 -0.607 19954 10741 1 16 . 1 1 146 146 ARG N N 146 121.150 121.150 121.109 0.041 19954 10742 1 16 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.697 0.205 19954 10743 1 16 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.762 -0.297 19954 10744 1 16 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.752 -1.969 19954 10745 1 16 . 1 1 146 146 ARG H H 146 8.477 8.477 7.525 0.952 19954 10746 1 16 . 1 1 147 147 SER N N 147 111.836 111.836 115.908 -4.072 19954 10747 1 16 . 1 1 147 147 SER HA H 147 4.162 4.162 4.415 -0.253 19954 10748 1 16 . 1 1 147 147 SER CA C 147 58.642 58.642 58.587 0.055 19954 10749 1 16 . 1 1 147 147 SER CB C 147 60.972 60.972 62.760 -1.788 19954 10750 1 16 . 1 1 147 147 SER H H 147 8.187 8.187 7.745 0.442 19954 10751 1 16 . 1 1 148 148 LYS N N 148 118.675 118.675 127.142 -8.467 19954 10752 1 16 . 1 1 148 148 LYS HA H 148 4.138 4.138 4.049 0.089 19954 10753 1 16 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.476 -3.459 19954 10754 1 16 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.794 -0.014 19954 10755 1 16 . 1 1 148 148 LYS H H 148 7.837 7.837 8.461 -0.624 19954 10756 1 16 . 1 1 149 149 CYS N N 149 113.256 113.256 118.904 -5.648 19954 10757 1 16 . 1 1 149 149 CYS HA H 149 4.592 4.592 3.997 0.595 19954 10758 1 16 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.250 -10.238 19954 10759 1 16 . 1 1 149 149 CYS H H 149 8.267 8.267 7.993 0.274 19954 10760 1 16 . 1 1 150 150 PHE N N 150 116.623 116.623 120.105 -3.482 19954 10761 1 16 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.096 0.848 19954 10762 1 16 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.243 -6.834 19954 10763 1 16 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.072 -0.019 19954 10764 1 16 . 1 1 150 150 PHE H H 150 7.373 7.373 8.721 -1.348 19954 10765 1 16 . 1 1 151 151 ALA N N 151 122.583 122.583 121.433 1.150 19954 10766 1 16 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.567 0.612 19954 10767 1 16 . 1 1 151 151 ALA CA C 151 50.641 50.641 54.093 -3.452 19954 10768 1 16 . 1 1 151 151 ALA CB C 151 15.939 15.939 17.609 -1.670 19954 10769 1 16 . 1 1 151 151 ALA H H 151 7.710 7.710 5.438 2.272 19954 10770 1 16 . 1 1 152 152 MET N N 152 118.250 118.250 115.935 2.315 19954 10771 1 16 . 1 1 152 152 MET HA H 152 4.262 4.262 4.008 0.254 19954 10772 1 16 . 1 1 152 152 MET CA C 152 53.482 53.482 58.373 -4.891 19954 10773 1 16 . 1 1 152 152 MET CB C 152 30.488 30.488 31.337 -0.849 19954 10774 1 16 . 1 1 152 152 MET H H 152 8.086 8.086 7.596 0.490 19954 10775 1 16 . 1 1 153 153 ASP N N 153 121.780 121.780 118.084 3.696 19954 10776 1 16 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.388 0.090 19954 10777 1 16 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.090 -4.465 19954 10778 1 16 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.554 -3.094 19954 10779 1 16 . 1 1 153 153 ASP H H 153 8.299 8.299 7.748 0.551 19954 10780 1 16 . 1 1 154 154 LEU N N 154 122.337 122.337 116.944 5.393 19954 10781 1 16 . 1 1 154 154 LEU HA H 154 4.108 4.108 3.998 0.110 19954 10782 1 16 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.609 -3.756 19954 10783 1 16 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.368 -1.652 19954 10784 1 16 . 1 1 154 154 LEU H H 154 8.072 8.072 7.589 0.483 19954 10785 1 16 . 1 1 155 155 GLU N N 155 119.995 119.995 119.444 0.551 19954 10786 1 16 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.125 -0.130 19954 10787 1 16 . 1 1 155 155 GLU CA C 155 54.299 54.299 55.333 -1.034 19954 10788 1 16 . 1 1 155 155 GLU CB C 155 27.634 27.634 31.443 -3.809 19954 10789 1 16 . 1 1 155 155 GLU H H 155 8.151 8.151 7.862 0.289 19954 10790 1 16 . 1 1 156 156 HIS N N 156 118.980 118.980 116.584 2.396 19954 10791 1 16 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.587 -0.367 19954 10792 1 16 . 1 1 156 156 HIS CA C 156 53.443 53.443 54.923 -1.480 19954 10793 1 16 . 1 1 156 156 HIS H H 156 8.007 8.007 8.540 -0.533 19954 10794 1 16 . 1 1 157 157 HIS N N 157 121.956 121.956 117.243 4.713 19954 10795 1 16 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.370 0.041 19954 10796 1 16 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.018 -3.766 19954 10797 1 16 . 1 1 157 157 HIS H H 157 8.580 8.580 8.033 0.547 19954 10798 1 16 . 1 1 158 158 HIS N N 158 125.474 125.474 119.303 6.171 19954 10799 1 16 . 1 1 158 158 HIS CA C 158 54.628 54.628 54.811 -0.183 19954 10800 1 16 . 1 1 158 158 HIS H H 158 7.906 7.906 8.937 -1.031 19954 10801 1 17 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.573 -0.258 19954 10802 1 17 . 1 1 4 4 ASP CA C 4 51.714 51.714 54.400 -2.686 19954 10803 1 17 . 1 1 5 5 ASP N N 5 120.880 120.880 117.719 3.161 19954 10804 1 17 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.866 -0.412 19954 10805 1 17 . 1 1 5 5 ASP CA C 5 52.575 52.575 53.493 -0.918 19954 10806 1 17 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.342 -2.618 19954 10807 1 17 . 1 1 5 5 ASP H H 5 8.277 8.277 8.328 -0.051 19954 10808 1 17 . 1 1 6 6 ASP N N 6 120.876 120.876 119.551 1.325 19954 10809 1 17 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.653 -0.171 19954 10810 1 17 . 1 1 6 6 ASP CA C 6 52.962 52.962 54.617 -1.655 19954 10811 1 17 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.057 -3.499 19954 10812 1 17 . 1 1 6 6 ASP H H 6 8.497 8.497 7.876 0.621 19954 10813 1 17 . 1 1 7 7 PHE N N 7 122.789 122.789 120.732 2.057 19954 10814 1 17 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.382 -0.273 19954 10815 1 17 . 1 1 7 7 PHE CA C 7 58.870 58.870 61.134 -2.264 19954 10816 1 17 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.276 -2.610 19954 10817 1 17 . 1 1 7 7 PHE H H 7 8.337 8.337 8.648 -0.311 19954 10818 1 17 . 1 1 8 8 GLN N N 8 116.255 116.255 118.868 -2.613 19954 10819 1 17 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.879 -0.130 19954 10820 1 17 . 1 1 8 8 GLN CA C 8 55.726 55.726 60.004 -4.278 19954 10821 1 17 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.076 -3.288 19954 10822 1 17 . 1 1 8 8 GLN H H 8 8.488 8.488 8.829 -0.341 19954 10823 1 17 . 1 1 9 9 ASN N N 9 118.242 118.242 118.112 0.130 19954 10824 1 17 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.313 0.001 19954 10825 1 17 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.117 -2.542 19954 10826 1 17 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.374 -2.121 19954 10827 1 17 . 1 1 9 9 ASN H H 9 7.801 7.801 7.759 0.042 19954 10828 1 17 . 1 1 10 10 PHE N N 10 124.982 124.982 121.393 3.589 19954 10829 1 17 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.704 -0.250 19954 10830 1 17 . 1 1 10 10 PHE CA C 10 58.994 58.994 60.713 -1.719 19954 10831 1 17 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.058 -3.023 19954 10832 1 17 . 1 1 10 10 PHE H H 10 6.924 6.924 7.068 -0.144 19954 10833 1 17 . 1 1 11 11 VAL N N 11 118.513 118.513 118.540 -0.027 19954 10834 1 17 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.054 -0.220 19954 10835 1 17 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.345 -2.114 19954 10836 1 17 . 1 1 11 11 VAL CB C 11 30.078 30.078 30.810 -0.732 19954 10837 1 17 . 1 1 11 11 VAL H H 11 7.448 7.448 7.744 -0.296 19954 10838 1 17 . 1 1 12 12 ALA N N 12 119.214 119.214 121.052 -1.838 19954 10839 1 17 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.824 0.060 19954 10840 1 17 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.526 -3.100 19954 10841 1 17 . 1 1 12 12 ALA CB C 12 15.649 15.649 18.115 -2.466 19954 10842 1 17 . 1 1 12 12 ALA H H 12 8.028 8.028 8.410 -0.382 19954 10843 1 17 . 1 1 13 13 THR N N 13 116.435 116.435 116.316 0.119 19954 10844 1 17 . 1 1 13 13 THR HA H 13 3.624 3.624 3.753 -0.129 19954 10845 1 17 . 1 1 13 13 THR CA C 13 64.041 64.041 66.322 -2.281 19954 10846 1 17 . 1 1 13 13 THR CB C 13 65.118 65.118 68.593 -3.475 19954 10847 1 17 . 1 1 13 13 THR H H 13 7.638 7.638 7.711 -0.073 19954 10848 1 17 . 1 1 14 14 LEU N N 14 126.284 126.284 121.876 4.408 19954 10849 1 17 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.704 -0.074 19954 10850 1 17 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.982 -2.495 19954 10851 1 17 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.160 -2.308 19954 10852 1 17 . 1 1 14 14 LEU H H 14 7.975 7.975 7.521 0.454 19954 10853 1 17 . 1 1 15 15 GLU N N 15 116.145 116.145 118.426 -2.281 19954 10854 1 17 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.849 -0.032 19954 10855 1 17 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.724 -3.330 19954 10856 1 17 . 1 1 15 15 GLU CB C 15 26.908 26.908 28.985 -2.077 19954 10857 1 17 . 1 1 15 15 GLU H H 15 8.503 8.503 8.436 0.067 19954 10858 1 17 . 1 1 16 16 SER N N 16 114.452 114.452 114.457 -0.005 19954 10859 1 17 . 1 1 16 16 SER HA H 16 4.196 4.196 4.196 0.000 19954 10860 1 17 . 1 1 16 16 SER CA C 16 58.515 58.515 60.948 -2.433 19954 10861 1 17 . 1 1 16 16 SER CB C 16 60.155 60.155 62.806 -2.651 19954 10862 1 17 . 1 1 16 16 SER H H 16 7.643 7.643 8.014 -0.371 19954 10863 1 17 . 1 1 17 17 PHE N N 17 124.020 124.020 121.850 2.170 19954 10864 1 17 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.132 -0.308 19954 10865 1 17 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.378 -1.043 19954 10866 1 17 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.810 -1.956 19954 10867 1 17 . 1 1 17 17 PHE H H 17 8.082 8.082 8.065 0.017 19954 10868 1 17 . 1 1 18 18 LYS N N 18 116.570 116.570 117.828 -1.258 19954 10869 1 17 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.109 -0.162 19954 10870 1 17 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.879 -2.024 19954 10871 1 17 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.751 -2.299 19954 10872 1 17 . 1 1 18 18 LYS H H 18 7.849 7.849 7.858 -0.009 19954 10873 1 17 . 1 1 19 19 ASP N N 19 116.332 116.332 119.696 -3.364 19954 10874 1 17 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.493 0.046 19954 10875 1 17 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.839 -3.682 19954 10876 1 17 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.936 -3.233 19954 10877 1 17 . 1 1 19 19 ASP H H 19 7.276 7.276 7.713 -0.437 19954 10878 1 17 . 1 1 20 20 LEU N N 20 119.769 119.769 116.904 2.865 19954 10879 1 17 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.421 -0.022 19954 10880 1 17 . 1 1 20 20 LEU CA C 20 50.999 50.999 56.143 -5.144 19954 10881 1 17 . 1 1 20 20 LEU H H 20 7.226 7.226 7.655 -0.429 19954 10882 1 17 . 1 1 21 21 LYS N N 21 126.041 126.041 118.087 7.954 19954 10883 1 17 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.452 -0.389 19954 10884 1 17 . 1 1 21 21 LYS CA C 21 56.849 56.849 57.506 -0.657 19954 10885 1 17 . 1 1 21 21 LYS CB C 21 31.634 31.634 33.176 -1.542 19954 10886 1 17 . 1 1 21 21 LYS H H 21 9.203 9.203 8.510 0.693 19954 10887 1 17 . 1 1 22 22 SER N N 22 109.885 109.885 114.839 -4.954 19954 10888 1 17 . 1 1 22 22 SER HA H 22 4.322 4.322 4.355 -0.033 19954 10889 1 17 . 1 1 22 22 SER CA C 22 55.254 55.254 59.678 -4.423 19954 10890 1 17 . 1 1 22 22 SER CB C 22 62.254 62.254 63.020 -0.766 19954 10891 1 17 . 1 1 22 22 SER H H 22 8.607 8.607 8.053 0.554 19954 10892 1 17 . 1 1 23 23 GLY N N 23 106.286 106.286 107.679 -1.393 19954 10893 1 17 . 1 1 23 23 GLY CA C 23 43.980 43.980 45.359 -1.379 19954 10894 1 17 . 1 1 23 23 GLY H H 23 6.619 6.619 8.565 -1.946 19954 10895 1 17 . 1 1 24 24 ILE N N 24 118.883 118.883 117.980 0.903 19954 10896 1 17 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.666 -0.682 19954 10897 1 17 . 1 1 24 24 ILE CA C 24 59.167 59.167 59.868 -0.701 19954 10898 1 17 . 1 1 24 24 ILE CB C 24 39.646 39.646 41.416 -1.770 19954 10899 1 17 . 1 1 24 24 ILE H H 24 7.929 7.929 7.544 0.385 19954 10900 1 17 . 1 1 25 25 SER N N 25 117.952 117.952 119.821 -1.869 19954 10901 1 17 . 1 1 25 25 SER HA H 25 5.093 5.093 4.697 0.396 19954 10902 1 17 . 1 1 25 25 SER CA C 25 52.534 52.534 57.104 -4.570 19954 10903 1 17 . 1 1 25 25 SER CB C 25 61.938 61.938 64.206 -2.268 19954 10904 1 17 . 1 1 25 25 SER H H 25 5.660 5.660 8.850 -3.190 19954 10905 1 17 . 1 1 26 26 GLY N N 26 120.266 120.266 114.340 5.926 19954 10906 1 17 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.165 -1.678 19954 10907 1 17 . 1 1 26 26 GLY H H 26 8.596 8.596 8.989 -0.393 19954 10908 1 17 . 1 1 27 27 SER N N 27 120.500 120.500 115.849 4.651 19954 10909 1 17 . 1 1 27 27 SER HA H 27 4.410 4.410 4.038 0.372 19954 10910 1 17 . 1 1 27 27 SER CA C 27 58.793 58.793 61.401 -2.608 19954 10911 1 17 . 1 1 27 27 SER CB C 27 62.224 62.224 62.920 -0.696 19954 10912 1 17 . 1 1 27 27 SER H H 27 9.846 9.846 8.487 1.359 19954 10913 1 17 . 1 1 28 28 ARG N N 28 123.779 123.779 120.221 3.558 19954 10914 1 17 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.785 0.100 19954 10915 1 17 . 1 1 28 28 ARG CA C 28 56.840 56.840 58.828 -1.988 19954 10916 1 17 . 1 1 28 28 ARG CB C 28 28.114 28.114 28.912 -0.798 19954 10917 1 17 . 1 1 28 28 ARG H H 28 8.034 8.034 7.785 0.249 19954 10918 1 17 . 1 1 29 29 ILE N N 29 120.700 120.700 120.250 0.450 19954 10919 1 17 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.673 -0.201 19954 10920 1 17 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.293 -0.664 19954 10921 1 17 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.529 -1.861 19954 10922 1 17 . 1 1 29 29 ILE H H 29 8.374 8.374 7.817 0.557 19954 10923 1 17 . 1 1 30 30 LYS N N 30 124.209 124.209 120.666 3.543 19954 10924 1 17 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.939 0.089 19954 10925 1 17 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.105 -2.704 19954 10926 1 17 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.087 -2.807 19954 10927 1 17 . 1 1 30 30 LYS H H 30 8.231 8.231 8.330 -0.099 19954 10928 1 17 . 1 1 31 31 LYS N N 31 120.422 120.422 119.305 1.117 19954 10929 1 17 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.049 -0.011 19954 10930 1 17 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.044 -1.426 19954 10931 1 17 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.089 -1.920 19954 10932 1 17 . 1 1 31 31 LYS H H 31 7.449 7.449 7.722 -0.273 19954 10933 1 17 . 1 1 32 32 LEU N N 32 118.348 118.348 119.378 -1.030 19954 10934 1 17 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.257 -0.196 19954 10935 1 17 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.933 -3.523 19954 10936 1 17 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.545 -1.763 19954 10937 1 17 . 1 1 32 32 LEU H H 32 8.186 8.186 8.272 -0.086 19954 10938 1 17 . 1 1 33 33 THR N N 33 116.500 116.500 115.397 1.103 19954 10939 1 17 . 1 1 33 33 THR HA H 33 3.662 3.662 3.991 -0.329 19954 10940 1 17 . 1 1 33 33 THR CA C 33 64.726 64.726 67.018 -2.292 19954 10941 1 17 . 1 1 33 33 THR CB C 33 66.097 66.097 67.860 -1.763 19954 10942 1 17 . 1 1 33 33 THR H H 33 8.066 8.066 8.614 -0.548 19954 10943 1 17 . 1 1 34 34 THR N N 34 119.029 119.029 118.250 0.779 19954 10944 1 17 . 1 1 34 34 THR HA H 34 3.759 3.759 3.855 -0.096 19954 10945 1 17 . 1 1 34 34 THR CA C 34 64.291 64.291 66.447 -2.156 19954 10946 1 17 . 1 1 34 34 THR CB C 34 66.733 66.733 68.963 -2.230 19954 10947 1 17 . 1 1 34 34 THR H H 34 8.685 8.685 8.035 0.650 19954 10948 1 17 . 1 1 35 35 TYR N N 35 120.298 120.298 122.656 -2.358 19954 10949 1 17 . 1 1 35 35 TYR HA H 35 4.202 4.202 3.984 0.218 19954 10950 1 17 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.615 -1.461 19954 10951 1 17 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.138 -2.127 19954 10952 1 17 . 1 1 35 35 TYR H H 35 7.663 7.663 8.262 -0.599 19954 10953 1 17 . 1 1 36 36 ALA N N 36 121.480 121.480 121.977 -0.497 19954 10954 1 17 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.910 0.002 19954 10955 1 17 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.943 -1.807 19954 10956 1 17 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.293 -3.420 19954 10957 1 17 . 1 1 36 36 ALA H H 36 8.543 8.543 8.439 0.104 19954 10958 1 17 . 1 1 37 37 LEU N N 37 120.767 120.767 119.291 1.476 19954 10959 1 17 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.970 0.133 19954 10960 1 17 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.492 -3.652 19954 10961 1 17 . 1 1 37 37 LEU CB C 37 40.182 40.182 42.099 -1.917 19954 10962 1 17 . 1 1 37 37 LEU H H 37 8.351 8.351 8.146 0.205 19954 10963 1 17 . 1 1 38 38 ASP N N 38 119.008 119.008 118.035 0.973 19954 10964 1 17 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.234 0.222 19954 10965 1 17 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.389 -4.249 19954 10966 1 17 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.088 -2.189 19954 10967 1 17 . 1 1 38 38 ASP H H 38 7.557 7.557 8.046 -0.489 19954 10968 1 17 . 1 1 39 39 HIS N N 39 118.142 118.142 117.173 0.969 19954 10969 1 17 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.677 -0.052 19954 10970 1 17 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.771 -2.625 19954 10971 1 17 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.628 -4.122 19954 10972 1 17 . 1 1 39 39 HIS H H 39 7.094 7.094 7.747 -0.653 19954 10973 1 17 . 1 1 40 40 ILE N N 40 121.885 121.885 122.465 -0.580 19954 10974 1 17 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.875 -0.449 19954 10975 1 17 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.720 0.873 19954 10976 1 17 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.396 -1.223 19954 10977 1 17 . 1 1 40 40 ILE H H 40 7.630 7.630 8.248 -0.618 19954 10978 1 17 . 1 1 41 41 ASP N N 41 114.814 114.814 118.528 -3.714 19954 10979 1 17 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.545 -0.359 19954 10980 1 17 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.019 -0.003 19954 10981 1 17 . 1 1 41 41 ASP CB C 41 36.836 36.836 39.842 -3.006 19954 10982 1 17 . 1 1 41 41 ASP H H 41 8.433 8.433 8.526 -0.093 19954 10983 1 17 . 1 1 42 42 ILE N N 42 113.793 113.793 112.199 1.594 19954 10984 1 17 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.586 0.126 19954 10985 1 17 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.380 -2.139 19954 10986 1 17 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.325 -3.429 19954 10987 1 17 . 1 1 42 42 ILE H H 42 7.447 7.447 7.241 0.206 19954 10988 1 17 . 1 1 43 43 GLU N N 43 120.845 120.845 122.976 -2.131 19954 10989 1 17 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.132 -0.086 19954 10990 1 17 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.647 -2.879 19954 10991 1 17 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.802 -4.785 19954 10992 1 17 . 1 1 43 43 GLU H H 43 8.195 8.195 7.954 0.241 19954 10993 1 17 . 1 1 44 44 SER N N 44 113.781 113.781 116.226 -2.445 19954 10994 1 17 . 1 1 44 44 SER HA H 44 3.944 3.944 4.173 -0.229 19954 10995 1 17 . 1 1 44 44 SER CA C 44 59.590 59.590 61.881 -2.291 19954 10996 1 17 . 1 1 44 44 SER CB C 44 59.878 59.878 62.749 -2.872 19954 10997 1 17 . 1 1 44 44 SER H H 44 8.728 8.728 8.591 0.137 19954 10998 1 17 . 1 1 45 45 LYS N N 45 121.258 121.258 120.163 1.095 19954 10999 1 17 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.085 -0.006 19954 11000 1 17 . 1 1 45 45 LYS CA C 45 56.190 56.190 59.053 -2.863 19954 11001 1 17 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.660 -1.183 19954 11002 1 17 . 1 1 45 45 LYS H H 45 7.329 7.329 8.369 -1.040 19954 11003 1 17 . 1 1 46 46 ILE N N 46 121.022 121.022 121.745 -0.723 19954 11004 1 17 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.896 -0.533 19954 11005 1 17 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.138 -1.881 19954 11006 1 17 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.727 -0.835 19954 11007 1 17 . 1 1 46 46 ILE H H 46 7.360 7.360 8.048 -0.688 19954 11008 1 17 . 1 1 47 47 ILE N N 47 118.543 118.543 119.557 -1.014 19954 11009 1 17 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.650 0.089 19954 11010 1 17 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.271 -5.614 19954 11011 1 17 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.340 -4.212 19954 11012 1 17 . 1 1 47 47 ILE H H 47 9.378 9.378 8.220 1.158 19954 11013 1 17 . 1 1 48 48 SER N N 48 113.001 113.001 114.994 -1.993 19954 11014 1 17 . 1 1 48 48 SER HA H 48 4.016 4.016 4.226 -0.210 19954 11015 1 17 . 1 1 48 48 SER CA C 48 59.574 59.574 61.970 -2.396 19954 11016 1 17 . 1 1 48 48 SER CB C 48 60.341 60.341 62.890 -2.549 19954 11017 1 17 . 1 1 48 48 SER H H 48 7.382 7.382 8.632 -1.250 19954 11018 1 17 . 1 1 49 49 LEU N N 49 120.059 120.059 123.224 -3.165 19954 11019 1 17 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.162 0.008 19954 11020 1 17 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.432 -2.766 19954 11021 1 17 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.069 -2.319 19954 11022 1 17 . 1 1 49 49 LEU H H 49 7.477 7.477 8.297 -0.820 19954 11023 1 17 . 1 1 50 50 ILE N N 50 115.429 115.429 117.522 -2.093 19954 11024 1 17 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.503 0.590 19954 11025 1 17 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.038 -2.234 19954 11026 1 17 . 1 1 50 50 ILE H H 50 8.081 8.081 7.854 0.227 19954 11027 1 17 . 1 1 51 51 ILE N N 51 125.106 125.106 122.039 3.067 19954 11028 1 17 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.566 -0.111 19954 11029 1 17 . 1 1 51 51 ILE CA C 51 64.148 64.148 65.886 -1.738 19954 11030 1 17 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.647 -1.928 19954 11031 1 17 . 1 1 51 51 ILE H H 51 8.194 8.194 8.130 0.064 19954 11032 1 17 . 1 1 52 52 ASP N N 52 119.519 119.519 119.701 -0.182 19954 11033 1 17 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.291 -0.047 19954 11034 1 17 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.014 -3.030 19954 11035 1 17 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.874 -3.009 19954 11036 1 17 . 1 1 52 52 ASP H H 52 7.850 7.850 8.314 -0.464 19954 11037 1 17 . 1 1 53 53 TYR N N 53 118.402 118.402 120.236 -1.834 19954 11038 1 17 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.021 -0.129 19954 11039 1 17 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.096 -1.351 19954 11040 1 17 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.460 -2.596 19954 11041 1 17 . 1 1 53 53 TYR H H 53 8.260 8.260 8.733 -0.473 19954 11042 1 17 . 1 1 54 54 SER N N 54 111.626 111.626 116.382 -4.756 19954 11043 1 17 . 1 1 54 54 SER HA H 54 4.058 4.058 3.919 0.139 19954 11044 1 17 . 1 1 54 54 SER CA C 54 58.733 58.733 61.000 -2.267 19954 11045 1 17 . 1 1 54 54 SER CB C 54 62.430 62.430 63.559 -1.129 19954 11046 1 17 . 1 1 54 54 SER H H 54 7.316 7.316 8.017 -0.701 19954 11047 1 17 . 1 1 55 55 ARG N N 55 114.937 114.937 121.156 -6.219 19954 11048 1 17 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.600 0.572 19954 11049 1 17 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.947 -1.674 19954 11050 1 17 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.555 -1.305 19954 11051 1 17 . 1 1 55 55 ARG H H 55 7.901 7.901 7.443 0.458 19954 11052 1 17 . 1 1 56 56 LEU N N 56 116.307 116.307 118.987 -2.680 19954 11053 1 17 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.054 0.149 19954 11054 1 17 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.792 -3.992 19954 11055 1 17 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.286 -1.418 19954 11056 1 17 . 1 1 56 56 LEU H H 56 7.802 7.802 7.657 0.145 19954 11057 1 17 . 1 1 57 57 CYS N N 57 119.062 119.062 116.573 2.489 19954 11058 1 17 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.226 0.014 19954 11059 1 17 . 1 1 57 57 CYS CA C 57 53.750 53.750 57.787 -4.037 19954 11060 1 17 . 1 1 57 57 CYS CB C 57 22.076 22.076 25.910 -3.834 19954 11061 1 17 . 1 1 57 57 CYS H H 57 7.717 7.717 7.382 0.335 19954 11062 1 17 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.402 -0.057 19954 11063 1 17 . 1 1 58 58 PRO CA C 58 60.482 60.482 64.512 -4.030 19954 11064 1 17 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.088 -1.928 19954 11065 1 17 . 1 1 59 59 ASP N N 59 123.671 123.671 116.653 7.018 19954 11066 1 17 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.210 -0.293 19954 11067 1 17 . 1 1 59 59 ASP CA C 59 55.814 55.814 57.914 -2.100 19954 11068 1 17 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.188 -2.264 19954 11069 1 17 . 1 1 59 59 ASP H H 59 8.696 8.696 8.530 0.166 19954 11070 1 17 . 1 1 60 60 SER N N 60 110.600 110.600 115.384 -4.784 19954 11071 1 17 . 1 1 60 60 SER HA H 60 4.103 4.103 3.968 0.135 19954 11072 1 17 . 1 1 60 60 SER CA C 60 57.379 57.379 61.140 -3.761 19954 11073 1 17 . 1 1 60 60 SER CB C 60 61.562 61.562 62.742 -1.180 19954 11074 1 17 . 1 1 60 60 SER H H 60 8.119 8.119 8.413 -0.294 19954 11075 1 17 . 1 1 61 61 HIS N N 61 122.391 122.391 119.651 2.740 19954 11076 1 17 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.120 0.513 19954 11077 1 17 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.803 -4.089 19954 11078 1 17 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.019 0.923 19954 11079 1 17 . 1 1 61 61 HIS H H 61 8.123 8.123 8.479 -0.356 19954 11080 1 17 . 1 1 62 62 LYS N N 62 121.665 121.665 118.759 2.906 19954 11081 1 17 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.186 0.509 19954 11082 1 17 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.109 -3.349 19954 11083 1 17 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.588 -1.292 19954 11084 1 17 . 1 1 62 62 LYS H H 62 7.512 7.512 6.778 0.734 19954 11085 1 17 . 1 1 63 63 LEU N N 63 117.792 117.792 119.603 -1.811 19954 11086 1 17 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.838 -0.380 19954 11087 1 17 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.075 -0.450 19954 11088 1 17 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.073 -3.024 19954 11089 1 17 . 1 1 63 63 LEU H H 63 8.136 8.136 7.207 0.929 19954 11090 1 17 . 1 1 64 64 GLY N N 64 105.340 105.340 105.662 -0.322 19954 11091 1 17 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.634 -2.087 19954 11092 1 17 . 1 1 64 64 GLY H H 64 8.616 8.616 8.374 0.242 19954 11093 1 17 . 1 1 65 65 SER N N 65 117.745 117.745 118.488 -0.743 19954 11094 1 17 . 1 1 65 65 SER HA H 65 4.265 4.265 4.170 0.095 19954 11095 1 17 . 1 1 65 65 SER CA C 65 58.998 58.998 61.523 -2.525 19954 11096 1 17 . 1 1 65 65 SER CB C 65 67.350 67.350 62.808 4.542 19954 11097 1 17 . 1 1 65 65 SER H H 65 7.894 7.894 7.580 0.314 19954 11098 1 17 . 1 1 66 66 LEU N N 66 124.161 124.161 122.841 1.320 19954 11099 1 17 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.067 0.234 19954 11100 1 17 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.155 -4.100 19954 11101 1 17 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.786 -3.679 19954 11102 1 17 . 1 1 66 66 LEU H H 66 7.407 7.407 7.538 -0.131 19954 11103 1 17 . 1 1 67 67 TYR N N 67 121.466 121.466 117.838 3.628 19954 11104 1 17 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.189 0.355 19954 11105 1 17 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.077 -6.638 19954 11106 1 17 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.583 -3.402 19954 11107 1 17 . 1 1 67 67 TYR H H 67 8.001 8.001 7.948 0.053 19954 11108 1 17 . 1 1 68 68 ILE N N 68 121.357 121.357 120.462 0.895 19954 11109 1 17 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.644 -0.409 19954 11110 1 17 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.157 -1.775 19954 11111 1 17 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.926 -1.846 19954 11112 1 17 . 1 1 68 68 ILE H H 68 7.811 7.811 7.982 -0.171 19954 11113 1 17 . 1 1 69 69 ILE N N 69 117.955 117.955 119.496 -1.541 19954 11114 1 17 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.531 -0.182 19954 11115 1 17 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.806 -2.394 19954 11116 1 17 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.561 -1.642 19954 11117 1 17 . 1 1 69 69 ILE H H 69 6.886 6.886 8.474 -1.588 19954 11118 1 17 . 1 1 70 70 ASP N N 70 118.932 118.932 120.301 -1.369 19954 11119 1 17 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.717 -0.321 19954 11120 1 17 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.298 -2.264 19954 11121 1 17 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.145 0.444 19954 11122 1 17 . 1 1 70 70 ASP H H 70 9.100 9.100 8.364 0.736 19954 11123 1 17 . 1 1 71 71 SER N N 71 110.354 110.354 115.698 -5.344 19954 11124 1 17 . 1 1 71 71 SER HA H 71 4.104 4.104 4.219 -0.115 19954 11125 1 17 . 1 1 71 71 SER CA C 71 58.746 58.746 61.640 -2.894 19954 11126 1 17 . 1 1 71 71 SER CB C 71 61.136 61.136 63.065 -1.929 19954 11127 1 17 . 1 1 71 71 SER H H 71 7.938 7.938 7.899 0.039 19954 11128 1 17 . 1 1 72 72 ILE N N 72 117.565 117.565 120.984 -3.419 19954 11129 1 17 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.525 -0.260 19954 11130 1 17 . 1 1 72 72 ILE CA C 72 63.649 63.649 65.056 -1.407 19954 11131 1 17 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.436 -1.672 19954 11132 1 17 . 1 1 72 72 ILE H H 72 7.912 7.912 7.835 0.077 19954 11133 1 17 . 1 1 73 73 GLY N N 73 107.350 107.350 107.583 -0.233 19954 11134 1 17 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.008 -2.261 19954 11135 1 17 . 1 1 73 73 GLY H H 73 8.847 8.847 8.479 0.368 19954 11136 1 17 . 1 1 74 74 ARG N N 74 118.068 118.068 122.830 -4.762 19954 11137 1 17 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.898 0.052 19954 11138 1 17 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.536 -0.364 19954 11139 1 17 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.157 -2.485 19954 11140 1 17 . 1 1 74 74 ARG H H 74 8.705 8.705 8.146 0.559 19954 11141 1 17 . 1 1 75 75 ALA N N 75 123.817 123.817 122.156 1.661 19954 11142 1 17 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.022 0.194 19954 11143 1 17 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.241 -2.379 19954 11144 1 17 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.450 -3.049 19954 11145 1 17 . 1 1 75 75 ALA H H 75 7.673 7.673 7.939 -0.266 19954 11146 1 17 . 1 1 76 76 TYR N N 76 119.918 119.918 118.849 1.069 19954 11147 1 17 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.156 0.381 19954 11148 1 17 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.029 -4.936 19954 11149 1 17 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.732 -3.929 19954 11150 1 17 . 1 1 76 76 TYR H H 76 8.659 8.659 8.414 0.245 19954 11151 1 17 . 1 1 77 77 LEU N N 77 123.387 123.387 120.536 2.851 19954 11152 1 17 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.842 -0.028 19954 11153 1 17 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.292 -3.117 19954 11154 1 17 . 1 1 77 77 LEU CB C 77 39.874 39.874 40.931 -1.057 19954 11155 1 17 . 1 1 77 77 LEU H H 77 8.756 8.756 8.636 0.120 19954 11156 1 17 . 1 1 78 78 ASP N N 78 120.181 120.181 118.660 1.521 19954 11157 1 17 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.244 0.051 19954 11158 1 17 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.830 -3.027 19954 11159 1 17 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.657 -2.834 19954 11160 1 17 . 1 1 78 78 ASP H H 78 7.891 7.891 8.198 -0.307 19954 11161 1 17 . 1 1 79 79 GLU N N 79 120.503 120.503 118.951 1.552 19954 11162 1 17 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.922 0.096 19954 11163 1 17 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.415 -2.941 19954 11164 1 17 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.291 -2.087 19954 11165 1 17 . 1 1 79 79 GLU H H 79 7.502 7.502 8.010 -0.508 19954 11166 1 17 . 1 1 80 80 THR N N 80 111.013 111.013 114.211 -3.198 19954 11167 1 17 . 1 1 80 80 THR HA H 80 4.151 4.151 3.903 0.248 19954 11168 1 17 . 1 1 80 80 THR CA C 80 61.984 61.984 65.229 -3.245 19954 11169 1 17 . 1 1 80 80 THR CB C 80 67.420 67.420 68.946 -1.526 19954 11170 1 17 . 1 1 80 80 THR H H 80 7.883 7.883 7.730 0.153 19954 11171 1 17 . 1 1 81 81 ARG N N 81 120.172 120.172 119.367 0.805 19954 11172 1 17 . 1 1 81 81 ARG HA H 81 4.079 4.079 3.990 0.089 19954 11173 1 17 . 1 1 81 81 ARG CA C 81 55.137 55.137 59.050 -3.913 19954 11174 1 17 . 1 1 81 81 ARG H H 81 7.471 7.471 8.209 -0.738 19954 11175 1 17 . 1 1 82 82 SER N N 82 113.571 113.571 113.558 0.013 19954 11176 1 17 . 1 1 82 82 SER HA H 82 4.329 4.329 4.231 0.098 19954 11177 1 17 . 1 1 82 82 SER CA C 82 56.193 56.193 60.968 -4.775 19954 11178 1 17 . 1 1 82 82 SER CB C 82 72.312 72.312 63.258 9.054 19954 11179 1 17 . 1 1 82 82 SER H H 82 7.744 7.744 7.997 -0.253 19954 11180 1 17 . 1 1 83 83 ASN N N 83 119.990 119.990 117.361 2.629 19954 11181 1 17 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.853 -0.111 19954 11182 1 17 . 1 1 83 83 ASN CA C 83 50.163 50.163 54.029 -3.865 19954 11183 1 17 . 1 1 83 83 ASN H H 83 7.792 7.792 7.851 -0.059 19954 11184 1 17 . 1 1 84 84 SER N N 84 116.799 116.799 110.913 5.886 19954 11185 1 17 . 1 1 84 84 SER HA H 84 4.291 4.291 4.536 -0.245 19954 11186 1 17 . 1 1 84 84 SER CA C 84 56.325 56.325 57.713 -1.388 19954 11187 1 17 . 1 1 84 84 SER H H 84 8.352 8.352 7.857 0.495 19954 11188 1 17 . 1 1 85 85 ASN N N 85 120.087 120.087 119.418 0.669 19954 11189 1 17 . 1 1 85 85 ASN HA H 85 4.667 4.667 5.040 -0.373 19954 11190 1 17 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.821 -2.013 19954 11191 1 17 . 1 1 85 85 ASN H H 85 8.362 8.362 8.511 -0.149 19954 11192 1 17 . 1 1 86 86 SER N N 86 116.068 116.068 118.572 -2.504 19954 11193 1 17 . 1 1 86 86 SER HA H 86 4.362 4.362 4.666 -0.304 19954 11194 1 17 . 1 1 86 86 SER CA C 86 55.853 55.853 57.564 -1.711 19954 11195 1 17 . 1 1 86 86 SER H H 86 8.102 8.102 8.424 -0.322 19954 11196 1 17 . 1 1 87 87 SER N N 87 117.615 117.615 115.397 2.218 19954 11197 1 17 . 1 1 87 87 SER HA H 87 4.302 4.302 4.655 -0.353 19954 11198 1 17 . 1 1 87 87 SER CA C 87 55.608 55.608 58.704 -3.096 19954 11199 1 17 . 1 1 87 87 SER H H 87 8.269 8.269 8.392 -0.123 19954 11200 1 17 . 1 1 88 88 SER N N 88 122.455 122.455 119.491 2.964 19954 11201 1 17 . 1 1 88 88 SER CA C 88 53.710 53.710 58.751 -5.041 19954 11202 1 17 . 1 1 88 88 SER H H 88 8.377 8.377 8.822 -0.445 19954 11203 1 17 . 1 1 89 89 ASN N N 89 115.430 115.430 117.904 -2.474 19954 11204 1 17 . 1 1 89 89 ASN CA C 89 58.900 58.900 55.104 3.796 19954 11205 1 17 . 1 1 89 89 ASN H H 89 8.141 8.141 8.861 -0.720 19954 11206 1 17 . 1 1 90 90 LYS N N 90 128.071 128.071 114.430 13.641 19954 11207 1 17 . 1 1 90 90 LYS CA C 90 55.381 55.381 53.709 1.672 19954 11208 1 17 . 1 1 90 90 LYS H H 90 7.961 7.961 7.487 0.474 19954 11209 1 17 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.586 -1.181 19954 11210 1 17 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.843 -2.223 19954 11211 1 17 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.293 -3.600 19954 11212 1 17 . 1 1 92 92 GLY N N 92 112.403 112.403 104.704 7.699 19954 11213 1 17 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.292 -2.987 19954 11214 1 17 . 1 1 92 92 GLY H H 92 10.139 10.139 8.525 1.614 19954 11215 1 17 . 1 1 93 93 THR N N 93 106.254 106.254 111.539 -5.285 19954 11216 1 17 . 1 1 93 93 THR HA H 93 4.527 4.527 5.116 -0.589 19954 11217 1 17 . 1 1 93 93 THR CA C 93 56.663 56.663 59.854 -3.191 19954 11218 1 17 . 1 1 93 93 THR CB C 93 70.927 70.927 71.001 -0.074 19954 11219 1 17 . 1 1 93 93 THR H H 93 7.180 7.180 7.372 -0.192 19954 11220 1 17 . 1 1 94 94 CYS N N 94 121.465 121.465 117.728 3.737 19954 11221 1 17 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.730 -0.280 19954 11222 1 17 . 1 1 94 94 CYS CA C 94 60.867 60.867 62.038 -1.171 19954 11223 1 17 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.194 -1.948 19954 11224 1 17 . 1 1 94 94 CYS H H 94 8.777 8.777 8.467 0.310 19954 11225 1 17 . 1 1 95 95 ALA N N 95 119.619 119.619 124.404 -4.785 19954 11226 1 17 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.813 0.029 19954 11227 1 17 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.389 -2.644 19954 11228 1 17 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.845 -2.141 19954 11229 1 17 . 1 1 95 95 ALA H H 95 8.392 8.392 8.345 0.047 19954 11230 1 17 . 1 1 96 96 HIS N N 96 118.081 118.081 119.037 -0.956 19954 11231 1 17 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.180 0.026 19954 11232 1 17 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.801 -2.110 19954 11233 1 17 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.496 -2.412 19954 11234 1 17 . 1 1 96 96 HIS H H 96 7.631 7.631 8.441 -0.810 19954 11235 1 17 . 1 1 97 97 ALA N N 97 123.652 123.652 122.768 0.884 19954 11236 1 17 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.226 -0.285 19954 11237 1 17 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.318 -2.160 19954 11238 1 17 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.552 -0.888 19954 11239 1 17 . 1 1 97 97 ALA H H 97 7.347 7.347 7.840 -0.493 19954 11240 1 17 . 1 1 98 98 ILE N N 98 115.278 115.278 118.754 -3.476 19954 11241 1 17 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.423 0.101 19954 11242 1 17 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.046 -3.062 19954 11243 1 17 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.421 -1.754 19954 11244 1 17 . 1 1 98 98 ILE H H 98 7.916 7.916 8.566 -0.650 19954 11245 1 17 . 1 1 99 99 ASN N N 99 120.684 120.684 118.038 2.646 19954 11246 1 17 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.384 0.020 19954 11247 1 17 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.496 -2.357 19954 11248 1 17 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.098 -1.853 19954 11249 1 17 . 1 1 99 99 ASN H H 99 7.978 7.978 7.918 0.060 19954 11250 1 17 . 1 1 100 100 THR N N 100 117.791 117.791 116.995 0.796 19954 11251 1 17 . 1 1 100 100 THR HA H 100 3.630 3.630 3.942 -0.312 19954 11252 1 17 . 1 1 100 100 THR CA C 100 63.899 63.899 66.163 -2.264 19954 11253 1 17 . 1 1 100 100 THR CB C 100 66.038 66.038 68.739 -2.701 19954 11254 1 17 . 1 1 100 100 THR H H 100 8.295 8.295 8.170 0.125 19954 11255 1 17 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.916 -0.198 19954 11256 1 17 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.085 -3.660 19954 11257 1 17 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.555 -0.367 19954 11258 1 17 . 1 1 101 101 LEU H H 101 7.825 7.825 8.358 -0.533 19954 11259 1 17 . 1 1 102 102 GLY N N 102 105.767 105.767 103.868 1.899 19954 11260 1 17 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.947 -1.606 19954 11261 1 17 . 1 1 102 102 GLY H H 102 8.591 8.591 8.263 0.328 19954 11262 1 17 . 1 1 103 103 GLU N N 103 116.366 116.366 119.756 -3.390 19954 11263 1 17 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.352 -0.285 19954 11264 1 17 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.976 -2.530 19954 11265 1 17 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.155 -2.778 19954 11266 1 17 . 1 1 103 103 GLU H H 103 7.471 7.471 7.903 -0.432 19954 11267 1 17 . 1 1 104 104 VAL N N 104 108.377 108.377 112.675 -4.298 19954 11268 1 17 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.465 0.291 19954 11269 1 17 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.658 -4.803 19954 11270 1 17 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.649 -2.771 19954 11271 1 17 . 1 1 104 104 VAL H H 104 7.016 7.016 7.833 -0.817 19954 11272 1 17 . 1 1 105 105 ILE N N 105 123.784 123.784 122.878 0.906 19954 11273 1 17 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.634 0.120 19954 11274 1 17 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.722 -6.322 19954 11275 1 17 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.840 -2.429 19954 11276 1 17 . 1 1 105 105 ILE H H 105 7.197 7.197 8.737 -1.540 19954 11277 1 17 . 1 1 106 106 GLN N N 106 121.117 121.117 118.463 2.654 19954 11278 1 17 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.783 -0.128 19954 11279 1 17 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.185 -0.851 19954 11280 1 17 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.264 -0.372 19954 11281 1 17 . 1 1 106 106 GLN H H 106 8.549 8.549 8.627 -0.078 19954 11282 1 17 . 1 1 107 107 GLU N N 107 122.716 122.716 121.557 1.159 19954 11283 1 17 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.079 -0.242 19954 11284 1 17 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.631 -2.043 19954 11285 1 17 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.925 -2.391 19954 11286 1 17 . 1 1 107 107 GLU H H 107 7.762 7.762 7.996 -0.234 19954 11287 1 17 . 1 1 108 108 LEU N N 108 116.615 116.615 121.319 -4.704 19954 11288 1 17 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.983 -0.004 19954 11289 1 17 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.902 -3.108 19954 11290 1 17 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.623 -3.126 19954 11291 1 17 . 1 1 108 108 LEU H H 108 8.016 8.016 7.583 0.433 19954 11292 1 17 . 1 1 109 109 LEU N N 109 118.708 118.708 119.130 -0.422 19954 11293 1 17 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.799 0.041 19954 11294 1 17 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.845 -3.119 19954 11295 1 17 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.673 -0.351 19954 11296 1 17 . 1 1 109 109 LEU H H 109 8.801 8.801 8.494 0.307 19954 11297 1 17 . 1 1 110 110 SER N N 110 114.083 114.083 114.139 -0.056 19954 11298 1 17 . 1 1 110 110 SER HA H 110 3.848 3.848 3.358 0.490 19954 11299 1 17 . 1 1 110 110 SER CA C 110 60.127 60.127 61.392 -1.265 19954 11300 1 17 . 1 1 110 110 SER CB C 110 60.300 60.300 61.949 -1.649 19954 11301 1 17 . 1 1 110 110 SER H H 110 8.161 8.161 7.952 0.209 19954 11302 1 17 . 1 1 111 111 ASP N N 111 120.151 120.151 122.839 -2.688 19954 11303 1 17 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.231 0.111 19954 11304 1 17 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.074 -2.307 19954 11305 1 17 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.300 -0.556 19954 11306 1 17 . 1 1 111 111 ASP H H 111 7.614 7.614 8.007 -0.393 19954 11307 1 17 . 1 1 112 112 ALA N N 112 116.927 116.927 122.440 -5.513 19954 11308 1 17 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.896 -0.307 19954 11309 1 17 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.134 -2.411 19954 11310 1 17 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.582 -0.935 19954 11311 1 17 . 1 1 112 112 ALA H H 112 7.662 7.662 7.852 -0.190 19954 11312 1 17 . 1 1 113 113 ILE N N 113 119.039 119.039 117.893 1.146 19954 11313 1 17 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.555 -0.328 19954 11314 1 17 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.651 -0.971 19954 11315 1 17 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.716 -1.557 19954 11316 1 17 . 1 1 113 113 ILE H H 113 8.681 8.681 8.109 0.572 19954 11317 1 17 . 1 1 114 114 ALA N N 114 120.055 120.055 121.677 -1.622 19954 11318 1 17 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.995 -0.088 19954 11319 1 17 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.754 -2.166 19954 11320 1 17 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.797 -2.666 19954 11321 1 17 . 1 1 114 114 ALA H H 114 7.716 7.716 8.154 -0.438 19954 11322 1 17 . 1 1 115 115 LYS N N 115 113.845 113.845 117.593 -3.748 19954 11323 1 17 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.161 -0.078 19954 11324 1 17 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.376 -3.421 19954 11325 1 17 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.417 -0.784 19954 11326 1 17 . 1 1 115 115 LYS H H 115 7.248 7.248 7.996 -0.748 19954 11327 1 17 . 1 1 116 116 SER N N 116 115.794 115.794 113.964 1.830 19954 11328 1 17 . 1 1 116 116 SER HA H 116 4.503 4.503 4.600 -0.097 19954 11329 1 17 . 1 1 116 116 SER CA C 116 57.848 57.848 59.059 -1.211 19954 11330 1 17 . 1 1 116 116 SER CB C 116 63.380 63.380 64.093 -0.713 19954 11331 1 17 . 1 1 116 116 SER H H 116 7.124 7.124 7.926 -0.802 19954 11332 1 17 . 1 1 117 117 ASN N N 117 119.747 119.747 120.481 -0.734 19954 11333 1 17 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.904 -0.382 19954 11334 1 17 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.151 -2.809 19954 11335 1 17 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.175 -3.893 19954 11336 1 17 . 1 1 117 117 ASN H H 117 8.457 8.457 7.818 0.639 19954 11337 1 17 . 1 1 118 118 GLN N N 118 117.591 117.591 118.345 -0.754 19954 11338 1 17 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.872 -0.095 19954 11339 1 17 . 1 1 118 118 GLN CA C 118 57.184 57.184 59.709 -2.525 19954 11340 1 17 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.122 3.419 19954 11341 1 17 . 1 1 118 118 GLN H H 118 8.418 8.418 8.826 -0.408 19954 11342 1 17 . 1 1 119 119 ASP N N 119 119.281 119.281 118.612 0.669 19954 11343 1 17 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.394 -0.104 19954 11344 1 17 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.383 -2.790 19954 11345 1 17 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.238 -1.335 19954 11346 1 17 . 1 1 119 119 ASP H H 119 7.973 7.973 8.640 -0.667 19954 11347 1 17 . 1 1 120 120 HIS N N 120 118.871 118.871 117.636 1.235 19954 11348 1 17 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.102 0.238 19954 11349 1 17 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.927 -3.169 19954 11350 1 17 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.645 -1.917 19954 11351 1 17 . 1 1 120 120 HIS H H 120 8.702 8.702 8.084 0.618 19954 11352 1 17 . 1 1 121 121 LYS N N 121 120.739 120.739 118.599 2.140 19954 11353 1 17 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.887 -0.119 19954 11354 1 17 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.694 -0.009 19954 11355 1 17 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.265 -0.341 19954 11356 1 17 . 1 1 121 121 LYS H H 121 8.990 8.990 8.733 0.257 19954 11357 1 17 . 1 1 122 122 GLU N N 122 117.889 117.889 120.065 -2.176 19954 11358 1 17 . 1 1 122 122 GLU HA H 122 4.062 4.062 3.977 0.085 19954 11359 1 17 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.489 -3.384 19954 11360 1 17 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.510 -2.819 19954 11361 1 17 . 1 1 122 122 GLU H H 122 7.615 7.615 7.756 -0.141 19954 11362 1 17 . 1 1 123 123 LYS N N 123 119.139 119.139 118.608 0.531 19954 11363 1 17 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.028 -0.069 19954 11364 1 17 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.669 -2.067 19954 11365 1 17 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.863 -1.640 19954 11366 1 17 . 1 1 123 123 LYS H H 123 7.550 7.550 7.676 -0.126 19954 11367 1 17 . 1 1 124 124 ILE N N 124 123.103 123.103 119.854 3.249 19954 11368 1 17 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.542 -0.316 19954 11369 1 17 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.651 -1.967 19954 11370 1 17 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.503 -2.760 19954 11371 1 17 . 1 1 124 124 ILE H H 124 8.356 8.356 7.894 0.462 19954 11372 1 17 . 1 1 125 125 ARG N N 125 122.162 122.162 119.902 2.260 19954 11373 1 17 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.875 -0.769 19954 11374 1 17 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.521 -1.497 19954 11375 1 17 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.092 1.879 19954 11376 1 17 . 1 1 125 125 ARG H H 125 7.988 7.988 8.014 -0.026 19954 11377 1 17 . 1 1 126 126 MET N N 126 115.215 115.215 119.106 -3.891 19954 11378 1 17 . 1 1 126 126 MET HA H 126 3.973 3.973 4.142 -0.169 19954 11379 1 17 . 1 1 126 126 MET CA C 126 55.896 55.896 57.787 -1.891 19954 11380 1 17 . 1 1 126 126 MET CB C 126 29.856 29.856 31.903 -2.047 19954 11381 1 17 . 1 1 126 126 MET H H 126 7.455 7.455 7.822 -0.367 19954 11382 1 17 . 1 1 127 127 LEU N N 127 122.351 122.351 120.473 1.878 19954 11383 1 17 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.668 -0.116 19954 11384 1 17 . 1 1 127 127 LEU CA C 127 54.788 54.788 58.056 -3.268 19954 11385 1 17 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.178 -1.900 19954 11386 1 17 . 1 1 127 127 LEU H H 127 7.479 7.479 7.771 -0.292 19954 11387 1 17 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.856 0.027 19954 11388 1 17 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.801 -3.454 19954 11389 1 17 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.669 -2.860 19954 11390 1 17 . 1 1 128 128 LEU H H 128 7.841 7.841 7.973 -0.132 19954 11391 1 17 . 1 1 129 129 ASP N N 129 116.915 116.915 119.553 -2.638 19954 11392 1 17 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.510 -0.123 19954 11393 1 17 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.526 -4.927 19954 11394 1 17 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.755 -2.889 19954 11395 1 17 . 1 1 129 129 ASP H H 129 7.034 7.034 7.843 -0.809 19954 11396 1 17 . 1 1 130 130 ILE N N 130 124.155 124.155 120.091 4.064 19954 11397 1 17 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.650 -0.007 19954 11398 1 17 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.648 -2.272 19954 11399 1 17 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.858 -3.074 19954 11400 1 17 . 1 1 130 130 ILE H H 130 7.671 7.671 7.598 0.073 19954 11401 1 17 . 1 1 131 131 TRP N N 131 125.421 125.421 120.665 4.756 19954 11402 1 17 . 1 1 131 131 TRP H H 131 8.831 8.831 7.917 0.914 19954 11403 1 17 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.856 2.583 19954 11404 1 17 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.331 0.152 19954 11405 1 17 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.041 -4.304 19954 11406 1 17 . 1 1 144 144 ALA N N 144 121.013 121.013 124.305 -3.292 19954 11407 1 17 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.168 -0.064 19954 11408 1 17 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.710 -2.032 19954 11409 1 17 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.767 -3.391 19954 11410 1 17 . 1 1 144 144 ALA H H 144 8.212 8.212 8.135 0.077 19954 11411 1 17 . 1 1 145 145 ILE N N 145 117.646 117.646 115.805 1.841 19954 11412 1 17 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.870 -0.042 19954 11413 1 17 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.992 -4.648 19954 11414 1 17 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.495 0.647 19954 11415 1 17 . 1 1 145 145 ILE H H 145 7.183 7.183 7.846 -0.663 19954 11416 1 17 . 1 1 146 146 ARG N N 146 121.150 121.150 120.950 0.200 19954 11417 1 17 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.846 0.056 19954 11418 1 17 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.666 -0.201 19954 11419 1 17 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.923 -2.140 19954 11420 1 17 . 1 1 146 146 ARG H H 146 8.477 8.477 7.613 0.864 19954 11421 1 17 . 1 1 147 147 SER N N 147 111.836 111.836 115.988 -4.152 19954 11422 1 17 . 1 1 147 147 SER HA H 147 4.162 4.162 4.324 -0.162 19954 11423 1 17 . 1 1 147 147 SER CA C 147 58.642 58.642 58.703 -0.061 19954 11424 1 17 . 1 1 147 147 SER CB C 147 60.972 60.972 62.659 -1.687 19954 11425 1 17 . 1 1 147 147 SER H H 147 8.187 8.187 7.861 0.326 19954 11426 1 17 . 1 1 148 148 LYS N N 148 118.675 118.675 127.972 -9.297 19954 11427 1 17 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.959 0.179 19954 11428 1 17 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.636 -3.619 19954 11429 1 17 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.708 0.072 19954 11430 1 17 . 1 1 148 148 LYS H H 148 7.837 7.837 8.356 -0.519 19954 11431 1 17 . 1 1 149 149 CYS N N 149 113.256 113.256 118.733 -5.477 19954 11432 1 17 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.057 0.535 19954 11433 1 17 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.468 -10.456 19954 11434 1 17 . 1 1 149 149 CYS H H 149 8.267 8.267 8.101 0.166 19954 11435 1 17 . 1 1 150 150 PHE N N 150 116.623 116.623 120.303 -3.680 19954 11436 1 17 . 1 1 150 150 PHE HA H 150 4.944 4.944 3.984 0.960 19954 11437 1 17 . 1 1 150 150 PHE CA C 150 54.409 54.409 62.030 -7.621 19954 11438 1 17 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.904 -0.851 19954 11439 1 17 . 1 1 150 150 PHE H H 150 7.373 7.373 8.421 -1.048 19954 11440 1 17 . 1 1 151 151 ALA N N 151 122.583 122.583 121.261 1.322 19954 11441 1 17 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.871 0.308 19954 11442 1 17 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.329 -4.688 19954 11443 1 17 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.401 -2.462 19954 11444 1 17 . 1 1 151 151 ALA H H 151 7.710 7.710 8.531 -0.821 19954 11445 1 17 . 1 1 152 152 MET N N 152 118.250 118.250 117.260 0.990 19954 11446 1 17 . 1 1 152 152 MET HA H 152 4.262 4.262 4.097 0.165 19954 11447 1 17 . 1 1 152 152 MET CA C 152 53.482 53.482 58.739 -5.257 19954 11448 1 17 . 1 1 152 152 MET CB C 152 30.488 30.488 32.501 -2.013 19954 11449 1 17 . 1 1 152 152 MET H H 152 8.086 8.086 8.131 -0.045 19954 11450 1 17 . 1 1 153 153 ASP N N 153 121.780 121.780 120.184 1.596 19954 11451 1 17 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.355 0.123 19954 11452 1 17 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.919 -5.293 19954 11453 1 17 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.360 -2.900 19954 11454 1 17 . 1 1 153 153 ASP H H 153 8.299 8.299 7.941 0.358 19954 11455 1 17 . 1 1 154 154 LEU N N 154 122.337 122.337 116.984 5.353 19954 11456 1 17 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.037 0.071 19954 11457 1 17 . 1 1 154 154 LEU CA C 154 52.853 52.853 56.566 -3.713 19954 11458 1 17 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.532 -1.815 19954 11459 1 17 . 1 1 154 154 LEU H H 154 8.072 8.072 7.813 0.259 19954 11460 1 17 . 1 1 155 155 GLU N N 155 119.995 119.995 118.543 1.452 19954 11461 1 17 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.091 -0.096 19954 11462 1 17 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.134 -2.835 19954 11463 1 17 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.217 -1.583 19954 11464 1 17 . 1 1 155 155 GLU H H 155 8.151 8.151 7.896 0.255 19954 11465 1 17 . 1 1 156 156 HIS N N 156 118.980 118.980 121.708 -2.728 19954 11466 1 17 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.258 -0.038 19954 11467 1 17 . 1 1 156 156 HIS CA C 156 53.443 53.443 57.094 -3.651 19954 11468 1 17 . 1 1 156 156 HIS H H 156 8.007 8.007 8.252 -0.245 19954 11469 1 17 . 1 1 157 157 HIS N N 157 121.956 121.956 118.100 3.856 19954 11470 1 17 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.495 -0.084 19954 11471 1 17 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.553 -4.301 19954 11472 1 17 . 1 1 157 157 HIS H H 157 8.580 8.580 8.413 0.167 19954 11473 1 17 . 1 1 158 158 HIS N N 158 125.474 125.474 120.203 5.271 19954 11474 1 17 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.407 -0.779 19954 11475 1 17 . 1 1 158 158 HIS H H 158 7.906 7.906 8.443 -0.537 19954 11476 1 18 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.597 -0.282 19954 11477 1 18 . 1 1 4 4 ASP CA C 4 51.714 51.714 54.498 -2.784 19954 11478 1 18 . 1 1 5 5 ASP N N 5 120.880 120.880 119.320 1.560 19954 11479 1 18 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.450 0.004 19954 11480 1 18 . 1 1 5 5 ASP CA C 5 52.575 52.575 55.075 -2.500 19954 11481 1 18 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.387 -2.663 19954 11482 1 18 . 1 1 5 5 ASP H H 5 8.277 8.277 8.622 -0.345 19954 11483 1 18 . 1 1 6 6 ASP N N 6 120.876 120.876 118.261 2.615 19954 11484 1 18 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.842 -0.360 19954 11485 1 18 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.104 -0.142 19954 11486 1 18 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.060 -3.502 19954 11487 1 18 . 1 1 6 6 ASP H H 6 8.497 8.497 7.921 0.576 19954 11488 1 18 . 1 1 7 7 PHE N N 7 122.789 122.789 119.671 3.118 19954 11489 1 18 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.370 -0.261 19954 11490 1 18 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.389 -1.520 19954 11491 1 18 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.630 -2.963 19954 11492 1 18 . 1 1 7 7 PHE H H 7 8.337 8.337 8.753 -0.416 19954 11493 1 18 . 1 1 8 8 GLN N N 8 116.255 116.255 120.080 -3.825 19954 11494 1 18 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.843 -0.094 19954 11495 1 18 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.864 -4.138 19954 11496 1 18 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.254 -3.466 19954 11497 1 18 . 1 1 8 8 GLN H H 8 8.488 8.488 8.461 0.027 19954 11498 1 18 . 1 1 9 9 ASN N N 9 118.242 118.242 118.468 -0.226 19954 11499 1 18 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.297 0.017 19954 11500 1 18 . 1 1 9 9 ASN CA C 9 53.575 53.575 55.756 -2.181 19954 11501 1 18 . 1 1 9 9 ASN CB C 9 36.253 36.253 37.604 -1.351 19954 11502 1 18 . 1 1 9 9 ASN H H 9 7.801 7.801 7.917 -0.116 19954 11503 1 18 . 1 1 10 10 PHE N N 10 124.982 124.982 121.030 3.952 19954 11504 1 18 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.651 -0.197 19954 11505 1 18 . 1 1 10 10 PHE CA C 10 58.994 58.994 60.902 -1.908 19954 11506 1 18 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.167 -3.132 19954 11507 1 18 . 1 1 10 10 PHE H H 10 6.924 6.924 7.046 -0.122 19954 11508 1 18 . 1 1 11 11 VAL N N 11 118.513 118.513 118.409 0.104 19954 11509 1 18 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.012 -0.178 19954 11510 1 18 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.080 -1.849 19954 11511 1 18 . 1 1 11 11 VAL CB C 11 30.078 30.078 30.908 -0.830 19954 11512 1 18 . 1 1 11 11 VAL H H 11 7.448 7.448 7.753 -0.305 19954 11513 1 18 . 1 1 12 12 ALA N N 12 119.214 119.214 121.611 -2.397 19954 11514 1 18 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.851 0.033 19954 11515 1 18 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.697 -3.271 19954 11516 1 18 . 1 1 12 12 ALA CB C 12 15.649 15.649 18.101 -2.452 19954 11517 1 18 . 1 1 12 12 ALA H H 12 8.028 8.028 8.559 -0.531 19954 11518 1 18 . 1 1 13 13 THR N N 13 116.435 116.435 115.901 0.534 19954 11519 1 18 . 1 1 13 13 THR HA H 13 3.624 3.624 3.875 -0.251 19954 11520 1 18 . 1 1 13 13 THR CA C 13 64.041 64.041 65.870 -1.829 19954 11521 1 18 . 1 1 13 13 THR CB C 13 65.118 65.118 68.213 -3.095 19954 11522 1 18 . 1 1 13 13 THR H H 13 7.638 7.638 7.960 -0.322 19954 11523 1 18 . 1 1 14 14 LEU N N 14 126.284 126.284 122.001 4.283 19954 11524 1 18 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.536 0.094 19954 11525 1 18 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.841 -2.354 19954 11526 1 18 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.243 -2.391 19954 11527 1 18 . 1 1 14 14 LEU H H 14 7.975 7.975 7.406 0.569 19954 11528 1 18 . 1 1 15 15 GLU N N 15 116.145 116.145 118.103 -1.958 19954 11529 1 18 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.875 -0.058 19954 11530 1 18 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.696 -3.302 19954 11531 1 18 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.041 -2.133 19954 11532 1 18 . 1 1 15 15 GLU H H 15 8.503 8.503 8.360 0.143 19954 11533 1 18 . 1 1 16 16 SER N N 16 114.452 114.452 114.544 -0.092 19954 11534 1 18 . 1 1 16 16 SER HA H 16 4.196 4.196 4.229 -0.033 19954 11535 1 18 . 1 1 16 16 SER CA C 16 58.515 58.515 60.964 -2.449 19954 11536 1 18 . 1 1 16 16 SER CB C 16 60.155 60.155 62.819 -2.664 19954 11537 1 18 . 1 1 16 16 SER H H 16 7.643 7.643 7.975 -0.332 19954 11538 1 18 . 1 1 17 17 PHE N N 17 124.020 124.020 122.032 1.988 19954 11539 1 18 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.113 -0.289 19954 11540 1 18 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.172 -1.837 19954 11541 1 18 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.919 -2.065 19954 11542 1 18 . 1 1 17 17 PHE H H 17 8.082 8.082 7.984 0.098 19954 11543 1 18 . 1 1 18 18 LYS N N 18 116.570 116.570 118.038 -1.468 19954 11544 1 18 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.075 -0.128 19954 11545 1 18 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.924 -2.069 19954 11546 1 18 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.821 -2.369 19954 11547 1 18 . 1 1 18 18 LYS H H 18 7.849 7.849 7.751 0.098 19954 11548 1 18 . 1 1 19 19 ASP N N 19 116.332 116.332 119.144 -2.812 19954 11549 1 18 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.471 0.068 19954 11550 1 18 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.842 -3.685 19954 11551 1 18 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.388 -2.685 19954 11552 1 18 . 1 1 19 19 ASP H H 19 7.276 7.276 7.707 -0.431 19954 11553 1 18 . 1 1 20 20 LEU N N 20 119.769 119.769 119.874 -0.105 19954 11554 1 18 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.122 0.277 19954 11555 1 18 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.677 -4.678 19954 11556 1 18 . 1 1 20 20 LEU H H 20 7.226 7.226 7.685 -0.459 19954 11557 1 18 . 1 1 21 21 LYS N N 21 126.041 126.041 119.640 6.401 19954 11558 1 18 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.218 -0.155 19954 11559 1 18 . 1 1 21 21 LYS CA C 21 56.849 56.849 58.668 -1.819 19954 11560 1 18 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.572 -0.938 19954 11561 1 18 . 1 1 21 21 LYS H H 21 9.203 9.203 8.536 0.667 19954 11562 1 18 . 1 1 22 22 SER N N 22 109.885 109.885 114.102 -4.217 19954 11563 1 18 . 1 1 22 22 SER HA H 22 4.322 4.322 4.465 -0.143 19954 11564 1 18 . 1 1 22 22 SER CA C 22 55.254 55.254 58.008 -2.754 19954 11565 1 18 . 1 1 22 22 SER CB C 22 62.254 62.254 63.675 -1.421 19954 11566 1 18 . 1 1 22 22 SER H H 22 8.607 8.607 8.010 0.597 19954 11567 1 18 . 1 1 23 23 GLY N N 23 106.286 106.286 107.979 -1.693 19954 11568 1 18 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.574 -0.594 19954 11569 1 18 . 1 1 23 23 GLY H H 23 6.619 6.619 8.214 -1.595 19954 11570 1 18 . 1 1 24 24 ILE N N 24 118.883 118.883 117.496 1.387 19954 11571 1 18 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.155 -0.171 19954 11572 1 18 . 1 1 24 24 ILE CA C 24 59.167 59.167 58.353 0.814 19954 11573 1 18 . 1 1 24 24 ILE CB C 24 39.646 39.646 40.769 -1.123 19954 11574 1 18 . 1 1 24 24 ILE H H 24 7.929 7.929 7.365 0.564 19954 11575 1 18 . 1 1 25 25 SER N N 25 117.952 117.952 119.399 -1.447 19954 11576 1 18 . 1 1 25 25 SER HA H 25 5.093 5.093 4.648 0.445 19954 11577 1 18 . 1 1 25 25 SER CA C 25 52.534 52.534 58.150 -5.616 19954 11578 1 18 . 1 1 25 25 SER CB C 25 61.938 61.938 66.124 -4.186 19954 11579 1 18 . 1 1 25 25 SER H H 25 5.660 5.660 8.746 -3.086 19954 11580 1 18 . 1 1 26 26 GLY N N 26 120.266 120.266 114.928 5.338 19954 11581 1 18 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.517 -2.030 19954 11582 1 18 . 1 1 26 26 GLY H H 26 8.596 8.596 8.892 -0.296 19954 11583 1 18 . 1 1 27 27 SER N N 27 120.500 120.500 115.952 4.548 19954 11584 1 18 . 1 1 27 27 SER HA H 27 4.410 4.410 4.128 0.282 19954 11585 1 18 . 1 1 27 27 SER CA C 27 58.793 58.793 62.034 -3.241 19954 11586 1 18 . 1 1 27 27 SER CB C 27 62.224 62.224 62.997 -0.773 19954 11587 1 18 . 1 1 27 27 SER H H 27 9.846 9.846 8.645 1.201 19954 11588 1 18 . 1 1 28 28 ARG N N 28 123.779 123.779 120.110 3.669 19954 11589 1 18 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.981 -0.096 19954 11590 1 18 . 1 1 28 28 ARG CA C 28 56.840 56.840 58.447 -1.607 19954 11591 1 18 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.655 -1.541 19954 11592 1 18 . 1 1 28 28 ARG H H 28 8.034 8.034 7.985 0.049 19954 11593 1 18 . 1 1 29 29 ILE N N 29 120.700 120.700 120.358 0.342 19954 11594 1 18 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.285 0.187 19954 11595 1 18 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.189 -0.560 19954 11596 1 18 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.253 -1.585 19954 11597 1 18 . 1 1 29 29 ILE H H 29 8.374 8.374 8.047 0.327 19954 11598 1 18 . 1 1 30 30 LYS N N 30 124.209 124.209 120.396 3.813 19954 11599 1 18 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.859 0.169 19954 11600 1 18 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.079 -2.678 19954 11601 1 18 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.218 -2.938 19954 11602 1 18 . 1 1 30 30 LYS H H 30 8.231 8.231 8.390 -0.159 19954 11603 1 18 . 1 1 31 31 LYS N N 31 120.422 120.422 119.174 1.248 19954 11604 1 18 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.036 0.002 19954 11605 1 18 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.005 -1.387 19954 11606 1 18 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.035 -1.865 19954 11607 1 18 . 1 1 31 31 LYS H H 31 7.449 7.449 7.765 -0.316 19954 11608 1 18 . 1 1 32 32 LEU N N 32 118.348 118.348 119.318 -0.970 19954 11609 1 18 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.104 -0.043 19954 11610 1 18 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.559 -3.149 19954 11611 1 18 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.492 -1.710 19954 11612 1 18 . 1 1 32 32 LEU H H 32 8.186 8.186 7.967 0.219 19954 11613 1 18 . 1 1 33 33 THR N N 33 116.500 116.500 115.546 0.954 19954 11614 1 18 . 1 1 33 33 THR HA H 33 3.662 3.662 3.851 -0.189 19954 11615 1 18 . 1 1 33 33 THR CA C 33 64.726 64.726 67.456 -2.730 19954 11616 1 18 . 1 1 33 33 THR CB C 33 66.097 66.097 68.353 -2.256 19954 11617 1 18 . 1 1 33 33 THR H H 33 8.066 8.066 8.414 -0.348 19954 11618 1 18 . 1 1 34 34 THR N N 34 119.029 119.029 117.508 1.521 19954 11619 1 18 . 1 1 34 34 THR HA H 34 3.759 3.759 3.907 -0.148 19954 11620 1 18 . 1 1 34 34 THR CA C 34 64.291 64.291 66.055 -1.764 19954 11621 1 18 . 1 1 34 34 THR CB C 34 66.733 66.733 68.782 -2.049 19954 11622 1 18 . 1 1 34 34 THR H H 34 8.685 8.685 7.990 0.695 19954 11623 1 18 . 1 1 35 35 TYR N N 35 120.298 120.298 122.981 -2.683 19954 11624 1 18 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.066 0.136 19954 11625 1 18 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.774 -1.620 19954 11626 1 18 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.077 -2.067 19954 11627 1 18 . 1 1 35 35 TYR H H 35 7.663 7.663 8.160 -0.497 19954 11628 1 18 . 1 1 36 36 ALA N N 36 121.480 121.480 121.992 -0.512 19954 11629 1 18 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.900 0.012 19954 11630 1 18 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.959 -1.823 19954 11631 1 18 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.441 -3.568 19954 11632 1 18 . 1 1 36 36 ALA H H 36 8.543 8.543 8.414 0.129 19954 11633 1 18 . 1 1 37 37 LEU N N 37 120.767 120.767 118.776 1.991 19954 11634 1 18 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.943 0.160 19954 11635 1 18 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.416 -3.576 19954 11636 1 18 . 1 1 37 37 LEU CB C 37 40.182 40.182 42.021 -1.839 19954 11637 1 18 . 1 1 37 37 LEU H H 37 8.351 8.351 8.096 0.255 19954 11638 1 18 . 1 1 38 38 ASP N N 38 119.008 119.008 117.466 1.542 19954 11639 1 18 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.212 0.244 19954 11640 1 18 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.057 -3.917 19954 11641 1 18 . 1 1 38 38 ASP CB C 38 38.899 38.899 40.972 -2.073 19954 11642 1 18 . 1 1 38 38 ASP H H 38 7.557 7.557 8.060 -0.503 19954 11643 1 18 . 1 1 39 39 HIS N N 39 118.142 118.142 117.292 0.850 19954 11644 1 18 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.694 -0.069 19954 11645 1 18 . 1 1 39 39 HIS CA C 39 52.146 52.146 53.898 -1.752 19954 11646 1 18 . 1 1 39 39 HIS CB C 39 25.506 25.506 28.884 -3.378 19954 11647 1 18 . 1 1 39 39 HIS H H 39 7.094 7.094 7.770 -0.676 19954 11648 1 18 . 1 1 40 40 ILE N N 40 121.885 121.885 122.550 -0.665 19954 11649 1 18 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.919 -0.493 19954 11650 1 18 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.550 1.043 19954 11651 1 18 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.255 -1.082 19954 11652 1 18 . 1 1 40 40 ILE H H 40 7.630 7.630 8.211 -0.581 19954 11653 1 18 . 1 1 41 41 ASP N N 41 114.814 114.814 118.515 -3.701 19954 11654 1 18 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.600 -0.414 19954 11655 1 18 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.022 -0.006 19954 11656 1 18 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.256 -3.420 19954 11657 1 18 . 1 1 41 41 ASP H H 41 8.433 8.433 8.505 -0.072 19954 11658 1 18 . 1 1 42 42 ILE N N 42 113.793 113.793 112.355 1.438 19954 11659 1 18 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.602 0.110 19954 11660 1 18 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.584 -2.343 19954 11661 1 18 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.529 -3.633 19954 11662 1 18 . 1 1 42 42 ILE H H 42 7.447 7.447 7.232 0.215 19954 11663 1 18 . 1 1 43 43 GLU N N 43 120.845 120.845 123.226 -2.381 19954 11664 1 18 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.144 -0.098 19954 11665 1 18 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.613 -2.845 19954 11666 1 18 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.515 -4.498 19954 11667 1 18 . 1 1 43 43 GLU H H 43 8.195 8.195 7.883 0.312 19954 11668 1 18 . 1 1 44 44 SER N N 44 113.781 113.781 116.130 -2.349 19954 11669 1 18 . 1 1 44 44 SER HA H 44 3.944 3.944 4.225 -0.281 19954 11670 1 18 . 1 1 44 44 SER CA C 44 59.590 59.590 61.954 -2.364 19954 11671 1 18 . 1 1 44 44 SER CB C 44 59.878 59.878 62.697 -2.818 19954 11672 1 18 . 1 1 44 44 SER H H 44 8.728 8.728 8.615 0.113 19954 11673 1 18 . 1 1 45 45 LYS N N 45 121.258 121.258 121.470 -0.212 19954 11674 1 18 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.078 0.001 19954 11675 1 18 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.852 -2.662 19954 11676 1 18 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.365 -0.888 19954 11677 1 18 . 1 1 45 45 LYS H H 45 7.329 7.329 8.259 -0.930 19954 11678 1 18 . 1 1 46 46 ILE N N 46 121.022 121.022 121.801 -0.779 19954 11679 1 18 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.909 -0.546 19954 11680 1 18 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.184 -1.927 19954 11681 1 18 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.758 -0.867 19954 11682 1 18 . 1 1 46 46 ILE H H 46 7.360 7.360 8.217 -0.857 19954 11683 1 18 . 1 1 47 47 ILE N N 47 118.543 118.543 119.424 -0.881 19954 11684 1 18 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.673 0.066 19954 11685 1 18 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.208 -5.551 19954 11686 1 18 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.337 -4.208 19954 11687 1 18 . 1 1 47 47 ILE H H 47 9.378 9.378 8.169 1.209 19954 11688 1 18 . 1 1 48 48 SER N N 48 113.001 113.001 115.176 -2.175 19954 11689 1 18 . 1 1 48 48 SER HA H 48 4.016 4.016 4.242 -0.226 19954 11690 1 18 . 1 1 48 48 SER CA C 48 59.574 59.574 62.010 -2.436 19954 11691 1 18 . 1 1 48 48 SER CB C 48 60.341 60.341 62.856 -2.515 19954 11692 1 18 . 1 1 48 48 SER H H 48 7.382 7.382 8.642 -1.260 19954 11693 1 18 . 1 1 49 49 LEU N N 49 120.059 120.059 123.182 -3.123 19954 11694 1 18 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.187 -0.017 19954 11695 1 18 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.408 -2.742 19954 11696 1 18 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.049 -2.299 19954 11697 1 18 . 1 1 49 49 LEU H H 49 7.477 7.477 8.398 -0.921 19954 11698 1 18 . 1 1 50 50 ILE N N 50 115.429 115.429 117.443 -2.014 19954 11699 1 18 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.469 0.624 19954 11700 1 18 . 1 1 50 50 ILE CA C 50 62.804 62.804 64.998 -2.194 19954 11701 1 18 . 1 1 50 50 ILE H H 50 8.081 8.081 7.774 0.307 19954 11702 1 18 . 1 1 51 51 ILE N N 51 125.106 125.106 122.349 2.757 19954 11703 1 18 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.616 -0.161 19954 11704 1 18 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.137 -1.989 19954 11705 1 18 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.725 -2.006 19954 11706 1 18 . 1 1 51 51 ILE H H 51 8.194 8.194 8.264 -0.070 19954 11707 1 18 . 1 1 52 52 ASP N N 52 119.519 119.519 119.274 0.245 19954 11708 1 18 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.386 -0.142 19954 11709 1 18 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.650 -2.666 19954 11710 1 18 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.870 -3.005 19954 11711 1 18 . 1 1 52 52 ASP H H 52 7.850 7.850 8.285 -0.435 19954 11712 1 18 . 1 1 53 53 TYR N N 53 118.402 118.402 120.351 -1.949 19954 11713 1 18 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.147 -0.255 19954 11714 1 18 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.497 -1.752 19954 11715 1 18 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.439 -2.575 19954 11716 1 18 . 1 1 53 53 TYR H H 53 8.260 8.260 8.713 -0.453 19954 11717 1 18 . 1 1 54 54 SER N N 54 111.626 111.626 116.292 -4.666 19954 11718 1 18 . 1 1 54 54 SER HA H 54 4.058 4.058 4.435 -0.377 19954 11719 1 18 . 1 1 54 54 SER CA C 54 58.733 58.733 61.212 -2.479 19954 11720 1 18 . 1 1 54 54 SER CB C 54 62.430 62.430 63.475 -1.045 19954 11721 1 18 . 1 1 54 54 SER H H 54 7.316 7.316 8.147 -0.831 19954 11722 1 18 . 1 1 55 55 ARG N N 55 114.937 114.937 121.390 -6.453 19954 11723 1 18 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.120 0.052 19954 11724 1 18 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.753 -1.480 19954 11725 1 18 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.139 -0.889 19954 11726 1 18 . 1 1 55 55 ARG H H 55 7.901 7.901 7.685 0.216 19954 11727 1 18 . 1 1 56 56 LEU N N 56 116.307 116.307 119.422 -3.115 19954 11728 1 18 . 1 1 56 56 LEU HA H 56 4.203 4.203 4.042 0.161 19954 11729 1 18 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.130 -4.330 19954 11730 1 18 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.309 -1.441 19954 11731 1 18 . 1 1 56 56 LEU H H 56 7.802 7.802 7.931 -0.129 19954 11732 1 18 . 1 1 57 57 CYS N N 57 119.062 119.062 115.344 3.718 19954 11733 1 18 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.507 -0.267 19954 11734 1 18 . 1 1 57 57 CYS CA C 57 53.750 53.750 55.842 -2.091 19954 11735 1 18 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.706 -4.630 19954 11736 1 18 . 1 1 57 57 CYS H H 57 7.717 7.717 7.485 0.232 19954 11737 1 18 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.379 -0.034 19954 11738 1 18 . 1 1 58 58 PRO CA C 58 60.482 60.482 63.114 -2.632 19954 11739 1 18 . 1 1 58 58 PRO CB C 58 30.160 30.160 31.996 -1.836 19954 11740 1 18 . 1 1 59 59 ASP N N 59 123.671 123.671 118.055 5.616 19954 11741 1 18 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.242 -0.325 19954 11742 1 18 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.051 -2.237 19954 11743 1 18 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.198 -2.274 19954 11744 1 18 . 1 1 59 59 ASP H H 59 8.696 8.696 8.636 0.060 19954 11745 1 18 . 1 1 60 60 SER N N 60 110.600 110.600 117.153 -6.553 19954 11746 1 18 . 1 1 60 60 SER HA H 60 4.103 4.103 4.027 0.076 19954 11747 1 18 . 1 1 60 60 SER CA C 60 57.379 57.379 61.890 -4.511 19954 11748 1 18 . 1 1 60 60 SER CB C 60 61.562 61.562 62.041 -0.479 19954 11749 1 18 . 1 1 60 60 SER H H 60 8.119 8.119 8.597 -0.478 19954 11750 1 18 . 1 1 61 61 HIS N N 61 122.391 122.391 121.827 0.564 19954 11751 1 18 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.233 0.400 19954 11752 1 18 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.131 -3.417 19954 11753 1 18 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.448 0.494 19954 11754 1 18 . 1 1 61 61 HIS H H 61 8.123 8.123 7.972 0.151 19954 11755 1 18 . 1 1 62 62 LYS N N 62 121.665 121.665 120.276 1.389 19954 11756 1 18 . 1 1 62 62 LYS HA H 62 3.695 3.695 4.060 -0.365 19954 11757 1 18 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.642 -3.882 19954 11758 1 18 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.179 -1.883 19954 11759 1 18 . 1 1 62 62 LYS H H 62 7.512 7.512 8.345 -0.833 19954 11760 1 18 . 1 1 63 63 LEU N N 63 117.792 117.792 120.578 -2.786 19954 11761 1 18 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.957 -0.499 19954 11762 1 18 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.898 -1.273 19954 11763 1 18 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.292 -3.243 19954 11764 1 18 . 1 1 63 63 LEU H H 63 8.136 8.136 8.498 -0.362 19954 11765 1 18 . 1 1 64 64 GLY N N 64 105.340 105.340 105.273 0.067 19954 11766 1 18 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.864 -2.317 19954 11767 1 18 . 1 1 64 64 GLY H H 64 8.616 8.616 7.997 0.619 19954 11768 1 18 . 1 1 65 65 SER N N 65 117.745 117.745 118.901 -1.156 19954 11769 1 18 . 1 1 65 65 SER HA H 65 4.265 4.265 4.186 0.079 19954 11770 1 18 . 1 1 65 65 SER CA C 65 58.998 58.998 62.049 -3.051 19954 11771 1 18 . 1 1 65 65 SER CB C 65 67.350 67.350 63.198 4.152 19954 11772 1 18 . 1 1 65 65 SER H H 65 7.894 7.894 8.760 -0.866 19954 11773 1 18 . 1 1 66 66 LEU N N 66 124.161 124.161 123.527 0.634 19954 11774 1 18 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.121 0.180 19954 11775 1 18 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.528 -4.473 19954 11776 1 18 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.501 -3.394 19954 11777 1 18 . 1 1 66 66 LEU H H 66 7.407 7.407 8.459 -1.052 19954 11778 1 18 . 1 1 67 67 TYR N N 67 121.466 121.466 118.038 3.428 19954 11779 1 18 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.291 0.253 19954 11780 1 18 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.717 -7.278 19954 11781 1 18 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.701 -3.520 19954 11782 1 18 . 1 1 67 67 TYR H H 67 8.001 8.001 8.028 -0.027 19954 11783 1 18 . 1 1 68 68 ILE N N 68 121.357 121.357 120.364 0.993 19954 11784 1 18 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.467 -0.232 19954 11785 1 18 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.201 -1.819 19954 11786 1 18 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.816 -1.736 19954 11787 1 18 . 1 1 68 68 ILE H H 68 7.811 7.811 7.932 -0.121 19954 11788 1 18 . 1 1 69 69 ILE N N 69 117.955 117.955 119.586 -1.631 19954 11789 1 18 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.466 -0.117 19954 11790 1 18 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.862 -2.450 19954 11791 1 18 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.538 -1.619 19954 11792 1 18 . 1 1 69 69 ILE H H 69 6.886 6.886 8.579 -1.693 19954 11793 1 18 . 1 1 70 70 ASP N N 70 118.932 118.932 120.121 -1.189 19954 11794 1 18 . 1 1 70 70 ASP HA H 70 4.396 4.396 3.921 0.475 19954 11795 1 18 . 1 1 70 70 ASP CA C 70 56.035 56.035 57.837 -1.802 19954 11796 1 18 . 1 1 70 70 ASP CB C 70 41.589 41.589 40.867 0.722 19954 11797 1 18 . 1 1 70 70 ASP H H 70 9.100 9.100 8.343 0.757 19954 11798 1 18 . 1 1 71 71 SER N N 71 110.354 110.354 115.513 -5.159 19954 11799 1 18 . 1 1 71 71 SER HA H 71 4.104 4.104 4.052 0.052 19954 11800 1 18 . 1 1 71 71 SER CA C 71 58.746 58.746 61.713 -2.967 19954 11801 1 18 . 1 1 71 71 SER CB C 71 61.136 61.136 63.129 -1.993 19954 11802 1 18 . 1 1 71 71 SER H H 71 7.938 7.938 7.631 0.307 19954 11803 1 18 . 1 1 72 72 ILE N N 72 117.565 117.565 121.056 -3.491 19954 11804 1 18 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.445 -0.180 19954 11805 1 18 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.923 -1.274 19954 11806 1 18 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.511 -1.747 19954 11807 1 18 . 1 1 72 72 ILE H H 72 7.912 7.912 7.726 0.186 19954 11808 1 18 . 1 1 73 73 GLY N N 73 107.350 107.350 107.342 0.008 19954 11809 1 18 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.995 -2.248 19954 11810 1 18 . 1 1 73 73 GLY H H 73 8.847 8.847 8.372 0.475 19954 11811 1 18 . 1 1 74 74 ARG N N 74 118.068 118.068 122.661 -4.593 19954 11812 1 18 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.813 0.137 19954 11813 1 18 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.637 -0.465 19954 11814 1 18 . 1 1 74 74 ARG CB C 74 27.672 27.672 29.911 -2.239 19954 11815 1 18 . 1 1 74 74 ARG H H 74 8.705 8.705 7.976 0.729 19954 11816 1 18 . 1 1 75 75 ALA N N 75 123.817 123.817 121.971 1.846 19954 11817 1 18 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.971 0.245 19954 11818 1 18 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.261 -2.399 19954 11819 1 18 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.443 -3.042 19954 11820 1 18 . 1 1 75 75 ALA H H 75 7.673 7.673 7.744 -0.071 19954 11821 1 18 . 1 1 76 76 TYR N N 76 119.918 119.918 119.315 0.603 19954 11822 1 18 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.212 0.325 19954 11823 1 18 . 1 1 76 76 TYR CA C 76 55.093 55.093 59.984 -4.891 19954 11824 1 18 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.395 -3.592 19954 11825 1 18 . 1 1 76 76 TYR H H 76 8.659 8.659 8.636 0.023 19954 11826 1 18 . 1 1 77 77 LEU N N 77 123.387 123.387 120.250 3.137 19954 11827 1 18 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.807 0.007 19954 11828 1 18 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.254 -3.079 19954 11829 1 18 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.495 -1.621 19954 11830 1 18 . 1 1 77 77 LEU H H 77 8.756 8.756 8.556 0.200 19954 11831 1 18 . 1 1 78 78 ASP N N 78 120.181 120.181 118.330 1.851 19954 11832 1 18 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.235 0.060 19954 11833 1 18 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.638 -2.835 19954 11834 1 18 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.545 -2.722 19954 11835 1 18 . 1 1 78 78 ASP H H 78 7.891 7.891 8.013 -0.122 19954 11836 1 18 . 1 1 79 79 GLU N N 79 120.503 120.503 119.525 0.978 19954 11837 1 18 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.975 0.043 19954 11838 1 18 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.072 -2.598 19954 11839 1 18 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.149 -1.945 19954 11840 1 18 . 1 1 79 79 GLU H H 79 7.502 7.502 8.503 -1.001 19954 11841 1 18 . 1 1 80 80 THR N N 80 111.013 111.013 115.356 -4.343 19954 11842 1 18 . 1 1 80 80 THR HA H 80 4.151 4.151 3.928 0.223 19954 11843 1 18 . 1 1 80 80 THR CA C 80 61.984 61.984 65.862 -3.878 19954 11844 1 18 . 1 1 80 80 THR CB C 80 67.420 67.420 68.691 -1.271 19954 11845 1 18 . 1 1 80 80 THR H H 80 7.883 7.883 8.058 -0.175 19954 11846 1 18 . 1 1 81 81 ARG N N 81 120.172 120.172 121.055 -0.883 19954 11847 1 18 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.058 0.021 19954 11848 1 18 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.873 -3.736 19954 11849 1 18 . 1 1 81 81 ARG H H 81 7.471 7.471 8.474 -1.003 19954 11850 1 18 . 1 1 82 82 SER N N 82 113.571 113.571 113.083 0.488 19954 11851 1 18 . 1 1 82 82 SER HA H 82 4.329 4.329 4.289 0.040 19954 11852 1 18 . 1 1 82 82 SER CA C 82 56.193 56.193 60.793 -4.600 19954 11853 1 18 . 1 1 82 82 SER CB C 82 72.312 72.312 63.401 8.911 19954 11854 1 18 . 1 1 82 82 SER H H 82 7.744 7.744 8.048 -0.304 19954 11855 1 18 . 1 1 83 83 ASN N N 83 119.990 119.990 117.171 2.819 19954 11856 1 18 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.981 -0.239 19954 11857 1 18 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.442 -3.279 19954 11858 1 18 . 1 1 83 83 ASN H H 83 7.792 7.792 7.845 -0.053 19954 11859 1 18 . 1 1 84 84 SER N N 84 116.799 116.799 114.199 2.600 19954 11860 1 18 . 1 1 84 84 SER HA H 84 4.291 4.291 4.496 -0.205 19954 11861 1 18 . 1 1 84 84 SER CA C 84 56.325 56.325 58.028 -1.703 19954 11862 1 18 . 1 1 84 84 SER H H 84 8.352 8.352 8.188 0.164 19954 11863 1 18 . 1 1 85 85 ASN N N 85 120.087 120.087 123.010 -2.923 19954 11864 1 18 . 1 1 85 85 ASN HA H 85 4.667 4.667 5.113 -0.446 19954 11865 1 18 . 1 1 85 85 ASN CA C 85 50.808 50.808 53.021 -2.213 19954 11866 1 18 . 1 1 85 85 ASN H H 85 8.362 8.362 8.445 -0.083 19954 11867 1 18 . 1 1 86 86 SER N N 86 116.068 116.068 112.660 3.408 19954 11868 1 18 . 1 1 86 86 SER HA H 86 4.362 4.362 4.651 -0.289 19954 11869 1 18 . 1 1 86 86 SER CA C 86 55.853 55.853 57.382 -1.529 19954 11870 1 18 . 1 1 86 86 SER H H 86 8.102 8.102 8.258 -0.156 19954 11871 1 18 . 1 1 87 87 SER N N 87 117.615 117.615 121.422 -3.807 19954 11872 1 18 . 1 1 87 87 SER HA H 87 4.302 4.302 4.784 -0.482 19954 11873 1 18 . 1 1 87 87 SER CA C 87 55.608 55.608 57.283 -1.675 19954 11874 1 18 . 1 1 87 87 SER H H 87 8.269 8.269 8.514 -0.245 19954 11875 1 18 . 1 1 88 88 SER N N 88 122.455 122.455 117.697 4.758 19954 11876 1 18 . 1 1 88 88 SER CA C 88 53.710 53.710 57.500 -3.790 19954 11877 1 18 . 1 1 88 88 SER H H 88 8.377 8.377 7.691 0.686 19954 11878 1 18 . 1 1 89 89 ASN N N 89 115.430 115.430 118.408 -2.978 19954 11879 1 18 . 1 1 89 89 ASN CA C 89 58.900 58.900 52.552 6.348 19954 11880 1 18 . 1 1 89 89 ASN H H 89 8.141 8.141 8.636 -0.495 19954 11881 1 18 . 1 1 90 90 LYS N N 90 128.071 128.071 119.139 8.932 19954 11882 1 18 . 1 1 90 90 LYS CA C 90 55.381 55.381 53.280 2.101 19954 11883 1 18 . 1 1 90 90 LYS H H 90 7.961 7.961 7.621 0.340 19954 11884 1 18 . 1 1 91 91 PRO HA H 91 3.405 3.405 3.557 -0.152 19954 11885 1 18 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.417 -1.796 19954 11886 1 18 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.085 -3.392 19954 11887 1 18 . 1 1 92 92 GLY N N 92 112.403 112.403 109.000 3.403 19954 11888 1 18 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.449 -3.144 19954 11889 1 18 . 1 1 92 92 GLY H H 92 10.139 10.139 8.903 1.236 19954 11890 1 18 . 1 1 93 93 THR N N 93 106.254 106.254 109.960 -3.706 19954 11891 1 18 . 1 1 93 93 THR HA H 93 4.527 4.527 5.089 -0.562 19954 11892 1 18 . 1 1 93 93 THR CA C 93 56.663 56.663 59.849 -3.186 19954 11893 1 18 . 1 1 93 93 THR CB C 93 70.927 70.927 71.190 -0.263 19954 11894 1 18 . 1 1 93 93 THR H H 93 7.180 7.180 7.465 -0.285 19954 11895 1 18 . 1 1 94 94 CYS N N 94 121.465 121.465 121.669 -0.204 19954 11896 1 18 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.780 -0.330 19954 11897 1 18 . 1 1 94 94 CYS CA C 94 60.867 60.867 63.196 -2.329 19954 11898 1 18 . 1 1 94 94 CYS CB C 94 25.246 25.246 27.043 -1.797 19954 11899 1 18 . 1 1 94 94 CYS H H 94 8.777 8.777 8.692 0.085 19954 11900 1 18 . 1 1 95 95 ALA N N 95 119.619 119.619 122.322 -2.703 19954 11901 1 18 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.811 0.031 19954 11902 1 18 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.498 -2.753 19954 11903 1 18 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.756 -2.052 19954 11904 1 18 . 1 1 95 95 ALA H H 95 8.392 8.392 8.248 0.144 19954 11905 1 18 . 1 1 96 96 HIS N N 96 118.081 118.081 120.234 -2.153 19954 11906 1 18 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.230 -0.024 19954 11907 1 18 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.334 -1.643 19954 11908 1 18 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.682 -2.598 19954 11909 1 18 . 1 1 96 96 HIS H H 96 7.631 7.631 7.977 -0.346 19954 11910 1 18 . 1 1 97 97 ALA N N 97 123.652 123.652 122.736 0.916 19954 11911 1 18 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.019 -0.078 19954 11912 1 18 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.445 -2.287 19954 11913 1 18 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.745 -1.081 19954 11914 1 18 . 1 1 97 97 ALA H H 97 7.347 7.347 7.715 -0.368 19954 11915 1 18 . 1 1 98 98 ILE N N 98 115.278 115.278 119.602 -4.324 19954 11916 1 18 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.656 -0.132 19954 11917 1 18 . 1 1 98 98 ILE CA C 98 62.983 62.983 66.190 -3.207 19954 11918 1 18 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.752 -2.085 19954 11919 1 18 . 1 1 98 98 ILE H H 98 7.916 7.916 8.596 -0.680 19954 11920 1 18 . 1 1 99 99 ASN N N 99 120.684 120.684 117.443 3.241 19954 11921 1 18 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.367 0.037 19954 11922 1 18 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.361 -2.222 19954 11923 1 18 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.062 -1.817 19954 11924 1 18 . 1 1 99 99 ASN H H 99 7.978 7.978 8.110 -0.132 19954 11925 1 18 . 1 1 100 100 THR N N 100 117.791 117.791 117.200 0.591 19954 11926 1 18 . 1 1 100 100 THR HA H 100 3.630 3.630 3.790 -0.160 19954 11927 1 18 . 1 1 100 100 THR CA C 100 63.899 63.899 66.710 -2.811 19954 11928 1 18 . 1 1 100 100 THR CB C 100 66.038 66.038 68.641 -2.603 19954 11929 1 18 . 1 1 100 100 THR H H 100 8.295 8.295 7.987 0.308 19954 11930 1 18 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.844 -0.126 19954 11931 1 18 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.382 -3.957 19954 11932 1 18 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.841 -0.653 19954 11933 1 18 . 1 1 101 101 LEU H H 101 7.825 7.825 8.436 -0.611 19954 11934 1 18 . 1 1 102 102 GLY N N 102 105.767 105.767 103.473 2.294 19954 11935 1 18 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.455 -1.114 19954 11936 1 18 . 1 1 102 102 GLY H H 102 8.591 8.591 8.121 0.470 19954 11937 1 18 . 1 1 103 103 GLU N N 103 116.366 116.366 119.484 -3.118 19954 11938 1 18 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.297 -0.230 19954 11939 1 18 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.583 -2.137 19954 11940 1 18 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.132 -2.755 19954 11941 1 18 . 1 1 103 103 GLU H H 103 7.471 7.471 7.822 -0.351 19954 11942 1 18 . 1 1 104 104 VAL N N 104 108.377 108.377 112.954 -4.577 19954 11943 1 18 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.419 0.337 19954 11944 1 18 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.319 -4.464 19954 11945 1 18 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.670 -2.792 19954 11946 1 18 . 1 1 104 104 VAL H H 104 7.016 7.016 7.817 -0.801 19954 11947 1 18 . 1 1 105 105 ILE N N 105 123.784 123.784 122.993 0.791 19954 11948 1 18 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.583 0.171 19954 11949 1 18 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.516 -6.116 19954 11950 1 18 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.674 -2.263 19954 11951 1 18 . 1 1 105 105 ILE H H 105 7.197 7.197 8.670 -1.473 19954 11952 1 18 . 1 1 106 106 GLN N N 106 121.117 121.117 118.636 2.481 19954 11953 1 18 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.908 -0.253 19954 11954 1 18 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.253 -0.919 19954 11955 1 18 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.330 -0.438 19954 11956 1 18 . 1 1 106 106 GLN H H 106 8.549 8.549 8.594 -0.045 19954 11957 1 18 . 1 1 107 107 GLU N N 107 122.716 122.716 121.577 1.139 19954 11958 1 18 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.116 -0.279 19954 11959 1 18 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.671 -2.083 19954 11960 1 18 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.951 -2.417 19954 11961 1 18 . 1 1 107 107 GLU H H 107 7.762 7.762 8.042 -0.280 19954 11962 1 18 . 1 1 108 108 LEU N N 108 116.615 116.615 121.372 -4.757 19954 11963 1 18 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.012 -0.033 19954 11964 1 18 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.917 -3.123 19954 11965 1 18 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.632 -3.135 19954 11966 1 18 . 1 1 108 108 LEU H H 108 8.016 8.016 7.751 0.265 19954 11967 1 18 . 1 1 109 109 LEU N N 109 118.708 118.708 119.276 -0.568 19954 11968 1 18 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.843 -0.003 19954 11969 1 18 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.976 -3.250 19954 11970 1 18 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.753 -0.431 19954 11971 1 18 . 1 1 109 109 LEU H H 109 8.801 8.801 8.556 0.245 19954 11972 1 18 . 1 1 110 110 SER N N 110 114.083 114.083 114.242 -0.159 19954 11973 1 18 . 1 1 110 110 SER HA H 110 3.848 3.848 3.980 -0.132 19954 11974 1 18 . 1 1 110 110 SER CA C 110 60.127 60.127 61.635 -1.508 19954 11975 1 18 . 1 1 110 110 SER CB C 110 60.300 60.300 62.525 -2.224 19954 11976 1 18 . 1 1 110 110 SER H H 110 8.161 8.161 8.220 -0.059 19954 11977 1 18 . 1 1 111 111 ASP N N 111 120.151 120.151 123.257 -3.106 19954 11978 1 18 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.286 0.056 19954 11979 1 18 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.178 -2.411 19954 11980 1 18 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.320 -0.576 19954 11981 1 18 . 1 1 111 111 ASP H H 111 7.614 7.614 8.066 -0.452 19954 11982 1 18 . 1 1 112 112 ALA N N 112 116.927 116.927 122.778 -5.851 19954 11983 1 18 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.985 -0.396 19954 11984 1 18 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.361 -2.638 19954 11985 1 18 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.593 -0.946 19954 11986 1 18 . 1 1 112 112 ALA H H 112 7.662 7.662 8.214 -0.552 19954 11987 1 18 . 1 1 113 113 ILE N N 113 119.039 119.039 118.040 0.999 19954 11988 1 18 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.595 -0.368 19954 11989 1 18 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.750 -1.070 19954 11990 1 18 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.766 -1.607 19954 11991 1 18 . 1 1 113 113 ILE H H 113 8.681 8.681 8.211 0.470 19954 11992 1 18 . 1 1 114 114 ALA N N 114 120.055 120.055 120.569 -0.514 19954 11993 1 18 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.978 -0.071 19954 11994 1 18 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.389 -1.801 19954 11995 1 18 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.883 -2.752 19954 11996 1 18 . 1 1 114 114 ALA H H 114 7.716 7.716 7.989 -0.273 19954 11997 1 18 . 1 1 115 115 LYS N N 115 113.845 113.845 119.764 -5.919 19954 11998 1 18 . 1 1 115 115 LYS HA H 115 4.083 4.083 3.959 0.124 19954 11999 1 18 . 1 1 115 115 LYS CA C 115 53.955 53.955 58.014 -4.059 19954 12000 1 18 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.311 -0.678 19954 12001 1 18 . 1 1 115 115 LYS H H 115 7.248 7.248 8.240 -0.992 19954 12002 1 18 . 1 1 116 116 SER N N 116 115.794 115.794 114.818 0.976 19954 12003 1 18 . 1 1 116 116 SER HA H 116 4.503 4.503 4.232 0.271 19954 12004 1 18 . 1 1 116 116 SER CA C 116 57.848 57.848 59.771 -1.923 19954 12005 1 18 . 1 1 116 116 SER CB C 116 63.380 63.380 63.992 -0.612 19954 12006 1 18 . 1 1 116 116 SER H H 116 7.124 7.124 8.177 -1.053 19954 12007 1 18 . 1 1 117 117 ASN N N 117 119.747 119.747 119.913 -0.166 19954 12008 1 18 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.767 -0.245 19954 12009 1 18 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.777 -2.435 19954 12010 1 18 . 1 1 117 117 ASN CB C 117 35.282 35.282 40.274 -4.992 19954 12011 1 18 . 1 1 117 117 ASN H H 117 8.457 8.457 8.353 0.104 19954 12012 1 18 . 1 1 118 118 GLN N N 118 117.591 117.591 120.378 -2.787 19954 12013 1 18 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.853 -0.076 19954 12014 1 18 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.559 -3.374 19954 12015 1 18 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.401 3.140 19954 12016 1 18 . 1 1 118 118 GLN H H 118 8.418 8.418 8.724 -0.306 19954 12017 1 18 . 1 1 119 119 ASP N N 119 119.281 119.281 117.767 1.514 19954 12018 1 18 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.595 -0.305 19954 12019 1 18 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.310 -2.717 19954 12020 1 18 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.263 -1.360 19954 12021 1 18 . 1 1 119 119 ASP H H 119 7.973 7.973 8.621 -0.648 19954 12022 1 18 . 1 1 120 120 HIS N N 120 118.871 118.871 117.649 1.222 19954 12023 1 18 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.116 0.224 19954 12024 1 18 . 1 1 120 120 HIS CA C 120 55.758 55.758 59.354 -3.596 19954 12025 1 18 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.566 -1.837 19954 12026 1 18 . 1 1 120 120 HIS H H 120 8.702 8.702 8.419 0.283 19954 12027 1 18 . 1 1 121 121 LYS N N 121 120.739 120.739 118.517 2.222 19954 12028 1 18 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.912 -0.144 19954 12029 1 18 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.766 -0.081 19954 12030 1 18 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.376 -0.452 19954 12031 1 18 . 1 1 121 121 LYS H H 121 8.990 8.990 8.818 0.172 19954 12032 1 18 . 1 1 122 122 GLU N N 122 117.889 117.889 119.592 -1.703 19954 12033 1 18 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.024 0.038 19954 12034 1 18 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.440 -3.335 19954 12035 1 18 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.128 -2.437 19954 12036 1 18 . 1 1 122 122 GLU H H 122 7.615 7.615 8.058 -0.443 19954 12037 1 18 . 1 1 123 123 LYS N N 123 119.139 119.139 118.995 0.144 19954 12038 1 18 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.099 -0.140 19954 12039 1 18 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.718 -2.116 19954 12040 1 18 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.968 -1.745 19954 12041 1 18 . 1 1 123 123 LYS H H 123 7.550 7.550 7.663 -0.113 19954 12042 1 18 . 1 1 124 124 ILE N N 124 123.103 123.103 120.065 3.038 19954 12043 1 18 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.555 -0.329 19954 12044 1 18 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.987 -2.303 19954 12045 1 18 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.637 -2.894 19954 12046 1 18 . 1 1 124 124 ILE H H 124 8.356 8.356 7.811 0.545 19954 12047 1 18 . 1 1 125 125 ARG N N 125 122.162 122.162 119.858 2.304 19954 12048 1 18 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.861 -0.755 19954 12049 1 18 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.503 -1.479 19954 12050 1 18 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.033 1.938 19954 12051 1 18 . 1 1 125 125 ARG H H 125 7.988 7.988 7.861 0.127 19954 12052 1 18 . 1 1 126 126 MET N N 126 115.215 115.215 118.909 -3.694 19954 12053 1 18 . 1 1 126 126 MET HA H 126 3.973 3.973 4.101 -0.128 19954 12054 1 18 . 1 1 126 126 MET CA C 126 55.896 55.896 58.887 -2.991 19954 12055 1 18 . 1 1 126 126 MET CB C 126 29.856 29.856 32.436 -2.580 19954 12056 1 18 . 1 1 126 126 MET H H 126 7.455 7.455 7.720 -0.265 19954 12057 1 18 . 1 1 127 127 LEU N N 127 122.351 122.351 120.645 1.706 19954 12058 1 18 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.779 -0.227 19954 12059 1 18 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.753 -2.965 19954 12060 1 18 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.231 -1.953 19954 12061 1 18 . 1 1 127 127 LEU H H 127 7.479 7.479 7.891 -0.412 19954 12062 1 18 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.346 0.537 19954 12063 1 18 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.056 -2.709 19954 12064 1 18 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.404 -2.595 19954 12065 1 18 . 1 1 128 128 LEU H H 128 7.841 7.841 8.096 -0.255 19954 12066 1 18 . 1 1 129 129 ASP N N 129 116.915 116.915 118.993 -2.078 19954 12067 1 18 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.323 0.064 19954 12068 1 18 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.662 -5.063 19954 12069 1 18 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.734 -2.868 19954 12070 1 18 . 1 1 129 129 ASP H H 129 7.034 7.034 7.741 -0.707 19954 12071 1 18 . 1 1 130 130 ILE N N 130 124.155 124.155 119.915 4.240 19954 12072 1 18 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.682 -0.039 19954 12073 1 18 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.457 -2.081 19954 12074 1 18 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.890 -3.106 19954 12075 1 18 . 1 1 130 130 ILE H H 130 7.671 7.671 7.678 -0.007 19954 12076 1 18 . 1 1 131 131 TRP N N 131 125.421 125.421 119.964 5.457 19954 12077 1 18 . 1 1 131 131 TRP H H 131 8.831 8.831 7.812 1.019 19954 12078 1 18 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.749 2.690 19954 12079 1 18 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.115 0.368 19954 12080 1 18 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.911 -4.174 19954 12081 1 18 . 1 1 144 144 ALA N N 144 121.013 121.013 124.047 -3.034 19954 12082 1 18 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.922 0.182 19954 12083 1 18 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.742 -2.064 19954 12084 1 18 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.834 -3.458 19954 12085 1 18 . 1 1 144 144 ALA H H 144 8.212 8.212 8.001 0.211 19954 12086 1 18 . 1 1 145 145 ILE N N 145 117.646 117.646 115.642 2.004 19954 12087 1 18 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.710 0.118 19954 12088 1 18 . 1 1 145 145 ILE CA C 145 58.344 58.344 63.000 -4.656 19954 12089 1 18 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.616 0.526 19954 12090 1 18 . 1 1 145 145 ILE H H 145 7.183 7.183 7.832 -0.649 19954 12091 1 18 . 1 1 146 146 ARG N N 146 121.150 121.150 121.026 0.124 19954 12092 1 18 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.890 0.012 19954 12093 1 18 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.744 -0.279 19954 12094 1 18 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.068 -2.285 19954 12095 1 18 . 1 1 146 146 ARG H H 146 8.477 8.477 7.541 0.936 19954 12096 1 18 . 1 1 147 147 SER N N 147 111.836 111.836 115.795 -3.959 19954 12097 1 18 . 1 1 147 147 SER HA H 147 4.162 4.162 4.309 -0.147 19954 12098 1 18 . 1 1 147 147 SER CA C 147 58.642 58.642 58.408 0.234 19954 12099 1 18 . 1 1 147 147 SER CB C 147 60.972 60.972 62.583 -1.611 19954 12100 1 18 . 1 1 147 147 SER H H 147 8.187 8.187 7.533 0.654 19954 12101 1 18 . 1 1 148 148 LYS N N 148 118.675 118.675 126.226 -7.551 19954 12102 1 18 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.959 0.179 19954 12103 1 18 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.384 -3.367 19954 12104 1 18 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.611 0.169 19954 12105 1 18 . 1 1 148 148 LYS H H 148 7.837 7.837 8.452 -0.615 19954 12106 1 18 . 1 1 149 149 CYS N N 149 113.256 113.256 117.092 -3.836 19954 12107 1 18 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.219 0.373 19954 12108 1 18 . 1 1 149 149 CYS CA C 149 52.012 52.012 63.187 -11.175 19954 12109 1 18 . 1 1 149 149 CYS H H 149 8.267 8.267 8.325 -0.058 19954 12110 1 18 . 1 1 150 150 PHE N N 150 116.623 116.623 120.980 -4.357 19954 12111 1 18 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.061 0.883 19954 12112 1 18 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.165 -6.756 19954 12113 1 18 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.524 -0.471 19954 12114 1 18 . 1 1 150 150 PHE H H 150 7.373 7.373 8.788 -1.415 19954 12115 1 18 . 1 1 151 151 ALA N N 151 122.583 122.583 120.882 1.701 19954 12116 1 18 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.886 0.293 19954 12117 1 18 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.098 -4.457 19954 12118 1 18 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.443 -2.504 19954 12119 1 18 . 1 1 151 151 ALA H H 151 7.710 7.710 8.684 -0.974 19954 12120 1 18 . 1 1 152 152 MET N N 152 118.250 118.250 117.182 1.068 19954 12121 1 18 . 1 1 152 152 MET HA H 152 4.262 4.262 4.115 0.147 19954 12122 1 18 . 1 1 152 152 MET CA C 152 53.482 53.482 59.176 -5.694 19954 12123 1 18 . 1 1 152 152 MET CB C 152 30.488 30.488 32.372 -1.884 19954 12124 1 18 . 1 1 152 152 MET H H 152 8.086 8.086 8.017 0.069 19954 12125 1 18 . 1 1 153 153 ASP N N 153 121.780 121.780 119.513 2.267 19954 12126 1 18 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.569 -0.091 19954 12127 1 18 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.544 -4.918 19954 12128 1 18 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.283 -2.823 19954 12129 1 18 . 1 1 153 153 ASP H H 153 8.299 8.299 8.108 0.191 19954 12130 1 18 . 1 1 154 154 LEU N N 154 122.337 122.337 118.906 3.431 19954 12131 1 18 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.172 -0.064 19954 12132 1 18 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.767 -4.914 19954 12133 1 18 . 1 1 154 154 LEU CB C 154 39.716 39.716 42.155 -2.439 19954 12134 1 18 . 1 1 154 154 LEU H H 154 8.072 8.072 8.230 -0.158 19954 12135 1 18 . 1 1 155 155 GLU N N 155 119.995 119.995 116.852 3.143 19954 12136 1 18 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.267 -0.272 19954 12137 1 18 . 1 1 155 155 GLU CA C 155 54.299 54.299 54.947 -0.648 19954 12138 1 18 . 1 1 155 155 GLU CB C 155 27.634 27.634 28.725 -1.091 19954 12139 1 18 . 1 1 155 155 GLU H H 155 8.151 8.151 7.652 0.499 19954 12140 1 18 . 1 1 156 156 HIS N N 156 118.980 118.980 119.553 -0.573 19954 12141 1 18 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.292 -0.072 19954 12142 1 18 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.961 -3.518 19954 12143 1 18 . 1 1 156 156 HIS H H 156 8.007 8.007 7.745 0.262 19954 12144 1 18 . 1 1 157 157 HIS N N 157 121.956 121.956 122.820 -0.864 19954 12145 1 18 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.546 -0.135 19954 12146 1 18 . 1 1 157 157 HIS CA C 157 53.252 53.252 55.754 -2.502 19954 12147 1 18 . 1 1 157 157 HIS H H 157 8.580 8.580 8.416 0.164 19954 12148 1 18 . 1 1 158 158 HIS N N 158 125.474 125.474 120.110 5.364 19954 12149 1 18 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.682 -1.054 19954 12150 1 18 . 1 1 158 158 HIS H H 158 7.906 7.906 8.819 -0.913 19954 12151 1 19 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.501 -0.186 19954 12152 1 19 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.524 -3.810 19954 12153 1 19 . 1 1 5 5 ASP N N 5 120.880 120.880 121.908 -1.028 19954 12154 1 19 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.418 0.036 19954 12155 1 19 . 1 1 5 5 ASP CA C 5 52.575 52.575 55.298 -2.723 19954 12156 1 19 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.339 -2.615 19954 12157 1 19 . 1 1 5 5 ASP H H 5 8.277 8.277 8.770 -0.493 19954 12158 1 19 . 1 1 6 6 ASP N N 6 120.876 120.876 117.823 3.053 19954 12159 1 19 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.889 -0.407 19954 12160 1 19 . 1 1 6 6 ASP CA C 6 52.962 52.962 52.947 0.015 19954 12161 1 19 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.470 -3.912 19954 12162 1 19 . 1 1 6 6 ASP H H 6 8.497 8.497 7.862 0.635 19954 12163 1 19 . 1 1 7 7 PHE N N 7 122.789 122.789 119.632 3.157 19954 12164 1 19 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.347 -0.238 19954 12165 1 19 . 1 1 7 7 PHE CA C 7 58.870 58.870 61.023 -2.153 19954 12166 1 19 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.526 -2.858 19954 12167 1 19 . 1 1 7 7 PHE H H 7 8.337 8.337 9.021 -0.684 19954 12168 1 19 . 1 1 8 8 GLN N N 8 116.255 116.255 120.034 -3.779 19954 12169 1 19 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.837 -0.088 19954 12170 1 19 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.828 -4.101 19954 12171 1 19 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.254 -3.466 19954 12172 1 19 . 1 1 8 8 GLN H H 8 8.488 8.488 8.505 -0.017 19954 12173 1 19 . 1 1 9 9 ASN N N 9 118.242 118.242 118.491 -0.249 19954 12174 1 19 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.291 0.023 19954 12175 1 19 . 1 1 9 9 ASN CA C 9 53.575 53.575 55.764 -2.189 19954 12176 1 19 . 1 1 9 9 ASN CB C 9 36.253 36.253 37.620 -1.367 19954 12177 1 19 . 1 1 9 9 ASN H H 9 7.801 7.801 7.881 -0.080 19954 12178 1 19 . 1 1 10 10 PHE N N 10 124.982 124.982 121.022 3.960 19954 12179 1 19 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.577 -0.123 19954 12180 1 19 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.020 -2.026 19954 12181 1 19 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.015 -2.980 19954 12182 1 19 . 1 1 10 10 PHE H H 10 6.924 6.924 6.935 -0.011 19954 12183 1 19 . 1 1 11 11 VAL N N 11 118.513 118.513 118.399 0.114 19954 12184 1 19 . 1 1 11 11 VAL HA H 11 2.834 2.834 2.950 -0.116 19954 12185 1 19 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.362 -2.131 19954 12186 1 19 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.428 -1.350 19954 12187 1 19 . 1 1 11 11 VAL H H 11 7.448 7.448 7.900 -0.452 19954 12188 1 19 . 1 1 12 12 ALA N N 12 119.214 119.214 121.435 -2.221 19954 12189 1 19 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.835 0.049 19954 12190 1 19 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.717 -3.291 19954 12191 1 19 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.936 -2.287 19954 12192 1 19 . 1 1 12 12 ALA H H 12 8.028 8.028 8.533 -0.505 19954 12193 1 19 . 1 1 13 13 THR N N 13 116.435 116.435 115.911 0.524 19954 12194 1 19 . 1 1 13 13 THR HA H 13 3.624 3.624 3.888 -0.264 19954 12195 1 19 . 1 1 13 13 THR CA C 13 64.041 64.041 66.094 -2.053 19954 12196 1 19 . 1 1 13 13 THR CB C 13 65.118 65.118 68.283 -3.165 19954 12197 1 19 . 1 1 13 13 THR H H 13 7.638 7.638 8.000 -0.362 19954 12198 1 19 . 1 1 14 14 LEU N N 14 126.284 126.284 121.900 4.384 19954 12199 1 19 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.569 0.061 19954 12200 1 19 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.883 -2.396 19954 12201 1 19 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.226 -2.374 19954 12202 1 19 . 1 1 14 14 LEU H H 14 7.975 7.975 7.484 0.491 19954 12203 1 19 . 1 1 15 15 GLU N N 15 116.145 116.145 118.234 -2.089 19954 12204 1 19 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.862 -0.045 19954 12205 1 19 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.759 -3.365 19954 12206 1 19 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.013 -2.105 19954 12207 1 19 . 1 1 15 15 GLU H H 15 8.503 8.503 8.458 0.045 19954 12208 1 19 . 1 1 16 16 SER N N 16 114.452 114.452 114.511 -0.059 19954 12209 1 19 . 1 1 16 16 SER HA H 16 4.196 4.196 4.197 -0.001 19954 12210 1 19 . 1 1 16 16 SER CA C 16 58.515 58.515 61.404 -2.889 19954 12211 1 19 . 1 1 16 16 SER CB C 16 60.155 60.155 63.033 -2.878 19954 12212 1 19 . 1 1 16 16 SER H H 16 7.643 7.643 7.990 -0.347 19954 12213 1 19 . 1 1 17 17 PHE N N 17 124.020 124.020 121.983 2.037 19954 12214 1 19 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.161 -0.337 19954 12215 1 19 . 1 1 17 17 PHE CA C 17 59.335 59.335 61.187 -1.852 19954 12216 1 19 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.986 -2.132 19954 12217 1 19 . 1 1 17 17 PHE H H 17 8.082 8.082 8.081 0.001 19954 12218 1 19 . 1 1 18 18 LYS N N 18 116.570 116.570 118.035 -1.465 19954 12219 1 19 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.029 -0.082 19954 12220 1 19 . 1 1 18 18 LYS CA C 18 56.855 56.855 59.121 -2.266 19954 12221 1 19 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.802 -2.350 19954 12222 1 19 . 1 1 18 18 LYS H H 18 7.849 7.849 8.071 -0.222 19954 12223 1 19 . 1 1 19 19 ASP N N 19 116.332 116.332 119.588 -3.256 19954 12224 1 19 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.513 0.026 19954 12225 1 19 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.907 -3.750 19954 12226 1 19 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.050 -2.347 19954 12227 1 19 . 1 1 19 19 ASP H H 19 7.276 7.276 7.714 -0.438 19954 12228 1 19 . 1 1 20 20 LEU N N 20 119.769 119.769 118.785 0.984 19954 12229 1 19 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.239 0.160 19954 12230 1 19 . 1 1 20 20 LEU CA C 20 50.999 50.999 54.877 -3.878 19954 12231 1 19 . 1 1 20 20 LEU H H 20 7.226 7.226 7.465 -0.239 19954 12232 1 19 . 1 1 21 21 LYS N N 21 126.041 126.041 119.917 6.124 19954 12233 1 19 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.472 -0.409 19954 12234 1 19 . 1 1 21 21 LYS CA C 21 56.849 56.849 55.388 1.461 19954 12235 1 19 . 1 1 21 21 LYS CB C 21 31.634 31.634 30.351 1.283 19954 12236 1 19 . 1 1 21 21 LYS H H 21 9.203 9.203 8.418 0.785 19954 12237 1 19 . 1 1 22 22 SER N N 22 109.885 109.885 113.676 -3.791 19954 12238 1 19 . 1 1 22 22 SER HA H 22 4.322 4.322 4.000 0.322 19954 12239 1 19 . 1 1 22 22 SER CA C 22 55.254 55.254 58.900 -3.646 19954 12240 1 19 . 1 1 22 22 SER CB C 22 62.254 62.254 61.913 0.342 19954 12241 1 19 . 1 1 22 22 SER H H 22 8.607 8.607 8.287 0.320 19954 12242 1 19 . 1 1 23 23 GLY N N 23 106.286 106.286 108.810 -2.524 19954 12243 1 19 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.825 -0.845 19954 12244 1 19 . 1 1 23 23 GLY H H 23 6.619 6.619 8.347 -1.728 19954 12245 1 19 . 1 1 24 24 ILE N N 24 118.883 118.883 118.756 0.127 19954 12246 1 19 . 1 1 24 24 ILE HA H 24 3.984 3.984 3.118 0.866 19954 12247 1 19 . 1 1 24 24 ILE CA C 24 59.167 59.167 61.034 -1.867 19954 12248 1 19 . 1 1 24 24 ILE CB C 24 39.646 39.646 37.395 2.251 19954 12249 1 19 . 1 1 24 24 ILE H H 24 7.929 7.929 7.845 0.084 19954 12250 1 19 . 1 1 25 25 SER N N 25 117.952 117.952 118.920 -0.968 19954 12251 1 19 . 1 1 25 25 SER HA H 25 5.093 5.093 4.658 0.435 19954 12252 1 19 . 1 1 25 25 SER CA C 25 52.534 52.534 57.608 -5.074 19954 12253 1 19 . 1 1 25 25 SER CB C 25 61.938 61.938 64.277 -2.339 19954 12254 1 19 . 1 1 25 25 SER H H 25 5.660 5.660 8.270 -2.610 19954 12255 1 19 . 1 1 26 26 GLY N N 26 120.266 120.266 114.457 5.809 19954 12256 1 19 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.338 -1.851 19954 12257 1 19 . 1 1 26 26 GLY H H 26 8.596 8.596 9.190 -0.594 19954 12258 1 19 . 1 1 27 27 SER N N 27 120.500 120.500 116.822 3.678 19954 12259 1 19 . 1 1 27 27 SER HA H 27 4.410 4.410 4.163 0.247 19954 12260 1 19 . 1 1 27 27 SER CA C 27 58.793 58.793 61.528 -2.735 19954 12261 1 19 . 1 1 27 27 SER CB C 27 62.224 62.224 63.004 -0.780 19954 12262 1 19 . 1 1 27 27 SER H H 27 9.846 9.846 8.401 1.445 19954 12263 1 19 . 1 1 28 28 ARG N N 28 123.779 123.779 120.829 2.950 19954 12264 1 19 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.969 -0.084 19954 12265 1 19 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.315 -2.475 19954 12266 1 19 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.735 -1.621 19954 12267 1 19 . 1 1 28 28 ARG H H 28 8.034 8.034 7.569 0.465 19954 12268 1 19 . 1 1 29 29 ILE N N 29 120.700 120.700 119.731 0.969 19954 12269 1 19 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.309 0.163 19954 12270 1 19 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.278 -0.649 19954 12271 1 19 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.411 -1.743 19954 12272 1 19 . 1 1 29 29 ILE H H 29 8.374 8.374 7.369 1.005 19954 12273 1 19 . 1 1 30 30 LYS N N 30 124.209 124.209 120.039 4.170 19954 12274 1 19 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.866 0.162 19954 12275 1 19 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.001 -2.600 19954 12276 1 19 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.156 -2.876 19954 12277 1 19 . 1 1 30 30 LYS H H 30 8.231 8.231 8.033 0.198 19954 12278 1 19 . 1 1 31 31 LYS N N 31 120.422 120.422 119.188 1.234 19954 12279 1 19 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.033 0.005 19954 12280 1 19 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.033 -1.415 19954 12281 1 19 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.045 -1.876 19954 12282 1 19 . 1 1 31 31 LYS H H 31 7.449 7.449 7.800 -0.351 19954 12283 1 19 . 1 1 32 32 LEU N N 32 118.348 118.348 119.337 -0.989 19954 12284 1 19 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.190 -0.129 19954 12285 1 19 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.610 -3.200 19954 12286 1 19 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.467 -1.685 19954 12287 1 19 . 1 1 32 32 LEU H H 32 8.186 8.186 8.093 0.093 19954 12288 1 19 . 1 1 33 33 THR N N 33 116.500 116.500 114.760 1.740 19954 12289 1 19 . 1 1 33 33 THR HA H 33 3.662 3.662 3.960 -0.298 19954 12290 1 19 . 1 1 33 33 THR CA C 33 64.726 64.726 67.130 -2.404 19954 12291 1 19 . 1 1 33 33 THR CB C 33 66.097 66.097 67.988 -1.891 19954 12292 1 19 . 1 1 33 33 THR H H 33 8.066 8.066 8.384 -0.318 19954 12293 1 19 . 1 1 34 34 THR N N 34 119.029 119.029 117.952 1.077 19954 12294 1 19 . 1 1 34 34 THR HA H 34 3.759 3.759 3.909 -0.150 19954 12295 1 19 . 1 1 34 34 THR CA C 34 64.291 64.291 66.100 -1.809 19954 12296 1 19 . 1 1 34 34 THR CB C 34 66.733 66.733 68.788 -2.055 19954 12297 1 19 . 1 1 34 34 THR H H 34 8.685 8.685 7.939 0.746 19954 12298 1 19 . 1 1 35 35 TYR N N 35 120.298 120.298 122.912 -2.614 19954 12299 1 19 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.023 0.179 19954 12300 1 19 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.852 -1.698 19954 12301 1 19 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.066 -2.056 19954 12302 1 19 . 1 1 35 35 TYR H H 35 7.663 7.663 8.223 -0.560 19954 12303 1 19 . 1 1 36 36 ALA N N 36 121.480 121.480 121.946 -0.466 19954 12304 1 19 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.868 0.044 19954 12305 1 19 . 1 1 36 36 ALA CA C 36 53.136 53.136 54.925 -1.790 19954 12306 1 19 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.524 -3.651 19954 12307 1 19 . 1 1 36 36 ALA H H 36 8.543 8.543 8.356 0.187 19954 12308 1 19 . 1 1 37 37 LEU N N 37 120.767 120.767 118.496 2.271 19954 12309 1 19 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.913 0.190 19954 12310 1 19 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.331 -3.491 19954 12311 1 19 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.908 -1.726 19954 12312 1 19 . 1 1 37 37 LEU H H 37 8.351 8.351 8.034 0.317 19954 12313 1 19 . 1 1 38 38 ASP N N 38 119.008 119.008 117.680 1.328 19954 12314 1 19 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.221 0.235 19954 12315 1 19 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.168 -4.028 19954 12316 1 19 . 1 1 38 38 ASP CB C 38 38.899 38.899 40.984 -2.085 19954 12317 1 19 . 1 1 38 38 ASP H H 38 7.557 7.557 8.031 -0.474 19954 12318 1 19 . 1 1 39 39 HIS N N 39 118.142 118.142 117.278 0.864 19954 12319 1 19 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.710 -0.085 19954 12320 1 19 . 1 1 39 39 HIS CA C 39 52.146 52.146 53.803 -1.657 19954 12321 1 19 . 1 1 39 39 HIS CB C 39 25.506 25.506 28.736 -3.230 19954 12322 1 19 . 1 1 39 39 HIS H H 39 7.094 7.094 7.706 -0.612 19954 12323 1 19 . 1 1 40 40 ILE N N 40 121.885 121.885 122.882 -0.997 19954 12324 1 19 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.906 -0.480 19954 12325 1 19 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.701 0.892 19954 12326 1 19 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.247 -1.074 19954 12327 1 19 . 1 1 40 40 ILE H H 40 7.630 7.630 8.236 -0.606 19954 12328 1 19 . 1 1 41 41 ASP N N 41 114.814 114.814 118.265 -3.451 19954 12329 1 19 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.605 -0.419 19954 12330 1 19 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.063 -0.047 19954 12331 1 19 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.410 -3.574 19954 12332 1 19 . 1 1 41 41 ASP H H 41 8.433 8.433 8.506 -0.073 19954 12333 1 19 . 1 1 42 42 ILE N N 42 113.793 113.793 112.566 1.227 19954 12334 1 19 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.603 0.109 19954 12335 1 19 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.247 -2.006 19954 12336 1 19 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.359 -3.463 19954 12337 1 19 . 1 1 42 42 ILE H H 42 7.447 7.447 7.239 0.208 19954 12338 1 19 . 1 1 43 43 GLU N N 43 120.845 120.845 122.868 -2.023 19954 12339 1 19 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.133 -0.087 19954 12340 1 19 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.637 -2.869 19954 12341 1 19 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.791 -4.774 19954 12342 1 19 . 1 1 43 43 GLU H H 43 8.195 8.195 8.037 0.158 19954 12343 1 19 . 1 1 44 44 SER N N 44 113.781 113.781 116.370 -2.589 19954 12344 1 19 . 1 1 44 44 SER HA H 44 3.944 3.944 4.128 -0.184 19954 12345 1 19 . 1 1 44 44 SER CA C 44 59.590 59.590 61.955 -2.365 19954 12346 1 19 . 1 1 44 44 SER CB C 44 59.878 59.878 62.844 -2.966 19954 12347 1 19 . 1 1 44 44 SER H H 44 8.728 8.728 8.575 0.153 19954 12348 1 19 . 1 1 45 45 LYS N N 45 121.258 121.258 120.160 1.098 19954 12349 1 19 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.048 0.031 19954 12350 1 19 . 1 1 45 45 LYS CA C 45 56.190 56.190 59.004 -2.814 19954 12351 1 19 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.530 -1.053 19954 12352 1 19 . 1 1 45 45 LYS H H 45 7.329 7.329 8.355 -1.026 19954 12353 1 19 . 1 1 46 46 ILE N N 46 121.022 121.022 121.730 -0.708 19954 12354 1 19 . 1 1 46 46 ILE HA H 46 3.363 3.363 4.069 -0.706 19954 12355 1 19 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.232 -1.975 19954 12356 1 19 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.828 -0.936 19954 12357 1 19 . 1 1 46 46 ILE H H 46 7.360 7.360 8.014 -0.654 19954 12358 1 19 . 1 1 47 47 ILE N N 47 118.543 118.543 119.384 -0.841 19954 12359 1 19 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.648 0.091 19954 12360 1 19 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.173 -5.516 19954 12361 1 19 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.552 -4.424 19954 12362 1 19 . 1 1 47 47 ILE H H 47 9.378 9.378 8.229 1.149 19954 12363 1 19 . 1 1 48 48 SER N N 48 113.001 113.001 115.772 -2.771 19954 12364 1 19 . 1 1 48 48 SER HA H 48 4.016 4.016 4.131 -0.115 19954 12365 1 19 . 1 1 48 48 SER CA C 48 59.574 59.574 61.795 -2.221 19954 12366 1 19 . 1 1 48 48 SER CB C 48 60.341 60.341 63.216 -2.875 19954 12367 1 19 . 1 1 48 48 SER H H 48 7.382 7.382 8.679 -1.297 19954 12368 1 19 . 1 1 49 49 LEU N N 49 120.059 120.059 123.291 -3.232 19954 12369 1 19 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.157 0.013 19954 12370 1 19 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.403 -2.737 19954 12371 1 19 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.027 -2.277 19954 12372 1 19 . 1 1 49 49 LEU H H 49 7.477 7.477 8.236 -0.759 19954 12373 1 19 . 1 1 50 50 ILE N N 50 115.429 115.429 117.547 -2.118 19954 12374 1 19 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.504 0.589 19954 12375 1 19 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.039 -2.235 19954 12376 1 19 . 1 1 50 50 ILE H H 50 8.081 8.081 7.806 0.275 19954 12377 1 19 . 1 1 51 51 ILE N N 51 125.106 125.106 122.227 2.879 19954 12378 1 19 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.591 -0.136 19954 12379 1 19 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.224 -2.076 19954 12380 1 19 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.742 -2.023 19954 12381 1 19 . 1 1 51 51 ILE H H 51 8.194 8.194 8.016 0.178 19954 12382 1 19 . 1 1 52 52 ASP N N 52 119.519 119.519 119.626 -0.107 19954 12383 1 19 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.266 -0.022 19954 12384 1 19 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.666 -3.683 19954 12385 1 19 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.961 -3.096 19954 12386 1 19 . 1 1 52 52 ASP H H 52 7.850 7.850 8.243 -0.393 19954 12387 1 19 . 1 1 53 53 TYR N N 53 118.402 118.402 119.597 -1.195 19954 12388 1 19 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.000 -0.108 19954 12389 1 19 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.124 -1.379 19954 12390 1 19 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.353 -2.489 19954 12391 1 19 . 1 1 53 53 TYR H H 53 8.260 8.260 8.782 -0.522 19954 12392 1 19 . 1 1 54 54 SER N N 54 111.626 111.626 115.975 -4.349 19954 12393 1 19 . 1 1 54 54 SER HA H 54 4.058 4.058 3.883 0.175 19954 12394 1 19 . 1 1 54 54 SER CA C 54 58.733 58.733 60.875 -2.142 19954 12395 1 19 . 1 1 54 54 SER CB C 54 62.430 62.430 63.528 -1.098 19954 12396 1 19 . 1 1 54 54 SER H H 54 7.316 7.316 7.906 -0.590 19954 12397 1 19 . 1 1 55 55 ARG N N 55 114.937 114.937 122.041 -7.104 19954 12398 1 19 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.693 0.479 19954 12399 1 19 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.940 -1.667 19954 12400 1 19 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.497 -1.247 19954 12401 1 19 . 1 1 55 55 ARG H H 55 7.901 7.901 7.498 0.403 19954 12402 1 19 . 1 1 56 56 LEU N N 56 116.307 116.307 120.296 -3.989 19954 12403 1 19 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.972 0.231 19954 12404 1 19 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.932 -4.132 19954 12405 1 19 . 1 1 56 56 LEU CB C 56 40.868 40.868 41.944 -1.076 19954 12406 1 19 . 1 1 56 56 LEU H H 56 7.802 7.802 7.711 0.091 19954 12407 1 19 . 1 1 57 57 CYS N N 57 119.062 119.062 117.252 1.810 19954 12408 1 19 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.281 -0.041 19954 12409 1 19 . 1 1 57 57 CYS CA C 57 53.750 53.750 59.742 -5.992 19954 12410 1 19 . 1 1 57 57 CYS CB C 57 22.076 22.076 28.360 -6.284 19954 12411 1 19 . 1 1 57 57 CYS H H 57 7.717 7.717 7.418 0.299 19954 12412 1 19 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.348 -0.003 19954 12413 1 19 . 1 1 58 58 PRO CA C 58 60.482 60.482 64.973 -4.491 19954 12414 1 19 . 1 1 58 58 PRO CB C 58 30.160 30.160 31.938 -1.778 19954 12415 1 19 . 1 1 59 59 ASP N N 59 123.671 123.671 116.790 6.881 19954 12416 1 19 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.282 -0.365 19954 12417 1 19 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.047 -2.233 19954 12418 1 19 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.570 -2.646 19954 12419 1 19 . 1 1 59 59 ASP H H 59 8.696 8.696 8.655 0.041 19954 12420 1 19 . 1 1 60 60 SER N N 60 110.600 110.600 116.343 -5.743 19954 12421 1 19 . 1 1 60 60 SER HA H 60 4.103 4.103 3.915 0.188 19954 12422 1 19 . 1 1 60 60 SER CA C 60 57.379 57.379 61.407 -4.028 19954 12423 1 19 . 1 1 60 60 SER CB C 60 61.562 61.562 62.543 -0.981 19954 12424 1 19 . 1 1 60 60 SER H H 60 8.119 8.119 8.460 -0.341 19954 12425 1 19 . 1 1 61 61 HIS N N 61 122.391 122.391 119.761 2.630 19954 12426 1 19 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.173 0.460 19954 12427 1 19 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.531 -3.817 19954 12428 1 19 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.341 0.601 19954 12429 1 19 . 1 1 61 61 HIS H H 61 8.123 8.123 8.358 -0.235 19954 12430 1 19 . 1 1 62 62 LYS N N 62 121.665 121.665 119.462 2.203 19954 12431 1 19 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.149 0.546 19954 12432 1 19 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.153 -3.393 19954 12433 1 19 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.814 -1.518 19954 12434 1 19 . 1 1 62 62 LYS H H 62 7.512 7.512 6.807 0.705 19954 12435 1 19 . 1 1 63 63 LEU N N 63 117.792 117.792 119.700 -1.908 19954 12436 1 19 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.772 -0.314 19954 12437 1 19 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.275 -0.650 19954 12438 1 19 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.081 -3.032 19954 12439 1 19 . 1 1 63 63 LEU H H 63 8.136 8.136 7.279 0.857 19954 12440 1 19 . 1 1 64 64 GLY N N 64 105.340 105.340 105.833 -0.493 19954 12441 1 19 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.698 -2.151 19954 12442 1 19 . 1 1 64 64 GLY H H 64 8.616 8.616 8.231 0.385 19954 12443 1 19 . 1 1 65 65 SER N N 65 117.745 117.745 118.080 -0.335 19954 12444 1 19 . 1 1 65 65 SER HA H 65 4.265 4.265 4.384 -0.119 19954 12445 1 19 . 1 1 65 65 SER CA C 65 58.998 58.998 61.723 -2.725 19954 12446 1 19 . 1 1 65 65 SER CB C 65 67.350 67.350 63.305 4.045 19954 12447 1 19 . 1 1 65 65 SER H H 65 7.894 7.894 8.166 -0.272 19954 12448 1 19 . 1 1 66 66 LEU N N 66 124.161 124.161 121.974 2.187 19954 12449 1 19 . 1 1 66 66 LEU HA H 66 4.301 4.301 4.029 0.272 19954 12450 1 19 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.787 -4.732 19954 12451 1 19 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.961 -3.854 19954 12452 1 19 . 1 1 66 66 LEU H H 66 7.407 7.407 7.643 -0.236 19954 12453 1 19 . 1 1 67 67 TYR N N 67 121.466 121.466 117.436 4.030 19954 12454 1 19 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.256 0.288 19954 12455 1 19 . 1 1 67 67 TYR CA C 67 53.439 53.439 59.722 -6.283 19954 12456 1 19 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.544 -3.363 19954 12457 1 19 . 1 1 67 67 TYR H H 67 8.001 8.001 8.033 -0.032 19954 12458 1 19 . 1 1 68 68 ILE N N 68 121.357 121.357 120.631 0.726 19954 12459 1 19 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.599 -0.364 19954 12460 1 19 . 1 1 68 68 ILE CA C 68 64.382 64.382 65.769 -1.387 19954 12461 1 19 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.963 -1.883 19954 12462 1 19 . 1 1 68 68 ILE H H 68 7.811 7.811 8.305 -0.494 19954 12463 1 19 . 1 1 69 69 ILE N N 69 117.955 117.955 119.411 -1.456 19954 12464 1 19 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.523 -0.174 19954 12465 1 19 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.230 -1.817 19954 12466 1 19 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.294 -1.375 19954 12467 1 19 . 1 1 69 69 ILE H H 69 6.886 6.886 8.562 -1.676 19954 12468 1 19 . 1 1 70 70 ASP N N 70 118.932 118.932 119.916 -0.984 19954 12469 1 19 . 1 1 70 70 ASP HA H 70 4.396 4.396 3.871 0.525 19954 12470 1 19 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.182 -2.147 19954 12471 1 19 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.180 0.409 19954 12472 1 19 . 1 1 70 70 ASP H H 70 9.100 9.100 8.352 0.748 19954 12473 1 19 . 1 1 71 71 SER N N 71 110.354 110.354 116.256 -5.902 19954 12474 1 19 . 1 1 71 71 SER HA H 71 4.104 4.104 4.074 0.030 19954 12475 1 19 . 1 1 71 71 SER CA C 71 58.746 58.746 62.000 -3.254 19954 12476 1 19 . 1 1 71 71 SER CB C 71 61.136 61.136 62.757 -1.621 19954 12477 1 19 . 1 1 71 71 SER H H 71 7.938 7.938 7.935 0.003 19954 12478 1 19 . 1 1 72 72 ILE N N 72 117.565 117.565 122.442 -4.877 19954 12479 1 19 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.561 -0.296 19954 12480 1 19 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.642 -0.993 19954 12481 1 19 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.160 -1.395 19954 12482 1 19 . 1 1 72 72 ILE H H 72 7.912 7.912 7.849 0.063 19954 12483 1 19 . 1 1 73 73 GLY N N 73 107.350 107.350 107.713 -0.363 19954 12484 1 19 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.209 -2.462 19954 12485 1 19 . 1 1 73 73 GLY H H 73 8.847 8.847 8.460 0.387 19954 12486 1 19 . 1 1 74 74 ARG N N 74 118.068 118.068 122.483 -4.415 19954 12487 1 19 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.864 0.086 19954 12488 1 19 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.623 -0.451 19954 12489 1 19 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.084 -2.413 19954 12490 1 19 . 1 1 74 74 ARG H H 74 8.705 8.705 8.017 0.688 19954 12491 1 19 . 1 1 75 75 ALA N N 75 123.817 123.817 122.476 1.341 19954 12492 1 19 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.034 0.182 19954 12493 1 19 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.237 -2.375 19954 12494 1 19 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.474 -3.073 19954 12495 1 19 . 1 1 75 75 ALA H H 75 7.673 7.673 7.929 -0.256 19954 12496 1 19 . 1 1 76 76 TYR N N 76 119.918 119.918 118.791 1.127 19954 12497 1 19 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.168 0.369 19954 12498 1 19 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.152 -5.059 19954 12499 1 19 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.746 -3.943 19954 12500 1 19 . 1 1 76 76 TYR H H 76 8.659 8.659 8.427 0.232 19954 12501 1 19 . 1 1 77 77 LEU N N 77 123.387 123.387 120.191 3.196 19954 12502 1 19 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.781 0.033 19954 12503 1 19 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.591 -3.416 19954 12504 1 19 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.754 -1.880 19954 12505 1 19 . 1 1 77 77 LEU H H 77 8.756 8.756 8.648 0.108 19954 12506 1 19 . 1 1 78 78 ASP N N 78 120.181 120.181 118.356 1.825 19954 12507 1 19 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.278 0.017 19954 12508 1 19 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.749 -2.946 19954 12509 1 19 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.548 -2.725 19954 12510 1 19 . 1 1 78 78 ASP H H 78 7.891 7.891 8.193 -0.302 19954 12511 1 19 . 1 1 79 79 GLU N N 79 120.503 120.503 118.761 1.742 19954 12512 1 19 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.962 0.056 19954 12513 1 19 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.151 -2.677 19954 12514 1 19 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.100 -1.896 19954 12515 1 19 . 1 1 79 79 GLU H H 79 7.502 7.502 8.019 -0.517 19954 12516 1 19 . 1 1 80 80 THR N N 80 111.013 111.013 114.735 -3.722 19954 12517 1 19 . 1 1 80 80 THR HA H 80 4.151 4.151 3.886 0.265 19954 12518 1 19 . 1 1 80 80 THR CA C 80 61.984 61.984 64.907 -2.923 19954 12519 1 19 . 1 1 80 80 THR CB C 80 67.420 67.420 68.649 -1.229 19954 12520 1 19 . 1 1 80 80 THR H H 80 7.883 7.883 7.763 0.120 19954 12521 1 19 . 1 1 81 81 ARG N N 81 120.172 120.172 120.246 -0.074 19954 12522 1 19 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.006 0.073 19954 12523 1 19 . 1 1 81 81 ARG CA C 81 55.137 55.137 59.108 -3.971 19954 12524 1 19 . 1 1 81 81 ARG H H 81 7.471 7.471 8.170 -0.699 19954 12525 1 19 . 1 1 82 82 SER N N 82 113.571 113.571 114.036 -0.465 19954 12526 1 19 . 1 1 82 82 SER HA H 82 4.329 4.329 4.205 0.124 19954 12527 1 19 . 1 1 82 82 SER CA C 82 56.193 56.193 60.832 -4.639 19954 12528 1 19 . 1 1 82 82 SER CB C 82 72.312 72.312 63.157 9.155 19954 12529 1 19 . 1 1 82 82 SER H H 82 7.744 7.744 8.084 -0.340 19954 12530 1 19 . 1 1 83 83 ASN N N 83 119.990 119.990 119.351 0.639 19954 12531 1 19 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.731 0.011 19954 12532 1 19 . 1 1 83 83 ASN CA C 83 50.163 50.163 54.713 -4.550 19954 12533 1 19 . 1 1 83 83 ASN H H 83 7.792 7.792 7.854 -0.062 19954 12534 1 19 . 1 1 84 84 SER N N 84 116.799 116.799 110.118 6.681 19954 12535 1 19 . 1 1 84 84 SER HA H 84 4.291 4.291 4.458 -0.167 19954 12536 1 19 . 1 1 84 84 SER CA C 84 56.325 56.325 57.805 -1.480 19954 12537 1 19 . 1 1 84 84 SER H H 84 8.352 8.352 7.993 0.359 19954 12538 1 19 . 1 1 85 85 ASN N N 85 120.087 120.087 118.096 1.991 19954 12539 1 19 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.796 -0.129 19954 12540 1 19 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.278 -1.470 19954 12541 1 19 . 1 1 85 85 ASN H H 85 8.362 8.362 8.208 0.154 19954 12542 1 19 . 1 1 86 86 SER N N 86 116.068 116.068 113.259 2.809 19954 12543 1 19 . 1 1 86 86 SER HA H 86 4.362 4.362 4.573 -0.211 19954 12544 1 19 . 1 1 86 86 SER CA C 86 55.853 55.853 57.422 -1.569 19954 12545 1 19 . 1 1 86 86 SER H H 86 8.102 8.102 8.105 -0.003 19954 12546 1 19 . 1 1 87 87 SER N N 87 117.615 117.615 117.208 0.407 19954 12547 1 19 . 1 1 87 87 SER HA H 87 4.302 4.302 4.658 -0.356 19954 12548 1 19 . 1 1 87 87 SER CA C 87 55.608 55.608 58.444 -2.836 19954 12549 1 19 . 1 1 87 87 SER H H 87 8.269 8.269 8.388 -0.119 19954 12550 1 19 . 1 1 88 88 SER N N 88 122.455 122.455 114.829 7.626 19954 12551 1 19 . 1 1 88 88 SER CA C 88 53.710 53.710 57.755 -4.045 19954 12552 1 19 . 1 1 88 88 SER H H 88 8.377 8.377 8.379 -0.002 19954 12553 1 19 . 1 1 89 89 ASN N N 89 115.430 115.430 121.535 -6.105 19954 12554 1 19 . 1 1 89 89 ASN CA C 89 58.900 58.900 52.976 5.924 19954 12555 1 19 . 1 1 89 89 ASN H H 89 8.141 8.141 8.410 -0.269 19954 12556 1 19 . 1 1 90 90 LYS N N 90 128.071 128.071 121.971 6.100 19954 12557 1 19 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.481 -1.101 19954 12558 1 19 . 1 1 90 90 LYS H H 90 7.961 7.961 8.373 -0.412 19954 12559 1 19 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.487 -1.082 19954 12560 1 19 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.760 -2.139 19954 12561 1 19 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.657 -3.964 19954 12562 1 19 . 1 1 92 92 GLY N N 92 112.403 112.403 104.200 8.203 19954 12563 1 19 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.200 -2.896 19954 12564 1 19 . 1 1 92 92 GLY H H 92 10.139 10.139 8.492 1.647 19954 12565 1 19 . 1 1 93 93 THR N N 93 106.254 106.254 111.468 -5.214 19954 12566 1 19 . 1 1 93 93 THR HA H 93 4.527 4.527 5.188 -0.661 19954 12567 1 19 . 1 1 93 93 THR CA C 93 56.663 56.663 60.014 -3.351 19954 12568 1 19 . 1 1 93 93 THR CB C 93 70.927 70.927 70.686 0.241 19954 12569 1 19 . 1 1 93 93 THR H H 93 7.180 7.180 7.701 -0.521 19954 12570 1 19 . 1 1 94 94 CYS N N 94 121.465 121.465 119.282 2.183 19954 12571 1 19 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.696 -0.246 19954 12572 1 19 . 1 1 94 94 CYS CA C 94 60.867 60.867 61.338 -0.471 19954 12573 1 19 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.017 -0.771 19954 12574 1 19 . 1 1 94 94 CYS H H 94 8.777 8.777 8.567 0.210 19954 12575 1 19 . 1 1 95 95 ALA N N 95 119.619 119.619 124.374 -4.755 19954 12576 1 19 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.767 0.075 19954 12577 1 19 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.169 -2.424 19954 12578 1 19 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.900 -2.196 19954 12579 1 19 . 1 1 95 95 ALA H H 95 8.392 8.392 8.374 0.018 19954 12580 1 19 . 1 1 96 96 HIS N N 96 118.081 118.081 118.746 -0.665 19954 12581 1 19 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.218 -0.012 19954 12582 1 19 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.654 -1.963 19954 12583 1 19 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.365 -2.281 19954 12584 1 19 . 1 1 96 96 HIS H H 96 7.631 7.631 8.064 -0.433 19954 12585 1 19 . 1 1 97 97 ALA N N 97 123.652 123.652 123.072 0.580 19954 12586 1 19 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.269 -0.328 19954 12587 1 19 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.278 -2.120 19954 12588 1 19 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.597 -0.933 19954 12589 1 19 . 1 1 97 97 ALA H H 97 7.347 7.347 8.172 -0.825 19954 12590 1 19 . 1 1 98 98 ILE N N 98 115.278 115.278 118.616 -3.338 19954 12591 1 19 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.309 0.215 19954 12592 1 19 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.621 -2.638 19954 12593 1 19 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.023 -1.356 19954 12594 1 19 . 1 1 98 98 ILE H H 98 7.916 7.916 8.222 -0.306 19954 12595 1 19 . 1 1 99 99 ASN N N 99 120.684 120.684 118.548 2.136 19954 12596 1 19 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.290 0.114 19954 12597 1 19 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.680 -2.541 19954 12598 1 19 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.234 -1.989 19954 12599 1 19 . 1 1 99 99 ASN H H 99 7.978 7.978 7.959 0.019 19954 12600 1 19 . 1 1 100 100 THR N N 100 117.791 117.791 117.476 0.315 19954 12601 1 19 . 1 1 100 100 THR HA H 100 3.630 3.630 4.031 -0.401 19954 12602 1 19 . 1 1 100 100 THR CA C 100 63.899 63.899 66.393 -2.494 19954 12603 1 19 . 1 1 100 100 THR CB C 100 66.038 66.038 68.852 -2.814 19954 12604 1 19 . 1 1 100 100 THR H H 100 8.295 8.295 8.309 -0.014 19954 12605 1 19 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.936 -0.218 19954 12606 1 19 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.289 -3.864 19954 12607 1 19 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.870 -0.682 19954 12608 1 19 . 1 1 101 101 LEU H H 101 7.825 7.825 8.480 -0.655 19954 12609 1 19 . 1 1 102 102 GLY N N 102 105.767 105.767 103.913 1.854 19954 12610 1 19 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.929 -1.588 19954 12611 1 19 . 1 1 102 102 GLY H H 102 8.591 8.591 8.424 0.167 19954 12612 1 19 . 1 1 103 103 GLU N N 103 116.366 116.366 119.576 -3.210 19954 12613 1 19 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.371 -0.304 19954 12614 1 19 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.823 -2.377 19954 12615 1 19 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.256 -2.879 19954 12616 1 19 . 1 1 103 103 GLU H H 103 7.471 7.471 7.996 -0.525 19954 12617 1 19 . 1 1 104 104 VAL N N 104 108.377 108.377 113.126 -4.749 19954 12618 1 19 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.496 0.260 19954 12619 1 19 . 1 1 104 104 VAL CA C 104 57.855 57.855 61.353 -3.498 19954 12620 1 19 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.436 -2.558 19954 12621 1 19 . 1 1 104 104 VAL H H 104 7.016 7.016 7.946 -0.930 19954 12622 1 19 . 1 1 105 105 ILE N N 105 123.784 123.784 122.795 0.989 19954 12623 1 19 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.646 0.108 19954 12624 1 19 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.662 -6.263 19954 12625 1 19 . 1 1 105 105 ILE CB C 105 35.411 35.411 38.028 -2.617 19954 12626 1 19 . 1 1 105 105 ILE H H 105 7.197 7.197 8.624 -1.427 19954 12627 1 19 . 1 1 106 106 GLN N N 106 121.117 121.117 118.443 2.674 19954 12628 1 19 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.765 -0.110 19954 12629 1 19 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.110 -0.776 19954 12630 1 19 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.259 -0.366 19954 12631 1 19 . 1 1 106 106 GLN H H 106 8.549 8.549 8.646 -0.097 19954 12632 1 19 . 1 1 107 107 GLU N N 107 122.716 122.716 121.425 1.291 19954 12633 1 19 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.032 -0.195 19954 12634 1 19 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.636 -2.048 19954 12635 1 19 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.929 -2.395 19954 12636 1 19 . 1 1 107 107 GLU H H 107 7.762 7.762 7.961 -0.199 19954 12637 1 19 . 1 1 108 108 LEU N N 108 116.615 116.615 121.323 -4.708 19954 12638 1 19 . 1 1 108 108 LEU HA H 108 3.979 3.979 4.066 -0.087 19954 12639 1 19 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.782 -2.988 19954 12640 1 19 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.643 -3.146 19954 12641 1 19 . 1 1 108 108 LEU H H 108 8.016 8.016 7.540 0.476 19954 12642 1 19 . 1 1 109 109 LEU N N 109 118.708 118.708 118.994 -0.286 19954 12643 1 19 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.803 0.037 19954 12644 1 19 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.808 -3.082 19954 12645 1 19 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.626 -0.304 19954 12646 1 19 . 1 1 109 109 LEU H H 109 8.801 8.801 8.454 0.347 19954 12647 1 19 . 1 1 110 110 SER N N 110 114.083 114.083 114.273 -0.190 19954 12648 1 19 . 1 1 110 110 SER HA H 110 3.848 3.848 3.795 0.053 19954 12649 1 19 . 1 1 110 110 SER CA C 110 60.127 60.127 61.983 -1.856 19954 12650 1 19 . 1 1 110 110 SER CB C 110 60.300 60.300 62.657 -2.357 19954 12651 1 19 . 1 1 110 110 SER H H 110 8.161 8.161 8.158 0.003 19954 12652 1 19 . 1 1 111 111 ASP N N 111 120.151 120.151 121.657 -1.506 19954 12653 1 19 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.298 0.044 19954 12654 1 19 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.677 -2.910 19954 12655 1 19 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.455 -0.711 19954 12656 1 19 . 1 1 111 111 ASP H H 111 7.614 7.614 7.924 -0.310 19954 12657 1 19 . 1 1 112 112 ALA N N 112 116.927 116.927 122.600 -5.673 19954 12658 1 19 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.906 -0.317 19954 12659 1 19 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.371 -2.648 19954 12660 1 19 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.547 -0.900 19954 12661 1 19 . 1 1 112 112 ALA H H 112 7.662 7.662 7.886 -0.224 19954 12662 1 19 . 1 1 113 113 ILE N N 113 119.039 119.039 119.120 -0.081 19954 12663 1 19 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.705 -0.478 19954 12664 1 19 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.715 -1.035 19954 12665 1 19 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.408 -1.249 19954 12666 1 19 . 1 1 113 113 ILE H H 113 8.681 8.681 8.475 0.206 19954 12667 1 19 . 1 1 114 114 ALA N N 114 120.055 120.055 122.511 -2.456 19954 12668 1 19 . 1 1 114 114 ALA HA H 114 3.907 3.907 4.066 -0.159 19954 12669 1 19 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.665 -2.077 19954 12670 1 19 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.332 -2.201 19954 12671 1 19 . 1 1 114 114 ALA H H 114 7.716 7.716 8.093 -0.377 19954 12672 1 19 . 1 1 115 115 LYS N N 115 113.845 113.845 119.557 -5.712 19954 12673 1 19 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.080 0.003 19954 12674 1 19 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.328 -3.373 19954 12675 1 19 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.669 -1.036 19954 12676 1 19 . 1 1 115 115 LYS H H 115 7.248 7.248 8.301 -1.053 19954 12677 1 19 . 1 1 116 116 SER N N 116 115.794 115.794 113.845 1.949 19954 12678 1 19 . 1 1 116 116 SER HA H 116 4.503 4.503 4.136 0.367 19954 12679 1 19 . 1 1 116 116 SER CA C 116 57.848 57.848 59.337 -1.489 19954 12680 1 19 . 1 1 116 116 SER CB C 116 63.380 63.380 63.694 -0.314 19954 12681 1 19 . 1 1 116 116 SER H H 116 7.124 7.124 8.204 -1.080 19954 12682 1 19 . 1 1 117 117 ASN N N 117 119.747 119.747 120.313 -0.566 19954 12683 1 19 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.739 -0.217 19954 12684 1 19 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.986 -2.643 19954 12685 1 19 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.349 -4.067 19954 12686 1 19 . 1 1 117 117 ASN H H 117 8.457 8.457 8.509 -0.052 19954 12687 1 19 . 1 1 118 118 GLN N N 118 117.591 117.591 119.632 -2.041 19954 12688 1 19 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.903 -0.126 19954 12689 1 19 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.344 -3.160 19954 12690 1 19 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.442 3.099 19954 12691 1 19 . 1 1 118 118 GLN H H 118 8.418 8.418 8.862 -0.444 19954 12692 1 19 . 1 1 119 119 ASP N N 119 119.281 119.281 118.609 0.672 19954 12693 1 19 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.483 -0.193 19954 12694 1 19 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.594 -3.001 19954 12695 1 19 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.322 -1.419 19954 12696 1 19 . 1 1 119 119 ASP H H 119 7.973 7.973 8.609 -0.636 19954 12697 1 19 . 1 1 120 120 HIS N N 120 118.871 118.871 117.726 1.145 19954 12698 1 19 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.118 0.222 19954 12699 1 19 . 1 1 120 120 HIS CA C 120 55.758 55.758 59.184 -3.426 19954 12700 1 19 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.536 -1.808 19954 12701 1 19 . 1 1 120 120 HIS H H 120 8.702 8.702 8.433 0.269 19954 12702 1 19 . 1 1 121 121 LYS N N 121 120.739 120.739 118.639 2.100 19954 12703 1 19 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.973 -0.205 19954 12704 1 19 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.426 0.259 19954 12705 1 19 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.649 -0.725 19954 12706 1 19 . 1 1 121 121 LYS H H 121 8.990 8.990 8.883 0.107 19954 12707 1 19 . 1 1 122 122 GLU N N 122 117.889 117.889 119.627 -1.738 19954 12708 1 19 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.017 0.045 19954 12709 1 19 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.461 -3.356 19954 12710 1 19 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.139 -2.447 19954 12711 1 19 . 1 1 122 122 GLU H H 122 7.615 7.615 8.057 -0.442 19954 12712 1 19 . 1 1 123 123 LYS N N 123 119.139 119.139 119.058 0.081 19954 12713 1 19 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.090 -0.131 19954 12714 1 19 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.766 -2.164 19954 12715 1 19 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.958 -1.735 19954 12716 1 19 . 1 1 123 123 LYS H H 123 7.550 7.550 7.632 -0.082 19954 12717 1 19 . 1 1 124 124 ILE N N 124 123.103 123.103 120.077 3.026 19954 12718 1 19 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.520 -0.294 19954 12719 1 19 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.726 -2.042 19954 12720 1 19 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.573 -2.830 19954 12721 1 19 . 1 1 124 124 ILE H H 124 8.356 8.356 7.791 0.565 19954 12722 1 19 . 1 1 125 125 ARG N N 125 122.162 122.162 119.666 2.496 19954 12723 1 19 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.811 -0.705 19954 12724 1 19 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.531 -1.506 19954 12725 1 19 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.046 1.925 19954 12726 1 19 . 1 1 125 125 ARG H H 125 7.988 7.988 7.925 0.063 19954 12727 1 19 . 1 1 126 126 MET N N 126 115.215 115.215 118.554 -3.339 19954 12728 1 19 . 1 1 126 126 MET HA H 126 3.973 3.973 4.057 -0.084 19954 12729 1 19 . 1 1 126 126 MET CA C 126 55.896 55.896 59.031 -3.135 19954 12730 1 19 . 1 1 126 126 MET CB C 126 29.856 29.856 32.363 -2.507 19954 12731 1 19 . 1 1 126 126 MET H H 126 7.455 7.455 7.800 -0.345 19954 12732 1 19 . 1 1 127 127 LEU N N 127 122.351 122.351 120.769 1.582 19954 12733 1 19 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.783 -0.231 19954 12734 1 19 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.650 -2.862 19954 12735 1 19 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.076 -1.798 19954 12736 1 19 . 1 1 127 127 LEU H H 127 7.479 7.479 7.670 -0.191 19954 12737 1 19 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.162 0.721 19954 12738 1 19 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.526 -3.179 19954 12739 1 19 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.231 -2.422 19954 12740 1 19 . 1 1 128 128 LEU H H 128 7.841 7.841 7.774 0.067 19954 12741 1 19 . 1 1 129 129 ASP N N 129 116.915 116.915 119.461 -2.546 19954 12742 1 19 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.264 0.123 19954 12743 1 19 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.279 -4.680 19954 12744 1 19 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.581 -2.715 19954 12745 1 19 . 1 1 129 129 ASP H H 129 7.034 7.034 7.760 -0.726 19954 12746 1 19 . 1 1 130 130 ILE N N 130 124.155 124.155 119.883 4.272 19954 12747 1 19 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.643 -0.000 19954 12748 1 19 . 1 1 130 130 ILE CA C 130 63.376 63.376 64.957 -1.581 19954 12749 1 19 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.677 -2.893 19954 12750 1 19 . 1 1 130 130 ILE H H 130 7.671 7.671 7.706 -0.035 19954 12751 1 19 . 1 1 131 131 TRP N N 131 125.421 125.421 119.789 5.632 19954 12752 1 19 . 1 1 131 131 TRP H H 131 8.831 8.831 7.825 1.006 19954 12753 1 19 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.558 2.881 19954 12754 1 19 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.534 -0.051 19954 12755 1 19 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.879 -4.142 19954 12756 1 19 . 1 1 144 144 ALA N N 144 121.013 121.013 123.085 -2.072 19954 12757 1 19 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.805 0.299 19954 12758 1 19 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.799 -2.121 19954 12759 1 19 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.591 -3.216 19954 12760 1 19 . 1 1 144 144 ALA H H 144 8.212 8.212 8.237 -0.025 19954 12761 1 19 . 1 1 145 145 ILE N N 145 117.646 117.646 115.775 1.871 19954 12762 1 19 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.833 -0.005 19954 12763 1 19 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.970 -4.626 19954 12764 1 19 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.428 0.714 19954 12765 1 19 . 1 1 145 145 ILE H H 145 7.183 7.183 7.862 -0.679 19954 12766 1 19 . 1 1 146 146 ARG N N 146 121.150 121.150 121.138 0.012 19954 12767 1 19 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.922 -0.020 19954 12768 1 19 . 1 1 146 146 ARG CA C 146 58.465 58.465 59.077 -0.612 19954 12769 1 19 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.244 -2.461 19954 12770 1 19 . 1 1 146 146 ARG H H 146 8.477 8.477 7.575 0.902 19954 12771 1 19 . 1 1 147 147 SER N N 147 111.836 111.836 115.958 -4.122 19954 12772 1 19 . 1 1 147 147 SER HA H 147 4.162 4.162 4.534 -0.372 19954 12773 1 19 . 1 1 147 147 SER CA C 147 58.642 58.642 58.233 0.409 19954 12774 1 19 . 1 1 147 147 SER CB C 147 60.972 60.972 62.911 -1.939 19954 12775 1 19 . 1 1 147 147 SER H H 147 8.187 8.187 7.939 0.248 19954 12776 1 19 . 1 1 148 148 LYS N N 148 118.675 118.675 126.878 -8.203 19954 12777 1 19 . 1 1 148 148 LYS HA H 148 4.138 4.138 4.017 0.121 19954 12778 1 19 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.700 -3.683 19954 12779 1 19 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.879 -0.099 19954 12780 1 19 . 1 1 148 148 LYS H H 148 7.837 7.837 8.272 -0.435 19954 12781 1 19 . 1 1 149 149 CYS N N 149 113.256 113.256 117.885 -4.629 19954 12782 1 19 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.082 0.510 19954 12783 1 19 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.237 -10.225 19954 12784 1 19 . 1 1 149 149 CYS H H 149 8.267 8.267 8.301 -0.034 19954 12785 1 19 . 1 1 150 150 PHE N N 150 116.623 116.623 120.005 -3.382 19954 12786 1 19 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.037 0.907 19954 12787 1 19 . 1 1 150 150 PHE CA C 150 54.409 54.409 62.414 -8.005 19954 12788 1 19 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.939 -0.886 19954 12789 1 19 . 1 1 150 150 PHE H H 150 7.373 7.373 8.470 -1.097 19954 12790 1 19 . 1 1 151 151 ALA N N 151 122.583 122.583 121.179 1.404 19954 12791 1 19 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.862 0.317 19954 12792 1 19 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.235 -4.594 19954 12793 1 19 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.345 -2.406 19954 12794 1 19 . 1 1 151 151 ALA H H 151 7.710 7.710 8.513 -0.803 19954 12795 1 19 . 1 1 152 152 MET N N 152 118.250 118.250 115.651 2.599 19954 12796 1 19 . 1 1 152 152 MET HA H 152 4.262 4.262 4.036 0.226 19954 12797 1 19 . 1 1 152 152 MET CA C 152 53.482 53.482 58.548 -5.066 19954 12798 1 19 . 1 1 152 152 MET CB C 152 30.488 30.488 31.856 -1.368 19954 12799 1 19 . 1 1 152 152 MET H H 152 8.086 8.086 7.584 0.502 19954 12800 1 19 . 1 1 153 153 ASP N N 153 121.780 121.780 120.152 1.628 19954 12801 1 19 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.361 0.117 19954 12802 1 19 . 1 1 153 153 ASP CA C 153 51.626 51.626 57.511 -5.885 19954 12803 1 19 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.286 -2.826 19954 12804 1 19 . 1 1 153 153 ASP H H 153 8.299 8.299 8.266 0.033 19954 12805 1 19 . 1 1 154 154 LEU N N 154 122.337 122.337 120.093 2.244 19954 12806 1 19 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.029 0.079 19954 12807 1 19 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.908 -5.055 19954 12808 1 19 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.875 -2.159 19954 12809 1 19 . 1 1 154 154 LEU H H 154 8.072 8.072 8.161 -0.089 19954 12810 1 19 . 1 1 155 155 GLU N N 155 119.995 119.995 118.503 1.492 19954 12811 1 19 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.078 -0.083 19954 12812 1 19 . 1 1 155 155 GLU CA C 155 54.299 54.299 59.099 -4.800 19954 12813 1 19 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.842 -2.208 19954 12814 1 19 . 1 1 155 155 GLU H H 155 8.151 8.151 7.908 0.243 19954 12815 1 19 . 1 1 156 156 HIS N N 156 118.980 118.980 116.758 2.222 19954 12816 1 19 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.727 -0.507 19954 12817 1 19 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.156 -2.712 19954 12818 1 19 . 1 1 156 156 HIS H H 156 8.007 8.007 8.030 -0.023 19954 12819 1 19 . 1 1 157 157 HIS N N 157 121.956 121.956 117.183 4.773 19954 12820 1 19 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.376 0.035 19954 12821 1 19 . 1 1 157 157 HIS CA C 157 53.252 53.252 57.722 -4.470 19954 12822 1 19 . 1 1 157 157 HIS H H 157 8.580 8.580 8.181 0.399 19954 12823 1 19 . 1 1 158 158 HIS N N 158 125.474 125.474 116.651 8.823 19954 12824 1 19 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.499 -0.871 19954 12825 1 19 . 1 1 158 158 HIS H H 158 7.906 7.906 8.099 -0.193 19954 12826 1 20 . 1 1 4 4 ASP HA H 4 4.315 4.315 4.504 -0.189 19954 12827 1 20 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.992 -4.278 19954 12828 1 20 . 1 1 5 5 ASP N N 5 120.880 120.880 115.936 4.944 19954 12829 1 20 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.807 -0.353 19954 12830 1 20 . 1 1 5 5 ASP CA C 5 52.575 52.575 52.765 -0.190 19954 12831 1 20 . 1 1 5 5 ASP CB C 5 38.724 38.724 39.967 -1.243 19954 12832 1 20 . 1 1 5 5 ASP H H 5 8.277 8.277 8.111 0.166 19954 12833 1 20 . 1 1 6 6 ASP N N 6 120.876 120.876 119.806 1.070 19954 12834 1 20 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.816 -0.334 19954 12835 1 20 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.397 -0.435 19954 12836 1 20 . 1 1 6 6 ASP CB C 6 38.558 38.558 43.073 -4.515 19954 12837 1 20 . 1 1 6 6 ASP H H 6 8.497 8.497 7.527 0.970 19954 12838 1 20 . 1 1 7 7 PHE N N 7 122.789 122.789 120.247 2.542 19954 12839 1 20 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.311 -0.202 19954 12840 1 20 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.880 -2.010 19954 12841 1 20 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.494 -2.827 19954 12842 1 20 . 1 1 7 7 PHE H H 7 8.337 8.337 8.739 -0.402 19954 12843 1 20 . 1 1 8 8 GLN N N 8 116.255 116.255 119.454 -3.199 19954 12844 1 20 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.815 -0.066 19954 12845 1 20 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.594 -3.869 19954 12846 1 20 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.031 -3.243 19954 12847 1 20 . 1 1 8 8 GLN H H 8 8.488 8.488 8.691 -0.203 19954 12848 1 20 . 1 1 9 9 ASN N N 9 118.242 118.242 118.010 0.232 19954 12849 1 20 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.295 0.019 19954 12850 1 20 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.107 -2.532 19954 12851 1 20 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.353 -2.100 19954 12852 1 20 . 1 1 9 9 ASN H H 9 7.801 7.801 7.778 0.023 19954 12853 1 20 . 1 1 10 10 PHE N N 10 124.982 124.982 120.939 4.043 19954 12854 1 20 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.685 -0.231 19954 12855 1 20 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.137 -2.143 19954 12856 1 20 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.199 -3.164 19954 12857 1 20 . 1 1 10 10 PHE H H 10 6.924 6.924 6.780 0.144 19954 12858 1 20 . 1 1 11 11 VAL N N 11 118.513 118.513 118.861 -0.348 19954 12859 1 20 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.094 -0.260 19954 12860 1 20 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.572 -2.341 19954 12861 1 20 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.085 -1.007 19954 12862 1 20 . 1 1 11 11 VAL H H 11 7.448 7.448 7.730 -0.282 19954 12863 1 20 . 1 1 12 12 ALA N N 12 119.214 119.214 121.047 -1.833 19954 12864 1 20 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.820 0.064 19954 12865 1 20 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.660 -3.234 19954 12866 1 20 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.869 -2.220 19954 12867 1 20 . 1 1 12 12 ALA H H 12 8.028 8.028 8.468 -0.440 19954 12868 1 20 . 1 1 13 13 THR N N 13 116.435 116.435 115.725 0.710 19954 12869 1 20 . 1 1 13 13 THR HA H 13 3.624 3.624 3.840 -0.216 19954 12870 1 20 . 1 1 13 13 THR CA C 13 64.041 64.041 66.041 -2.001 19954 12871 1 20 . 1 1 13 13 THR CB C 13 65.118 65.118 68.199 -3.081 19954 12872 1 20 . 1 1 13 13 THR H H 13 7.638 7.638 7.692 -0.054 19954 12873 1 20 . 1 1 14 14 LEU N N 14 126.284 126.284 121.838 4.446 19954 12874 1 20 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.532 0.098 19954 12875 1 20 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.855 -2.369 19954 12876 1 20 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.264 -2.412 19954 12877 1 20 . 1 1 14 14 LEU H H 14 7.975 7.975 7.440 0.535 19954 12878 1 20 . 1 1 15 15 GLU N N 15 116.145 116.145 118.537 -2.392 19954 12879 1 20 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.866 -0.049 19954 12880 1 20 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.984 -3.590 19954 12881 1 20 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.135 -2.227 19954 12882 1 20 . 1 1 15 15 GLU H H 15 8.503 8.503 8.554 -0.051 19954 12883 1 20 . 1 1 16 16 SER N N 16 114.452 114.452 114.345 0.107 19954 12884 1 20 . 1 1 16 16 SER HA H 16 4.196 4.196 4.177 0.019 19954 12885 1 20 . 1 1 16 16 SER CA C 16 58.515 58.515 61.039 -2.524 19954 12886 1 20 . 1 1 16 16 SER CB C 16 60.155 60.155 63.073 -2.918 19954 12887 1 20 . 1 1 16 16 SER H H 16 7.643 7.643 8.013 -0.370 19954 12888 1 20 . 1 1 17 17 PHE N N 17 124.020 124.020 121.522 2.498 19954 12889 1 20 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.079 -0.255 19954 12890 1 20 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.770 -1.435 19954 12891 1 20 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.896 -2.042 19954 12892 1 20 . 1 1 17 17 PHE H H 17 8.082 8.082 7.914 0.168 19954 12893 1 20 . 1 1 18 18 LYS N N 18 116.570 116.570 118.206 -1.636 19954 12894 1 20 . 1 1 18 18 LYS HA H 18 3.947 3.947 3.946 0.001 19954 12895 1 20 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.529 -1.674 19954 12896 1 20 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.748 -2.296 19954 12897 1 20 . 1 1 18 18 LYS H H 18 7.849 7.849 7.795 0.054 19954 12898 1 20 . 1 1 19 19 ASP N N 19 116.332 116.332 119.915 -3.583 19954 12899 1 20 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.461 0.078 19954 12900 1 20 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.863 -3.706 19954 12901 1 20 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.385 -2.682 19954 12902 1 20 . 1 1 19 19 ASP H H 19 7.276 7.276 7.852 -0.576 19954 12903 1 20 . 1 1 20 20 LEU N N 20 119.769 119.769 119.868 -0.099 19954 12904 1 20 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.132 0.267 19954 12905 1 20 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.577 -4.578 19954 12906 1 20 . 1 1 20 20 LEU H H 20 7.226 7.226 7.685 -0.459 19954 12907 1 20 . 1 1 21 21 LYS N N 21 126.041 126.041 120.162 5.879 19954 12908 1 20 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.237 -0.174 19954 12909 1 20 . 1 1 21 21 LYS CA C 21 56.849 56.849 58.537 -1.688 19954 12910 1 20 . 1 1 21 21 LYS CB C 21 31.634 31.634 32.543 -0.909 19954 12911 1 20 . 1 1 21 21 LYS H H 21 9.203 9.203 8.510 0.693 19954 12912 1 20 . 1 1 22 22 SER N N 22 109.885 109.885 113.126 -3.241 19954 12913 1 20 . 1 1 22 22 SER HA H 22 4.322 4.322 4.525 -0.203 19954 12914 1 20 . 1 1 22 22 SER CA C 22 55.254 55.254 58.112 -2.858 19954 12915 1 20 . 1 1 22 22 SER CB C 22 62.254 62.254 64.245 -1.990 19954 12916 1 20 . 1 1 22 22 SER H H 22 8.607 8.607 7.925 0.682 19954 12917 1 20 . 1 1 23 23 GLY N N 23 106.286 106.286 108.104 -1.818 19954 12918 1 20 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.868 -0.888 19954 12919 1 20 . 1 1 23 23 GLY H H 23 6.619 6.619 7.890 -1.271 19954 12920 1 20 . 1 1 24 24 ILE N N 24 118.883 118.883 117.053 1.830 19954 12921 1 20 . 1 1 24 24 ILE HA H 24 3.984 3.984 4.160 -0.176 19954 12922 1 20 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.213 -1.046 19954 12923 1 20 . 1 1 24 24 ILE CB C 24 39.646 39.646 41.535 -1.889 19954 12924 1 20 . 1 1 24 24 ILE H H 24 7.929 7.929 7.294 0.635 19954 12925 1 20 . 1 1 25 25 SER N N 25 117.952 117.952 120.746 -2.794 19954 12926 1 20 . 1 1 25 25 SER HA H 25 5.093 5.093 4.677 0.416 19954 12927 1 20 . 1 1 25 25 SER CA C 25 52.534 52.534 58.500 -5.966 19954 12928 1 20 . 1 1 25 25 SER CB C 25 61.938 61.938 66.279 -4.341 19954 12929 1 20 . 1 1 25 25 SER H H 25 5.660 5.660 8.684 -3.024 19954 12930 1 20 . 1 1 26 26 GLY N N 26 120.266 120.266 113.662 6.604 19954 12931 1 20 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.102 -1.615 19954 12932 1 20 . 1 1 26 26 GLY H H 26 8.596 8.596 8.699 -0.103 19954 12933 1 20 . 1 1 27 27 SER N N 27 120.500 120.500 116.582 3.918 19954 12934 1 20 . 1 1 27 27 SER HA H 27 4.410 4.410 4.145 0.265 19954 12935 1 20 . 1 1 27 27 SER CA C 27 58.793 58.793 61.482 -2.689 19954 12936 1 20 . 1 1 27 27 SER CB C 27 62.224 62.224 62.997 -0.773 19954 12937 1 20 . 1 1 27 27 SER H H 27 9.846 9.846 8.279 1.567 19954 12938 1 20 . 1 1 28 28 ARG N N 28 123.779 123.779 120.344 3.435 19954 12939 1 20 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.938 -0.053 19954 12940 1 20 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.139 -2.299 19954 12941 1 20 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.889 -1.775 19954 12942 1 20 . 1 1 28 28 ARG H H 28 8.034 8.034 8.291 -0.257 19954 12943 1 20 . 1 1 29 29 ILE N N 29 120.700 120.700 119.768 0.932 19954 12944 1 20 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.344 0.128 19954 12945 1 20 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.277 -0.648 19954 12946 1 20 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.366 -1.698 19954 12947 1 20 . 1 1 29 29 ILE H H 29 8.374 8.374 7.752 0.622 19954 12948 1 20 . 1 1 30 30 LYS N N 30 124.209 124.209 120.216 3.993 19954 12949 1 20 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.896 0.132 19954 12950 1 20 . 1 1 30 30 LYS CA C 30 57.401 57.401 59.753 -2.352 19954 12951 1 20 . 1 1 30 30 LYS CB C 30 29.280 29.280 31.948 -2.668 19954 12952 1 20 . 1 1 30 30 LYS H H 30 8.231 8.231 8.215 0.016 19954 12953 1 20 . 1 1 31 31 LYS N N 31 120.422 120.422 119.784 0.638 19954 12954 1 20 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.015 0.023 19954 12955 1 20 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.353 -1.735 19954 12956 1 20 . 1 1 31 31 LYS CB C 31 30.169 30.169 31.996 -1.827 19954 12957 1 20 . 1 1 31 31 LYS H H 31 7.449 7.449 7.746 -0.297 19954 12958 1 20 . 1 1 32 32 LEU N N 32 118.348 118.348 119.373 -1.025 19954 12959 1 20 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.007 0.054 19954 12960 1 20 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.567 -3.157 19954 12961 1 20 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.337 -1.555 19954 12962 1 20 . 1 1 32 32 LEU H H 32 8.186 8.186 7.969 0.217 19954 12963 1 20 . 1 1 33 33 THR N N 33 116.500 116.500 115.231 1.269 19954 12964 1 20 . 1 1 33 33 THR HA H 33 3.662 3.662 3.887 -0.225 19954 12965 1 20 . 1 1 33 33 THR CA C 33 64.726 64.726 67.622 -2.896 19954 12966 1 20 . 1 1 33 33 THR CB C 33 66.097 66.097 68.471 -2.374 19954 12967 1 20 . 1 1 33 33 THR H H 33 8.066 8.066 8.434 -0.368 19954 12968 1 20 . 1 1 34 34 THR N N 34 119.029 119.029 117.862 1.167 19954 12969 1 20 . 1 1 34 34 THR HA H 34 3.759 3.759 3.836 -0.077 19954 12970 1 20 . 1 1 34 34 THR CA C 34 64.291 64.291 66.458 -2.167 19954 12971 1 20 . 1 1 34 34 THR CB C 34 66.733 66.733 69.018 -2.285 19954 12972 1 20 . 1 1 34 34 THR H H 34 8.685 8.685 8.032 0.653 19954 12973 1 20 . 1 1 35 35 TYR N N 35 120.298 120.298 122.140 -1.842 19954 12974 1 20 . 1 1 35 35 TYR HA H 35 4.202 4.202 3.975 0.227 19954 12975 1 20 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.676 -1.522 19954 12976 1 20 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.252 -2.242 19954 12977 1 20 . 1 1 35 35 TYR H H 35 7.663 7.663 8.174 -0.511 19954 12978 1 20 . 1 1 36 36 ALA N N 36 121.480 121.480 122.144 -0.664 19954 12979 1 20 . 1 1 36 36 ALA HA H 36 3.912 3.912 4.042 -0.130 19954 12980 1 20 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.087 -1.951 19954 12981 1 20 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.363 -3.490 19954 12982 1 20 . 1 1 36 36 ALA H H 36 8.543 8.543 8.540 0.003 19954 12983 1 20 . 1 1 37 37 LEU N N 37 120.767 120.767 119.140 1.627 19954 12984 1 20 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.937 0.166 19954 12985 1 20 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.628 -3.788 19954 12986 1 20 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.978 -1.796 19954 12987 1 20 . 1 1 37 37 LEU H H 37 8.351 8.351 8.122 0.229 19954 12988 1 20 . 1 1 38 38 ASP N N 38 119.008 119.008 117.619 1.389 19954 12989 1 20 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.209 0.247 19954 12990 1 20 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.103 -3.963 19954 12991 1 20 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.050 -2.151 19954 12992 1 20 . 1 1 38 38 ASP H H 38 7.557 7.557 8.035 -0.478 19954 12993 1 20 . 1 1 39 39 HIS N N 39 118.142 118.142 117.654 0.488 19954 12994 1 20 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.690 -0.065 19954 12995 1 20 . 1 1 39 39 HIS CA C 39 52.146 52.146 53.870 -1.724 19954 12996 1 20 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.211 -3.705 19954 12997 1 20 . 1 1 39 39 HIS H H 39 7.094 7.094 7.811 -0.717 19954 12998 1 20 . 1 1 40 40 ILE N N 40 121.885 121.885 122.599 -0.714 19954 12999 1 20 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.919 -0.493 19954 13000 1 20 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.421 1.172 19954 13001 1 20 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.250 -1.077 19954 13002 1 20 . 1 1 40 40 ILE H H 40 7.630 7.630 8.243 -0.613 19954 13003 1 20 . 1 1 41 41 ASP N N 41 114.814 114.814 118.598 -3.784 19954 13004 1 20 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.592 -0.406 19954 13005 1 20 . 1 1 41 41 ASP CA C 41 54.016 54.016 53.992 0.024 19954 13006 1 20 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.150 -3.314 19954 13007 1 20 . 1 1 41 41 ASP H H 41 8.433 8.433 8.510 -0.077 19954 13008 1 20 . 1 1 42 42 ILE N N 42 113.793 113.793 112.265 1.528 19954 13009 1 20 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.574 0.138 19954 13010 1 20 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.606 -2.365 19954 13011 1 20 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.536 -3.640 19954 13012 1 20 . 1 1 42 42 ILE H H 42 7.447 7.447 7.239 0.208 19954 13013 1 20 . 1 1 43 43 GLU N N 43 120.845 120.845 123.030 -2.185 19954 13014 1 20 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.109 -0.063 19954 13015 1 20 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.588 -2.820 19954 13016 1 20 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.466 -4.449 19954 13017 1 20 . 1 1 43 43 GLU H H 43 8.195 8.195 7.955 0.240 19954 13018 1 20 . 1 1 44 44 SER N N 44 113.781 113.781 116.207 -2.426 19954 13019 1 20 . 1 1 44 44 SER HA H 44 3.944 3.944 4.116 -0.172 19954 13020 1 20 . 1 1 44 44 SER CA C 44 59.590 59.590 61.698 -2.108 19954 13021 1 20 . 1 1 44 44 SER CB C 44 59.878 59.878 62.717 -2.839 19954 13022 1 20 . 1 1 44 44 SER H H 44 8.728 8.728 8.575 0.153 19954 13023 1 20 . 1 1 45 45 LYS N N 45 121.258 121.258 121.276 -0.018 19954 13024 1 20 . 1 1 45 45 LYS HA H 45 4.079 4.079 3.991 0.088 19954 13025 1 20 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.737 -2.547 19954 13026 1 20 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.130 -0.653 19954 13027 1 20 . 1 1 45 45 LYS H H 45 7.329 7.329 8.177 -0.848 19954 13028 1 20 . 1 1 46 46 ILE N N 46 121.022 121.022 121.633 -0.611 19954 13029 1 20 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.632 -0.269 19954 13030 1 20 . 1 1 46 46 ILE CA C 46 63.257 63.257 64.972 -1.715 19954 13031 1 20 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.590 -0.698 19954 13032 1 20 . 1 1 46 46 ILE H H 46 7.360 7.360 8.023 -0.663 19954 13033 1 20 . 1 1 47 47 ILE N N 47 118.543 118.543 119.477 -0.934 19954 13034 1 20 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.646 0.093 19954 13035 1 20 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.262 -5.605 19954 13036 1 20 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.334 -4.205 19954 13037 1 20 . 1 1 47 47 ILE H H 47 9.378 9.378 8.187 1.191 19954 13038 1 20 . 1 1 48 48 SER N N 48 113.001 113.001 115.591 -2.590 19954 13039 1 20 . 1 1 48 48 SER HA H 48 4.016 4.016 4.258 -0.242 19954 13040 1 20 . 1 1 48 48 SER CA C 48 59.574 59.574 61.948 -2.374 19954 13041 1 20 . 1 1 48 48 SER CB C 48 60.341 60.341 62.789 -2.448 19954 13042 1 20 . 1 1 48 48 SER H H 48 7.382 7.382 8.623 -1.241 19954 13043 1 20 . 1 1 49 49 LEU N N 49 120.059 120.059 123.162 -3.103 19954 13044 1 20 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.193 -0.023 19954 13045 1 20 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.480 -2.814 19954 13046 1 20 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.145 -2.395 19954 13047 1 20 . 1 1 49 49 LEU H H 49 7.477 7.477 8.342 -0.865 19954 13048 1 20 . 1 1 50 50 ILE N N 50 115.429 115.429 117.772 -2.343 19954 13049 1 20 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.569 0.524 19954 13050 1 20 . 1 1 50 50 ILE CA C 50 62.804 62.804 64.865 -2.061 19954 13051 1 20 . 1 1 50 50 ILE H H 50 8.081 8.081 7.877 0.204 19954 13052 1 20 . 1 1 51 51 ILE N N 51 125.106 125.106 121.470 3.636 19954 13053 1 20 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.537 -0.082 19954 13054 1 20 . 1 1 51 51 ILE CA C 51 64.148 64.148 65.969 -1.821 19954 13055 1 20 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.590 -1.871 19954 13056 1 20 . 1 1 51 51 ILE H H 51 8.194 8.194 8.141 0.053 19954 13057 1 20 . 1 1 52 52 ASP N N 52 119.519 119.519 119.672 -0.153 19954 13058 1 20 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.322 -0.078 19954 13059 1 20 . 1 1 52 52 ASP CA C 52 54.984 54.984 58.059 -3.075 19954 13060 1 20 . 1 1 52 52 ASP CB C 52 37.865 37.865 40.959 -3.094 19954 13061 1 20 . 1 1 52 52 ASP H H 52 7.850 7.850 8.257 -0.406 19954 13062 1 20 . 1 1 53 53 TYR N N 53 118.402 118.402 120.041 -1.639 19954 13063 1 20 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.154 -0.262 19954 13064 1 20 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.466 -1.721 19954 13065 1 20 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.500 -2.636 19954 13066 1 20 . 1 1 53 53 TYR H H 53 8.260 8.260 8.754 -0.494 19954 13067 1 20 . 1 1 54 54 SER N N 54 111.626 111.626 115.263 -3.637 19954 13068 1 20 . 1 1 54 54 SER HA H 54 4.058 4.058 4.298 -0.240 19954 13069 1 20 . 1 1 54 54 SER CA C 54 58.733 58.733 61.182 -2.449 19954 13070 1 20 . 1 1 54 54 SER CB C 54 62.430 62.430 63.422 -0.993 19954 13071 1 20 . 1 1 54 54 SER H H 54 7.316 7.316 8.076 -0.760 19954 13072 1 20 . 1 1 55 55 ARG N N 55 114.937 114.937 120.240 -5.303 19954 13073 1 20 . 1 1 55 55 ARG HA H 55 4.172 4.172 4.081 0.091 19954 13074 1 20 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.822 -1.549 19954 13075 1 20 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.415 -1.165 19954 13076 1 20 . 1 1 55 55 ARG H H 55 7.901 7.901 7.750 0.151 19954 13077 1 20 . 1 1 56 56 LEU N N 56 116.307 116.307 119.855 -3.548 19954 13078 1 20 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.962 0.241 19954 13079 1 20 . 1 1 56 56 LEU CA C 56 52.800 52.800 57.182 -4.382 19954 13080 1 20 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.022 -1.154 19954 13081 1 20 . 1 1 56 56 LEU H H 56 7.802 7.802 7.875 -0.073 19954 13082 1 20 . 1 1 57 57 CYS N N 57 119.062 119.062 115.268 3.794 19954 13083 1 20 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.379 -0.139 19954 13084 1 20 . 1 1 57 57 CYS CA C 57 53.750 53.750 57.381 -3.631 19954 13085 1 20 . 1 1 57 57 CYS CB C 57 22.076 22.076 27.125 -5.049 19954 13086 1 20 . 1 1 57 57 CYS H H 57 7.717 7.717 7.330 0.387 19954 13087 1 20 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.423 -0.078 19954 13088 1 20 . 1 1 58 58 PRO CA C 58 60.482 60.482 62.794 -2.312 19954 13089 1 20 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.455 -2.295 19954 13090 1 20 . 1 1 59 59 ASP N N 59 123.671 123.671 118.317 5.354 19954 13091 1 20 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.189 -0.272 19954 13092 1 20 . 1 1 59 59 ASP CA C 59 55.814 55.814 57.979 -2.165 19954 13093 1 20 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.714 -2.790 19954 13094 1 20 . 1 1 59 59 ASP H H 59 8.696 8.696 8.689 0.007 19954 13095 1 20 . 1 1 60 60 SER N N 60 110.600 110.600 116.946 -6.346 19954 13096 1 20 . 1 1 60 60 SER HA H 60 4.103 4.103 4.056 0.047 19954 13097 1 20 . 1 1 60 60 SER CA C 60 57.379 57.379 61.475 -4.096 19954 13098 1 20 . 1 1 60 60 SER CB C 60 61.562 61.562 62.594 -1.032 19954 13099 1 20 . 1 1 60 60 SER H H 60 8.119 8.119 8.505 -0.386 19954 13100 1 20 . 1 1 61 61 HIS N N 61 122.391 122.391 121.782 0.609 19954 13101 1 20 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.557 0.076 19954 13102 1 20 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.261 -3.547 19954 13103 1 20 . 1 1 61 61 HIS CB C 61 29.942 29.942 28.872 1.070 19954 13104 1 20 . 1 1 61 61 HIS H H 61 8.123 8.123 8.122 0.001 19954 13105 1 20 . 1 1 62 62 LYS N N 62 121.665 121.665 120.624 1.041 19954 13106 1 20 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.967 -0.272 19954 13107 1 20 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.583 -3.823 19954 13108 1 20 . 1 1 62 62 LYS CB C 62 30.296 30.296 32.074 -1.778 19954 13109 1 20 . 1 1 62 62 LYS H H 62 7.512 7.512 8.185 -0.673 19954 13110 1 20 . 1 1 63 63 LEU N N 63 117.792 117.792 120.067 -2.275 19954 13111 1 20 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.801 -0.343 19954 13112 1 20 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.469 -0.844 19954 13113 1 20 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.266 -3.217 19954 13114 1 20 . 1 1 63 63 LEU H H 63 8.136 8.136 8.455 -0.319 19954 13115 1 20 . 1 1 64 64 GLY N N 64 105.340 105.340 106.388 -1.048 19954 13116 1 20 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.639 -2.092 19954 13117 1 20 . 1 1 64 64 GLY H H 64 8.616 8.616 7.895 0.721 19954 13118 1 20 . 1 1 65 65 SER N N 65 117.745 117.745 118.006 -0.261 19954 13119 1 20 . 1 1 65 65 SER HA H 65 4.265 4.265 4.141 0.124 19954 13120 1 20 . 1 1 65 65 SER CA C 65 58.998 58.998 61.837 -2.839 19954 13121 1 20 . 1 1 65 65 SER CB C 65 67.350 67.350 63.086 4.264 19954 13122 1 20 . 1 1 65 65 SER H H 65 7.894 7.894 8.610 -0.716 19954 13123 1 20 . 1 1 66 66 LEU N N 66 124.161 124.161 122.310 1.851 19954 13124 1 20 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.890 0.411 19954 13125 1 20 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.385 -4.330 19954 13126 1 20 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.808 -3.701 19954 13127 1 20 . 1 1 66 66 LEU H H 66 7.407 7.407 7.992 -0.585 19954 13128 1 20 . 1 1 67 67 TYR N N 67 121.466 121.466 117.370 4.096 19954 13129 1 20 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.217 0.327 19954 13130 1 20 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.943 -7.504 19954 13131 1 20 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.556 -3.375 19954 13132 1 20 . 1 1 67 67 TYR H H 67 8.001 8.001 7.577 0.424 19954 13133 1 20 . 1 1 68 68 ILE N N 68 121.357 121.357 120.538 0.819 19954 13134 1 20 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.580 -0.345 19954 13135 1 20 . 1 1 68 68 ILE CA C 68 64.382 64.382 65.694 -1.312 19954 13136 1 20 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.910 -1.830 19954 13137 1 20 . 1 1 68 68 ILE H H 68 7.811 7.811 7.709 0.102 19954 13138 1 20 . 1 1 69 69 ILE N N 69 117.955 117.955 119.603 -1.648 19954 13139 1 20 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.577 -0.228 19954 13140 1 20 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.854 -2.441 19954 13141 1 20 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.447 -1.528 19954 13142 1 20 . 1 1 69 69 ILE H H 69 6.886 6.886 8.525 -1.639 19954 13143 1 20 . 1 1 70 70 ASP N N 70 118.932 118.932 120.339 -1.407 19954 13144 1 20 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.349 0.047 19954 13145 1 20 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.079 -2.044 19954 13146 1 20 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.002 0.587 19954 13147 1 20 . 1 1 70 70 ASP H H 70 9.100 9.100 8.276 0.824 19954 13148 1 20 . 1 1 71 71 SER N N 71 110.354 110.354 116.314 -5.960 19954 13149 1 20 . 1 1 71 71 SER HA H 71 4.104 4.104 4.136 -0.032 19954 13150 1 20 . 1 1 71 71 SER CA C 71 58.746 58.746 61.759 -3.013 19954 13151 1 20 . 1 1 71 71 SER CB C 71 61.136 61.136 63.006 -1.870 19954 13152 1 20 . 1 1 71 71 SER H H 71 7.938 7.938 7.876 0.062 19954 13153 1 20 . 1 1 72 72 ILE N N 72 117.565 117.565 122.131 -4.566 19954 13154 1 20 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.498 -0.233 19954 13155 1 20 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.751 -1.102 19954 13156 1 20 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.081 -1.317 19954 13157 1 20 . 1 1 72 72 ILE H H 72 7.912 7.912 7.810 0.102 19954 13158 1 20 . 1 1 73 73 GLY N N 73 107.350 107.350 107.730 -0.380 19954 13159 1 20 . 1 1 73 73 GLY CA C 73 44.747 44.747 46.947 -2.200 19954 13160 1 20 . 1 1 73 73 GLY H H 73 8.847 8.847 8.507 0.340 19954 13161 1 20 . 1 1 74 74 ARG N N 74 118.068 118.068 122.425 -4.357 19954 13162 1 20 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.696 0.254 19954 13163 1 20 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.802 -0.630 19954 13164 1 20 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.044 -2.372 19954 13165 1 20 . 1 1 74 74 ARG H H 74 8.705 8.705 7.981 0.724 19954 13166 1 20 . 1 1 75 75 ALA N N 75 123.817 123.817 121.737 2.080 19954 13167 1 20 . 1 1 75 75 ALA HA H 75 4.216 4.216 3.965 0.251 19954 13168 1 20 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.331 -2.469 19954 13169 1 20 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.447 -3.046 19954 13170 1 20 . 1 1 75 75 ALA H H 75 7.673 7.673 7.846 -0.173 19954 13171 1 20 . 1 1 76 76 TYR N N 76 119.918 119.918 119.491 0.427 19954 13172 1 20 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.199 0.338 19954 13173 1 20 . 1 1 76 76 TYR CA C 76 55.093 55.093 59.602 -4.508 19954 13174 1 20 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.326 -3.523 19954 13175 1 20 . 1 1 76 76 TYR H H 76 8.659 8.659 8.495 0.164 19954 13176 1 20 . 1 1 77 77 LEU N N 77 123.387 123.387 120.082 3.305 19954 13177 1 20 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.754 0.060 19954 13178 1 20 . 1 1 77 77 LEU CA C 77 55.175 55.175 57.796 -2.621 19954 13179 1 20 . 1 1 77 77 LEU CB C 77 39.874 39.874 40.614 -0.740 19954 13180 1 20 . 1 1 77 77 LEU H H 77 8.756 8.756 8.527 0.229 19954 13181 1 20 . 1 1 78 78 ASP N N 78 120.181 120.181 118.433 1.748 19954 13182 1 20 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.212 0.083 19954 13183 1 20 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.692 -2.889 19954 13184 1 20 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.667 -2.844 19954 13185 1 20 . 1 1 78 78 ASP H H 78 7.891 7.891 7.998 -0.107 19954 13186 1 20 . 1 1 79 79 GLU N N 79 120.503 120.503 119.200 1.303 19954 13187 1 20 . 1 1 79 79 GLU HA H 79 4.018 4.018 4.017 0.001 19954 13188 1 20 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.060 -2.586 19954 13189 1 20 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.285 -2.082 19954 13190 1 20 . 1 1 79 79 GLU H H 79 7.502 7.502 8.316 -0.814 19954 13191 1 20 . 1 1 80 80 THR N N 80 111.013 111.013 115.444 -4.431 19954 13192 1 20 . 1 1 80 80 THR HA H 80 4.151 4.151 3.913 0.238 19954 13193 1 20 . 1 1 80 80 THR CA C 80 61.984 61.984 65.868 -3.884 19954 13194 1 20 . 1 1 80 80 THR CB C 80 67.420 67.420 68.599 -1.179 19954 13195 1 20 . 1 1 80 80 THR H H 80 7.883 7.883 7.989 -0.106 19954 13196 1 20 . 1 1 81 81 ARG N N 81 120.172 120.172 120.419 -0.247 19954 13197 1 20 . 1 1 81 81 ARG HA H 81 4.079 4.079 3.982 0.097 19954 13198 1 20 . 1 1 81 81 ARG CA C 81 55.137 55.137 59.007 -3.870 19954 13199 1 20 . 1 1 81 81 ARG H H 81 7.471 7.471 8.316 -0.845 19954 13200 1 20 . 1 1 82 82 SER N N 82 113.571 113.571 112.554 1.017 19954 13201 1 20 . 1 1 82 82 SER HA H 82 4.329 4.329 4.296 0.033 19954 13202 1 20 . 1 1 82 82 SER CA C 82 56.193 56.193 60.612 -4.419 19954 13203 1 20 . 1 1 82 82 SER CB C 82 72.312 72.312 63.382 8.931 19954 13204 1 20 . 1 1 82 82 SER H H 82 7.744 7.744 7.935 -0.191 19954 13205 1 20 . 1 1 83 83 ASN N N 83 119.990 119.990 116.544 3.446 19954 13206 1 20 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.849 -0.107 19954 13207 1 20 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.854 -3.691 19954 13208 1 20 . 1 1 83 83 ASN H H 83 7.792 7.792 8.033 -0.241 19954 13209 1 20 . 1 1 84 84 SER N N 84 116.799 116.799 112.739 4.060 19954 13210 1 20 . 1 1 84 84 SER HA H 84 4.291 4.291 4.632 -0.341 19954 13211 1 20 . 1 1 84 84 SER CA C 84 56.325 56.325 58.669 -2.345 19954 13212 1 20 . 1 1 84 84 SER H H 84 8.352 8.352 8.091 0.261 19954 13213 1 20 . 1 1 85 85 ASN N N 85 120.087 120.087 122.606 -2.519 19954 13214 1 20 . 1 1 85 85 ASN HA H 85 4.667 4.667 5.029 -0.362 19954 13215 1 20 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.402 -1.594 19954 13216 1 20 . 1 1 85 85 ASN H H 85 8.362 8.362 8.465 -0.103 19954 13217 1 20 . 1 1 86 86 SER N N 86 116.068 116.068 114.594 1.474 19954 13218 1 20 . 1 1 86 86 SER HA H 86 4.362 4.362 4.531 -0.169 19954 13219 1 20 . 1 1 86 86 SER CA C 86 55.853 55.853 58.308 -2.455 19954 13220 1 20 . 1 1 86 86 SER H H 86 8.102 8.102 8.317 -0.215 19954 13221 1 20 . 1 1 87 87 SER N N 87 117.615 117.615 117.980 -0.365 19954 13222 1 20 . 1 1 87 87 SER HA H 87 4.302 4.302 4.564 -0.262 19954 13223 1 20 . 1 1 87 87 SER CA C 87 55.608 55.608 57.613 -2.005 19954 13224 1 20 . 1 1 87 87 SER H H 87 8.269 8.269 8.576 -0.307 19954 13225 1 20 . 1 1 88 88 SER N N 88 122.455 122.455 118.683 3.772 19954 13226 1 20 . 1 1 88 88 SER CA C 88 53.710 53.710 57.898 -4.188 19954 13227 1 20 . 1 1 88 88 SER H H 88 8.377 8.377 7.660 0.717 19954 13228 1 20 . 1 1 89 89 ASN N N 89 115.430 115.430 125.024 -9.594 19954 13229 1 20 . 1 1 89 89 ASN CA C 89 58.900 58.900 54.194 4.707 19954 13230 1 20 . 1 1 89 89 ASN H H 89 8.141 8.141 8.499 -0.358 19954 13231 1 20 . 1 1 90 90 LYS N N 90 128.071 128.071 116.101 11.970 19954 13232 1 20 . 1 1 90 90 LYS CA C 90 55.381 55.381 56.202 -0.821 19954 13233 1 20 . 1 1 90 90 LYS H H 90 7.961 7.961 8.398 -0.437 19954 13234 1 20 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.111 -0.706 19954 13235 1 20 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.776 -2.155 19954 13236 1 20 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.617 -3.924 19954 13237 1 20 . 1 1 92 92 GLY N N 92 112.403 112.403 107.873 4.530 19954 13238 1 20 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.221 -2.916 19954 13239 1 20 . 1 1 92 92 GLY H H 92 10.139 10.139 8.756 1.383 19954 13240 1 20 . 1 1 93 93 THR N N 93 106.254 106.254 109.561 -3.307 19954 13241 1 20 . 1 1 93 93 THR HA H 93 4.527 4.527 5.059 -0.532 19954 13242 1 20 . 1 1 93 93 THR CA C 93 56.663 56.663 59.823 -3.160 19954 13243 1 20 . 1 1 93 93 THR CB C 93 70.927 70.927 71.799 -0.872 19954 13244 1 20 . 1 1 93 93 THR H H 93 7.180 7.180 7.402 -0.222 19954 13245 1 20 . 1 1 94 94 CYS N N 94 121.465 121.465 121.699 -0.234 19954 13246 1 20 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.863 -0.413 19954 13247 1 20 . 1 1 94 94 CYS CA C 94 60.867 60.867 63.733 -2.866 19954 13248 1 20 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.882 -1.636 19954 13249 1 20 . 1 1 94 94 CYS H H 94 8.777 8.777 8.647 0.130 19954 13250 1 20 . 1 1 95 95 ALA N N 95 119.619 119.619 123.174 -3.555 19954 13251 1 20 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.818 0.024 19954 13252 1 20 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.654 -2.909 19954 13253 1 20 . 1 1 95 95 ALA CB C 95 15.704 15.704 18.016 -2.312 19954 13254 1 20 . 1 1 95 95 ALA H H 95 8.392 8.392 8.311 0.081 19954 13255 1 20 . 1 1 96 96 HIS N N 96 118.081 118.081 119.258 -1.177 19954 13256 1 20 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.211 -0.005 19954 13257 1 20 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.599 -1.908 19954 13258 1 20 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.507 -2.423 19954 13259 1 20 . 1 1 96 96 HIS H H 96 7.631 7.631 8.433 -0.802 19954 13260 1 20 . 1 1 97 97 ALA N N 97 123.652 123.652 122.374 1.278 19954 13261 1 20 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.038 -0.097 19954 13262 1 20 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.550 -2.393 19954 13263 1 20 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.659 -0.995 19954 13264 1 20 . 1 1 97 97 ALA H H 97 7.347 7.347 7.756 -0.409 19954 13265 1 20 . 1 1 98 98 ILE N N 98 115.278 115.278 119.152 -3.874 19954 13266 1 20 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.519 0.004 19954 13267 1 20 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.903 -2.921 19954 13268 1 20 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.543 -1.876 19954 13269 1 20 . 1 1 98 98 ILE H H 98 7.916 7.916 8.584 -0.668 19954 13270 1 20 . 1 1 99 99 ASN N N 99 120.684 120.684 117.328 3.356 19954 13271 1 20 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.338 0.066 19954 13272 1 20 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.453 -2.314 19954 13273 1 20 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.290 -2.045 19954 13274 1 20 . 1 1 99 99 ASN H H 99 7.978 7.978 8.005 -0.027 19954 13275 1 20 . 1 1 100 100 THR N N 100 117.791 117.791 116.778 1.013 19954 13276 1 20 . 1 1 100 100 THR HA H 100 3.630 3.630 3.852 -0.222 19954 13277 1 20 . 1 1 100 100 THR CA C 100 63.899 63.899 66.247 -2.348 19954 13278 1 20 . 1 1 100 100 THR CB C 100 66.038 66.038 68.648 -2.610 19954 13279 1 20 . 1 1 100 100 THR H H 100 8.295 8.295 8.110 0.185 19954 13280 1 20 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.908 -0.190 19954 13281 1 20 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.507 -4.082 19954 13282 1 20 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.736 -0.548 19954 13283 1 20 . 1 1 101 101 LEU H H 101 7.825 7.825 8.436 -0.611 19954 13284 1 20 . 1 1 102 102 GLY N N 102 105.767 105.767 103.706 2.061 19954 13285 1 20 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.744 -1.403 19954 13286 1 20 . 1 1 102 102 GLY H H 102 8.591 8.591 8.312 0.279 19954 13287 1 20 . 1 1 103 103 GLU N N 103 116.366 116.366 119.409 -3.043 19954 13288 1 20 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.366 -0.299 19954 13289 1 20 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.323 -1.877 19954 13290 1 20 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.308 -2.931 19954 13291 1 20 . 1 1 103 103 GLU H H 103 7.471 7.471 7.833 -0.362 19954 13292 1 20 . 1 1 104 104 VAL N N 104 108.377 108.377 113.277 -4.900 19954 13293 1 20 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.345 0.411 19954 13294 1 20 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.917 -5.062 19954 13295 1 20 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.589 -2.711 19954 13296 1 20 . 1 1 104 104 VAL H H 104 7.016 7.016 7.837 -0.821 19954 13297 1 20 . 1 1 105 105 ILE N N 105 123.784 123.784 122.932 0.852 19954 13298 1 20 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.511 0.243 19954 13299 1 20 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.742 -6.342 19954 13300 1 20 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.608 -2.197 19954 13301 1 20 . 1 1 105 105 ILE H H 105 7.197 7.197 8.688 -1.491 19954 13302 1 20 . 1 1 106 106 GLN N N 106 121.117 121.117 118.638 2.479 19954 13303 1 20 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.771 -0.116 19954 13304 1 20 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.152 -0.818 19954 13305 1 20 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.217 -0.325 19954 13306 1 20 . 1 1 106 106 GLN H H 106 8.549 8.549 8.527 0.022 19954 13307 1 20 . 1 1 107 107 GLU N N 107 122.716 122.716 121.564 1.152 19954 13308 1 20 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.064 -0.227 19954 13309 1 20 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.587 -1.999 19954 13310 1 20 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.946 -2.412 19954 13311 1 20 . 1 1 107 107 GLU H H 107 7.762 7.762 8.110 -0.348 19954 13312 1 20 . 1 1 108 108 LEU N N 108 116.615 116.615 121.362 -4.747 19954 13313 1 20 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.921 0.058 19954 13314 1 20 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.934 -3.140 19954 13315 1 20 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.612 -3.115 19954 13316 1 20 . 1 1 108 108 LEU H H 108 8.016 8.016 7.612 0.404 19954 13317 1 20 . 1 1 109 109 LEU N N 109 118.708 118.708 118.840 -0.132 19954 13318 1 20 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.715 0.125 19954 13319 1 20 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.846 -3.120 19954 13320 1 20 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.522 -0.200 19954 13321 1 20 . 1 1 109 109 LEU H H 109 8.801 8.801 8.330 0.471 19954 13322 1 20 . 1 1 110 110 SER N N 110 114.083 114.083 114.250 -0.167 19954 13323 1 20 . 1 1 110 110 SER HA H 110 3.848 3.848 3.743 0.105 19954 13324 1 20 . 1 1 110 110 SER CA C 110 60.127 60.127 61.486 -1.359 19954 13325 1 20 . 1 1 110 110 SER CB C 110 60.300 60.300 62.420 -2.120 19954 13326 1 20 . 1 1 110 110 SER H H 110 8.161 8.161 7.958 0.203 19954 13327 1 20 . 1 1 111 111 ASP N N 111 120.151 120.151 123.076 -2.925 19954 13328 1 20 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.238 0.104 19954 13329 1 20 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.101 -2.334 19954 13330 1 20 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.240 -0.496 19954 13331 1 20 . 1 1 111 111 ASP H H 111 7.614 7.614 7.964 -0.350 19954 13332 1 20 . 1 1 112 112 ALA N N 112 116.927 116.927 122.522 -5.595 19954 13333 1 20 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.940 -0.351 19954 13334 1 20 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.300 -2.577 19954 13335 1 20 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.526 -0.879 19954 13336 1 20 . 1 1 112 112 ALA H H 112 7.662 7.662 7.937 -0.275 19954 13337 1 20 . 1 1 113 113 ILE N N 113 119.039 119.039 117.884 1.155 19954 13338 1 20 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.580 -0.353 19954 13339 1 20 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.716 -1.036 19954 13340 1 20 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.829 -1.670 19954 13341 1 20 . 1 1 113 113 ILE H H 113 8.681 8.681 8.162 0.519 19954 13342 1 20 . 1 1 114 114 ALA N N 114 120.055 120.055 120.715 -0.660 19954 13343 1 20 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.995 -0.088 19954 13344 1 20 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.366 -1.778 19954 13345 1 20 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.869 -2.738 19954 13346 1 20 . 1 1 114 114 ALA H H 114 7.716 7.716 8.066 -0.350 19954 13347 1 20 . 1 1 115 115 LYS N N 115 113.845 113.845 118.764 -4.919 19954 13348 1 20 . 1 1 115 115 LYS HA H 115 4.083 4.083 3.997 0.086 19954 13349 1 20 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.656 -3.701 19954 13350 1 20 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.379 -0.746 19954 13351 1 20 . 1 1 115 115 LYS H H 115 7.248 7.248 8.223 -0.975 19954 13352 1 20 . 1 1 116 116 SER N N 116 115.794 115.794 113.035 2.759 19954 13353 1 20 . 1 1 116 116 SER HA H 116 4.503 4.503 4.179 0.324 19954 13354 1 20 . 1 1 116 116 SER CA C 116 57.848 57.848 60.407 -2.559 19954 13355 1 20 . 1 1 116 116 SER CB C 116 63.380 63.380 63.922 -0.542 19954 13356 1 20 . 1 1 116 116 SER H H 116 7.124 7.124 8.179 -1.055 19954 13357 1 20 . 1 1 117 117 ASN N N 117 119.747 119.747 119.367 0.380 19954 13358 1 20 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.741 -0.219 19954 13359 1 20 . 1 1 117 117 ASN CA C 117 49.342 49.342 52.250 -2.908 19954 13360 1 20 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.322 -4.040 19954 13361 1 20 . 1 1 117 117 ASN H H 117 8.457 8.457 8.407 0.050 19954 13362 1 20 . 1 1 118 118 GLN N N 118 117.591 117.591 119.599 -2.008 19954 13363 1 20 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.928 -0.151 19954 13364 1 20 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.439 -3.255 19954 13365 1 20 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.413 3.128 19954 13366 1 20 . 1 1 118 118 GLN H H 118 8.418 8.418 8.721 -0.303 19954 13367 1 20 . 1 1 119 119 ASP N N 119 119.281 119.281 117.778 1.503 19954 13368 1 20 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.658 -0.368 19954 13369 1 20 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.366 -2.773 19954 13370 1 20 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.309 -1.406 19954 13371 1 20 . 1 1 119 119 ASP H H 119 7.973 7.973 8.627 -0.654 19954 13372 1 20 . 1 1 120 120 HIS N N 120 118.871 118.871 117.586 1.285 19954 13373 1 20 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.083 0.257 19954 13374 1 20 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.976 -3.218 19954 13375 1 20 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.640 -1.912 19954 13376 1 20 . 1 1 120 120 HIS H H 120 8.702 8.702 8.387 0.315 19954 13377 1 20 . 1 1 121 121 LYS N N 121 120.739 120.739 118.542 2.197 19954 13378 1 20 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.896 -0.128 19954 13379 1 20 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.793 -0.108 19954 13380 1 20 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.413 -0.489 19954 13381 1 20 . 1 1 121 121 LYS H H 121 8.990 8.990 8.808 0.182 19954 13382 1 20 . 1 1 122 122 GLU N N 122 117.889 117.889 119.586 -1.697 19954 13383 1 20 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.050 0.012 19954 13384 1 20 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.456 -3.351 19954 13385 1 20 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.136 -2.445 19954 13386 1 20 . 1 1 122 122 GLU H H 122 7.615 7.615 7.974 -0.359 19954 13387 1 20 . 1 1 123 123 LYS N N 123 119.139 119.139 119.079 0.060 19954 13388 1 20 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.129 -0.170 19954 13389 1 20 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.653 -2.051 19954 13390 1 20 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.933 -1.710 19954 13391 1 20 . 1 1 123 123 LYS H H 123 7.550 7.550 7.685 -0.135 19954 13392 1 20 . 1 1 124 124 ILE N N 124 123.103 123.103 119.926 3.177 19954 13393 1 20 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.451 -0.225 19954 13394 1 20 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.737 -2.053 19954 13395 1 20 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.506 -2.763 19954 13396 1 20 . 1 1 124 124 ILE H H 124 8.356 8.356 7.763 0.593 19954 13397 1 20 . 1 1 125 125 ARG N N 125 122.162 122.162 119.820 2.342 19954 13398 1 20 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.916 -0.810 19954 13399 1 20 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.519 -1.495 19954 13400 1 20 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.109 1.862 19954 13401 1 20 . 1 1 125 125 ARG H H 125 7.988 7.988 7.877 0.111 19954 13402 1 20 . 1 1 126 126 MET N N 126 115.215 115.215 118.986 -3.771 19954 13403 1 20 . 1 1 126 126 MET HA H 126 3.973 3.973 4.119 -0.146 19954 13404 1 20 . 1 1 126 126 MET CA C 126 55.896 55.896 58.900 -3.004 19954 13405 1 20 . 1 1 126 126 MET CB C 126 29.856 29.856 32.440 -2.583 19954 13406 1 20 . 1 1 126 126 MET H H 126 7.455 7.455 7.808 -0.353 19954 13407 1 20 . 1 1 127 127 LEU N N 127 122.351 122.351 120.706 1.645 19954 13408 1 20 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.761 -0.209 19954 13409 1 20 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.929 -3.142 19954 13410 1 20 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.290 -2.012 19954 13411 1 20 . 1 1 127 127 LEU H H 127 7.479 7.479 7.862 -0.383 19954 13412 1 20 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.256 0.627 19954 13413 1 20 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.283 -2.936 19954 13414 1 20 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.341 -2.532 19954 13415 1 20 . 1 1 128 128 LEU H H 128 7.841 7.841 7.682 0.159 19954 13416 1 20 . 1 1 129 129 ASP N N 129 116.915 116.915 119.887 -2.972 19954 13417 1 20 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.302 0.085 19954 13418 1 20 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.952 -5.353 19954 13419 1 20 . 1 1 129 129 ASP CB C 129 37.866 37.866 41.022 -3.156 19954 13420 1 20 . 1 1 129 129 ASP H H 129 7.034 7.034 7.698 -0.664 19954 13421 1 20 . 1 1 130 130 ILE N N 130 124.155 124.155 119.888 4.267 19954 13422 1 20 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.696 -0.053 19954 13423 1 20 . 1 1 130 130 ILE CA C 130 63.376 63.376 64.909 -1.533 19954 13424 1 20 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.710 -2.926 19954 13425 1 20 . 1 1 130 130 ILE H H 130 7.671 7.671 7.922 -0.251 19954 13426 1 20 . 1 1 131 131 TRP N N 131 125.421 125.421 120.534 4.887 19954 13427 1 20 . 1 1 131 131 TRP H H 131 8.831 8.831 7.904 0.927 19954 13428 1 20 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.871 2.568 19954 13429 1 20 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.363 0.120 19954 13430 1 20 . 1 1 143 143 ASN CA C 143 51.737 51.737 55.989 -4.252 19954 13431 1 20 . 1 1 144 144 ALA N N 144 121.013 121.013 124.246 -3.233 19954 13432 1 20 . 1 1 144 144 ALA HA H 144 4.104 4.104 4.011 0.093 19954 13433 1 20 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.674 -1.996 19954 13434 1 20 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.714 -3.338 19954 13435 1 20 . 1 1 144 144 ALA H H 144 8.212 8.212 8.150 0.062 19954 13436 1 20 . 1 1 145 145 ILE N N 145 117.646 117.646 115.736 1.910 19954 13437 1 20 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.585 0.243 19954 13438 1 20 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.798 -4.454 19954 13439 1 20 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.331 0.811 19954 13440 1 20 . 1 1 145 145 ILE H H 145 7.183 7.183 7.802 -0.619 19954 13441 1 20 . 1 1 146 146 ARG N N 146 121.150 121.150 121.139 0.011 19954 13442 1 20 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.983 -0.081 19954 13443 1 20 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.927 -0.462 19954 13444 1 20 . 1 1 146 146 ARG CB C 146 27.783 27.783 29.991 -2.208 19954 13445 1 20 . 1 1 146 146 ARG H H 146 8.477 8.477 7.639 0.838 19954 13446 1 20 . 1 1 147 147 SER N N 147 111.836 111.836 114.507 -2.671 19954 13447 1 20 . 1 1 147 147 SER HA H 147 4.162 4.162 4.522 -0.360 19954 13448 1 20 . 1 1 147 147 SER CA C 147 58.642 58.642 57.696 0.946 19954 13449 1 20 . 1 1 147 147 SER CB C 147 60.972 60.972 63.383 -2.411 19954 13450 1 20 . 1 1 147 147 SER H H 147 8.187 8.187 7.821 0.366 19954 13451 1 20 . 1 1 148 148 LYS N N 148 118.675 118.675 128.728 -10.053 19954 13452 1 20 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.725 0.413 19954 13453 1 20 . 1 1 148 148 LYS CA C 148 56.017 56.017 58.829 -2.812 19954 13454 1 20 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.597 0.183 19954 13455 1 20 . 1 1 148 148 LYS H H 148 7.837 7.837 8.843 -1.006 19954 13456 1 20 . 1 1 149 149 CYS N N 149 113.256 113.256 118.740 -5.484 19954 13457 1 20 . 1 1 149 149 CYS HA H 149 4.592 4.592 3.943 0.649 19954 13458 1 20 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.071 -10.059 19954 13459 1 20 . 1 1 149 149 CYS H H 149 8.267 8.267 7.556 0.711 19954 13460 1 20 . 1 1 150 150 PHE N N 150 116.623 116.623 120.854 -4.231 19954 13461 1 20 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.274 0.670 19954 13462 1 20 . 1 1 150 150 PHE CA C 150 54.409 54.409 60.548 -6.139 19954 13463 1 20 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.097 -0.044 19954 13464 1 20 . 1 1 150 150 PHE H H 150 7.373 7.373 8.113 -0.740 19954 13465 1 20 . 1 1 151 151 ALA N N 151 122.583 122.583 122.258 0.325 19954 13466 1 20 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.695 0.484 19954 13467 1 20 . 1 1 151 151 ALA CA C 151 50.641 50.641 54.458 -3.817 19954 13468 1 20 . 1 1 151 151 ALA CB C 151 15.939 15.939 17.602 -1.663 19954 13469 1 20 . 1 1 151 151 ALA H H 151 7.710 7.710 6.122 1.588 19954 13470 1 20 . 1 1 152 152 MET N N 152 118.250 118.250 115.106 3.144 19954 13471 1 20 . 1 1 152 152 MET HA H 152 4.262 4.262 3.954 0.308 19954 13472 1 20 . 1 1 152 152 MET CA C 152 53.482 53.482 57.905 -4.423 19954 13473 1 20 . 1 1 152 152 MET CB C 152 30.488 30.488 31.983 -1.495 19954 13474 1 20 . 1 1 152 152 MET H H 152 8.086 8.086 7.492 0.594 19954 13475 1 20 . 1 1 153 153 ASP N N 153 121.780 121.780 120.198 1.582 19954 13476 1 20 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.387 0.091 19954 13477 1 20 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.291 -4.665 19954 13478 1 20 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.122 -2.662 19954 13479 1 20 . 1 1 153 153 ASP H H 153 8.299 8.299 8.091 0.208 19954 13480 1 20 . 1 1 154 154 LEU N N 154 122.337 122.337 118.076 4.261 19954 13481 1 20 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.291 -0.183 19954 13482 1 20 . 1 1 154 154 LEU CA C 154 52.853 52.853 55.958 -3.105 19954 13483 1 20 . 1 1 154 154 LEU CB C 154 39.716 39.716 42.078 -2.362 19954 13484 1 20 . 1 1 154 154 LEU H H 154 8.072 8.072 7.965 0.107 19954 13485 1 20 . 1 1 155 155 GLU N N 155 119.995 119.995 119.385 0.610 19954 13486 1 20 . 1 1 155 155 GLU HA H 155 3.995 3.995 3.956 0.039 19954 13487 1 20 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.193 -2.894 19954 13488 1 20 . 1 1 155 155 GLU CB C 155 27.634 27.634 28.298 -0.664 19954 13489 1 20 . 1 1 155 155 GLU H H 155 8.151 8.151 7.607 0.544 19954 13490 1 20 . 1 1 156 156 HIS N N 156 118.980 118.980 123.506 -4.526 19954 13491 1 20 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.467 -0.247 19954 13492 1 20 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.973 -3.530 19954 13493 1 20 . 1 1 156 156 HIS H H 156 8.007 8.007 8.009 -0.002 19954 13494 1 20 . 1 1 157 157 HIS N N 157 121.956 121.956 121.912 0.044 19954 13495 1 20 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.886 -0.475 19954 13496 1 20 . 1 1 157 157 HIS CA C 157 53.252 53.252 55.625 -2.373 19954 13497 1 20 . 1 1 157 157 HIS H H 157 8.580 8.580 8.150 0.430 19954 13498 1 20 . 1 1 158 158 HIS N N 158 125.474 125.474 122.300 3.174 19954 13499 1 20 . 1 1 158 158 HIS CA C 158 54.628 54.628 54.909 -0.281 19954 13500 1 20 . 1 1 158 158 HIS H H 158 7.906 7.906 7.820 0.086 19954 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 138 3.007 0.034 3.018 19954 2 1 1 "Average Difference" HA 146 0.395 0.011 0.396 19954 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19954 4 1 1 "Average Difference" CA 143 3.156 2.676 1.679 19954 5 1 1 "Average Difference" CB 120 2.543 1.820 1.784 19954 6 1 1 "Average Difference" HN 140 0.623 0.125 0.612 19954 7 1 2 "Average Difference" N 138 3.137 0.013 3.149 19954 8 1 2 "Average Difference" HA 146 0.406 -0.005 0.407 19954 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19954 10 1 2 "Average Difference" CA 143 3.145 2.687 1.641 19954 11 1 2 "Average Difference" CB 120 2.558 1.888 1.733 19954 12 1 2 "Average Difference" HN 140 0.620 0.141 0.606 19954 13 1 3 "Average Difference" N 138 3.219 0.042 3.230 19954 14 1 3 "Average Difference" HA 146 0.380 0.012 0.381 19954 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19954 16 1 3 "Average Difference" CA 143 3.195 2.689 1.731 19954 17 1 3 "Average Difference" CB 120 2.554 1.894 1.720 19954 18 1 3 "Average Difference" HN 140 0.620 0.119 0.610 19954 19 1 4 "Average Difference" N 138 3.164 -0.095 3.174 19954 20 1 4 "Average Difference" HA 146 0.373 0.028 0.373 19954 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19954 22 1 4 "Average Difference" CA 143 3.219 2.696 1.766 19954 23 1 4 "Average Difference" CB 120 2.568 1.913 1.719 19954 24 1 4 "Average Difference" HN 140 0.615 0.140 0.601 19954 25 1 5 "Average Difference" N 138 3.177 0.031 3.188 19954 26 1 5 "Average Difference" HA 146 0.394 0.001 0.396 19954 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19954 28 1 5 "Average Difference" CA 143 3.143 2.638 1.713 19954 29 1 5 "Average Difference" CB 120 2.559 1.871 1.754 19954 30 1 5 "Average Difference" HN 140 0.619 0.116 0.610 19954 31 1 6 "Average Difference" N 138 3.374 -0.088 3.385 19954 32 1 6 "Average Difference" HA 146 0.367 0.027 0.367 19954 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19954 34 1 6 "Average Difference" CA 143 3.094 2.589 1.701 19954 35 1 6 "Average Difference" CB 120 2.557 1.902 1.716 19954 36 1 6 "Average Difference" HN 140 0.585 0.117 0.575 19954 37 1 7 "Average Difference" N 138 3.094 0.049 3.105 19954 38 1 7 "Average Difference" HA 146 0.387 -0.005 0.388 19954 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19954 40 1 7 "Average Difference" CA 143 3.162 2.598 1.808 19954 41 1 7 "Average Difference" CB 120 2.525 1.799 1.779 19954 42 1 7 "Average Difference" HN 140 0.588 0.108 0.580 19954 43 1 8 "Average Difference" N 138 3.185 0.033 3.196 19954 44 1 8 "Average Difference" HA 146 0.404 0.002 0.406 19954 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19954 46 1 8 "Average Difference" CA 143 3.198 2.742 1.652 19954 47 1 8 "Average Difference" CB 120 2.590 1.941 1.723 19954 48 1 8 "Average Difference" HN 140 0.603 0.137 0.589 19954 49 1 9 "Average Difference" N 138 3.092 0.010 3.103 19954 50 1 9 "Average Difference" HA 146 0.389 0.019 0.390 19954 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19954 52 1 9 "Average Difference" CA 143 3.161 2.665 1.706 19954 53 1 9 "Average Difference" CB 120 2.546 1.889 1.714 19954 54 1 9 "Average Difference" HN 140 0.599 0.125 0.588 19954 55 1 10 "Average Difference" N 138 3.071 0.009 3.082 19954 56 1 10 "Average Difference" HA 146 0.363 0.015 0.363 19954 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19954 58 1 10 "Average Difference" CA 143 3.186 2.707 1.686 19954 59 1 10 "Average Difference" CB 120 2.508 1.812 1.741 19954 60 1 10 "Average Difference" HN 140 0.593 0.117 0.583 19954 61 1 11 "Average Difference" N 138 3.004 0.176 3.009 19954 62 1 11 "Average Difference" HA 146 0.407 -0.011 0.408 19954 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19954 64 1 11 "Average Difference" CA 143 3.194 2.730 1.664 19954 65 1 11 "Average Difference" CB 120 2.518 1.808 1.760 19954 66 1 11 "Average Difference" HN 140 0.579 0.137 0.564 19954 67 1 12 "Average Difference" N 138 3.101 0.005 3.112 19954 68 1 12 "Average Difference" HA 146 0.365 0.010 0.366 19954 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19954 70 1 12 "Average Difference" CA 143 3.180 2.663 1.744 19954 71 1 12 "Average Difference" CB 120 2.557 1.839 1.784 19954 72 1 12 "Average Difference" HN 140 0.616 0.115 0.608 19954 73 1 13 "Average Difference" N 138 3.217 0.055 3.228 19954 74 1 13 "Average Difference" HA 146 0.406 -0.011 0.407 19954 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19954 76 1 13 "Average Difference" CA 143 3.203 2.683 1.757 19954 77 1 13 "Average Difference" CB 120 2.530 1.789 1.797 19954 78 1 13 "Average Difference" HN 140 0.626 0.115 0.617 19954 79 1 14 "Average Difference" N 138 3.113 0.012 3.124 19954 80 1 14 "Average Difference" HA 146 0.385 0.023 0.385 19954 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19954 82 1 14 "Average Difference" CA 143 3.120 2.650 1.654 19954 83 1 14 "Average Difference" CB 120 2.557 1.879 1.741 19954 84 1 14 "Average Difference" HN 140 0.575 0.118 0.565 19954 85 1 15 "Average Difference" N 138 3.083 0.059 3.093 19954 86 1 15 "Average Difference" HA 146 0.355 -0.004 0.357 19954 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19954 88 1 15 "Average Difference" CA 143 3.169 2.676 1.704 19954 89 1 15 "Average Difference" CB 120 2.518 1.788 1.780 19954 90 1 15 "Average Difference" HN 140 0.616 0.107 0.609 19954 91 1 16 "Average Difference" N 138 3.122 0.176 3.129 19954 92 1 16 "Average Difference" HA 146 0.361 -0.006 0.362 19954 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19954 94 1 16 "Average Difference" CA 143 3.091 2.619 1.648 19954 95 1 16 "Average Difference" CB 120 2.552 1.805 1.811 19954 96 1 16 "Average Difference" HN 140 0.658 0.110 0.651 19954 97 1 17 "Average Difference" N 138 3.278 -0.117 3.288 19954 98 1 17 "Average Difference" HA 146 0.354 0.023 0.354 19954 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19954 100 1 17 "Average Difference" CA 143 3.145 2.675 1.660 19954 101 1 17 "Average Difference" CB 120 2.492 1.841 1.686 19954 102 1 17 "Average Difference" HN 140 0.615 0.106 0.608 19954 103 1 18 "Average Difference" N 138 3.022 0.107 3.032 19954 104 1 18 "Average Difference" HA 146 0.355 0.016 0.356 19954 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19954 106 1 18 "Average Difference" CA 143 3.145 2.602 1.773 19954 107 1 18 "Average Difference" CB 120 2.511 1.870 1.684 19954 108 1 18 "Average Difference" HN 140 0.628 0.152 0.612 19954 109 1 19 "Average Difference" N 138 3.247 -0.065 3.258 19954 110 1 19 "Average Difference" HA 146 0.383 0.002 0.385 19954 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19954 112 1 19 "Average Difference" CA 143 3.211 2.696 1.749 19954 113 1 19 "Average Difference" CB 120 2.527 1.800 1.781 19954 114 1 19 "Average Difference" HN 140 0.598 0.118 0.588 19954 115 1 20 "Average Difference" N 138 3.250 0.103 3.260 19954 116 1 20 "Average Difference" HA 146 0.342 0.007 0.343 19954 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19954 118 1 20 "Average Difference" CA 143 3.084 2.631 1.616 19954 119 1 20 "Average Difference" CB 120 2.529 1.866 1.713 19954 120 1 20 "Average Difference" HN 140 0.623 0.087 0.619 19954 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 19954 _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 4 4 ASP HA H 4 4.315 4.315 4.584 -0.269 19954 2 1 . 1 1 4 4 ASP CA C 4 51.714 51.714 55.186 -3.472 19954 3 1 . 1 1 5 5 ASP N N 5 120.880 120.880 119.088 1.792 19954 4 1 . 1 1 5 5 ASP HA H 5 4.454 4.454 4.743 -0.289 19954 5 1 . 1 1 5 5 ASP CA C 5 52.575 52.575 54.068 -1.493 19954 6 1 . 1 1 5 5 ASP CB C 5 38.724 38.724 41.353 -2.629 19954 7 1 . 1 1 5 5 ASP H H 5 8.277 8.277 8.243 0.034 19954 8 1 . 1 1 6 6 ASP N N 6 120.876 120.876 119.541 1.335 19954 9 1 . 1 1 6 6 ASP HA H 6 4.482 4.482 4.839 -0.357 19954 10 1 . 1 1 6 6 ASP CA C 6 52.962 52.962 53.615 -0.653 19954 11 1 . 1 1 6 6 ASP CB C 6 38.558 38.558 42.507 -3.949 19954 12 1 . 1 1 6 6 ASP H H 6 8.497 8.497 7.870 0.627 19954 13 1 . 1 1 7 7 PHE N N 7 122.789 122.789 120.200 2.589 19954 14 1 . 1 1 7 7 PHE HA H 7 4.109 4.109 4.307 -0.198 19954 15 1 . 1 1 7 7 PHE CA C 7 58.870 58.870 60.993 -2.122 19954 16 1 . 1 1 7 7 PHE CB C 7 36.667 36.667 39.447 -2.780 19954 17 1 . 1 1 7 7 PHE H H 7 8.337 8.337 8.812 -0.475 19954 18 1 . 1 1 8 8 GLN N N 8 116.255 116.255 119.390 -3.135 19954 19 1 . 1 1 8 8 GLN HA H 8 3.749 3.749 3.835 -0.086 19954 20 1 . 1 1 8 8 GLN CA C 8 55.726 55.726 59.734 -4.008 19954 21 1 . 1 1 8 8 GLN CB C 8 24.788 24.788 28.106 -3.318 19954 22 1 . 1 1 8 8 GLN H H 8 8.488 8.488 8.671 -0.183 19954 23 1 . 1 1 9 9 ASN N N 9 118.242 118.242 118.203 0.039 19954 24 1 . 1 1 9 9 ASN HA H 9 4.314 4.314 4.318 -0.004 19954 25 1 . 1 1 9 9 ASN CA C 9 53.575 53.575 56.254 -2.679 19954 26 1 . 1 1 9 9 ASN CB C 9 36.253 36.253 38.262 -2.009 19954 27 1 . 1 1 9 9 ASN H H 9 7.801 7.801 7.791 0.010 19954 28 1 . 1 1 10 10 PHE N N 10 124.982 124.982 121.211 3.771 19954 29 1 . 1 1 10 10 PHE HA H 10 3.454 3.454 3.699 -0.245 19954 30 1 . 1 1 10 10 PHE CA C 10 58.994 58.994 61.029 -2.035 19954 31 1 . 1 1 10 10 PHE CB C 10 35.035 35.035 38.191 -3.155 19954 32 1 . 1 1 10 10 PHE H H 10 6.924 6.924 6.983 -0.059 19954 33 1 . 1 1 11 11 VAL N N 11 118.513 118.513 118.650 -0.137 19954 34 1 . 1 1 11 11 VAL HA H 11 2.834 2.834 3.063 -0.229 19954 35 1 . 1 1 11 11 VAL CA C 11 64.231 64.231 66.444 -2.213 19954 36 1 . 1 1 11 11 VAL CB C 11 30.078 30.078 31.152 -1.074 19954 37 1 . 1 1 11 11 VAL H H 11 7.448 7.448 7.832 -0.384 19954 38 1 . 1 1 12 12 ALA N N 12 119.214 119.214 121.121 -1.907 19954 39 1 . 1 1 12 12 ALA HA H 12 3.884 3.884 3.818 0.066 19954 40 1 . 1 1 12 12 ALA CA C 12 52.426 52.426 55.630 -3.204 19954 41 1 . 1 1 12 12 ALA CB C 12 15.649 15.649 17.968 -2.319 19954 42 1 . 1 1 12 12 ALA H H 12 8.028 8.028 8.446 -0.418 19954 43 1 . 1 1 13 13 THR N N 13 116.435 116.435 116.080 0.355 19954 44 1 . 1 1 13 13 THR HA H 13 3.624 3.624 3.820 -0.196 19954 45 1 . 1 1 13 13 THR CA C 13 64.041 64.041 66.421 -2.380 19954 46 1 . 1 1 13 13 THR CB C 13 65.118 65.118 68.422 -3.304 19954 47 1 . 1 1 13 13 THR H H 13 7.638 7.638 7.761 -0.123 19954 48 1 . 1 1 14 14 LEU N N 14 126.284 126.284 121.874 4.410 19954 49 1 . 1 1 14 14 LEU HA H 14 3.630 3.630 3.601 0.029 19954 50 1 . 1 1 14 14 LEU CA C 14 55.487 55.487 57.929 -2.442 19954 51 1 . 1 1 14 14 LEU CB C 14 38.852 38.852 41.218 -2.366 19954 52 1 . 1 1 14 14 LEU H H 14 7.975 7.975 7.478 0.497 19954 53 1 . 1 1 15 15 GLU N N 15 116.145 116.145 118.329 -2.184 19954 54 1 . 1 1 15 15 GLU HA H 15 3.817 3.817 3.868 -0.051 19954 55 1 . 1 1 15 15 GLU CA C 15 56.394 56.394 59.780 -3.386 19954 56 1 . 1 1 15 15 GLU CB C 15 26.908 26.908 29.043 -2.135 19954 57 1 . 1 1 15 15 GLU H H 15 8.503 8.503 8.484 0.019 19954 58 1 . 1 1 16 16 SER N N 16 114.452 114.452 114.475 -0.023 19954 59 1 . 1 1 16 16 SER HA H 16 4.196 4.196 4.198 -0.002 19954 60 1 . 1 1 16 16 SER CA C 16 58.515 58.515 61.057 -2.541 19954 61 1 . 1 1 16 16 SER CB C 16 60.155 60.155 62.917 -2.762 19954 62 1 . 1 1 16 16 SER H H 16 7.643 7.643 8.027 -0.384 19954 63 1 . 1 1 17 17 PHE N N 17 124.020 124.020 122.010 2.010 19954 64 1 . 1 1 17 17 PHE HA H 17 3.824 3.824 4.126 -0.302 19954 65 1 . 1 1 17 17 PHE CA C 17 59.335 59.335 60.916 -1.581 19954 66 1 . 1 1 17 17 PHE CB C 17 36.854 36.854 38.891 -2.037 19954 67 1 . 1 1 17 17 PHE H H 17 8.082 8.082 7.949 0.133 19954 68 1 . 1 1 18 18 LYS N N 18 116.570 116.570 118.095 -1.525 19954 69 1 . 1 1 18 18 LYS HA H 18 3.947 3.947 4.061 -0.114 19954 70 1 . 1 1 18 18 LYS CA C 18 56.855 56.855 58.947 -2.092 19954 71 1 . 1 1 18 18 LYS CB C 18 29.452 29.452 31.798 -2.346 19954 72 1 . 1 1 18 18 LYS H H 18 7.849 7.849 7.866 -0.017 19954 73 1 . 1 1 19 19 ASP N N 19 116.332 116.332 119.442 -3.110 19954 74 1 . 1 1 19 19 ASP HA H 19 4.539 4.539 4.476 0.063 19954 75 1 . 1 1 19 19 ASP CA C 19 52.157 52.157 55.837 -3.680 19954 76 1 . 1 1 19 19 ASP CB C 19 38.703 38.703 41.382 -2.679 19954 77 1 . 1 1 19 19 ASP H H 19 7.276 7.276 7.704 -0.428 19954 78 1 . 1 1 20 20 LEU N N 20 119.769 119.769 119.297 0.472 19954 79 1 . 1 1 20 20 LEU HA H 20 4.399 4.399 4.232 0.168 19954 80 1 . 1 1 20 20 LEU CA C 20 50.999 50.999 55.306 -4.307 19954 81 1 . 1 1 20 20 LEU H H 20 7.226 7.226 7.573 -0.347 19954 82 1 . 1 1 21 21 LYS N N 21 126.041 126.041 120.045 5.996 19954 83 1 . 1 1 21 21 LYS HA H 21 4.063 4.063 4.347 -0.284 19954 84 1 . 1 1 21 21 LYS CA C 21 56.849 56.849 56.843 0.006 19954 85 1 . 1 1 21 21 LYS CB C 21 31.634 31.634 31.504 0.130 19954 86 1 . 1 1 21 21 LYS H H 21 9.203 9.203 8.506 0.697 19954 87 1 . 1 1 22 22 SER N N 22 109.885 109.885 113.845 -3.960 19954 88 1 . 1 1 22 22 SER HA H 22 4.322 4.322 4.318 0.004 19954 89 1 . 1 1 22 22 SER CA C 22 55.254 55.254 58.692 -3.438 19954 90 1 . 1 1 22 22 SER CB C 22 62.254 62.254 63.214 -0.960 19954 91 1 . 1 1 22 22 SER H H 22 8.607 8.607 8.106 0.501 19954 92 1 . 1 1 23 23 GLY N N 23 106.286 106.286 108.614 -2.328 19954 93 1 . 1 1 23 23 GLY CA C 23 43.980 43.980 44.943 -0.963 19954 94 1 . 1 1 23 23 GLY H H 23 6.619 6.619 8.334 -1.715 19954 95 1 . 1 1 24 24 ILE N N 24 118.883 118.883 118.739 0.144 19954 96 1 . 1 1 24 24 ILE HA H 24 3.984 3.984 3.910 0.074 19954 97 1 . 1 1 24 24 ILE CA C 24 59.167 59.167 60.590 -1.423 19954 98 1 . 1 1 24 24 ILE CB C 24 39.646 39.646 39.537 0.108 19954 99 1 . 1 1 24 24 ILE H H 24 7.929 7.929 7.701 0.228 19954 100 1 . 1 1 25 25 SER N N 25 117.952 117.952 119.671 -1.719 19954 101 1 . 1 1 25 25 SER HA H 25 5.093 5.093 4.627 0.466 19954 102 1 . 1 1 25 25 SER CA C 25 52.534 52.534 57.548 -5.014 19954 103 1 . 1 1 25 25 SER CB C 25 61.938 61.938 64.884 -2.946 19954 104 1 . 1 1 25 25 SER H H 25 5.660 5.660 8.311 -2.651 19954 105 1 . 1 1 26 26 GLY N N 26 120.266 120.266 114.111 6.155 19954 106 1 . 1 1 26 26 GLY CA C 26 45.487 45.487 47.323 -1.836 19954 107 1 . 1 1 26 26 GLY H H 26 8.596 8.596 8.959 -0.363 19954 108 1 . 1 1 27 27 SER N N 27 120.500 120.500 116.795 3.705 19954 109 1 . 1 1 27 27 SER HA H 27 4.410 4.410 4.127 0.283 19954 110 1 . 1 1 27 27 SER CA C 27 58.793 58.793 61.663 -2.870 19954 111 1 . 1 1 27 27 SER CB C 27 62.224 62.224 62.940 -0.716 19954 112 1 . 1 1 27 27 SER H H 27 9.846 9.846 8.323 1.523 19954 113 1 . 1 1 28 28 ARG N N 28 123.779 123.779 120.571 3.208 19954 114 1 . 1 1 28 28 ARG HA H 28 3.885 3.885 3.922 -0.037 19954 115 1 . 1 1 28 28 ARG CA C 28 56.840 56.840 59.089 -2.249 19954 116 1 . 1 1 28 28 ARG CB C 28 28.114 28.114 29.464 -1.350 19954 117 1 . 1 1 28 28 ARG H H 28 8.034 8.034 7.781 0.253 19954 118 1 . 1 1 29 29 ILE N N 29 120.700 120.700 120.067 0.633 19954 119 1 . 1 1 29 29 ILE HA H 29 3.472 3.472 3.450 0.022 19954 120 1 . 1 1 29 29 ILE CA C 29 64.629 64.629 65.235 -0.606 19954 121 1 . 1 1 29 29 ILE CB C 29 35.668 35.668 37.363 -1.695 19954 122 1 . 1 1 29 29 ILE H H 29 8.374 8.374 7.655 0.719 19954 123 1 . 1 1 30 30 LYS N N 30 124.209 124.209 120.297 3.912 19954 124 1 . 1 1 30 30 LYS HA H 30 4.028 4.028 3.902 0.126 19954 125 1 . 1 1 30 30 LYS CA C 30 57.401 57.401 60.071 -2.670 19954 126 1 . 1 1 30 30 LYS CB C 30 29.280 29.280 32.147 -2.866 19954 127 1 . 1 1 30 30 LYS H H 30 8.231 8.231 8.188 0.043 19954 128 1 . 1 1 31 31 LYS N N 31 120.422 120.422 119.446 0.976 19954 129 1 . 1 1 31 31 LYS HA H 31 4.038 4.038 4.048 -0.010 19954 130 1 . 1 1 31 31 LYS CA C 31 57.618 57.618 59.238 -1.620 19954 131 1 . 1 1 31 31 LYS CB C 31 30.169 30.169 32.043 -1.874 19954 132 1 . 1 1 31 31 LYS H H 31 7.449 7.449 7.796 -0.347 19954 133 1 . 1 1 32 32 LEU N N 32 118.348 118.348 119.404 -1.056 19954 134 1 . 1 1 32 32 LEU HA H 32 4.061 4.061 4.128 -0.067 19954 135 1 . 1 1 32 32 LEU CA C 32 55.410 55.410 58.695 -3.285 19954 136 1 . 1 1 32 32 LEU CB C 32 39.782 39.782 41.397 -1.615 19954 137 1 . 1 1 32 32 LEU H H 32 8.186 8.186 8.057 0.129 19954 138 1 . 1 1 33 33 THR N N 33 116.500 116.500 115.430 1.070 19954 139 1 . 1 1 33 33 THR HA H 33 3.662 3.662 3.952 -0.290 19954 140 1 . 1 1 33 33 THR CA C 33 64.726 64.726 67.396 -2.670 19954 141 1 . 1 1 33 33 THR CB C 33 66.097 66.097 68.193 -2.096 19954 142 1 . 1 1 33 33 THR H H 33 8.066 8.066 8.489 -0.423 19954 143 1 . 1 1 34 34 THR N N 34 119.029 119.029 118.014 1.015 19954 144 1 . 1 1 34 34 THR HA H 34 3.759 3.759 3.906 -0.147 19954 145 1 . 1 1 34 34 THR CA C 34 64.291 64.291 66.384 -2.093 19954 146 1 . 1 1 34 34 THR CB C 34 66.733 66.733 68.908 -2.175 19954 147 1 . 1 1 34 34 THR H H 34 8.685 8.685 8.048 0.637 19954 148 1 . 1 1 35 35 TYR N N 35 120.298 120.298 122.518 -2.220 19954 149 1 . 1 1 35 35 TYR HA H 35 4.202 4.202 4.051 0.151 19954 150 1 . 1 1 35 35 TYR CA C 35 60.154 60.154 61.759 -1.605 19954 151 1 . 1 1 35 35 TYR CB C 35 36.010 36.010 38.190 -2.181 19954 152 1 . 1 1 35 35 TYR H H 35 7.663 7.663 8.238 -0.575 19954 153 1 . 1 1 36 36 ALA N N 36 121.480 121.480 122.010 -0.530 19954 154 1 . 1 1 36 36 ALA HA H 36 3.912 3.912 3.945 -0.033 19954 155 1 . 1 1 36 36 ALA CA C 36 53.136 53.136 55.018 -1.882 19954 156 1 . 1 1 36 36 ALA CB C 36 14.873 14.873 18.452 -3.580 19954 157 1 . 1 1 36 36 ALA H H 36 8.543 8.543 8.467 0.076 19954 158 1 . 1 1 37 37 LEU N N 37 120.767 120.767 118.782 1.985 19954 159 1 . 1 1 37 37 LEU HA H 37 4.103 4.103 3.946 0.157 19954 160 1 . 1 1 37 37 LEU CA C 37 54.840 54.840 58.280 -3.440 19954 161 1 . 1 1 37 37 LEU CB C 37 40.182 40.182 41.661 -1.479 19954 162 1 . 1 1 37 37 LEU H H 37 8.351 8.351 8.136 0.215 19954 163 1 . 1 1 38 38 ASP N N 38 119.008 119.008 117.451 1.557 19954 164 1 . 1 1 38 38 ASP HA H 38 4.456 4.456 4.244 0.212 19954 165 1 . 1 1 38 38 ASP CA C 38 52.140 52.140 56.153 -4.013 19954 166 1 . 1 1 38 38 ASP CB C 38 38.899 38.899 41.104 -2.205 19954 167 1 . 1 1 38 38 ASP H H 38 7.557 7.557 8.041 -0.484 19954 168 1 . 1 1 39 39 HIS N N 39 118.142 118.142 117.552 0.590 19954 169 1 . 1 1 39 39 HIS HA H 39 4.625 4.625 4.670 -0.045 19954 170 1 . 1 1 39 39 HIS CA C 39 52.146 52.146 54.333 -2.187 19954 171 1 . 1 1 39 39 HIS CB C 39 25.506 25.506 29.599 -4.093 19954 172 1 . 1 1 39 39 HIS H H 39 7.094 7.094 7.708 -0.614 19954 173 1 . 1 1 40 40 ILE N N 40 121.885 121.885 123.146 -1.261 19954 174 1 . 1 1 40 40 ILE HA H 40 3.426 3.426 3.937 -0.511 19954 175 1 . 1 1 40 40 ILE CA C 40 62.593 62.593 61.250 1.343 19954 176 1 . 1 1 40 40 ILE CB C 40 36.173 36.173 37.217 -1.044 19954 177 1 . 1 1 40 40 ILE H H 40 7.630 7.630 8.302 -0.672 19954 178 1 . 1 1 41 41 ASP N N 41 114.814 114.814 118.469 -3.655 19954 179 1 . 1 1 41 41 ASP HA H 41 4.186 4.186 4.597 -0.411 19954 180 1 . 1 1 41 41 ASP CA C 41 54.016 54.016 54.133 -0.117 19954 181 1 . 1 1 41 41 ASP CB C 41 36.836 36.836 40.485 -3.649 19954 182 1 . 1 1 41 41 ASP H H 41 8.433 8.433 8.538 -0.105 19954 183 1 . 1 1 42 42 ILE N N 42 113.793 113.793 112.584 1.209 19954 184 1 . 1 1 42 42 ILE HA H 42 4.712 4.712 4.545 0.167 19954 185 1 . 1 1 42 42 ILE CA C 42 58.241 58.241 60.328 -2.087 19954 186 1 . 1 1 42 42 ILE CB C 42 34.896 34.896 38.297 -3.401 19954 187 1 . 1 1 42 42 ILE H H 42 7.447 7.447 7.216 0.231 19954 188 1 . 1 1 43 43 GLU N N 43 120.845 120.845 122.885 -2.040 19954 189 1 . 1 1 43 43 GLU HA H 43 4.046 4.046 4.119 -0.073 19954 190 1 . 1 1 43 43 GLU CA C 43 56.768 56.768 59.634 -2.866 19954 191 1 . 1 1 43 43 GLU CB C 43 24.017 24.017 28.677 -4.660 19954 192 1 . 1 1 43 43 GLU H H 43 8.195 8.195 8.012 0.183 19954 193 1 . 1 1 44 44 SER N N 44 113.781 113.781 116.124 -2.343 19954 194 1 . 1 1 44 44 SER HA H 44 3.944 3.944 4.123 -0.179 19954 195 1 . 1 1 44 44 SER CA C 44 59.590 59.590 62.010 -2.420 19954 196 1 . 1 1 44 44 SER CB C 44 59.878 59.878 62.809 -2.932 19954 197 1 . 1 1 44 44 SER H H 44 8.728 8.728 8.566 0.162 19954 198 1 . 1 1 45 45 LYS N N 45 121.258 121.258 120.621 0.637 19954 199 1 . 1 1 45 45 LYS HA H 45 4.079 4.079 4.042 0.037 19954 200 1 . 1 1 45 45 LYS CA C 45 56.190 56.190 58.915 -2.726 19954 201 1 . 1 1 45 45 LYS CB C 45 30.477 30.477 31.446 -0.969 19954 202 1 . 1 1 45 45 LYS H H 45 7.329 7.329 8.310 -0.981 19954 203 1 . 1 1 46 46 ILE N N 46 121.022 121.022 121.670 -0.649 19954 204 1 . 1 1 46 46 ILE HA H 46 3.363 3.363 3.776 -0.413 19954 205 1 . 1 1 46 46 ILE CA C 46 63.257 63.257 65.058 -1.801 19954 206 1 . 1 1 46 46 ILE CB C 46 36.892 36.892 37.670 -0.778 19954 207 1 . 1 1 46 46 ILE H H 46 7.360 7.360 7.977 -0.617 19954 208 1 . 1 1 47 47 ILE N N 47 118.543 118.543 119.394 -0.851 19954 209 1 . 1 1 47 47 ILE HA H 47 3.739 3.739 3.631 0.108 19954 210 1 . 1 1 47 47 ILE CA C 47 58.657 58.657 64.214 -5.557 19954 211 1 . 1 1 47 47 ILE CB C 47 32.128 32.128 36.408 -4.280 19954 212 1 . 1 1 47 47 ILE H H 47 9.378 9.378 8.206 1.172 19954 213 1 . 1 1 48 48 SER N N 48 113.001 113.001 115.483 -2.482 19954 214 1 . 1 1 48 48 SER HA H 48 4.016 4.016 4.180 -0.164 19954 215 1 . 1 1 48 48 SER CA C 48 59.574 59.574 62.025 -2.451 19954 216 1 . 1 1 48 48 SER CB C 48 60.341 60.341 63.057 -2.716 19954 217 1 . 1 1 48 48 SER H H 48 7.382 7.382 8.611 -1.229 19954 218 1 . 1 1 49 49 LEU N N 49 120.059 120.059 123.253 -3.194 19954 219 1 . 1 1 49 49 LEU HA H 49 4.170 4.170 4.169 0.001 19954 220 1 . 1 1 49 49 LEU CA C 49 55.666 55.666 58.408 -2.742 19954 221 1 . 1 1 49 49 LEU CB C 49 39.750 39.750 42.071 -2.321 19954 222 1 . 1 1 49 49 LEU H H 49 7.477 7.477 8.289 -0.812 19954 223 1 . 1 1 50 50 ILE N N 50 115.429 115.429 117.566 -2.137 19954 224 1 . 1 1 50 50 ILE HA H 50 4.093 4.093 3.523 0.570 19954 225 1 . 1 1 50 50 ILE CA C 50 62.804 62.804 65.005 -2.201 19954 226 1 . 1 1 50 50 ILE H H 50 8.081 8.081 7.855 0.226 19954 227 1 . 1 1 51 51 ILE N N 51 125.106 125.106 121.923 3.183 19954 228 1 . 1 1 51 51 ILE HA H 51 3.455 3.455 3.575 -0.120 19954 229 1 . 1 1 51 51 ILE CA C 51 64.148 64.148 66.079 -1.931 19954 230 1 . 1 1 51 51 ILE CB C 51 35.719 35.719 37.693 -1.974 19954 231 1 . 1 1 51 51 ILE H H 51 8.194 8.194 8.132 0.062 19954 232 1 . 1 1 52 52 ASP N N 52 119.519 119.519 119.584 -0.065 19954 233 1 . 1 1 52 52 ASP HA H 52 4.244 4.244 4.308 -0.064 19954 234 1 . 1 1 52 52 ASP CA C 52 54.984 54.984 57.992 -3.009 19954 235 1 . 1 1 52 52 ASP CB C 52 37.865 37.865 41.000 -3.135 19954 236 1 . 1 1 52 52 ASP H H 52 7.850 7.850 8.289 -0.439 19954 237 1 . 1 1 53 53 TYR N N 53 118.402 118.402 120.269 -1.867 19954 238 1 . 1 1 53 53 TYR HA H 53 3.892 3.892 4.096 -0.204 19954 239 1 . 1 1 53 53 TYR CA C 53 59.745 59.745 61.231 -1.486 19954 240 1 . 1 1 53 53 TYR CB C 53 35.864 35.864 38.465 -2.601 19954 241 1 . 1 1 53 53 TYR H H 53 8.260 8.260 8.740 -0.480 19954 242 1 . 1 1 54 54 SER N N 54 111.626 111.626 116.208 -4.582 19954 243 1 . 1 1 54 54 SER HA H 54 4.058 4.058 4.116 -0.058 19954 244 1 . 1 1 54 54 SER CA C 54 58.733 58.733 61.138 -2.405 19954 245 1 . 1 1 54 54 SER CB C 54 62.430 62.430 63.547 -1.117 19954 246 1 . 1 1 54 54 SER H H 54 7.316 7.316 8.050 -0.734 19954 247 1 . 1 1 55 55 ARG N N 55 114.937 114.937 121.413 -6.476 19954 248 1 . 1 1 55 55 ARG HA H 55 4.172 4.172 3.806 0.366 19954 249 1 . 1 1 55 55 ARG CA C 55 56.273 56.273 57.888 -1.615 19954 250 1 . 1 1 55 55 ARG CB C 55 28.250 28.250 29.422 -1.172 19954 251 1 . 1 1 55 55 ARG H H 55 7.901 7.901 7.591 0.310 19954 252 1 . 1 1 56 56 LEU N N 56 116.307 116.307 119.503 -3.196 19954 253 1 . 1 1 56 56 LEU HA H 56 4.203 4.203 3.992 0.211 19954 254 1 . 1 1 56 56 LEU CA C 56 52.800 52.800 56.949 -4.149 19954 255 1 . 1 1 56 56 LEU CB C 56 40.868 40.868 42.081 -1.213 19954 256 1 . 1 1 56 56 LEU H H 56 7.802 7.802 7.850 -0.048 19954 257 1 . 1 1 57 57 CYS N N 57 119.062 119.062 116.128 2.934 19954 258 1 . 1 1 57 57 CYS HA H 57 4.240 4.240 4.309 -0.069 19954 259 1 . 1 1 57 57 CYS CA C 57 53.750 53.750 58.062 -4.312 19954 260 1 . 1 1 57 57 CYS CB C 57 22.076 22.076 26.998 -4.922 19954 261 1 . 1 1 57 57 CYS H H 57 7.717 7.717 7.403 0.314 19954 262 1 . 1 1 58 58 PRO HA H 58 4.345 4.345 4.437 -0.092 19954 263 1 . 1 1 58 58 PRO CA C 58 60.482 60.482 63.408 -2.926 19954 264 1 . 1 1 58 58 PRO CB C 58 30.160 30.160 32.278 -2.118 19954 265 1 . 1 1 59 59 ASP N N 59 123.671 123.671 117.892 5.779 19954 266 1 . 1 1 59 59 ASP HA H 59 3.917 3.917 4.193 -0.276 19954 267 1 . 1 1 59 59 ASP CA C 59 55.814 55.814 58.139 -2.325 19954 268 1 . 1 1 59 59 ASP CB C 59 36.924 36.924 39.755 -2.831 19954 269 1 . 1 1 59 59 ASP H H 59 8.696 8.696 8.701 -0.005 19954 270 1 . 1 1 60 60 SER N N 60 110.600 110.600 115.822 -5.222 19954 271 1 . 1 1 60 60 SER HA H 60 4.103 4.103 4.027 0.076 19954 272 1 . 1 1 60 60 SER CA C 60 57.379 57.379 61.552 -4.173 19954 273 1 . 1 1 60 60 SER CB C 60 61.562 61.562 62.654 -1.092 19954 274 1 . 1 1 60 60 SER H H 60 8.119 8.119 8.460 -0.341 19954 275 1 . 1 1 61 61 HIS N N 61 122.391 122.391 120.232 2.159 19954 276 1 . 1 1 61 61 HIS HA H 61 4.633 4.633 4.272 0.361 19954 277 1 . 1 1 61 61 HIS CA C 61 54.714 54.714 58.677 -3.963 19954 278 1 . 1 1 61 61 HIS CB C 61 29.942 29.942 29.212 0.730 19954 279 1 . 1 1 61 61 HIS H H 61 8.123 8.123 8.302 -0.179 19954 280 1 . 1 1 62 62 LYS N N 62 121.665 121.665 119.737 1.928 19954 281 1 . 1 1 62 62 LYS HA H 62 3.695 3.695 3.581 0.114 19954 282 1 . 1 1 62 62 LYS CA C 62 55.760 55.760 59.337 -3.577 19954 283 1 . 1 1 62 62 LYS CB C 62 30.296 30.296 31.875 -1.579 19954 284 1 . 1 1 62 62 LYS H H 62 7.512 7.512 7.458 0.054 19954 285 1 . 1 1 63 63 LEU N N 63 117.792 117.792 119.935 -2.143 19954 286 1 . 1 1 63 63 LEU HA H 63 3.458 3.458 3.809 -0.352 19954 287 1 . 1 1 63 63 LEU CA C 63 56.625 56.625 57.407 -0.782 19954 288 1 . 1 1 63 63 LEU CB C 63 38.049 38.049 41.154 -3.105 19954 289 1 . 1 1 63 63 LEU H H 63 8.136 8.136 7.729 0.407 19954 290 1 . 1 1 64 64 GLY N N 64 105.340 105.340 105.883 -0.543 19954 291 1 . 1 1 64 64 GLY CA C 64 45.547 45.547 47.632 -2.085 19954 292 1 . 1 1 64 64 GLY H H 64 8.616 8.616 8.142 0.474 19954 293 1 . 1 1 65 65 SER N N 65 117.745 117.745 118.180 -0.435 19954 294 1 . 1 1 65 65 SER HA H 65 4.265 4.265 4.170 0.095 19954 295 1 . 1 1 65 65 SER CA C 65 58.998 58.998 61.652 -2.654 19954 296 1 . 1 1 65 65 SER CB C 65 67.350 67.350 63.038 4.312 19954 297 1 . 1 1 65 65 SER H H 65 7.894 7.894 8.248 -0.354 19954 298 1 . 1 1 66 66 LEU N N 66 124.161 124.161 122.204 1.957 19954 299 1 . 1 1 66 66 LEU HA H 66 4.301 4.301 3.994 0.306 19954 300 1 . 1 1 66 66 LEU CA C 66 54.055 54.055 58.408 -4.353 19954 301 1 . 1 1 66 66 LEU CB C 66 38.107 38.107 41.731 -3.624 19954 302 1 . 1 1 66 66 LEU H H 66 7.407 7.407 7.825 -0.418 19954 303 1 . 1 1 67 67 TYR N N 67 121.466 121.466 117.548 3.918 19954 304 1 . 1 1 67 67 TYR HA H 67 4.544 4.544 4.238 0.306 19954 305 1 . 1 1 67 67 TYR CA C 67 53.439 53.439 60.437 -6.998 19954 306 1 . 1 1 67 67 TYR CB C 67 34.181 34.181 37.533 -3.352 19954 307 1 . 1 1 67 67 TYR H H 67 8.001 8.001 7.772 0.229 19954 308 1 . 1 1 68 68 ILE N N 68 121.357 121.357 120.492 0.865 19954 309 1 . 1 1 68 68 ILE HA H 68 3.235 3.235 3.580 -0.346 19954 310 1 . 1 1 68 68 ILE CA C 68 64.382 64.382 66.040 -1.658 19954 311 1 . 1 1 68 68 ILE CB C 68 36.080 36.080 37.901 -1.821 19954 312 1 . 1 1 68 68 ILE H H 68 7.811 7.811 7.943 -0.132 19954 313 1 . 1 1 69 69 ILE N N 69 117.955 117.955 119.474 -1.519 19954 314 1 . 1 1 69 69 ILE HA H 69 3.349 3.349 3.529 -0.180 19954 315 1 . 1 1 69 69 ILE CA C 69 63.413 63.413 65.764 -2.351 19954 316 1 . 1 1 69 69 ILE CB C 69 35.919 35.919 37.502 -1.583 19954 317 1 . 1 1 69 69 ILE H H 69 6.886 6.886 8.541 -1.655 19954 318 1 . 1 1 70 70 ASP N N 70 118.932 118.932 120.406 -1.474 19954 319 1 . 1 1 70 70 ASP HA H 70 4.396 4.396 4.295 0.101 19954 320 1 . 1 1 70 70 ASP CA C 70 56.035 56.035 58.072 -2.037 19954 321 1 . 1 1 70 70 ASP CB C 70 41.589 41.589 41.044 0.545 19954 322 1 . 1 1 70 70 ASP H H 70 9.100 9.100 8.358 0.742 19954 323 1 . 1 1 71 71 SER N N 71 110.354 110.354 116.006 -5.652 19954 324 1 . 1 1 71 71 SER HA H 71 4.104 4.104 4.160 -0.056 19954 325 1 . 1 1 71 71 SER CA C 71 58.746 58.746 61.819 -3.073 19954 326 1 . 1 1 71 71 SER CB C 71 61.136 61.136 63.065 -1.929 19954 327 1 . 1 1 71 71 SER H H 71 7.938 7.938 7.861 0.077 19954 328 1 . 1 1 72 72 ILE N N 72 117.565 117.565 121.431 -3.866 19954 329 1 . 1 1 72 72 ILE HA H 72 3.265 3.265 3.528 -0.263 19954 330 1 . 1 1 72 72 ILE CA C 72 63.649 63.649 64.961 -1.312 19954 331 1 . 1 1 72 72 ILE CB C 72 35.764 35.764 37.396 -1.632 19954 332 1 . 1 1 72 72 ILE H H 72 7.912 7.912 7.803 0.109 19954 333 1 . 1 1 73 73 GLY N N 73 107.350 107.350 107.603 -0.253 19954 334 1 . 1 1 73 73 GLY CA C 73 44.747 44.747 47.021 -2.274 19954 335 1 . 1 1 73 73 GLY H H 73 8.847 8.847 8.476 0.371 19954 336 1 . 1 1 74 74 ARG N N 74 118.068 118.068 122.494 -4.426 19954 337 1 . 1 1 74 74 ARG HA H 74 3.950 3.950 3.791 0.159 19954 338 1 . 1 1 74 74 ARG CA C 74 59.172 59.172 59.627 -0.455 19954 339 1 . 1 1 74 74 ARG CB C 74 27.672 27.672 30.036 -2.364 19954 340 1 . 1 1 74 74 ARG H H 74 8.705 8.705 8.057 0.648 19954 341 1 . 1 1 75 75 ALA N N 75 123.817 123.817 122.046 1.771 19954 342 1 . 1 1 75 75 ALA HA H 75 4.216 4.216 4.021 0.195 19954 343 1 . 1 1 75 75 ALA CA C 75 52.862 52.862 55.217 -2.355 19954 344 1 . 1 1 75 75 ALA CB C 75 15.401 15.401 18.411 -3.010 19954 345 1 . 1 1 75 75 ALA H H 75 7.673 7.673 7.884 -0.211 19954 346 1 . 1 1 76 76 TYR N N 76 119.918 119.918 119.157 0.761 19954 347 1 . 1 1 76 76 TYR HA H 76 4.537 4.537 4.198 0.339 19954 348 1 . 1 1 76 76 TYR CA C 76 55.093 55.093 60.032 -4.939 19954 349 1 . 1 1 76 76 TYR CB C 76 33.803 33.803 37.617 -3.814 19954 350 1 . 1 1 76 76 TYR H H 76 8.659 8.659 8.491 0.168 19954 351 1 . 1 1 77 77 LEU N N 77 123.387 123.387 120.310 3.077 19954 352 1 . 1 1 77 77 LEU HA H 77 3.814 3.814 3.798 0.016 19954 353 1 . 1 1 77 77 LEU CA C 77 55.175 55.175 58.515 -3.340 19954 354 1 . 1 1 77 77 LEU CB C 77 39.874 39.874 41.429 -1.555 19954 355 1 . 1 1 77 77 LEU H H 77 8.756 8.756 8.607 0.149 19954 356 1 . 1 1 78 78 ASP N N 78 120.181 120.181 118.387 1.794 19954 357 1 . 1 1 78 78 ASP HA H 78 4.295 4.295 4.245 0.050 19954 358 1 . 1 1 78 78 ASP CA C 78 54.803 54.803 57.706 -2.903 19954 359 1 . 1 1 78 78 ASP CB C 78 37.823 37.823 40.558 -2.735 19954 360 1 . 1 1 78 78 ASP H H 78 7.891 7.891 8.093 -0.202 19954 361 1 . 1 1 79 79 GLU N N 79 120.503 120.503 118.910 1.593 19954 362 1 . 1 1 79 79 GLU HA H 79 4.018 4.018 3.989 0.029 19954 363 1 . 1 1 79 79 GLU CA C 79 56.474 56.474 59.168 -2.694 19954 364 1 . 1 1 79 79 GLU CB C 79 27.204 27.204 29.278 -2.074 19954 365 1 . 1 1 79 79 GLU H H 79 7.502 7.502 8.175 -0.673 19954 366 1 . 1 1 80 80 THR N N 80 111.013 111.013 114.959 -3.946 19954 367 1 . 1 1 80 80 THR HA H 80 4.151 4.151 3.972 0.179 19954 368 1 . 1 1 80 80 THR CA C 80 61.984 61.984 65.419 -3.435 19954 369 1 . 1 1 80 80 THR CB C 80 67.420 67.420 68.741 -1.321 19954 370 1 . 1 1 80 80 THR H H 80 7.883 7.883 7.901 -0.018 19954 371 1 . 1 1 81 81 ARG N N 81 120.172 120.172 120.866 -0.694 19954 372 1 . 1 1 81 81 ARG HA H 81 4.079 4.079 4.047 0.032 19954 373 1 . 1 1 81 81 ARG CA C 81 55.137 55.137 58.772 -3.635 19954 374 1 . 1 1 81 81 ARG H H 81 7.471 7.471 8.332 -0.861 19954 375 1 . 1 1 82 82 SER N N 82 113.571 113.571 113.485 0.086 19954 376 1 . 1 1 82 82 SER HA H 82 4.329 4.329 4.244 0.085 19954 377 1 . 1 1 82 82 SER CA C 82 56.193 56.193 60.687 -4.494 19954 378 1 . 1 1 82 82 SER CB C 82 72.312 72.312 63.372 8.940 19954 379 1 . 1 1 82 82 SER H H 82 7.744 7.744 8.020 -0.276 19954 380 1 . 1 1 83 83 ASN N N 83 119.990 119.990 117.092 2.898 19954 381 1 . 1 1 83 83 ASN HA H 83 4.742 4.742 4.848 -0.106 19954 382 1 . 1 1 83 83 ASN CA C 83 50.163 50.163 53.421 -3.258 19954 383 1 . 1 1 83 83 ASN H H 83 7.792 7.792 7.796 -0.004 19954 384 1 . 1 1 84 84 SER N N 84 116.799 116.799 113.258 3.541 19954 385 1 . 1 1 84 84 SER HA H 84 4.291 4.291 4.484 -0.193 19954 386 1 . 1 1 84 84 SER CA C 84 56.325 56.325 58.083 -1.758 19954 387 1 . 1 1 84 84 SER H H 84 8.352 8.352 8.169 0.183 19954 388 1 . 1 1 85 85 ASN N N 85 120.087 120.087 121.100 -1.013 19954 389 1 . 1 1 85 85 ASN HA H 85 4.667 4.667 4.906 -0.239 19954 390 1 . 1 1 85 85 ASN CA C 85 50.808 50.808 52.587 -1.779 19954 391 1 . 1 1 85 85 ASN H H 85 8.362 8.362 8.369 -0.007 19954 392 1 . 1 1 86 86 SER N N 86 116.068 116.068 116.051 0.016 19954 393 1 . 1 1 86 86 SER HA H 86 4.362 4.362 4.563 -0.201 19954 394 1 . 1 1 86 86 SER CA C 86 55.853 55.853 58.009 -2.156 19954 395 1 . 1 1 86 86 SER H H 86 8.102 8.102 8.217 -0.115 19954 396 1 . 1 1 87 87 SER N N 87 117.615 117.615 117.634 -0.019 19954 397 1 . 1 1 87 87 SER HA H 87 4.302 4.302 4.650 -0.348 19954 398 1 . 1 1 87 87 SER CA C 87 55.608 55.608 58.319 -2.711 19954 399 1 . 1 1 87 87 SER H H 87 8.269 8.269 8.377 -0.108 19954 400 1 . 1 1 88 88 SER N N 88 122.455 122.455 116.907 5.548 19954 401 1 . 1 1 88 88 SER CA C 88 53.710 53.710 58.297 -4.587 19954 402 1 . 1 1 88 88 SER H H 88 8.377 8.377 8.383 -0.006 19954 403 1 . 1 1 89 89 ASN N N 89 115.430 115.430 119.885 -4.455 19954 404 1 . 1 1 89 89 ASN CA C 89 58.900 58.900 53.515 5.385 19954 405 1 . 1 1 89 89 ASN H H 89 8.141 8.141 8.406 -0.265 19954 406 1 . 1 1 90 90 LYS N N 90 128.071 128.071 119.287 8.784 19954 407 1 . 1 1 90 90 LYS CA C 90 55.381 55.381 55.231 0.150 19954 408 1 . 1 1 90 90 LYS H H 90 7.961 7.961 8.223 -0.262 19954 409 1 . 1 1 91 91 PRO HA H 91 3.405 3.405 4.371 -0.966 19954 410 1 . 1 1 91 91 PRO CA C 91 60.621 60.621 62.782 -2.161 19954 411 1 . 1 1 91 91 PRO CB C 91 28.693 28.693 32.463 -3.770 19954 412 1 . 1 1 92 92 GLY N N 92 112.403 112.403 106.473 5.930 19954 413 1 . 1 1 92 92 GLY CA C 92 43.305 43.305 46.135 -2.830 19954 414 1 . 1 1 92 92 GLY H H 92 10.139 10.139 8.732 1.407 19954 415 1 . 1 1 93 93 THR N N 93 106.254 106.254 111.161 -4.907 19954 416 1 . 1 1 93 93 THR HA H 93 4.527 4.527 5.119 -0.592 19954 417 1 . 1 1 93 93 THR CA C 93 56.663 56.663 59.979 -3.316 19954 418 1 . 1 1 93 93 THR CB C 93 70.927 70.927 70.923 0.004 19954 419 1 . 1 1 93 93 THR H H 93 7.180 7.180 7.434 -0.254 19954 420 1 . 1 1 94 94 CYS N N 94 121.465 121.465 120.268 1.197 19954 421 1 . 1 1 94 94 CYS HA H 94 3.450 3.450 3.744 -0.294 19954 422 1 . 1 1 94 94 CYS CA C 94 60.867 60.867 62.898 -2.031 19954 423 1 . 1 1 94 94 CYS CB C 94 25.246 25.246 26.813 -1.567 19954 424 1 . 1 1 94 94 CYS H H 94 8.777 8.777 8.605 0.172 19954 425 1 . 1 1 95 95 ALA N N 95 119.619 119.619 123.116 -3.497 19954 426 1 . 1 1 95 95 ALA HA H 95 3.842 3.842 3.830 0.012 19954 427 1 . 1 1 95 95 ALA CA C 95 52.745 52.745 55.426 -2.681 19954 428 1 . 1 1 95 95 ALA CB C 95 15.704 15.704 17.894 -2.190 19954 429 1 . 1 1 95 95 ALA H H 95 8.392 8.392 8.368 0.024 19954 430 1 . 1 1 96 96 HIS N N 96 118.081 118.081 118.900 -0.819 19954 431 1 . 1 1 96 96 HIS HA H 96 4.206 4.206 4.214 -0.008 19954 432 1 . 1 1 96 96 HIS CA C 96 57.691 57.691 59.273 -1.581 19954 433 1 . 1 1 96 96 HIS CB C 96 27.084 27.084 29.493 -2.409 19954 434 1 . 1 1 96 96 HIS H H 96 7.631 7.631 8.250 -0.619 19954 435 1 . 1 1 97 97 ALA N N 97 123.652 123.652 122.800 0.852 19954 436 1 . 1 1 97 97 ALA HA H 97 3.941 3.941 4.177 -0.236 19954 437 1 . 1 1 97 97 ALA CA C 97 53.158 53.158 55.428 -2.270 19954 438 1 . 1 1 97 97 ALA CB C 97 17.664 17.664 18.607 -0.943 19954 439 1 . 1 1 97 97 ALA H H 97 7.347 7.347 8.119 -0.772 19954 440 1 . 1 1 98 98 ILE N N 98 115.278 115.278 118.882 -3.604 19954 441 1 . 1 1 98 98 ILE HA H 98 3.524 3.524 3.519 0.005 19954 442 1 . 1 1 98 98 ILE CA C 98 62.983 62.983 65.964 -2.981 19954 443 1 . 1 1 98 98 ILE CB C 98 35.667 35.667 37.481 -1.814 19954 444 1 . 1 1 98 98 ILE H H 98 7.916 7.916 8.491 -0.575 19954 445 1 . 1 1 99 99 ASN N N 99 120.684 120.684 118.103 2.581 19954 446 1 . 1 1 99 99 ASN HA H 99 4.404 4.404 4.375 0.029 19954 447 1 . 1 1 99 99 ASN CA C 99 54.139 54.139 56.583 -2.444 19954 448 1 . 1 1 99 99 ASN CB C 99 36.245 36.245 38.248 -2.003 19954 449 1 . 1 1 99 99 ASN H H 99 7.978 7.978 8.046 -0.068 19954 450 1 . 1 1 100 100 THR N N 100 117.791 117.791 117.225 0.566 19954 451 1 . 1 1 100 100 THR HA H 100 3.630 3.630 3.941 -0.311 19954 452 1 . 1 1 100 100 THR CA C 100 63.899 63.899 66.466 -2.567 19954 453 1 . 1 1 100 100 THR CB C 100 66.038 66.038 68.790 -2.752 19954 454 1 . 1 1 100 100 THR H H 100 8.295 8.295 8.176 0.119 19954 455 1 . 1 1 101 101 LEU HA H 101 3.718 3.718 3.876 -0.158 19954 456 1 . 1 1 101 101 LEU CA C 101 54.425 54.425 58.146 -3.721 19954 457 1 . 1 1 101 101 LEU CB C 101 41.188 41.188 41.703 -0.515 19954 458 1 . 1 1 101 101 LEU H H 101 7.825 7.825 8.401 -0.576 19954 459 1 . 1 1 102 102 GLY N N 102 105.767 105.767 103.643 2.124 19954 460 1 . 1 1 102 102 GLY CA C 102 45.341 45.341 46.612 -1.271 19954 461 1 . 1 1 102 102 GLY H H 102 8.591 8.591 8.222 0.369 19954 462 1 . 1 1 103 103 GLU N N 103 116.366 116.366 119.523 -3.157 19954 463 1 . 1 1 103 103 GLU HA H 103 4.067 4.067 4.345 -0.278 19954 464 1 . 1 1 103 103 GLU CA C 103 55.446 55.446 57.667 -2.221 19954 465 1 . 1 1 103 103 GLU CB C 103 27.377 27.377 30.195 -2.818 19954 466 1 . 1 1 103 103 GLU H H 103 7.471 7.471 7.850 -0.379 19954 467 1 . 1 1 104 104 VAL N N 104 108.377 108.377 113.176 -4.799 19954 468 1 . 1 1 104 104 VAL HA H 104 4.756 4.756 4.430 0.326 19954 469 1 . 1 1 104 104 VAL CA C 104 57.855 57.855 62.314 -4.459 19954 470 1 . 1 1 104 104 VAL CB C 104 30.878 30.878 33.566 -2.688 19954 471 1 . 1 1 104 104 VAL H H 104 7.016 7.016 7.839 -0.823 19954 472 1 . 1 1 105 105 ILE N N 105 123.784 123.784 122.805 0.979 19954 473 1 . 1 1 105 105 ILE HA H 105 3.754 3.754 3.604 0.150 19954 474 1 . 1 1 105 105 ILE CA C 105 58.400 58.400 64.533 -6.133 19954 475 1 . 1 1 105 105 ILE CB C 105 35.411 35.411 37.839 -2.428 19954 476 1 . 1 1 105 105 ILE H H 105 7.197 7.197 8.637 -1.440 19954 477 1 . 1 1 106 106 GLN N N 106 121.117 121.117 118.646 2.471 19954 478 1 . 1 1 106 106 GLN HA H 106 3.655 3.655 3.864 -0.209 19954 479 1 . 1 1 106 106 GLN CA C 106 58.334 58.334 59.226 -0.892 19954 480 1 . 1 1 106 106 GLN CB C 106 26.892 26.892 27.299 -0.407 19954 481 1 . 1 1 106 106 GLN H H 106 8.549 8.549 8.608 -0.059 19954 482 1 . 1 1 107 107 GLU N N 107 122.716 122.716 121.532 1.184 19954 483 1 . 1 1 107 107 GLU HA H 107 3.837 3.837 4.081 -0.244 19954 484 1 . 1 1 107 107 GLU CA C 107 56.588 56.588 58.646 -2.058 19954 485 1 . 1 1 107 107 GLU CB C 107 26.534 26.534 28.922 -2.388 19954 486 1 . 1 1 107 107 GLU H H 107 7.762 7.762 8.031 -0.269 19954 487 1 . 1 1 108 108 LEU N N 108 116.615 116.615 121.269 -4.654 19954 488 1 . 1 1 108 108 LEU HA H 108 3.979 3.979 3.990 -0.011 19954 489 1 . 1 1 108 108 LEU CA C 108 54.794 54.794 57.878 -3.084 19954 490 1 . 1 1 108 108 LEU CB C 108 38.497 38.497 41.642 -3.145 19954 491 1 . 1 1 108 108 LEU H H 108 8.016 8.016 7.618 0.398 19954 492 1 . 1 1 109 109 LEU N N 109 118.708 118.708 119.074 -0.366 19954 493 1 . 1 1 109 109 LEU HA H 109 3.840 3.840 3.801 0.039 19954 494 1 . 1 1 109 109 LEU CA C 109 55.726 55.726 58.821 -3.095 19954 495 1 . 1 1 109 109 LEU CB C 109 41.322 41.322 41.652 -0.330 19954 496 1 . 1 1 109 109 LEU H H 109 8.801 8.801 8.520 0.282 19954 497 1 . 1 1 110 110 SER N N 110 114.083 114.083 114.502 -0.419 19954 498 1 . 1 1 110 110 SER HA H 110 3.848 3.848 3.788 0.060 19954 499 1 . 1 1 110 110 SER CA C 110 60.127 60.127 61.650 -1.523 19954 500 1 . 1 1 110 110 SER CB C 110 60.300 60.300 62.281 -1.981 19954 501 1 . 1 1 110 110 SER H H 110 8.161 8.161 8.144 0.017 19954 502 1 . 1 1 111 111 ASP N N 111 120.151 120.151 122.810 -2.659 19954 503 1 . 1 1 111 111 ASP HA H 111 4.342 4.342 4.248 0.094 19954 504 1 . 1 1 111 111 ASP CA C 111 54.767 54.767 57.154 -2.387 19954 505 1 . 1 1 111 111 ASP CB C 111 39.744 39.744 40.337 -0.593 19954 506 1 . 1 1 111 111 ASP H H 111 7.614 7.614 7.978 -0.364 19954 507 1 . 1 1 112 112 ALA N N 112 116.927 116.927 122.654 -5.728 19954 508 1 . 1 1 112 112 ALA HA H 112 3.589 3.589 3.912 -0.323 19954 509 1 . 1 1 112 112 ALA CA C 112 52.723 52.723 55.305 -2.582 19954 510 1 . 1 1 112 112 ALA CB C 112 17.647 17.647 18.530 -0.883 19954 511 1 . 1 1 112 112 ALA H H 112 7.662 7.662 8.042 -0.380 19954 512 1 . 1 1 113 113 ILE N N 113 119.039 119.039 118.271 0.768 19954 513 1 . 1 1 113 113 ILE HA H 113 3.227 3.227 3.636 -0.409 19954 514 1 . 1 1 113 113 ILE CA C 113 63.680 63.680 64.650 -0.970 19954 515 1 . 1 1 113 113 ILE CB C 113 36.159 36.159 37.596 -1.437 19954 516 1 . 1 1 113 113 ILE H H 113 8.681 8.681 8.242 0.439 19954 517 1 . 1 1 114 114 ALA N N 114 120.055 120.055 121.991 -1.936 19954 518 1 . 1 1 114 114 ALA HA H 114 3.907 3.907 3.963 -0.056 19954 519 1 . 1 1 114 114 ALA CA C 114 52.588 52.588 54.617 -2.029 19954 520 1 . 1 1 114 114 ALA CB C 114 16.131 16.131 18.605 -2.474 19954 521 1 . 1 1 114 114 ALA H H 114 7.716 7.716 8.090 -0.374 19954 522 1 . 1 1 115 115 LYS N N 115 113.845 113.845 118.464 -4.619 19954 523 1 . 1 1 115 115 LYS HA H 115 4.083 4.083 4.041 0.042 19954 524 1 . 1 1 115 115 LYS CA C 115 53.955 53.955 57.736 -3.781 19954 525 1 . 1 1 115 115 LYS CB C 115 31.633 31.633 32.532 -0.899 19954 526 1 . 1 1 115 115 LYS H H 115 7.248 7.248 8.171 -0.923 19954 527 1 . 1 1 116 116 SER N N 116 115.794 115.794 113.489 2.305 19954 528 1 . 1 1 116 116 SER HA H 116 4.503 4.503 4.328 0.175 19954 529 1 . 1 1 116 116 SER CA C 116 57.848 57.848 59.528 -1.680 19954 530 1 . 1 1 116 116 SER CB C 116 63.380 63.380 63.935 -0.554 19954 531 1 . 1 1 116 116 SER H H 116 7.124 7.124 8.053 -0.929 19954 532 1 . 1 1 117 117 ASN N N 117 119.747 119.747 120.506 -0.759 19954 533 1 . 1 1 117 117 ASN HA H 117 4.522 4.522 4.769 -0.247 19954 534 1 . 1 1 117 117 ASN CA C 117 49.342 49.342 51.983 -2.641 19954 535 1 . 1 1 117 117 ASN CB C 117 35.282 35.282 39.573 -4.291 19954 536 1 . 1 1 117 117 ASN H H 117 8.457 8.457 8.218 0.239 19954 537 1 . 1 1 118 118 GLN N N 118 117.591 117.591 119.385 -1.794 19954 538 1 . 1 1 118 118 GLN HA H 118 3.777 3.777 3.904 -0.127 19954 539 1 . 1 1 118 118 GLN CA C 118 57.184 57.184 60.195 -3.011 19954 540 1 . 1 1 118 118 GLN CB C 118 31.541 31.541 28.330 3.211 19954 541 1 . 1 1 118 118 GLN H H 118 8.418 8.418 8.781 -0.363 19954 542 1 . 1 1 119 119 ASP N N 119 119.281 119.281 118.463 0.818 19954 543 1 . 1 1 119 119 ASP HA H 119 4.290 4.290 4.505 -0.215 19954 544 1 . 1 1 119 119 ASP CA C 119 54.593 54.593 57.644 -3.052 19954 545 1 . 1 1 119 119 ASP CB C 119 38.903 38.903 40.188 -1.285 19954 546 1 . 1 1 119 119 ASP H H 119 7.973 7.973 8.625 -0.652 19954 547 1 . 1 1 120 120 HIS N N 120 118.871 118.871 118.186 0.685 19954 548 1 . 1 1 120 120 HIS HA H 120 4.340 4.340 4.098 0.242 19954 549 1 . 1 1 120 120 HIS CA C 120 55.758 55.758 58.919 -3.162 19954 550 1 . 1 1 120 120 HIS CB C 120 27.728 27.728 29.634 -1.906 19954 551 1 . 1 1 120 120 HIS H H 120 8.702 8.702 8.329 0.373 19954 552 1 . 1 1 121 121 LYS N N 121 120.739 120.739 118.809 1.930 19954 553 1 . 1 1 121 121 LYS HA H 121 3.768 3.768 3.921 -0.153 19954 554 1 . 1 1 121 121 LYS CA C 121 59.685 59.685 59.582 0.103 19954 555 1 . 1 1 121 121 LYS CB C 121 30.924 30.924 31.487 -0.563 19954 556 1 . 1 1 121 121 LYS H H 121 8.990 8.990 8.798 0.192 19954 557 1 . 1 1 122 122 GLU N N 122 117.889 117.889 119.683 -1.794 19954 558 1 . 1 1 122 122 GLU HA H 122 4.062 4.062 4.011 0.051 19954 559 1 . 1 1 122 122 GLU CA C 122 56.105 56.105 59.499 -3.394 19954 560 1 . 1 1 122 122 GLU CB C 122 26.691 26.691 29.204 -2.513 19954 561 1 . 1 1 122 122 GLU H H 122 7.615 7.615 7.969 -0.354 19954 562 1 . 1 1 123 123 LYS N N 123 119.139 119.139 119.003 0.136 19954 563 1 . 1 1 123 123 LYS HA H 123 3.959 3.959 4.095 -0.136 19954 564 1 . 1 1 123 123 LYS CA C 123 56.602 56.602 58.759 -2.157 19954 565 1 . 1 1 123 123 LYS CB C 123 30.223 30.223 31.975 -1.752 19954 566 1 . 1 1 123 123 LYS H H 123 7.550 7.550 7.663 -0.113 19954 567 1 . 1 1 124 124 ILE N N 124 123.103 123.103 119.877 3.226 19954 568 1 . 1 1 124 124 ILE HA H 124 3.226 3.226 3.492 -0.266 19954 569 1 . 1 1 124 124 ILE CA C 124 63.684 63.684 65.701 -2.017 19954 570 1 . 1 1 124 124 ILE CB C 124 34.743 34.743 37.526 -2.783 19954 571 1 . 1 1 124 124 ILE H H 124 8.356 8.356 7.818 0.538 19954 572 1 . 1 1 125 125 ARG N N 125 122.162 122.162 119.928 2.234 19954 573 1 . 1 1 125 125 ARG HA H 125 3.106 3.106 3.869 -0.763 19954 574 1 . 1 1 125 125 ARG CA C 125 58.024 58.024 59.473 -1.449 19954 575 1 . 1 1 125 125 ARG CB C 125 31.971 31.971 30.053 1.918 19954 576 1 . 1 1 125 125 ARG H H 125 7.988 7.988 7.936 0.052 19954 577 1 . 1 1 126 126 MET N N 126 115.215 115.215 118.694 -3.479 19954 578 1 . 1 1 126 126 MET HA H 126 3.973 3.973 4.099 -0.126 19954 579 1 . 1 1 126 126 MET CA C 126 55.896 55.896 58.810 -2.914 19954 580 1 . 1 1 126 126 MET CB C 126 29.856 29.856 32.336 -2.480 19954 581 1 . 1 1 126 126 MET H H 126 7.455 7.455 7.789 -0.334 19954 582 1 . 1 1 127 127 LEU N N 127 122.351 122.351 120.737 1.614 19954 583 1 . 1 1 127 127 LEU HA H 127 3.552 3.552 3.771 -0.219 19954 584 1 . 1 1 127 127 LEU CA C 127 54.788 54.788 57.818 -3.030 19954 585 1 . 1 1 127 127 LEU CB C 127 39.278 39.278 41.221 -1.943 19954 586 1 . 1 1 127 127 LEU H H 127 7.479 7.479 7.811 -0.332 19954 587 1 . 1 1 128 128 LEU HA H 128 3.883 3.883 3.441 0.442 19954 588 1 . 1 1 128 128 LEU CA C 128 55.347 55.347 58.291 -2.944 19954 589 1 . 1 1 128 128 LEU CB C 128 38.809 38.809 41.329 -2.520 19954 590 1 . 1 1 128 128 LEU H H 128 7.841 7.841 7.946 -0.105 19954 591 1 . 1 1 129 129 ASP N N 129 116.915 116.915 119.515 -2.600 19954 592 1 . 1 1 129 129 ASP HA H 129 4.387 4.387 4.353 0.034 19954 593 1 . 1 1 129 129 ASP CA C 129 52.599 52.599 57.671 -5.072 19954 594 1 . 1 1 129 129 ASP CB C 129 37.866 37.866 40.833 -2.967 19954 595 1 . 1 1 129 129 ASP H H 129 7.034 7.034 7.752 -0.718 19954 596 1 . 1 1 130 130 ILE N N 130 124.155 124.155 120.069 4.086 19954 597 1 . 1 1 130 130 ILE HA H 130 3.643 3.643 3.670 -0.027 19954 598 1 . 1 1 130 130 ILE CA C 130 63.376 63.376 65.208 -1.832 19954 599 1 . 1 1 130 130 ILE CB C 130 34.784 34.784 37.766 -2.982 19954 600 1 . 1 1 130 130 ILE H H 130 7.671 7.671 7.704 -0.033 19954 601 1 . 1 1 131 131 TRP N N 131 125.421 125.421 120.363 5.058 19954 602 1 . 1 1 131 131 TRP H H 131 8.831 8.831 7.972 0.859 19954 603 1 . 1 1 142 142 LEU HA H 142 7.439 7.439 4.599 2.840 19954 604 1 . 1 1 143 143 ASN HA H 143 4.483 4.483 4.264 0.219 19954 605 1 . 1 1 143 143 ASN CA C 143 51.737 51.737 56.190 -4.453 19954 606 1 . 1 1 144 144 ALA N N 144 121.013 121.013 122.966 -1.953 19954 607 1 . 1 1 144 144 ALA HA H 144 4.104 4.104 3.975 0.129 19954 608 1 . 1 1 144 144 ALA CA C 144 52.678 52.678 54.867 -2.189 19954 609 1 . 1 1 144 144 ALA CB C 144 15.376 15.376 18.618 -3.242 19954 610 1 . 1 1 144 144 ALA H H 144 8.212 8.212 8.149 0.063 19954 611 1 . 1 1 145 145 ILE N N 145 117.646 117.646 115.589 2.057 19954 612 1 . 1 1 145 145 ILE HA H 145 3.828 3.828 3.611 0.217 19954 613 1 . 1 1 145 145 ILE CA C 145 58.344 58.344 62.889 -4.544 19954 614 1 . 1 1 145 145 ILE CB C 145 37.142 37.142 36.480 0.662 19954 615 1 . 1 1 145 145 ILE H H 145 7.183 7.183 7.795 -0.612 19954 616 1 . 1 1 146 146 ARG N N 146 121.150 121.150 121.066 0.084 19954 617 1 . 1 1 146 146 ARG HA H 146 3.902 3.902 3.836 0.066 19954 618 1 . 1 1 146 146 ARG CA C 146 58.465 58.465 58.719 -0.254 19954 619 1 . 1 1 146 146 ARG CB C 146 27.783 27.783 30.001 -2.218 19954 620 1 . 1 1 146 146 ARG H H 146 8.477 8.477 7.830 0.647 19954 621 1 . 1 1 147 147 SER N N 147 111.836 111.836 115.618 -3.782 19954 622 1 . 1 1 147 147 SER HA H 147 4.162 4.162 4.357 -0.195 19954 623 1 . 1 1 147 147 SER CA C 147 58.642 58.642 58.485 0.157 19954 624 1 . 1 1 147 147 SER CB C 147 60.972 60.972 62.880 -1.908 19954 625 1 . 1 1 147 147 SER H H 147 8.187 8.187 7.678 0.509 19954 626 1 . 1 1 148 148 LYS N N 148 118.675 118.675 127.264 -8.589 19954 627 1 . 1 1 148 148 LYS HA H 148 4.138 4.138 3.942 0.195 19954 628 1 . 1 1 148 148 LYS CA C 148 56.017 56.017 59.377 -3.360 19954 629 1 . 1 1 148 148 LYS CB C 148 31.780 31.780 31.745 0.035 19954 630 1 . 1 1 148 148 LYS H H 148 7.837 7.837 8.507 -0.670 19954 631 1 . 1 1 149 149 CYS N N 149 113.256 113.256 118.170 -4.914 19954 632 1 . 1 1 149 149 CYS HA H 149 4.592 4.592 4.106 0.486 19954 633 1 . 1 1 149 149 CYS CA C 149 52.012 52.012 62.400 -10.388 19954 634 1 . 1 1 149 149 CYS H H 149 8.267 8.267 8.095 0.172 19954 635 1 . 1 1 150 150 PHE N N 150 116.623 116.623 120.644 -4.021 19954 636 1 . 1 1 150 150 PHE HA H 150 4.944 4.944 4.045 0.899 19954 637 1 . 1 1 150 150 PHE CA C 150 54.409 54.409 61.518 -7.109 19954 638 1 . 1 1 150 150 PHE CB C 150 37.053 37.053 37.503 -0.450 19954 639 1 . 1 1 150 150 PHE H H 150 7.373 7.373 8.644 -1.271 19954 640 1 . 1 1 151 151 ALA N N 151 122.583 122.583 121.143 1.440 19954 641 1 . 1 1 151 151 ALA HA H 151 4.179 4.179 3.819 0.360 19954 642 1 . 1 1 151 151 ALA CA C 151 50.641 50.641 55.068 -4.427 19954 643 1 . 1 1 151 151 ALA CB C 151 15.939 15.939 18.294 -2.355 19954 644 1 . 1 1 151 151 ALA H H 151 7.710 7.710 8.153 -0.443 19954 645 1 . 1 1 152 152 MET N N 152 118.250 118.250 116.741 1.509 19954 646 1 . 1 1 152 152 MET HA H 152 4.262 4.262 4.031 0.231 19954 647 1 . 1 1 152 152 MET CA C 152 53.482 53.482 58.782 -5.300 19954 648 1 . 1 1 152 152 MET CB C 152 30.488 30.488 32.015 -1.527 19954 649 1 . 1 1 152 152 MET H H 152 8.086 8.086 7.988 0.098 19954 650 1 . 1 1 153 153 ASP N N 153 121.780 121.780 119.437 2.343 19954 651 1 . 1 1 153 153 ASP HA H 153 4.478 4.478 4.442 0.036 19954 652 1 . 1 1 153 153 ASP CA C 153 51.626 51.626 56.849 -5.223 19954 653 1 . 1 1 153 153 ASP CB C 153 38.460 38.460 41.416 -2.956 19954 654 1 . 1 1 153 153 ASP H H 153 8.299 8.299 8.024 0.275 19954 655 1 . 1 1 154 154 LEU N N 154 122.337 122.337 117.844 4.493 19954 656 1 . 1 1 154 154 LEU HA H 154 4.108 4.108 4.048 0.060 19954 657 1 . 1 1 154 154 LEU CA C 154 52.853 52.853 57.114 -4.261 19954 658 1 . 1 1 154 154 LEU CB C 154 39.716 39.716 41.660 -1.944 19954 659 1 . 1 1 154 154 LEU H H 154 8.072 8.072 7.894 0.178 19954 660 1 . 1 1 155 155 GLU N N 155 119.995 119.995 117.803 2.192 19954 661 1 . 1 1 155 155 GLU HA H 155 3.995 3.995 4.045 -0.050 19954 662 1 . 1 1 155 155 GLU CA C 155 54.299 54.299 57.172 -2.873 19954 663 1 . 1 1 155 155 GLU CB C 155 27.634 27.634 29.618 -1.984 19954 664 1 . 1 1 155 155 GLU H H 155 8.151 8.151 7.824 0.327 19954 665 1 . 1 1 156 156 HIS N N 156 118.980 118.980 119.532 -0.552 19954 666 1 . 1 1 156 156 HIS HA H 156 4.220 4.220 4.387 -0.167 19954 667 1 . 1 1 156 156 HIS CA C 156 53.443 53.443 56.833 -3.390 19954 668 1 . 1 1 156 156 HIS H H 156 8.007 8.007 8.132 -0.125 19954 669 1 . 1 1 157 157 HIS N N 157 121.956 121.956 118.547 3.409 19954 670 1 . 1 1 157 157 HIS HA H 157 4.411 4.411 4.489 -0.078 19954 671 1 . 1 1 157 157 HIS CA C 157 53.252 53.252 56.210 -2.958 19954 672 1 . 1 1 157 157 HIS H H 157 8.580 8.580 8.143 0.437 19954 673 1 . 1 1 158 158 HIS N N 158 125.474 125.474 119.994 5.480 19954 674 1 . 1 1 158 158 HIS CA C 158 54.628 54.628 55.730 -1.102 19954 675 1 . 1 1 158 158 HIS H H 158 7.906 7.906 8.429 -0.523 19954 stop_ save_