data_17948 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17948 _Entry.PDB_ID 2LJL 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 17948 _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 3 3 ASP HA H 3 4.610 4.610 4.447 0.163 17948 2 1 1 . 1 1 3 3 ASP H H 3 8.330 8.330 8.577 -0.247 17948 3 1 1 . 1 1 4 4 ALA N N 4 124.218 124.218 125.157 -0.939 17948 4 1 1 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.783 -0.523 17948 5 1 1 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.869 1.131 17948 6 1 1 . 1 1 4 4 ALA CB C 4 18.965 18.965 21.010 -2.045 17948 7 1 1 . 1 1 4 4 ALA H H 4 8.180 8.180 7.876 0.304 17948 8 1 1 . 1 1 5 5 GLY N N 5 107.349 107.349 107.495 -0.146 17948 9 1 1 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.577 0.523 17948 10 1 1 . 1 1 5 5 GLY H H 5 8.344 8.344 8.867 -0.523 17948 11 1 1 . 1 1 6 6 ARG N N 6 119.351 119.351 120.141 -0.790 17948 12 1 1 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.359 -0.089 17948 13 1 1 . 1 1 6 6 ARG H H 6 7.971 7.971 8.259 -0.288 17948 14 1 1 . 1 1 7 7 LYS N N 7 122.700 122.700 122.654 0.046 17948 15 1 1 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.392 -0.112 17948 16 1 1 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.357 0.043 17948 17 1 1 . 1 1 7 7 LYS CB C 7 32.900 32.900 33.062 -0.162 17948 18 1 1 . 1 1 7 7 LYS H H 7 8.034 8.034 8.533 -0.499 17948 19 1 1 . 1 1 8 8 GLY H H 8 8.340 8.340 8.039 0.301 17948 20 1 1 . 1 1 9 9 PHE N N 9 122.017 122.017 117.183 4.834 17948 21 1 1 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.166 -0.546 17948 22 1 1 . 1 1 9 9 PHE CA C 9 56.000 56.000 57.265 -1.265 17948 23 1 1 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.923 0.027 17948 24 1 1 . 1 1 9 9 PHE H H 9 8.093 8.093 7.845 0.248 17948 25 1 1 . 1 1 10 10 GLY N N 10 120.389 120.389 109.228 11.161 17948 26 1 1 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.610 0.944 17948 27 1 1 . 1 1 10 10 GLY H H 10 7.996 7.996 8.460 -0.465 17948 28 1 1 . 1 1 11 11 GLU N N 11 120.847 120.847 120.410 0.437 17948 29 1 1 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.913 -0.653 17948 30 1 1 . 1 1 11 11 GLU CA C 11 57.061 57.061 55.801 1.260 17948 31 1 1 . 1 1 11 11 GLU CB C 11 30.200 30.200 31.773 -1.573 17948 32 1 1 . 1 1 11 11 GLU H H 11 8.168 8.168 8.682 -0.514 17948 33 1 1 . 1 1 12 12 LYS N N 12 121.524 121.524 119.284 2.240 17948 34 1 1 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.555 -0.275 17948 35 1 1 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.605 -0.053 17948 36 1 1 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.493 -0.693 17948 37 1 1 . 1 1 12 12 LYS H H 12 8.273 8.273 8.778 -0.505 17948 38 1 1 . 1 1 13 13 ALA N N 13 124.765 124.765 122.622 2.143 17948 39 1 1 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.336 -0.076 17948 40 1 1 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.056 1.000 17948 41 1 1 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.754 -0.854 17948 42 1 1 . 1 1 13 13 ALA H H 13 8.288 8.288 7.873 0.415 17948 43 1 1 . 1 1 14 14 SER N N 14 114.047 114.047 114.635 -0.588 17948 44 1 1 . 1 1 14 14 SER HA H 14 4.342 4.342 4.348 -0.006 17948 45 1 1 . 1 1 14 14 SER CA C 14 58.918 58.918 58.905 0.013 17948 46 1 1 . 1 1 14 14 SER CB C 14 63.539 63.539 63.268 0.271 17948 47 1 1 . 1 1 14 14 SER H H 14 8.145 8.145 8.310 -0.165 17948 48 1 1 . 1 1 15 15 GLU N N 15 122.145 122.145 119.574 2.571 17948 49 1 1 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.451 -0.191 17948 50 1 1 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.378 -8.361 17948 51 1 1 . 1 1 15 15 GLU CB C 15 30.341 30.341 31.372 -1.031 17948 52 1 1 . 1 1 15 15 GLU H H 15 8.223 8.223 8.396 -0.173 17948 53 1 1 . 1 1 16 16 ALA N N 16 123.491 123.491 126.872 -3.381 17948 54 1 1 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.466 -0.182 17948 55 1 1 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.500 -0.000 17948 56 1 1 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.723 -0.523 17948 57 1 1 . 1 1 16 16 ALA H H 16 8.033 8.033 8.665 -0.632 17948 58 1 1 . 1 1 17 17 LEU N N 17 120.066 120.066 119.464 0.602 17948 59 1 1 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.187 0.147 17948 60 1 1 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.186 -0.286 17948 61 1 1 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.272 0.028 17948 62 1 1 . 1 1 17 17 LEU H H 17 7.901 7.901 7.871 0.030 17948 63 1 1 . 1 1 18 18 LYS N N 18 122.658 122.658 120.991 1.667 17948 64 1 1 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.717 -0.437 17948 65 1 1 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.945 -0.945 17948 66 1 1 . 1 1 18 18 LYS CB C 18 32.637 32.637 33.487 -0.850 17948 67 1 1 . 1 1 18 18 LYS H H 18 8.081 8.081 8.665 -0.584 17948 68 1 1 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.539 -0.112 17948 69 1 1 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.377 -0.077 17948 70 1 1 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.321 -0.421 17948 71 1 1 . 1 1 20 20 ASP N N 20 119.912 119.912 116.818 3.094 17948 72 1 1 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.678 -0.107 17948 73 1 1 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.684 0.816 17948 74 1 1 . 1 1 20 20 ASP CB C 20 40.900 40.900 40.573 0.327 17948 75 1 1 . 1 1 20 20 ASP H H 20 8.398 8.398 8.302 0.096 17948 76 1 1 . 1 1 21 21 SER N N 21 115.552 115.552 115.113 0.439 17948 77 1 1 . 1 1 21 21 SER HA H 21 4.513 4.513 4.219 0.294 17948 78 1 1 . 1 1 21 21 SER CA C 21 58.726 58.726 59.344 -0.618 17948 79 1 1 . 1 1 21 21 SER CB C 21 63.709 63.709 63.546 0.163 17948 80 1 1 . 1 1 21 21 SER H H 21 8.113 8.113 8.041 0.072 17948 81 1 1 . 1 1 22 22 GLN N N 22 119.920 119.920 118.453 1.467 17948 82 1 1 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.531 -0.251 17948 83 1 1 . 1 1 22 22 GLN H H 22 8.224 8.224 8.366 -0.142 17948 84 1 1 . 1 1 23 23 LYS N N 23 121.734 121.734 120.224 1.510 17948 85 1 1 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.741 -0.461 17948 86 1 1 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.158 0.015 17948 87 1 1 . 1 1 23 23 LYS CB C 23 30.593 30.593 33.828 -3.235 17948 88 1 1 . 1 1 23 23 LYS H H 23 8.415 8.415 8.404 0.011 17948 89 1 1 . 1 1 24 24 SER N N 24 126.408 126.408 116.551 9.857 17948 90 1 1 . 1 1 24 24 SER HA H 24 4.510 4.510 4.643 -0.133 17948 91 1 1 . 1 1 24 24 SER CA C 24 57.341 57.341 57.942 -0.601 17948 92 1 1 . 1 1 24 24 SER CB C 24 63.800 63.800 63.410 0.390 17948 93 1 1 . 1 1 24 24 SER H H 24 7.595 7.595 8.635 -1.040 17948 94 1 1 . 1 1 25 25 TYR N N 25 120.790 120.790 122.716 -1.926 17948 95 1 1 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.544 -0.088 17948 96 1 1 . 1 1 25 25 TYR CA C 25 59.736 59.736 57.561 2.175 17948 97 1 1 . 1 1 25 25 TYR CB C 25 38.069 38.069 38.482 -0.413 17948 98 1 1 . 1 1 25 25 TYR H H 25 8.370 8.370 7.990 0.380 17948 99 1 1 . 1 1 26 26 ALA N N 26 122.684 122.684 124.116 -1.432 17948 100 1 1 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.265 -0.101 17948 101 1 1 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.789 1.211 17948 102 1 1 . 1 1 26 26 ALA CB C 26 18.900 18.900 18.696 0.204 17948 103 1 1 . 1 1 26 26 ALA H H 26 8.405 8.405 8.410 -0.005 17948 104 1 1 . 1 1 27 27 GLU N N 27 118.504 118.504 120.687 -2.183 17948 105 1 1 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.524 -0.408 17948 106 1 1 . 1 1 27 27 GLU CA C 27 58.000 58.000 55.782 2.218 17948 107 1 1 . 1 1 27 27 GLU CB C 27 30.000 30.000 30.624 -0.624 17948 108 1 1 . 1 1 27 27 GLU H H 27 7.988 7.988 8.326 -0.338 17948 109 1 1 . 1 1 28 28 GLN N N 28 119.735 119.735 119.586 0.149 17948 110 1 1 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.854 -0.630 17948 111 1 1 . 1 1 28 28 GLN CA C 28 57.600 57.600 54.914 2.686 17948 112 1 1 . 1 1 28 28 GLN CB C 28 29.400 29.400 30.173 -0.773 17948 113 1 1 . 1 1 28 28 GLN H H 28 8.282 8.282 8.841 -0.559 17948 114 1 1 . 1 1 29 29 GLY N N 29 108.734 108.734 107.840 0.894 17948 115 1 1 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.348 1.052 17948 116 1 1 . 1 1 29 29 GLY H H 29 8.645 8.645 8.481 0.164 17948 117 1 1 . 1 1 30 30 LYS N N 30 120.800 120.800 118.936 1.864 17948 118 1 1 . 1 1 30 30 LYS HA H 30 4.280 4.280 3.945 0.335 17948 119 1 1 . 1 1 30 30 LYS CA C 30 57.992 57.992 57.974 0.018 17948 120 1 1 . 1 1 30 30 LYS CB C 30 29.800 29.800 32.014 -2.213 17948 121 1 1 . 1 1 30 30 LYS H H 30 8.140 8.140 8.254 -0.114 17948 122 1 1 . 1 1 31 31 GLU N N 31 119.994 119.994 116.812 3.182 17948 123 1 1 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.170 0.090 17948 124 1 1 . 1 1 31 31 GLU CA C 31 59.400 59.400 57.383 2.017 17948 125 1 1 . 1 1 31 31 GLU CB C 31 32.521 32.521 29.485 3.036 17948 126 1 1 . 1 1 31 31 GLU H H 31 8.039 8.039 8.388 -0.349 17948 127 1 1 . 1 1 32 32 TYR N N 32 119.254 119.254 118.516 0.738 17948 128 1 1 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.679 -0.049 17948 129 1 1 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.919 0.101 17948 130 1 1 . 1 1 32 32 TYR CB C 32 39.160 39.160 40.953 -1.793 17948 131 1 1 . 1 1 32 32 TYR H H 32 7.994 7.994 8.481 -0.487 17948 132 1 1 . 1 1 33 33 ILE N N 33 121.600 121.600 121.843 -0.243 17948 133 1 1 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.012 0.012 17948 134 1 1 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.857 0.243 17948 135 1 1 . 1 1 33 33 ILE CB C 33 38.300 38.300 37.369 0.931 17948 136 1 1 . 1 1 33 33 ILE H H 33 8.260 8.260 8.304 -0.044 17948 137 1 1 . 1 1 34 34 THR N N 34 115.849 115.849 116.758 -0.909 17948 138 1 1 . 1 1 34 34 THR HA H 34 4.480 4.480 4.734 -0.254 17948 139 1 1 . 1 1 34 34 THR CA C 34 63.600 63.600 60.312 3.288 17948 140 1 1 . 1 1 34 34 THR CB C 34 69.300 69.300 71.039 -1.739 17948 141 1 1 . 1 1 34 34 THR H H 34 8.082 8.082 7.877 0.205 17948 142 1 1 . 1 1 35 35 ASP N N 35 122.190 122.190 120.775 1.415 17948 143 1 1 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.717 -0.163 17948 144 1 1 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.059 1.341 17948 145 1 1 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.666 -0.166 17948 146 1 1 . 1 1 35 35 ASP H H 35 8.102 8.102 8.178 -0.076 17948 147 1 1 . 1 1 36 36 LYS N N 36 119.451 119.451 119.371 0.080 17948 148 1 1 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.381 -0.171 17948 149 1 1 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.157 1.343 17948 150 1 1 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.405 -1.905 17948 151 1 1 . 1 1 36 36 LYS H H 36 7.983 7.983 8.256 -0.273 17948 152 1 1 . 1 1 37 37 ALA N N 37 123.038 123.038 123.369 -0.331 17948 153 1 1 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.087 0.094 17948 154 1 1 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.804 0.796 17948 155 1 1 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.109 -0.309 17948 156 1 1 . 1 1 37 37 ALA H H 37 8.241 8.241 8.244 -0.003 17948 157 1 1 . 1 1 38 38 ASP N N 38 118.323 118.323 120.332 -2.009 17948 158 1 1 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.574 -0.070 17948 159 1 1 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.323 0.777 17948 160 1 1 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.972 -0.972 17948 161 1 1 . 1 1 38 38 ASP H H 38 8.144 8.144 8.440 -0.296 17948 162 1 1 . 1 1 39 39 LYS N N 39 120.011 120.011 119.949 0.062 17948 163 1 1 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.157 0.118 17948 164 1 1 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.669 0.231 17948 165 1 1 . 1 1 39 39 LYS CB C 39 32.754 32.754 31.871 0.883 17948 166 1 1 . 1 1 39 39 LYS H H 39 7.960 7.960 8.252 -0.292 17948 167 1 1 . 1 1 40 40 VAL N N 40 119.113 119.113 116.636 2.477 17948 168 1 1 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.261 -0.217 17948 169 1 1 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.479 0.421 17948 170 1 1 . 1 1 40 40 VAL CB C 40 32.500 32.500 31.865 0.635 17948 171 1 1 . 1 1 40 40 VAL H H 40 7.948 7.948 7.871 0.077 17948 172 1 1 . 1 1 41 41 ALA N N 41 125.220 125.220 124.135 1.085 17948 173 1 1 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.296 -0.002 17948 174 1 1 . 1 1 41 41 ALA CA C 41 52.900 52.900 52.969 -0.069 17948 175 1 1 . 1 1 41 41 ALA CB C 41 19.100 19.100 19.316 -0.216 17948 176 1 1 . 1 1 41 41 ALA H H 41 8.168 8.168 8.042 0.126 17948 177 1 1 . 1 1 42 42 GLY N N 42 107.007 107.007 107.585 -0.578 17948 178 1 1 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.521 0.879 17948 179 1 1 . 1 1 42 42 GLY H H 42 8.130 8.130 8.118 0.012 17948 180 1 1 . 1 1 43 43 LYS N N 43 122.310 122.310 122.426 -0.116 17948 181 1 1 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.627 -0.256 17948 182 1 1 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.644 0.356 17948 183 1 1 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.762 -0.762 17948 184 1 1 . 1 1 43 43 LYS H H 43 8.253 8.253 8.049 0.204 17948 185 1 1 . 1 1 44 44 VAL N N 44 120.734 120.734 119.122 1.612 17948 186 1 1 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.217 -0.077 17948 187 1 1 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.962 -0.963 17948 188 1 1 . 1 1 44 44 VAL CB C 44 32.700 32.700 34.088 -1.388 17948 189 1 1 . 1 1 44 44 VAL H H 44 8.026 8.026 8.276 -0.250 17948 190 1 1 . 1 1 45 45 GLN N N 45 124.893 124.893 125.009 -0.116 17948 191 1 1 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.884 -0.604 17948 192 1 1 . 1 1 45 45 GLN CA C 45 53.400 53.400 52.759 0.641 17948 193 1 1 . 1 1 45 45 GLN CB C 45 29.000 29.000 30.105 -1.105 17948 194 1 1 . 1 1 45 45 GLN H H 45 8.385 8.385 8.554 -0.169 17948 195 1 1 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.459 -0.288 17948 196 1 1 . 1 1 46 46 PRO CA C 46 61.800 61.800 62.822 -1.022 17948 197 1 1 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.138 0.791 17948 198 1 1 . 1 1 47 47 GLU N N 47 123.526 123.526 119.060 4.466 17948 199 1 1 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.401 -0.141 17948 200 1 1 . 1 1 47 47 GLU CA C 47 56.200 56.200 55.727 0.473 17948 201 1 1 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.691 0.009 17948 202 1 1 . 1 1 47 47 GLU H H 47 8.039 8.039 8.207 -0.168 17948 203 1 1 . 1 1 48 48 ASP N N 48 122.131 122.131 121.155 0.976 17948 204 1 1 . 1 1 48 48 ASP HA H 48 4.598 4.598 5.173 -0.575 17948 205 1 1 . 1 1 48 48 ASP CA C 48 56.330 56.330 53.658 2.671 17948 206 1 1 . 1 1 48 48 ASP CB C 48 30.700 30.700 42.691 -11.991 17948 207 1 1 . 1 1 48 48 ASP H H 48 8.402 8.402 8.759 -0.357 17948 208 1 1 . 1 1 49 49 ASN N N 49 121.154 121.154 119.671 1.483 17948 209 1 1 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.779 -0.079 17948 210 1 1 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.782 -2.183 17948 211 1 1 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.433 2.140 17948 212 1 1 . 1 1 49 49 ASN H H 49 8.338 8.338 8.836 -0.498 17948 213 1 1 . 1 1 50 50 LYS N N 50 120.660 120.660 121.802 -1.142 17948 214 1 1 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.520 -0.221 17948 215 1 1 . 1 1 50 50 LYS H H 50 8.247 8.247 8.273 -0.026 17948 216 1 1 . 1 1 51 51 GLY N N 51 108.915 108.915 112.149 -3.234 17948 217 1 1 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.434 -0.033 17948 218 1 1 . 1 1 51 51 GLY H H 51 8.320 8.320 8.519 -0.199 17948 219 1 1 . 1 1 52 52 VAL N N 52 118.906 118.906 122.143 -3.237 17948 220 1 1 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.193 -0.147 17948 221 1 1 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.159 1.241 17948 222 1 1 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.895 -1.395 17948 223 1 1 . 1 1 52 52 VAL H H 52 7.836 7.836 7.853 -0.017 17948 224 1 1 . 1 1 53 53 PHE N N 53 123.002 123.002 126.066 -3.064 17948 225 1 1 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.893 -0.245 17948 226 1 1 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.172 -0.572 17948 227 1 1 . 1 1 53 53 PHE CB C 53 39.400 39.400 39.321 0.080 17948 228 1 1 . 1 1 53 53 PHE H H 53 8.284 8.284 8.719 -0.435 17948 229 1 1 . 1 1 54 54 GLN N N 54 122.278 122.278 119.012 3.266 17948 230 1 1 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.445 -0.132 17948 231 1 1 . 1 1 54 54 GLN CA C 54 55.800 55.800 54.663 1.137 17948 232 1 1 . 1 1 54 54 GLN CB C 54 29.500 29.500 30.740 -1.240 17948 233 1 1 . 1 1 54 54 GLN H H 54 8.223 8.223 7.830 0.393 17948 234 1 1 . 1 1 55 55 GLY N N 55 109.285 109.285 108.633 0.652 17948 235 1 1 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.208 -0.007 17948 236 1 1 . 1 1 55 55 GLY H H 55 7.900 7.900 8.253 -0.353 17948 237 1 1 . 1 1 56 56 VAL H H 56 7.898 7.898 7.705 0.193 17948 238 1 1 . 1 1 57 57 HIS N N 57 120.411 120.411 118.509 1.902 17948 239 1 1 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.714 -0.465 17948 240 1 1 . 1 1 57 57 HIS H H 57 8.529 8.529 8.358 0.171 17948 241 1 1 . 1 1 58 58 ASP N N 58 120.960 120.960 121.661 -0.701 17948 242 1 1 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.900 -0.290 17948 243 1 1 . 1 1 58 58 ASP H H 58 8.234 8.234 8.175 0.059 17948 244 1 1 . 1 1 59 59 SER N N 59 116.391 116.391 116.256 0.135 17948 245 1 1 . 1 1 59 59 SER HA H 59 4.398 4.398 4.499 -0.101 17948 246 1 1 . 1 1 59 59 SER CA C 59 58.500 58.500 58.891 -0.391 17948 247 1 1 . 1 1 59 59 SER CB C 59 63.700 63.700 64.365 -0.665 17948 248 1 1 . 1 1 59 59 SER H H 59 8.248 8.248 8.701 -0.453 17948 249 1 1 . 1 1 60 60 ALA N N 60 125.620 125.620 123.023 2.597 17948 250 1 1 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.690 -0.382 17948 251 1 1 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.212 0.588 17948 252 1 1 . 1 1 60 60 ALA CB C 60 19.161 19.161 20.287 -1.126 17948 253 1 1 . 1 1 60 60 ALA H H 60 8.290 8.290 8.047 0.243 17948 254 1 1 . 1 1 61 61 GLU N N 61 119.550 119.550 121.229 -1.679 17948 255 1 1 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.583 -0.332 17948 256 1 1 . 1 1 61 61 GLU CA C 61 56.600 56.600 54.987 1.613 17948 257 1 1 . 1 1 61 61 GLU CB C 61 30.100 30.100 31.786 -1.686 17948 258 1 1 . 1 1 61 61 GLU H H 61 8.206 8.206 8.365 -0.159 17948 259 1 1 . 1 1 62 62 LYS N N 62 122.003 122.003 120.922 1.081 17948 260 1 1 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.367 -0.067 17948 261 1 1 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.754 0.046 17948 262 1 1 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.557 0.343 17948 263 1 1 . 1 1 62 62 LYS H H 62 8.157 8.157 8.504 -0.347 17948 264 1 1 . 1 1 63 63 GLY N N 63 109.728 109.728 111.900 -2.172 17948 265 1 1 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.836 0.464 17948 266 1 1 . 1 1 63 63 GLY H H 63 8.371 8.371 8.314 0.057 17948 267 1 1 . 1 1 64 64 LYS N N 64 120.537 120.537 120.705 -0.168 17948 268 1 1 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.523 -0.183 17948 269 1 1 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.746 -0.546 17948 270 1 1 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.417 -0.417 17948 271 1 1 . 1 1 64 64 LYS H H 64 8.078 8.078 7.906 0.172 17948 272 1 1 . 1 1 65 65 ASP N N 65 120.981 120.981 121.357 -0.376 17948 273 1 1 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.537 0.053 17948 274 1 1 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.347 -0.047 17948 275 1 1 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.017 0.183 17948 276 1 1 . 1 1 65 65 ASP H H 65 8.336 8.336 8.587 -0.251 17948 277 1 1 . 1 1 66 66 ASN N N 66 119.056 119.056 120.644 -1.588 17948 278 1 1 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.599 0.092 17948 279 1 1 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.702 -0.502 17948 280 1 1 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.338 -0.338 17948 281 1 1 . 1 1 66 66 ASN H H 66 8.280 8.280 8.194 0.086 17948 282 1 1 . 1 1 67 67 ALA N N 67 124.164 124.164 121.992 2.172 17948 283 1 1 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.173 0.140 17948 284 1 1 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.602 0.122 17948 285 1 1 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.045 0.126 17948 286 1 1 . 1 1 67 67 ALA H H 67 8.248 8.248 8.316 -0.068 17948 287 1 1 . 1 1 68 68 GLU N N 68 119.599 119.599 119.045 0.554 17948 288 1 1 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.308 -0.026 17948 289 1 1 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.990 0.822 17948 290 1 1 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.073 -0.947 17948 291 1 1 . 1 1 68 68 GLU H H 68 8.295 8.295 8.485 -0.190 17948 292 1 1 . 1 1 69 69 GLY N N 69 109.616 109.616 108.546 1.070 17948 293 1 1 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.317 0.123 17948 294 1 1 . 1 1 69 69 GLY H H 69 8.348 8.348 8.230 0.118 17948 295 1 1 . 1 1 70 70 GLN N N 70 119.476 119.476 120.645 -1.169 17948 296 1 1 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.218 0.170 17948 297 1 1 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.870 -1.010 17948 298 1 1 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.157 0.343 17948 299 1 1 . 1 1 70 70 GLN H H 70 8.200 8.200 8.313 -0.113 17948 300 1 1 . 1 1 71 71 GLY N N 71 109.928 109.928 108.001 1.927 17948 301 1 1 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.386 0.974 17948 302 1 1 . 1 1 71 71 GLY H H 71 8.438 8.438 8.050 0.388 17948 303 1 1 . 1 1 72 72 GLU N N 72 120.438 120.438 120.816 -0.378 17948 304 1 1 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.445 -0.047 17948 305 1 1 . 1 1 72 72 GLU CA C 72 56.400 56.400 57.032 -0.632 17948 306 1 1 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.747 0.953 17948 307 1 1 . 1 1 72 72 GLU H H 72 8.296 8.296 8.639 -0.343 17948 308 1 1 . 1 1 73 73 SER N N 73 117.699 117.699 114.758 2.941 17948 309 1 1 . 1 1 73 73 SER HA H 73 4.601 4.601 4.413 0.188 17948 310 1 1 . 1 1 73 73 SER CA C 73 58.011 58.011 58.454 -0.443 17948 311 1 1 . 1 1 73 73 SER CB C 73 64.816 64.816 63.668 1.148 17948 312 1 1 . 1 1 73 73 SER H H 73 8.666 8.666 7.869 0.797 17948 313 1 1 . 1 1 74 74 LEU N N 74 125.422 125.422 124.280 1.142 17948 314 1 1 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.212 0.029 17948 315 1 1 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.640 1.083 17948 316 1 1 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.467 0.688 17948 317 1 1 . 1 1 74 74 LEU H H 74 8.899 8.899 8.465 0.434 17948 318 1 1 . 1 1 75 75 ALA N N 75 120.685 120.685 122.107 -1.422 17948 319 1 1 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.906 0.115 17948 320 1 1 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.176 -0.376 17948 321 1 1 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.211 0.389 17948 322 1 1 . 1 1 75 75 ALA H H 75 8.389 8.389 8.276 0.113 17948 323 1 1 . 1 1 76 76 ASP N N 76 117.754 117.754 118.491 -0.737 17948 324 1 1 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.374 0.060 17948 325 1 1 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.738 -1.038 17948 326 1 1 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.972 -0.290 17948 327 1 1 . 1 1 76 76 ASP H H 76 7.777 7.777 7.775 0.002 17948 328 1 1 . 1 1 77 77 GLN N N 77 119.402 119.402 118.740 0.662 17948 329 1 1 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.017 0.204 17948 330 1 1 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.561 -0.717 17948 331 1 1 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.540 1.062 17948 332 1 1 . 1 1 77 77 GLN H H 77 8.038 8.038 7.778 0.260 17948 333 1 1 . 1 1 78 78 ALA N N 78 121.376 121.376 122.392 -1.016 17948 334 1 1 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.148 0.023 17948 335 1 1 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.794 -0.244 17948 336 1 1 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.260 0.594 17948 337 1 1 . 1 1 78 78 ALA H H 78 8.427 8.427 8.255 0.172 17948 338 1 1 . 1 1 79 79 ARG N N 79 117.905 117.905 118.961 -1.056 17948 339 1 1 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.054 -0.036 17948 340 1 1 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.667 0.626 17948 341 1 1 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.751 0.408 17948 342 1 1 . 1 1 79 79 ARG H H 79 8.031 8.031 7.918 0.113 17948 343 1 1 . 1 1 80 80 ASP N N 80 120.290 120.290 119.924 0.366 17948 344 1 1 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.467 0.094 17948 345 1 1 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.767 -1.491 17948 346 1 1 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.055 -0.555 17948 347 1 1 . 1 1 80 80 ASP H H 80 8.126 8.126 7.983 0.143 17948 348 1 1 . 1 1 81 81 TYR N N 81 120.191 120.191 120.106 0.085 17948 349 1 1 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.312 0.028 17948 350 1 1 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.642 0.477 17948 351 1 1 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.689 -0.189 17948 352 1 1 . 1 1 81 81 TYR H H 81 8.250 8.250 7.629 0.621 17948 353 1 1 . 1 1 82 82 MET N N 82 117.996 117.996 118.837 -0.841 17948 354 1 1 . 1 1 82 82 MET HA H 82 4.222 4.222 3.966 0.256 17948 355 1 1 . 1 1 82 82 MET CA C 82 58.618 58.618 59.757 -1.139 17948 356 1 1 . 1 1 82 82 MET CB C 82 32.875 32.875 32.274 0.601 17948 357 1 1 . 1 1 82 82 MET H H 82 8.354 8.354 8.607 -0.253 17948 358 1 1 . 1 1 83 83 GLY N N 83 106.902 106.902 104.639 2.263 17948 359 1 1 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.183 0.017 17948 360 1 1 . 1 1 83 83 GLY H H 83 8.365 8.365 7.808 0.557 17948 361 1 1 . 1 1 84 84 ALA N N 84 124.830 124.830 123.267 1.563 17948 362 1 1 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.272 0.046 17948 363 1 1 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.842 0.436 17948 364 1 1 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.185 0.384 17948 365 1 1 . 1 1 84 84 ALA H H 84 7.950 7.950 7.267 0.683 17948 366 1 1 . 1 1 85 85 ALA N N 85 120.542 120.542 121.143 -0.601 17948 367 1 1 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.904 0.133 17948 368 1 1 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.882 0.097 17948 369 1 1 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.180 0.320 17948 370 1 1 . 1 1 85 85 ALA H H 85 8.274 8.274 8.044 0.230 17948 371 1 1 . 1 1 86 86 LYS N N 86 116.920 116.920 119.050 -2.130 17948 372 1 1 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.042 -0.155 17948 373 1 1 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.714 1.346 17948 374 1 1 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.669 0.631 17948 375 1 1 . 1 1 86 86 LYS H H 86 8.265 8.265 7.571 0.694 17948 376 1 1 . 1 1 87 87 SER N N 87 113.664 113.664 115.522 -1.858 17948 377 1 1 . 1 1 87 87 SER HA H 87 4.312 4.312 4.153 0.159 17948 378 1 1 . 1 1 87 87 SER CA C 87 61.330 61.330 61.804 -0.474 17948 379 1 1 . 1 1 87 87 SER CB C 87 62.900 62.900 62.966 -0.066 17948 380 1 1 . 1 1 87 87 SER H H 87 7.926 7.926 7.752 0.174 17948 381 1 1 . 1 1 88 88 LYS N N 88 120.310 120.310 120.958 -0.648 17948 382 1 1 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.043 0.343 17948 383 1 1 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.059 -1.715 17948 384 1 1 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.344 -0.545 17948 385 1 1 . 1 1 88 88 LYS H H 88 7.859 7.859 7.704 0.155 17948 386 1 1 . 1 1 89 89 LEU N N 89 119.648 119.648 121.618 -1.970 17948 387 1 1 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.950 0.151 17948 388 1 1 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.722 0.345 17948 389 1 1 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.918 0.582 17948 390 1 1 . 1 1 89 89 LEU H H 89 8.158 8.158 7.788 0.370 17948 391 1 1 . 1 1 90 90 ASN N N 90 117.422 117.422 117.136 0.286 17948 392 1 1 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.332 0.066 17948 393 1 1 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.857 0.202 17948 394 1 1 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.291 0.209 17948 395 1 1 . 1 1 90 90 ASN H H 90 8.240 8.240 7.894 0.346 17948 396 1 1 . 1 1 91 91 ASP N N 91 119.945 119.945 118.930 1.015 17948 397 1 1 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.406 0.035 17948 398 1 1 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.667 -0.323 17948 399 1 1 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.702 -0.402 17948 400 1 1 . 1 1 91 91 ASP H H 91 8.111 8.111 7.531 0.580 17948 401 1 1 . 1 1 92 92 ALA N N 92 123.226 123.226 122.557 0.669 17948 402 1 1 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.163 0.011 17948 403 1 1 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.858 0.515 17948 404 1 1 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.433 -0.133 17948 405 1 1 . 1 1 92 92 ALA H H 92 8.240 8.240 7.459 0.781 17948 406 1 1 . 1 1 93 93 VAL N N 93 117.940 117.940 119.443 -1.503 17948 407 1 1 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.603 -0.004 17948 408 1 1 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.678 0.215 17948 409 1 1 . 1 1 93 93 VAL CB C 93 31.613 31.613 30.715 0.898 17948 410 1 1 . 1 1 93 93 VAL H H 93 8.410 8.410 8.153 0.257 17948 411 1 1 . 1 1 94 94 GLU N N 94 120.610 120.610 119.131 1.479 17948 412 1 1 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.939 0.111 17948 413 1 1 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.479 0.121 17948 414 1 1 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.491 0.109 17948 415 1 1 . 1 1 94 94 GLU H H 94 8.289 8.289 7.880 0.409 17948 416 1 1 . 1 1 95 95 TYR N N 95 120.241 120.241 119.270 0.971 17948 417 1 1 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.174 0.096 17948 418 1 1 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.874 -0.574 17948 419 1 1 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.693 0.007 17948 420 1 1 . 1 1 95 95 TYR H H 95 8.186 8.186 7.381 0.805 17948 421 1 1 . 1 1 96 96 VAL N N 96 116.942 116.942 118.516 -1.574 17948 422 1 1 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.616 -0.070 17948 423 1 1 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.390 -0.320 17948 424 1 1 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.398 0.347 17948 425 1 1 . 1 1 96 96 VAL H H 96 8.394 8.394 8.206 0.188 17948 426 1 1 . 1 1 97 97 SER N N 97 113.924 113.924 114.786 -0.862 17948 427 1 1 . 1 1 97 97 SER HA H 97 4.145 4.145 4.195 -0.050 17948 428 1 1 . 1 1 97 97 SER CA C 97 61.393 61.393 61.190 0.203 17948 429 1 1 . 1 1 97 97 SER CB C 97 63.415 63.415 62.459 0.956 17948 430 1 1 . 1 1 97 97 SER H H 97 8.433 8.433 8.602 -0.169 17948 431 1 1 . 1 1 98 98 GLY N N 98 107.509 107.509 108.460 -0.951 17948 432 1 1 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.142 0.156 17948 433 1 1 . 1 1 98 98 GLY H H 98 7.899 7.899 7.464 0.435 17948 434 1 1 . 1 1 99 99 ARG N N 99 119.471 119.471 120.902 -1.431 17948 435 1 1 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.248 0.020 17948 436 1 1 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.788 -0.260 17948 437 1 1 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.342 -0.042 17948 438 1 1 . 1 1 99 99 ARG H H 99 7.696 7.696 7.580 0.116 17948 439 1 1 . 1 1 100 100 VAL N N 100 117.316 117.316 119.428 -2.112 17948 440 1 1 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.738 0.222 17948 441 1 1 . 1 1 100 100 VAL CA C 100 63.400 63.400 65.068 -1.668 17948 442 1 1 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.778 0.542 17948 443 1 1 . 1 1 100 100 VAL H H 100 7.906 7.906 7.410 0.496 17948 444 1 1 . 1 1 101 101 HIS N N 101 119.155 119.155 118.806 0.349 17948 445 1 1 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.263 0.438 17948 446 1 1 . 1 1 101 101 HIS CA C 101 56.200 56.200 58.027 -1.827 17948 447 1 1 . 1 1 101 101 HIS CB C 101 30.048 30.048 29.422 0.626 17948 448 1 1 . 1 1 101 101 HIS H H 101 8.130 8.130 7.850 0.280 17948 449 1 1 . 1 1 102 102 GLY N N 102 109.145 109.145 106.747 2.398 17948 450 1 1 . 1 1 102 102 GLY CA C 102 45.333 45.333 46.397 -1.063 17948 451 1 1 . 1 1 102 102 GLY H H 102 8.086 8.086 7.697 0.389 17948 452 1 1 . 1 1 103 103 GLU N N 103 119.345 119.345 119.426 -0.081 17948 453 1 1 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.485 -0.155 17948 454 1 1 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.259 6.041 17948 455 1 1 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.187 2.567 17948 456 1 1 . 1 1 103 103 GLU H H 103 7.932 7.932 7.814 0.118 17948 457 1 1 . 1 1 104 104 GLU N N 104 122.105 122.105 120.053 2.052 17948 458 1 1 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.553 -0.281 17948 459 1 1 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.034 0.198 17948 460 1 1 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.960 -1.460 17948 461 1 1 . 1 1 104 104 GLU H H 104 8.325 8.325 7.768 0.557 17948 462 1 1 . 1 1 105 105 ASP N N 105 124.188 124.188 121.249 2.939 17948 463 1 1 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.982 -0.372 17948 464 1 1 . 1 1 105 105 ASP CA C 105 54.520 54.520 50.785 3.735 17948 465 1 1 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.084 -0.384 17948 466 1 1 . 1 1 105 105 ASP H H 105 8.077 8.077 8.516 -0.439 17948 467 1 1 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.495 -0.011 17948 468 1 1 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.511 1.313 17948 469 1 1 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.570 -0.370 17948 470 1 1 . 1 1 107 107 THR N N 107 111.950 111.950 113.983 -2.033 17948 471 1 1 . 1 1 107 107 THR HA H 107 4.273 4.273 4.344 -0.071 17948 472 1 1 . 1 1 107 107 THR CA C 107 62.700 62.700 61.900 0.800 17948 473 1 1 . 1 1 107 107 THR CB C 107 69.400 69.400 69.210 0.190 17948 474 1 1 . 1 1 107 107 THR H H 107 8.339 8.339 8.324 0.015 17948 475 1 1 . 1 1 108 108 LYS N N 108 123.349 123.349 123.564 -0.215 17948 476 1 1 . 1 1 108 108 LYS HA H 108 4.357 4.357 3.832 0.525 17948 477 1 1 . 1 1 108 108 LYS CA C 108 56.000 56.000 57.216 -1.216 17948 478 1 1 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.683 0.117 17948 479 1 1 . 1 1 108 108 LYS H H 108 7.727 7.727 8.670 -0.943 17948 480 1 2 . 1 1 3 3 ASP HA H 3 4.610 4.610 5.376 -0.766 17948 481 1 2 . 1 1 3 3 ASP H H 3 8.330 8.330 8.961 -0.631 17948 482 1 2 . 1 1 4 4 ALA N N 4 124.218 124.218 122.009 2.209 17948 483 1 2 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.654 -0.394 17948 484 1 2 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.971 1.029 17948 485 1 2 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.888 -0.923 17948 486 1 2 . 1 1 4 4 ALA H H 4 8.180 8.180 8.412 -0.232 17948 487 1 2 . 1 1 5 5 GLY N N 5 107.349 107.349 106.549 0.800 17948 488 1 2 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.336 -0.236 17948 489 1 2 . 1 1 5 5 GLY H H 5 8.344 8.344 8.068 0.276 17948 490 1 2 . 1 1 6 6 ARG N N 6 119.351 119.351 119.998 -0.647 17948 491 1 2 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.894 -0.624 17948 492 1 2 . 1 1 6 6 ARG H H 6 7.971 7.971 8.753 -0.782 17948 493 1 2 . 1 1 7 7 LYS N N 7 122.700 122.700 120.473 2.227 17948 494 1 2 . 1 1 7 7 LYS HA H 7 4.280 4.280 5.190 -0.910 17948 495 1 2 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.802 0.598 17948 496 1 2 . 1 1 7 7 LYS CB C 7 32.900 32.900 35.349 -2.449 17948 497 1 2 . 1 1 7 7 LYS H H 7 8.034 8.034 9.072 -1.038 17948 498 1 2 . 1 1 8 8 GLY H H 8 8.340 8.340 8.691 -0.351 17948 499 1 2 . 1 1 9 9 PHE N N 9 122.017 122.017 119.475 2.542 17948 500 1 2 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.487 -0.867 17948 501 1 2 . 1 1 9 9 PHE CA C 9 56.000 56.000 57.099 -1.099 17948 502 1 2 . 1 1 9 9 PHE CB C 9 39.950 39.950 40.706 -0.756 17948 503 1 2 . 1 1 9 9 PHE H H 9 8.093 8.093 8.926 -0.833 17948 504 1 2 . 1 1 10 10 GLY N N 10 120.389 120.389 109.013 11.376 17948 505 1 2 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.455 1.099 17948 506 1 2 . 1 1 10 10 GLY H H 10 7.996 7.996 9.206 -1.210 17948 507 1 2 . 1 1 11 11 GLU N N 11 120.847 120.847 119.598 1.249 17948 508 1 2 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.708 -0.448 17948 509 1 2 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.092 0.969 17948 510 1 2 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.936 -0.736 17948 511 1 2 . 1 1 11 11 GLU H H 11 8.168 8.168 8.472 -0.304 17948 512 1 2 . 1 1 12 12 LYS N N 12 121.524 121.524 120.581 0.943 17948 513 1 2 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.355 -0.075 17948 514 1 2 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.477 0.075 17948 515 1 2 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.452 -0.652 17948 516 1 2 . 1 1 12 12 LYS H H 12 8.273 8.273 8.335 -0.062 17948 517 1 2 . 1 1 13 13 ALA N N 13 124.765 124.765 125.665 -0.900 17948 518 1 2 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.239 0.021 17948 519 1 2 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.422 0.634 17948 520 1 2 . 1 1 13 13 ALA CB C 13 18.900 18.900 18.619 0.281 17948 521 1 2 . 1 1 13 13 ALA H H 13 8.288 8.288 8.229 0.059 17948 522 1 2 . 1 1 14 14 SER N N 14 114.047 114.047 116.660 -2.613 17948 523 1 2 . 1 1 14 14 SER HA H 14 4.342 4.342 4.746 -0.404 17948 524 1 2 . 1 1 14 14 SER CA C 14 58.918 58.918 57.847 1.071 17948 525 1 2 . 1 1 14 14 SER CB C 14 63.539 63.539 64.620 -1.081 17948 526 1 2 . 1 1 14 14 SER H H 14 8.145 8.145 8.346 -0.201 17948 527 1 2 . 1 1 15 15 GLU N N 15 122.145 122.145 120.453 1.692 17948 528 1 2 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.999 -0.739 17948 529 1 2 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.752 -7.735 17948 530 1 2 . 1 1 15 15 GLU CB C 15 30.341 30.341 31.689 -1.348 17948 531 1 2 . 1 1 15 15 GLU H H 15 8.223 8.223 8.771 -0.548 17948 532 1 2 . 1 1 16 16 ALA N N 16 123.491 123.491 123.237 0.254 17948 533 1 2 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.973 -0.689 17948 534 1 2 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.626 0.874 17948 535 1 2 . 1 1 16 16 ALA CB C 16 19.200 19.200 20.916 -1.716 17948 536 1 2 . 1 1 16 16 ALA H H 16 8.033 8.033 8.431 -0.398 17948 537 1 2 . 1 1 17 17 LEU N N 17 120.066 120.066 120.259 -0.193 17948 538 1 2 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.642 -0.308 17948 539 1 2 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.703 -0.803 17948 540 1 2 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.636 -0.336 17948 541 1 2 . 1 1 17 17 LEU H H 17 7.901 7.901 8.672 -0.771 17948 542 1 2 . 1 1 18 18 LYS N N 18 122.658 122.658 122.015 0.643 17948 543 1 2 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.621 -0.341 17948 544 1 2 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.772 -0.772 17948 545 1 2 . 1 1 18 18 LYS CB C 18 32.637 32.637 33.451 -0.814 17948 546 1 2 . 1 1 18 18 LYS H H 18 8.081 8.081 7.879 0.202 17948 547 1 2 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.530 -0.103 17948 548 1 2 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.095 0.205 17948 549 1 2 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.105 -0.205 17948 550 1 2 . 1 1 20 20 ASP N N 20 119.912 119.912 120.643 -0.731 17948 551 1 2 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.419 0.152 17948 552 1 2 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.989 -0.489 17948 553 1 2 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.386 -0.486 17948 554 1 2 . 1 1 20 20 ASP H H 20 8.398 8.398 8.216 0.182 17948 555 1 2 . 1 1 21 21 SER N N 21 115.552 115.552 112.798 2.754 17948 556 1 2 . 1 1 21 21 SER HA H 21 4.513 4.513 4.442 0.071 17948 557 1 2 . 1 1 21 21 SER CA C 21 58.726 58.726 57.459 1.266 17948 558 1 2 . 1 1 21 21 SER CB C 21 63.709 63.709 64.991 -1.282 17948 559 1 2 . 1 1 21 21 SER H H 21 8.113 8.113 8.245 -0.132 17948 560 1 2 . 1 1 22 22 GLN N N 22 119.920 119.920 119.897 0.023 17948 561 1 2 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.669 -0.389 17948 562 1 2 . 1 1 22 22 GLN H H 22 8.224 8.224 8.486 -0.262 17948 563 1 2 . 1 1 23 23 LYS N N 23 121.734 121.734 120.570 1.164 17948 564 1 2 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.326 -0.046 17948 565 1 2 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.494 -0.321 17948 566 1 2 . 1 1 23 23 LYS CB C 23 30.593 30.593 32.596 -2.003 17948 567 1 2 . 1 1 23 23 LYS H H 23 8.415 8.415 8.710 -0.295 17948 568 1 2 . 1 1 24 24 SER N N 24 126.408 126.408 113.791 12.617 17948 569 1 2 . 1 1 24 24 SER HA H 24 4.510 4.510 4.090 0.420 17948 570 1 2 . 1 1 24 24 SER CA C 24 57.341 57.341 59.049 -1.708 17948 571 1 2 . 1 1 24 24 SER CB C 24 63.800 63.800 63.332 0.468 17948 572 1 2 . 1 1 24 24 SER H H 24 7.595 7.595 7.913 -0.318 17948 573 1 2 . 1 1 25 25 TYR N N 25 120.790 120.790 119.914 0.876 17948 574 1 2 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.931 -0.475 17948 575 1 2 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.394 1.342 17948 576 1 2 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.625 -1.556 17948 577 1 2 . 1 1 25 25 TYR H H 25 8.370 8.370 8.739 -0.369 17948 578 1 2 . 1 1 26 26 ALA N N 26 122.684 122.684 122.253 0.431 17948 579 1 2 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.602 -0.438 17948 580 1 2 . 1 1 26 26 ALA CA C 26 54.000 54.000 53.646 0.354 17948 581 1 2 . 1 1 26 26 ALA CB C 26 18.900 18.900 20.315 -1.415 17948 582 1 2 . 1 1 26 26 ALA H H 26 8.405 8.405 8.838 -0.433 17948 583 1 2 . 1 1 27 27 GLU N N 27 118.504 118.504 117.054 1.450 17948 584 1 2 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.324 -0.208 17948 585 1 2 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.309 1.691 17948 586 1 2 . 1 1 27 27 GLU CB C 27 30.000 30.000 30.573 -0.573 17948 587 1 2 . 1 1 27 27 GLU H H 27 7.988 7.988 8.538 -0.550 17948 588 1 2 . 1 1 28 28 GLN N N 28 119.735 119.735 117.774 1.961 17948 589 1 2 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.177 0.047 17948 590 1 2 . 1 1 28 28 GLN CA C 28 57.600 57.600 56.327 1.273 17948 591 1 2 . 1 1 28 28 GLN CB C 28 29.400 29.400 28.164 1.236 17948 592 1 2 . 1 1 28 28 GLN H H 28 8.282 8.282 8.247 0.035 17948 593 1 2 . 1 1 29 29 GLY N N 29 108.734 108.734 107.605 1.129 17948 594 1 2 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.303 1.097 17948 595 1 2 . 1 1 29 29 GLY H H 29 8.645 8.645 8.378 0.267 17948 596 1 2 . 1 1 30 30 LYS N N 30 120.800 120.800 118.760 2.040 17948 597 1 2 . 1 1 30 30 LYS HA H 30 4.280 4.280 3.767 0.513 17948 598 1 2 . 1 1 30 30 LYS CA C 30 57.992 57.992 57.609 0.383 17948 599 1 2 . 1 1 30 30 LYS CB C 30 29.800 29.800 31.086 -1.286 17948 600 1 2 . 1 1 30 30 LYS H H 30 8.140 8.140 8.256 -0.116 17948 601 1 2 . 1 1 31 31 GLU N N 31 119.994 119.994 117.023 2.971 17948 602 1 2 . 1 1 31 31 GLU HA H 31 4.260 4.260 3.994 0.266 17948 603 1 2 . 1 1 31 31 GLU CA C 31 59.400 59.400 57.455 1.945 17948 604 1 2 . 1 1 31 31 GLU CB C 31 32.521 32.521 29.628 2.893 17948 605 1 2 . 1 1 31 31 GLU H H 31 8.039 8.039 8.079 -0.040 17948 606 1 2 . 1 1 32 32 TYR N N 32 119.254 119.254 117.490 1.764 17948 607 1 2 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.712 -0.082 17948 608 1 2 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.810 0.210 17948 609 1 2 . 1 1 32 32 TYR CB C 32 39.160 39.160 40.700 -1.540 17948 610 1 2 . 1 1 32 32 TYR H H 32 7.994 7.994 8.118 -0.124 17948 611 1 2 . 1 1 33 33 ILE N N 33 121.600 121.600 120.665 0.935 17948 612 1 2 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.537 -0.513 17948 613 1 2 . 1 1 33 33 ILE CA C 33 62.100 62.100 60.870 1.230 17948 614 1 2 . 1 1 33 33 ILE CB C 33 38.300 38.300 40.386 -2.086 17948 615 1 2 . 1 1 33 33 ILE H H 33 8.260 8.260 8.562 -0.302 17948 616 1 2 . 1 1 34 34 THR N N 34 115.849 115.849 118.420 -2.571 17948 617 1 2 . 1 1 34 34 THR HA H 34 4.480 4.480 4.316 0.164 17948 618 1 2 . 1 1 34 34 THR CA C 34 63.600 63.600 62.649 0.951 17948 619 1 2 . 1 1 34 34 THR CB C 34 69.300 69.300 69.369 -0.069 17948 620 1 2 . 1 1 34 34 THR H H 34 8.082 8.082 8.324 -0.242 17948 621 1 2 . 1 1 35 35 ASP N N 35 122.190 122.190 120.866 1.324 17948 622 1 2 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.952 -0.398 17948 623 1 2 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.650 1.750 17948 624 1 2 . 1 1 35 35 ASP CB C 35 41.500 41.500 43.612 -2.112 17948 625 1 2 . 1 1 35 35 ASP H H 35 8.102 8.102 8.684 -0.582 17948 626 1 2 . 1 1 36 36 LYS N N 36 119.451 119.451 120.025 -0.574 17948 627 1 2 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.589 -0.379 17948 628 1 2 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.649 0.851 17948 629 1 2 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.770 -1.270 17948 630 1 2 . 1 1 36 36 LYS H H 36 7.983 7.983 8.289 -0.306 17948 631 1 2 . 1 1 37 37 ALA N N 37 123.038 123.038 122.975 0.063 17948 632 1 2 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.523 -0.342 17948 633 1 2 . 1 1 37 37 ALA CA C 37 53.600 53.600 51.680 1.920 17948 634 1 2 . 1 1 37 37 ALA CB C 37 18.800 18.800 20.330 -1.530 17948 635 1 2 . 1 1 37 37 ALA H H 37 8.241 8.241 8.253 -0.012 17948 636 1 2 . 1 1 38 38 ASP N N 38 118.323 118.323 118.573 -0.250 17948 637 1 2 . 1 1 38 38 ASP HA H 38 4.504 4.504 5.020 -0.516 17948 638 1 2 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.818 1.282 17948 639 1 2 . 1 1 38 38 ASP CB C 38 41.000 41.000 43.194 -2.194 17948 640 1 2 . 1 1 38 38 ASP H H 38 8.144 8.144 8.207 -0.063 17948 641 1 2 . 1 1 39 39 LYS N N 39 120.011 120.011 120.367 -0.356 17948 642 1 2 . 1 1 39 39 LYS HA H 39 4.275 4.275 5.026 -0.751 17948 643 1 2 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.525 1.375 17948 644 1 2 . 1 1 39 39 LYS CB C 39 32.754 32.754 34.758 -2.004 17948 645 1 2 . 1 1 39 39 LYS H H 39 7.960 7.960 8.243 -0.283 17948 646 1 2 . 1 1 40 40 VAL N N 40 119.113 119.113 119.558 -0.445 17948 647 1 2 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.802 -0.758 17948 648 1 2 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.803 1.097 17948 649 1 2 . 1 1 40 40 VAL CB C 40 32.500 32.500 34.300 -1.800 17948 650 1 2 . 1 1 40 40 VAL H H 40 7.948 7.948 8.832 -0.884 17948 651 1 2 . 1 1 41 41 ALA N N 41 125.220 125.220 125.626 -0.406 17948 652 1 2 . 1 1 41 41 ALA HA H 41 4.294 4.294 5.392 -1.098 17948 653 1 2 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.377 1.523 17948 654 1 2 . 1 1 41 41 ALA CB C 41 19.100 19.100 21.649 -2.549 17948 655 1 2 . 1 1 41 41 ALA H H 41 8.168 8.168 9.051 -0.883 17948 656 1 2 . 1 1 42 42 GLY N N 42 107.007 107.007 107.716 -0.709 17948 657 1 2 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.812 0.588 17948 658 1 2 . 1 1 42 42 GLY H H 42 8.130 8.130 8.955 -0.825 17948 659 1 2 . 1 1 43 43 LYS N N 43 122.310 122.310 120.151 2.159 17948 660 1 2 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.920 -0.549 17948 661 1 2 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.437 0.563 17948 662 1 2 . 1 1 43 43 LYS CB C 43 33.000 33.000 34.913 -1.913 17948 663 1 2 . 1 1 43 43 LYS H H 43 8.253 8.253 8.762 -0.509 17948 664 1 2 . 1 1 44 44 VAL N N 44 120.734 120.734 117.782 2.952 17948 665 1 2 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.726 -0.586 17948 666 1 2 . 1 1 44 44 VAL CA C 44 62.000 62.000 61.544 0.456 17948 667 1 2 . 1 1 44 44 VAL CB C 44 32.700 32.700 34.209 -1.509 17948 668 1 2 . 1 1 44 44 VAL H H 44 8.026 8.026 8.721 -0.695 17948 669 1 2 . 1 1 45 45 GLN N N 45 124.893 124.893 119.712 5.181 17948 670 1 2 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.833 -0.553 17948 671 1 2 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.332 -0.932 17948 672 1 2 . 1 1 45 45 GLN CB C 45 29.000 29.000 31.434 -2.434 17948 673 1 2 . 1 1 45 45 GLN H H 45 8.385 8.385 8.894 -0.509 17948 674 1 2 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.455 -0.284 17948 675 1 2 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.005 -1.205 17948 676 1 2 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.675 0.254 17948 677 1 2 . 1 1 47 47 GLU N N 47 123.526 123.526 118.155 5.371 17948 678 1 2 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.247 0.013 17948 679 1 2 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.406 -0.206 17948 680 1 2 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.375 0.325 17948 681 1 2 . 1 1 47 47 GLU H H 47 8.039 8.039 8.369 -0.330 17948 682 1 2 . 1 1 48 48 ASP N N 48 122.131 122.131 121.852 0.279 17948 683 1 2 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.537 0.061 17948 684 1 2 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.581 1.749 17948 685 1 2 . 1 1 48 48 ASP CB C 48 30.700 30.700 40.590 -9.890 17948 686 1 2 . 1 1 48 48 ASP H H 48 8.402 8.402 8.463 -0.061 17948 687 1 2 . 1 1 49 49 ASN N N 49 121.154 121.154 120.563 0.591 17948 688 1 2 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.802 -0.102 17948 689 1 2 . 1 1 49 49 ASN CA C 49 51.600 51.600 52.718 -1.117 17948 690 1 2 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.896 0.677 17948 691 1 2 . 1 1 49 49 ASN H H 49 8.338 8.338 8.313 0.025 17948 692 1 2 . 1 1 50 50 LYS N N 50 120.660 120.660 119.786 0.874 17948 693 1 2 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.874 -0.575 17948 694 1 2 . 1 1 50 50 LYS H H 50 8.247 8.247 8.822 -0.575 17948 695 1 2 . 1 1 51 51 GLY N N 51 108.915 108.915 109.562 -0.647 17948 696 1 2 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.742 0.658 17948 697 1 2 . 1 1 51 51 GLY H H 51 8.320 8.320 8.546 -0.226 17948 698 1 2 . 1 1 52 52 VAL N N 52 118.906 118.906 120.917 -2.011 17948 699 1 2 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.803 -0.757 17948 700 1 2 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.361 1.039 17948 701 1 2 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.968 -1.468 17948 702 1 2 . 1 1 52 52 VAL H H 52 7.836 7.836 8.505 -0.669 17948 703 1 2 . 1 1 53 53 PHE N N 53 123.002 123.002 124.385 -1.383 17948 704 1 2 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.755 -0.107 17948 705 1 2 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.838 -1.238 17948 706 1 2 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.304 -0.904 17948 707 1 2 . 1 1 53 53 PHE H H 53 8.284 8.284 8.930 -0.646 17948 708 1 2 . 1 1 54 54 GLN N N 54 122.278 122.278 120.161 2.117 17948 709 1 2 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.454 -0.141 17948 710 1 2 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.834 -0.034 17948 711 1 2 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.643 -0.143 17948 712 1 2 . 1 1 54 54 GLN H H 54 8.223 8.223 9.044 -0.821 17948 713 1 2 . 1 1 55 55 GLY N N 55 109.285 109.285 109.786 -0.501 17948 714 1 2 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.446 0.754 17948 715 1 2 . 1 1 55 55 GLY H H 55 7.900 7.900 7.922 -0.022 17948 716 1 2 . 1 1 56 56 VAL H H 56 7.898 7.898 8.301 -0.403 17948 717 1 2 . 1 1 57 57 HIS N N 57 120.411 120.411 123.198 -2.787 17948 718 1 2 . 1 1 57 57 HIS HA H 57 4.249 4.249 5.005 -0.756 17948 719 1 2 . 1 1 57 57 HIS H H 57 8.529 8.529 8.871 -0.342 17948 720 1 2 . 1 1 58 58 ASP N N 58 120.960 120.960 119.840 1.120 17948 721 1 2 . 1 1 58 58 ASP HA H 58 4.610 4.610 5.133 -0.523 17948 722 1 2 . 1 1 58 58 ASP H H 58 8.234 8.234 8.785 -0.551 17948 723 1 2 . 1 1 59 59 SER N N 59 116.391 116.391 115.431 0.960 17948 724 1 2 . 1 1 59 59 SER HA H 59 4.398 4.398 5.186 -0.788 17948 725 1 2 . 1 1 59 59 SER CA C 59 58.500 58.500 57.899 0.601 17948 726 1 2 . 1 1 59 59 SER CB C 59 63.700 63.700 64.709 -1.009 17948 727 1 2 . 1 1 59 59 SER H H 59 8.248 8.248 8.688 -0.441 17948 728 1 2 . 1 1 60 60 ALA N N 60 125.620 125.620 123.499 2.121 17948 729 1 2 . 1 1 60 60 ALA HA H 60 4.308 4.308 5.093 -0.785 17948 730 1 2 . 1 1 60 60 ALA CA C 60 52.800 52.800 51.742 1.058 17948 731 1 2 . 1 1 60 60 ALA CB C 60 19.161 19.161 21.296 -2.135 17948 732 1 2 . 1 1 60 60 ALA H H 60 8.290 8.290 8.744 -0.454 17948 733 1 2 . 1 1 61 61 GLU N N 61 119.550 119.550 117.923 1.627 17948 734 1 2 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.594 -0.343 17948 735 1 2 . 1 1 61 61 GLU CA C 61 56.600 56.600 55.887 0.713 17948 736 1 2 . 1 1 61 61 GLU CB C 61 30.100 30.100 30.595 -0.495 17948 737 1 2 . 1 1 61 61 GLU H H 61 8.206 8.206 8.255 -0.049 17948 738 1 2 . 1 1 62 62 LYS N N 62 122.003 122.003 119.333 2.670 17948 739 1 2 . 1 1 62 62 LYS HA H 62 4.300 4.300 5.016 -0.716 17948 740 1 2 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.075 0.725 17948 741 1 2 . 1 1 62 62 LYS CB C 62 32.900 32.900 35.189 -2.289 17948 742 1 2 . 1 1 62 62 LYS H H 62 8.157 8.157 9.040 -0.883 17948 743 1 2 . 1 1 63 63 GLY N N 63 109.728 109.728 109.873 -0.145 17948 744 1 2 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.630 0.670 17948 745 1 2 . 1 1 63 63 GLY H H 63 8.371 8.371 8.693 -0.322 17948 746 1 2 . 1 1 64 64 LYS N N 64 120.537 120.537 119.346 1.191 17948 747 1 2 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.384 -0.044 17948 748 1 2 . 1 1 64 64 LYS CA C 64 56.200 56.200 55.489 0.711 17948 749 1 2 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.851 -0.851 17948 750 1 2 . 1 1 64 64 LYS H H 64 8.078 8.078 8.498 -0.420 17948 751 1 2 . 1 1 65 65 ASP N N 65 120.981 120.981 120.356 0.625 17948 752 1 2 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.506 0.084 17948 753 1 2 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.660 -0.360 17948 754 1 2 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.196 0.004 17948 755 1 2 . 1 1 65 65 ASP H H 65 8.336 8.336 8.250 0.086 17948 756 1 2 . 1 1 66 66 ASN N N 66 119.056 119.056 118.302 0.754 17948 757 1 2 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.817 -0.126 17948 758 1 2 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.153 0.047 17948 759 1 2 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.570 -0.570 17948 760 1 2 . 1 1 66 66 ASN H H 66 8.280 8.280 8.559 -0.279 17948 761 1 2 . 1 1 67 67 ALA N N 67 124.164 124.164 123.132 1.032 17948 762 1 2 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.563 -0.250 17948 763 1 2 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.786 0.938 17948 764 1 2 . 1 1 67 67 ALA CB C 67 19.171 19.171 20.666 -1.495 17948 765 1 2 . 1 1 67 67 ALA H H 67 8.248 8.248 8.194 0.054 17948 766 1 2 . 1 1 68 68 GLU N N 68 119.599 119.599 118.438 1.161 17948 767 1 2 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.552 -0.270 17948 768 1 2 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.335 0.477 17948 769 1 2 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.697 -1.571 17948 770 1 2 . 1 1 68 68 GLU H H 68 8.295 8.295 8.308 -0.013 17948 771 1 2 . 1 1 69 69 GLY N N 69 109.616 109.616 110.500 -0.884 17948 772 1 2 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.693 0.747 17948 773 1 2 . 1 1 69 69 GLY H H 69 8.348 8.348 8.468 -0.120 17948 774 1 2 . 1 1 70 70 GLN N N 70 119.476 119.476 119.417 0.059 17948 775 1 2 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.109 0.279 17948 776 1 2 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.955 -0.095 17948 777 1 2 . 1 1 70 70 GLN CB C 70 29.500 29.500 28.721 0.778 17948 778 1 2 . 1 1 70 70 GLN H H 70 8.200 8.200 8.538 -0.338 17948 779 1 2 . 1 1 71 71 GLY N N 71 109.928 109.928 110.548 -0.620 17948 780 1 2 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.012 0.348 17948 781 1 2 . 1 1 71 71 GLY H H 71 8.438 8.438 8.354 0.084 17948 782 1 2 . 1 1 72 72 GLU N N 72 120.438 120.438 120.294 0.144 17948 783 1 2 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.443 -0.045 17948 784 1 2 . 1 1 72 72 GLU CA C 72 56.400 56.400 55.424 0.976 17948 785 1 2 . 1 1 72 72 GLU CB C 72 30.700 30.700 30.192 0.508 17948 786 1 2 . 1 1 72 72 GLU H H 72 8.296 8.296 7.945 0.351 17948 787 1 2 . 1 1 73 73 SER N N 73 117.699 117.699 115.251 2.448 17948 788 1 2 . 1 1 73 73 SER HA H 73 4.601 4.601 4.249 0.352 17948 789 1 2 . 1 1 73 73 SER CA C 73 58.011 58.011 61.388 -3.377 17948 790 1 2 . 1 1 73 73 SER CB C 73 64.816 64.816 63.137 1.679 17948 791 1 2 . 1 1 73 73 SER H H 73 8.666 8.666 8.404 0.262 17948 792 1 2 . 1 1 74 74 LEU N N 74 125.422 125.422 121.477 3.945 17948 793 1 2 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.202 0.039 17948 794 1 2 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.681 1.042 17948 795 1 2 . 1 1 74 74 LEU CB C 74 42.155 42.155 40.988 1.167 17948 796 1 2 . 1 1 74 74 LEU H H 74 8.899 8.899 8.137 0.762 17948 797 1 2 . 1 1 75 75 ALA N N 75 120.685 120.685 121.442 -0.757 17948 798 1 2 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.983 0.038 17948 799 1 2 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.882 -0.082 17948 800 1 2 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.235 0.365 17948 801 1 2 . 1 1 75 75 ALA H H 75 8.389 8.389 8.133 0.256 17948 802 1 2 . 1 1 76 76 ASP N N 76 117.754 117.754 118.725 -0.971 17948 803 1 2 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.261 0.173 17948 804 1 2 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.321 -0.621 17948 805 1 2 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.548 0.135 17948 806 1 2 . 1 1 76 76 ASP H H 76 7.777 7.777 7.928 -0.151 17948 807 1 2 . 1 1 77 77 GLN N N 77 119.402 119.402 117.899 1.503 17948 808 1 2 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.018 0.203 17948 809 1 2 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.573 -0.729 17948 810 1 2 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.486 1.116 17948 811 1 2 . 1 1 77 77 GLN H H 77 8.038 8.038 7.904 0.134 17948 812 1 2 . 1 1 78 78 ALA N N 78 121.376 121.376 122.639 -1.263 17948 813 1 2 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.168 0.003 17948 814 1 2 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.650 -0.100 17948 815 1 2 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.176 0.678 17948 816 1 2 . 1 1 78 78 ALA H H 78 8.427 8.427 7.412 1.015 17948 817 1 2 . 1 1 79 79 ARG N N 79 117.905 117.905 118.161 -0.256 17948 818 1 2 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.041 -0.023 17948 819 1 2 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.835 0.458 17948 820 1 2 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.587 0.573 17948 821 1 2 . 1 1 79 79 ARG H H 79 8.031 8.031 8.266 -0.235 17948 822 1 2 . 1 1 80 80 ASP N N 80 120.290 120.290 119.866 0.424 17948 823 1 2 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.462 0.099 17948 824 1 2 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.660 -1.384 17948 825 1 2 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.011 -0.511 17948 826 1 2 . 1 1 80 80 ASP H H 80 8.126 8.126 8.117 0.009 17948 827 1 2 . 1 1 81 81 TYR N N 81 120.191 120.191 120.097 0.094 17948 828 1 2 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.306 0.034 17948 829 1 2 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.773 0.346 17948 830 1 2 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.700 -0.201 17948 831 1 2 . 1 1 81 81 TYR H H 81 8.250 8.250 7.622 0.628 17948 832 1 2 . 1 1 82 82 MET N N 82 117.996 117.996 118.876 -0.880 17948 833 1 2 . 1 1 82 82 MET HA H 82 4.222 4.222 3.970 0.252 17948 834 1 2 . 1 1 82 82 MET CA C 82 58.618 58.618 59.749 -1.131 17948 835 1 2 . 1 1 82 82 MET CB C 82 32.875 32.875 32.278 0.597 17948 836 1 2 . 1 1 82 82 MET H H 82 8.354 8.354 8.509 -0.155 17948 837 1 2 . 1 1 83 83 GLY N N 83 106.902 106.902 104.637 2.265 17948 838 1 2 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.192 0.008 17948 839 1 2 . 1 1 83 83 GLY H H 83 8.365 8.365 7.819 0.546 17948 840 1 2 . 1 1 84 84 ALA N N 84 124.830 124.830 123.266 1.564 17948 841 1 2 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.272 0.046 17948 842 1 2 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.842 0.436 17948 843 1 2 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.176 0.393 17948 844 1 2 . 1 1 84 84 ALA H H 84 7.950 7.950 7.263 0.687 17948 845 1 2 . 1 1 85 85 ALA N N 85 120.542 120.542 121.136 -0.594 17948 846 1 2 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.919 0.118 17948 847 1 2 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.892 0.087 17948 848 1 2 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.201 0.298 17948 849 1 2 . 1 1 85 85 ALA H H 85 8.274 8.274 8.055 0.219 17948 850 1 2 . 1 1 86 86 LYS N N 86 116.920 116.920 118.958 -2.038 17948 851 1 2 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.031 -0.144 17948 852 1 2 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.736 1.324 17948 853 1 2 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.644 0.656 17948 854 1 2 . 1 1 86 86 LYS H H 86 8.265 8.265 7.595 0.670 17948 855 1 2 . 1 1 87 87 SER N N 87 113.664 113.664 115.335 -1.671 17948 856 1 2 . 1 1 87 87 SER HA H 87 4.312 4.312 4.141 0.171 17948 857 1 2 . 1 1 87 87 SER CA C 87 61.330 61.330 61.397 -0.067 17948 858 1 2 . 1 1 87 87 SER CB C 87 62.900 62.900 62.923 -0.023 17948 859 1 2 . 1 1 87 87 SER H H 87 7.926 7.926 7.738 0.188 17948 860 1 2 . 1 1 88 88 LYS N N 88 120.310 120.310 120.872 -0.562 17948 861 1 2 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.043 0.343 17948 862 1 2 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.106 -1.762 17948 863 1 2 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.347 -0.548 17948 864 1 2 . 1 1 88 88 LYS H H 88 7.859 7.859 7.698 0.161 17948 865 1 2 . 1 1 89 89 LEU N N 89 119.648 119.648 121.687 -2.039 17948 866 1 2 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.952 0.149 17948 867 1 2 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.781 0.286 17948 868 1 2 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.884 0.616 17948 869 1 2 . 1 1 89 89 LEU H H 89 8.158 8.158 7.818 0.340 17948 870 1 2 . 1 1 90 90 ASN N N 90 117.422 117.422 117.046 0.376 17948 871 1 2 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.367 0.031 17948 872 1 2 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.431 0.628 17948 873 1 2 . 1 1 90 90 ASN CB C 90 38.500 38.500 37.959 0.541 17948 874 1 2 . 1 1 90 90 ASN H H 90 8.240 8.240 7.931 0.309 17948 875 1 2 . 1 1 91 91 ASP N N 91 119.945 119.945 118.638 1.307 17948 876 1 2 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.414 0.027 17948 877 1 2 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.703 -0.359 17948 878 1 2 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.690 -0.390 17948 879 1 2 . 1 1 91 91 ASP H H 91 8.111 8.111 7.568 0.543 17948 880 1 2 . 1 1 92 92 ALA N N 92 123.226 123.226 122.440 0.786 17948 881 1 2 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.166 0.008 17948 882 1 2 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.786 0.587 17948 883 1 2 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.470 -0.170 17948 884 1 2 . 1 1 92 92 ALA H H 92 8.240 8.240 7.456 0.784 17948 885 1 2 . 1 1 93 93 VAL N N 93 117.940 117.940 119.195 -1.255 17948 886 1 2 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.489 0.110 17948 887 1 2 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.097 -0.204 17948 888 1 2 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.531 0.082 17948 889 1 2 . 1 1 93 93 VAL H H 93 8.410 8.410 8.172 0.238 17948 890 1 2 . 1 1 94 94 GLU N N 94 120.610 120.610 119.327 1.283 17948 891 1 2 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.934 0.116 17948 892 1 2 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.638 -0.038 17948 893 1 2 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.479 0.121 17948 894 1 2 . 1 1 94 94 GLU H H 94 8.289 8.289 7.912 0.377 17948 895 1 2 . 1 1 95 95 TYR N N 95 120.241 120.241 118.661 1.580 17948 896 1 2 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.211 0.059 17948 897 1 2 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.753 -0.453 17948 898 1 2 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.679 0.021 17948 899 1 2 . 1 1 95 95 TYR H H 95 8.186 8.186 7.418 0.768 17948 900 1 2 . 1 1 96 96 VAL N N 96 116.942 116.942 118.552 -1.610 17948 901 1 2 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.587 -0.041 17948 902 1 2 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.270 -0.200 17948 903 1 2 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.428 0.317 17948 904 1 2 . 1 1 96 96 VAL H H 96 8.394 8.394 8.178 0.216 17948 905 1 2 . 1 1 97 97 SER N N 97 113.924 113.924 115.142 -1.218 17948 906 1 2 . 1 1 97 97 SER HA H 97 4.145 4.145 4.257 -0.112 17948 907 1 2 . 1 1 97 97 SER CA C 97 61.393 61.393 61.526 -0.133 17948 908 1 2 . 1 1 97 97 SER CB C 97 63.415 63.415 62.772 0.643 17948 909 1 2 . 1 1 97 97 SER H H 97 8.433 8.433 8.641 -0.208 17948 910 1 2 . 1 1 98 98 GLY N N 98 107.509 107.509 108.469 -0.960 17948 911 1 2 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.190 0.108 17948 912 1 2 . 1 1 98 98 GLY H H 98 7.899 7.899 7.525 0.374 17948 913 1 2 . 1 1 99 99 ARG N N 99 119.471 119.471 120.653 -1.182 17948 914 1 2 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.255 0.013 17948 915 1 2 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.856 -0.329 17948 916 1 2 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.132 0.168 17948 917 1 2 . 1 1 99 99 ARG H H 99 7.696 7.696 7.590 0.106 17948 918 1 2 . 1 1 100 100 VAL N N 100 117.316 117.316 118.670 -1.354 17948 919 1 2 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.710 0.250 17948 920 1 2 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.061 -0.661 17948 921 1 2 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.922 0.398 17948 922 1 2 . 1 1 100 100 VAL H H 100 7.906 7.906 7.550 0.356 17948 923 1 2 . 1 1 101 101 HIS N N 101 119.155 119.155 116.791 2.364 17948 924 1 2 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.036 0.665 17948 925 1 2 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.097 -0.897 17948 926 1 2 . 1 1 101 101 HIS CB C 101 30.048 30.048 28.643 1.405 17948 927 1 2 . 1 1 101 101 HIS H H 101 8.130 8.130 7.645 0.485 17948 928 1 2 . 1 1 102 102 GLY N N 102 109.145 109.145 109.708 -0.563 17948 929 1 2 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.643 -0.310 17948 930 1 2 . 1 1 102 102 GLY H H 102 8.086 8.086 8.434 -0.348 17948 931 1 2 . 1 1 103 103 GLU N N 103 119.345 119.345 120.385 -1.040 17948 932 1 2 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.262 0.068 17948 933 1 2 . 1 1 103 103 GLU CA C 103 62.300 62.300 54.714 7.586 17948 934 1 2 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.532 1.222 17948 935 1 2 . 1 1 103 103 GLU H H 103 7.932 7.932 8.374 -0.442 17948 936 1 2 . 1 1 104 104 GLU N N 104 122.105 122.105 121.576 0.529 17948 937 1 2 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.210 0.062 17948 938 1 2 . 1 1 104 104 GLU CA C 104 56.232 56.232 57.504 -1.272 17948 939 1 2 . 1 1 104 104 GLU CB C 104 30.500 30.500 29.334 1.166 17948 940 1 2 . 1 1 104 104 GLU H H 104 8.325 8.325 8.421 -0.096 17948 941 1 2 . 1 1 105 105 ASP N N 105 124.188 124.188 124.629 -0.441 17948 942 1 2 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.962 -0.352 17948 943 1 2 . 1 1 105 105 ASP CA C 105 54.520 54.520 52.108 2.412 17948 944 1 2 . 1 1 105 105 ASP CB C 105 40.700 40.700 40.299 0.401 17948 945 1 2 . 1 1 105 105 ASP H H 105 8.077 8.077 8.077 -0.000 17948 946 1 2 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.960 -0.476 17948 947 1 2 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.081 0.743 17948 948 1 2 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.097 0.103 17948 949 1 2 . 1 1 107 107 THR N N 107 111.950 111.950 113.003 -1.053 17948 950 1 2 . 1 1 107 107 THR HA H 107 4.273 4.273 4.320 -0.047 17948 951 1 2 . 1 1 107 107 THR CA C 107 62.700 62.700 62.211 0.489 17948 952 1 2 . 1 1 107 107 THR CB C 107 69.400 69.400 69.509 -0.109 17948 953 1 2 . 1 1 107 107 THR H H 107 8.339 8.339 8.067 0.272 17948 954 1 2 . 1 1 108 108 LYS N N 108 123.349 123.349 124.776 -1.427 17948 955 1 2 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.013 0.344 17948 956 1 2 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.998 -0.999 17948 957 1 2 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.378 0.422 17948 958 1 2 . 1 1 108 108 LYS H H 108 7.727 7.727 8.708 -0.981 17948 959 1 3 . 1 1 3 3 ASP HA H 3 4.610 4.610 5.012 -0.402 17948 960 1 3 . 1 1 3 3 ASP H H 3 8.330 8.330 8.524 -0.194 17948 961 1 3 . 1 1 4 4 ALA N N 4 124.218 124.218 125.828 -1.610 17948 962 1 3 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.459 -0.199 17948 963 1 3 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.821 1.179 17948 964 1 3 . 1 1 4 4 ALA CB C 4 18.965 18.965 20.371 -1.406 17948 965 1 3 . 1 1 4 4 ALA H H 4 8.180 8.180 8.333 -0.153 17948 966 1 3 . 1 1 5 5 GLY N N 5 107.349 107.349 108.878 -1.529 17948 967 1 3 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.698 0.402 17948 968 1 3 . 1 1 5 5 GLY H H 5 8.344 8.344 8.215 0.129 17948 969 1 3 . 1 1 6 6 ARG N N 6 119.351 119.351 118.511 0.840 17948 970 1 3 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.733 -0.463 17948 971 1 3 . 1 1 6 6 ARG H H 6 7.971 7.971 8.723 -0.752 17948 972 1 3 . 1 1 7 7 LYS N N 7 122.700 122.700 121.786 0.914 17948 973 1 3 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.717 -0.437 17948 974 1 3 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.928 0.472 17948 975 1 3 . 1 1 7 7 LYS CB C 7 32.900 32.900 34.537 -1.637 17948 976 1 3 . 1 1 7 7 LYS H H 7 8.034 8.034 8.932 -0.898 17948 977 1 3 . 1 1 8 8 GLY H H 8 8.340 8.340 8.616 -0.276 17948 978 1 3 . 1 1 9 9 PHE N N 9 122.017 122.017 118.948 3.069 17948 979 1 3 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.908 -0.288 17948 980 1 3 . 1 1 9 9 PHE CA C 9 56.000 56.000 60.341 -4.341 17948 981 1 3 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.820 0.130 17948 982 1 3 . 1 1 9 9 PHE H H 9 8.093 8.093 9.448 -1.355 17948 983 1 3 . 1 1 10 10 GLY N N 10 120.389 120.389 109.563 10.826 17948 984 1 3 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.681 -0.127 17948 985 1 3 . 1 1 10 10 GLY H H 10 7.996 7.996 8.658 -0.662 17948 986 1 3 . 1 1 11 11 GLU N N 11 120.847 120.847 120.115 0.732 17948 987 1 3 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.086 0.174 17948 988 1 3 . 1 1 11 11 GLU CA C 11 57.061 57.061 57.145 -0.084 17948 989 1 3 . 1 1 11 11 GLU CB C 11 30.200 30.200 29.672 0.528 17948 990 1 3 . 1 1 11 11 GLU H H 11 8.168 8.168 8.502 -0.334 17948 991 1 3 . 1 1 12 12 LYS N N 12 121.524 121.524 121.900 -0.376 17948 992 1 3 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.677 -0.397 17948 993 1 3 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.955 0.597 17948 994 1 3 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.962 -1.162 17948 995 1 3 . 1 1 12 12 LYS H H 12 8.273 8.273 8.193 0.080 17948 996 1 3 . 1 1 13 13 ALA N N 13 124.765 124.765 126.137 -1.372 17948 997 1 3 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.703 -0.443 17948 998 1 3 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.940 1.116 17948 999 1 3 . 1 1 13 13 ALA CB C 13 18.900 18.900 20.433 -1.533 17948 1000 1 3 . 1 1 13 13 ALA H H 13 8.288 8.288 8.345 -0.057 17948 1001 1 3 . 1 1 14 14 SER N N 14 114.047 114.047 114.008 0.039 17948 1002 1 3 . 1 1 14 14 SER HA H 14 4.342 4.342 4.499 -0.157 17948 1003 1 3 . 1 1 14 14 SER CA C 14 58.918 58.918 58.337 0.581 17948 1004 1 3 . 1 1 14 14 SER CB C 14 63.539 63.539 63.357 0.182 17948 1005 1 3 . 1 1 14 14 SER H H 14 8.145 8.145 8.910 -0.765 17948 1006 1 3 . 1 1 15 15 GLU N N 15 122.145 122.145 121.825 0.320 17948 1007 1 3 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.796 -0.536 17948 1008 1 3 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.031 -8.014 17948 1009 1 3 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.641 -0.300 17948 1010 1 3 . 1 1 15 15 GLU H H 15 8.223 8.223 8.290 -0.067 17948 1011 1 3 . 1 1 16 16 ALA N N 16 123.491 123.491 124.209 -0.718 17948 1012 1 3 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.399 -0.115 17948 1013 1 3 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.510 0.990 17948 1014 1 3 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.895 -0.695 17948 1015 1 3 . 1 1 16 16 ALA H H 16 8.033 8.033 8.351 -0.318 17948 1016 1 3 . 1 1 17 17 LEU N N 17 120.066 120.066 122.762 -2.696 17948 1017 1 3 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.334 -0.000 17948 1018 1 3 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.482 -0.582 17948 1019 1 3 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.630 -0.330 17948 1020 1 3 . 1 1 17 17 LEU H H 17 7.901 7.901 8.387 -0.486 17948 1021 1 3 . 1 1 18 18 LYS N N 18 122.658 122.658 121.001 1.657 17948 1022 1 3 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.576 -0.296 17948 1023 1 3 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.528 -0.528 17948 1024 1 3 . 1 1 18 18 LYS CB C 18 32.637 32.637 32.871 -0.234 17948 1025 1 3 . 1 1 18 18 LYS H H 18 8.081 8.081 8.331 -0.250 17948 1026 1 3 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.537 -0.110 17948 1027 1 3 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.222 0.078 17948 1028 1 3 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.756 0.144 17948 1029 1 3 . 1 1 20 20 ASP N N 20 119.912 119.912 123.830 -3.918 17948 1030 1 3 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.753 -0.182 17948 1031 1 3 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.111 0.389 17948 1032 1 3 . 1 1 20 20 ASP CB C 20 40.900 40.900 42.094 -1.194 17948 1033 1 3 . 1 1 20 20 ASP H H 20 8.398 8.398 8.510 -0.112 17948 1034 1 3 . 1 1 21 21 SER N N 21 115.552 115.552 116.208 -0.656 17948 1035 1 3 . 1 1 21 21 SER HA H 21 4.513 4.513 4.363 0.150 17948 1036 1 3 . 1 1 21 21 SER CA C 21 58.726 58.726 59.569 -0.843 17948 1037 1 3 . 1 1 21 21 SER CB C 21 63.709 63.709 63.763 -0.054 17948 1038 1 3 . 1 1 21 21 SER H H 21 8.113 8.113 8.422 -0.309 17948 1039 1 3 . 1 1 22 22 GLN N N 22 119.920 119.920 123.708 -3.788 17948 1040 1 3 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.331 -0.051 17948 1041 1 3 . 1 1 22 22 GLN H H 22 8.224 8.224 8.482 -0.258 17948 1042 1 3 . 1 1 23 23 LYS N N 23 121.734 121.734 118.990 2.744 17948 1043 1 3 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.131 0.149 17948 1044 1 3 . 1 1 23 23 LYS CA C 23 56.173 56.173 57.139 -0.966 17948 1045 1 3 . 1 1 23 23 LYS CB C 23 30.593 30.593 32.356 -1.763 17948 1046 1 3 . 1 1 23 23 LYS H H 23 8.415 8.415 8.394 0.021 17948 1047 1 3 . 1 1 24 24 SER N N 24 126.408 126.408 114.355 12.053 17948 1048 1 3 . 1 1 24 24 SER HA H 24 4.510 4.510 4.502 0.008 17948 1049 1 3 . 1 1 24 24 SER CA C 24 57.341 57.341 57.757 -0.416 17948 1050 1 3 . 1 1 24 24 SER CB C 24 63.800 63.800 64.209 -0.409 17948 1051 1 3 . 1 1 24 24 SER H H 24 7.595 7.595 8.358 -0.763 17948 1052 1 3 . 1 1 25 25 TYR N N 25 120.790 120.790 121.701 -0.911 17948 1053 1 3 . 1 1 25 25 TYR HA H 25 4.456 4.456 5.499 -1.043 17948 1054 1 3 . 1 1 25 25 TYR CA C 25 59.736 59.736 57.263 2.473 17948 1055 1 3 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.610 -1.541 17948 1056 1 3 . 1 1 25 25 TYR H H 25 8.370 8.370 8.339 0.031 17948 1057 1 3 . 1 1 26 26 ALA N N 26 122.684 122.684 122.106 0.578 17948 1058 1 3 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.342 -0.178 17948 1059 1 3 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.609 1.391 17948 1060 1 3 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.931 -1.032 17948 1061 1 3 . 1 1 26 26 ALA H H 26 8.405 8.405 8.724 -0.319 17948 1062 1 3 . 1 1 27 27 GLU N N 27 118.504 118.504 118.031 0.473 17948 1063 1 3 . 1 1 27 27 GLU HA H 27 4.116 4.116 3.956 0.160 17948 1064 1 3 . 1 1 27 27 GLU CA C 27 58.000 58.000 58.707 -0.707 17948 1065 1 3 . 1 1 27 27 GLU CB C 27 30.000 30.000 28.921 1.079 17948 1066 1 3 . 1 1 27 27 GLU H H 27 7.988 7.988 8.653 -0.665 17948 1067 1 3 . 1 1 28 28 GLN N N 28 119.735 119.735 118.083 1.652 17948 1068 1 3 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.057 0.167 17948 1069 1 3 . 1 1 28 28 GLN CA C 28 57.600 57.600 57.804 -0.204 17948 1070 1 3 . 1 1 28 28 GLN CB C 28 29.400 29.400 28.520 0.880 17948 1071 1 3 . 1 1 28 28 GLN H H 28 8.282 8.282 8.527 -0.245 17948 1072 1 3 . 1 1 29 29 GLY N N 29 108.734 108.734 108.601 0.133 17948 1073 1 3 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.257 1.143 17948 1074 1 3 . 1 1 29 29 GLY H H 29 8.645 8.645 8.013 0.632 17948 1075 1 3 . 1 1 30 30 LYS N N 30 120.800 120.800 124.797 -3.997 17948 1076 1 3 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.026 0.254 17948 1077 1 3 . 1 1 30 30 LYS CA C 30 57.992 57.992 56.798 1.194 17948 1078 1 3 . 1 1 30 30 LYS CB C 30 29.800 29.800 32.460 -2.660 17948 1079 1 3 . 1 1 30 30 LYS H H 30 8.140 8.140 8.471 -0.331 17948 1080 1 3 . 1 1 31 31 GLU N N 31 119.994 119.994 118.049 1.945 17948 1081 1 3 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.071 0.189 17948 1082 1 3 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.537 2.863 17948 1083 1 3 . 1 1 31 31 GLU CB C 31 32.521 32.521 28.992 3.529 17948 1084 1 3 . 1 1 31 31 GLU H H 31 8.039 8.039 8.420 -0.381 17948 1085 1 3 . 1 1 32 32 TYR N N 32 119.254 119.254 120.855 -1.601 17948 1086 1 3 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.597 0.033 17948 1087 1 3 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.226 0.794 17948 1088 1 3 . 1 1 32 32 TYR CB C 32 39.160 39.160 38.123 1.037 17948 1089 1 3 . 1 1 32 32 TYR H H 32 7.994 7.994 8.108 -0.114 17948 1090 1 3 . 1 1 33 33 ILE N N 33 121.600 121.600 119.849 1.751 17948 1091 1 3 . 1 1 33 33 ILE HA H 33 4.024 4.024 3.776 0.248 17948 1092 1 3 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.923 0.177 17948 1093 1 3 . 1 1 33 33 ILE CB C 33 38.300 38.300 37.474 0.826 17948 1094 1 3 . 1 1 33 33 ILE H H 33 8.260 8.260 7.963 0.297 17948 1095 1 3 . 1 1 34 34 THR N N 34 115.849 115.849 115.611 0.238 17948 1096 1 3 . 1 1 34 34 THR HA H 34 4.480 4.480 4.635 -0.155 17948 1097 1 3 . 1 1 34 34 THR CA C 34 63.600 63.600 61.144 2.456 17948 1098 1 3 . 1 1 34 34 THR CB C 34 69.300 69.300 70.485 -1.185 17948 1099 1 3 . 1 1 34 34 THR H H 34 8.082 8.082 7.785 0.297 17948 1100 1 3 . 1 1 35 35 ASP N N 35 122.190 122.190 122.127 0.063 17948 1101 1 3 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.788 -0.234 17948 1102 1 3 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.070 1.330 17948 1103 1 3 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.497 0.003 17948 1104 1 3 . 1 1 35 35 ASP H H 35 8.102 8.102 8.371 -0.269 17948 1105 1 3 . 1 1 36 36 LYS N N 36 119.451 119.451 120.110 -0.659 17948 1106 1 3 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.501 -0.291 17948 1107 1 3 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.489 1.010 17948 1108 1 3 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.086 -1.585 17948 1109 1 3 . 1 1 36 36 LYS H H 36 7.983 7.983 8.218 -0.235 17948 1110 1 3 . 1 1 37 37 ALA N N 37 123.038 123.038 124.314 -1.276 17948 1111 1 3 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.634 -0.453 17948 1112 1 3 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.391 1.210 17948 1113 1 3 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.568 -0.768 17948 1114 1 3 . 1 1 37 37 ALA H H 37 8.241 8.241 8.598 -0.357 17948 1115 1 3 . 1 1 38 38 ASP N N 38 118.323 118.323 118.512 -0.189 17948 1116 1 3 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.951 -0.447 17948 1117 1 3 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.611 1.489 17948 1118 1 3 . 1 1 38 38 ASP CB C 38 41.000 41.000 42.850 -1.850 17948 1119 1 3 . 1 1 38 38 ASP H H 38 8.144 8.144 8.736 -0.592 17948 1120 1 3 . 1 1 39 39 LYS N N 39 120.011 120.011 119.876 0.135 17948 1121 1 3 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.645 -0.370 17948 1122 1 3 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.989 0.911 17948 1123 1 3 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.435 -0.681 17948 1124 1 3 . 1 1 39 39 LYS H H 39 7.960 7.960 8.352 -0.392 17948 1125 1 3 . 1 1 40 40 VAL N N 40 119.113 119.113 119.473 -0.360 17948 1126 1 3 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.194 -0.150 17948 1127 1 3 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.623 1.277 17948 1128 1 3 . 1 1 40 40 VAL CB C 40 32.500 32.500 33.846 -1.346 17948 1129 1 3 . 1 1 40 40 VAL H H 40 7.948 7.948 8.138 -0.190 17948 1130 1 3 . 1 1 41 41 ALA N N 41 125.220 125.220 128.836 -3.616 17948 1131 1 3 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.647 -0.353 17948 1132 1 3 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.587 1.313 17948 1133 1 3 . 1 1 41 41 ALA CB C 41 19.100 19.100 19.870 -0.770 17948 1134 1 3 . 1 1 41 41 ALA H H 41 8.168 8.168 8.463 -0.295 17948 1135 1 3 . 1 1 42 42 GLY N N 42 107.007 107.007 106.806 0.201 17948 1136 1 3 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.170 0.230 17948 1137 1 3 . 1 1 42 42 GLY H H 42 8.130 8.130 8.232 -0.102 17948 1138 1 3 . 1 1 43 43 LYS N N 43 122.310 122.310 125.298 -2.988 17948 1139 1 3 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.627 -0.256 17948 1140 1 3 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.811 0.189 17948 1141 1 3 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.555 -0.555 17948 1142 1 3 . 1 1 43 43 LYS H H 43 8.253 8.253 8.439 -0.186 17948 1143 1 3 . 1 1 44 44 VAL N N 44 120.734 120.734 118.904 1.830 17948 1144 1 3 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.482 -0.342 17948 1145 1 3 . 1 1 44 44 VAL CA C 44 62.000 62.000 61.288 0.712 17948 1146 1 3 . 1 1 44 44 VAL CB C 44 32.700 32.700 33.437 -0.737 17948 1147 1 3 . 1 1 44 44 VAL H H 44 8.026 8.026 8.429 -0.403 17948 1148 1 3 . 1 1 45 45 GLN N N 45 124.893 124.893 123.380 1.513 17948 1149 1 3 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.731 -0.451 17948 1150 1 3 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.269 -0.869 17948 1151 1 3 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.078 -0.078 17948 1152 1 3 . 1 1 45 45 GLN H H 45 8.385 8.385 8.543 -0.158 17948 1153 1 3 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.555 -0.384 17948 1154 1 3 . 1 1 46 46 PRO CA C 46 61.800 61.800 62.885 -1.085 17948 1155 1 3 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.563 0.366 17948 1156 1 3 . 1 1 47 47 GLU N N 47 123.526 123.526 121.214 2.312 17948 1157 1 3 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.372 -0.112 17948 1158 1 3 . 1 1 47 47 GLU CA C 47 56.200 56.200 55.881 0.319 17948 1159 1 3 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.743 -0.043 17948 1160 1 3 . 1 1 47 47 GLU H H 47 8.039 8.039 8.351 -0.312 17948 1161 1 3 . 1 1 48 48 ASP N N 48 122.131 122.131 120.137 1.994 17948 1162 1 3 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.661 -0.063 17948 1163 1 3 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.424 1.906 17948 1164 1 3 . 1 1 48 48 ASP CB C 48 30.700 30.700 42.099 -11.399 17948 1165 1 3 . 1 1 48 48 ASP H H 48 8.402 8.402 8.447 -0.045 17948 1166 1 3 . 1 1 49 49 ASN N N 49 121.154 121.154 117.960 3.194 17948 1167 1 3 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.798 -0.098 17948 1168 1 3 . 1 1 49 49 ASN CA C 49 51.600 51.600 52.479 -0.879 17948 1169 1 3 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.223 1.350 17948 1170 1 3 . 1 1 49 49 ASN H H 49 8.338 8.338 8.384 -0.046 17948 1171 1 3 . 1 1 50 50 LYS N N 50 120.660 120.660 118.926 1.734 17948 1172 1 3 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.585 -0.286 17948 1173 1 3 . 1 1 50 50 LYS H H 50 8.247 8.247 8.499 -0.252 17948 1174 1 3 . 1 1 51 51 GLY N N 51 108.915 108.915 111.402 -2.487 17948 1175 1 3 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.857 0.543 17948 1176 1 3 . 1 1 51 51 GLY H H 51 8.320 8.320 8.278 0.042 17948 1177 1 3 . 1 1 52 52 VAL N N 52 118.906 118.906 121.062 -2.156 17948 1178 1 3 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.029 0.017 17948 1179 1 3 . 1 1 52 52 VAL CA C 52 62.400 62.400 62.514 -0.114 17948 1180 1 3 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.468 0.032 17948 1181 1 3 . 1 1 52 52 VAL H H 52 7.836 7.836 8.319 -0.483 17948 1182 1 3 . 1 1 53 53 PHE N N 53 123.002 123.002 121.969 1.033 17948 1183 1 3 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.296 0.351 17948 1184 1 3 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.238 -0.638 17948 1185 1 3 . 1 1 53 53 PHE CB C 53 39.400 39.400 38.213 1.187 17948 1186 1 3 . 1 1 53 53 PHE H H 53 8.284 8.284 8.489 -0.205 17948 1187 1 3 . 1 1 54 54 GLN N N 54 122.278 122.278 121.844 0.434 17948 1188 1 3 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.299 0.014 17948 1189 1 3 . 1 1 54 54 GLN CA C 54 55.800 55.800 56.164 -0.364 17948 1190 1 3 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.042 0.458 17948 1191 1 3 . 1 1 54 54 GLN H H 54 8.223 8.223 8.258 -0.035 17948 1192 1 3 . 1 1 55 55 GLY N N 55 109.285 109.285 112.698 -3.413 17948 1193 1 3 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.353 0.847 17948 1194 1 3 . 1 1 55 55 GLY H H 55 7.900 7.900 8.175 -0.275 17948 1195 1 3 . 1 1 56 56 VAL H H 56 7.898 7.898 8.197 -0.299 17948 1196 1 3 . 1 1 57 57 HIS N N 57 120.411 120.411 119.130 1.281 17948 1197 1 3 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.831 -0.582 17948 1198 1 3 . 1 1 57 57 HIS H H 57 8.529 8.529 7.827 0.702 17948 1199 1 3 . 1 1 58 58 ASP N N 58 120.960 120.960 121.013 -0.053 17948 1200 1 3 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.545 0.065 17948 1201 1 3 . 1 1 58 58 ASP H H 58 8.234 8.234 7.582 0.652 17948 1202 1 3 . 1 1 59 59 SER N N 59 116.391 116.391 115.773 0.618 17948 1203 1 3 . 1 1 59 59 SER HA H 59 4.398 4.398 4.245 0.153 17948 1204 1 3 . 1 1 59 59 SER CA C 59 58.500 58.500 59.395 -0.895 17948 1205 1 3 . 1 1 59 59 SER CB C 59 63.700 63.700 63.366 0.334 17948 1206 1 3 . 1 1 59 59 SER H H 59 8.248 8.248 8.333 -0.085 17948 1207 1 3 . 1 1 60 60 ALA N N 60 125.620 125.620 129.535 -3.915 17948 1208 1 3 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.372 -0.064 17948 1209 1 3 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.280 0.520 17948 1210 1 3 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.743 -0.582 17948 1211 1 3 . 1 1 60 60 ALA H H 60 8.290 8.290 8.489 -0.199 17948 1212 1 3 . 1 1 61 61 GLU N N 61 119.550 119.550 116.967 2.583 17948 1213 1 3 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.014 0.237 17948 1214 1 3 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.409 0.191 17948 1215 1 3 . 1 1 61 61 GLU CB C 61 30.100 30.100 29.481 0.619 17948 1216 1 3 . 1 1 61 61 GLU H H 61 8.206 8.206 8.442 -0.236 17948 1217 1 3 . 1 1 62 62 LYS N N 62 122.003 122.003 116.700 5.303 17948 1218 1 3 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.144 0.156 17948 1219 1 3 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.632 0.168 17948 1220 1 3 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.409 0.491 17948 1221 1 3 . 1 1 62 62 LYS H H 62 8.157 8.157 8.230 -0.073 17948 1222 1 3 . 1 1 63 63 GLY N N 63 109.728 109.728 108.424 1.304 17948 1223 1 3 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.132 0.168 17948 1224 1 3 . 1 1 63 63 GLY H H 63 8.371 8.371 8.433 -0.062 17948 1225 1 3 . 1 1 64 64 LYS N N 64 120.537 120.537 118.946 1.591 17948 1226 1 3 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.628 -0.288 17948 1227 1 3 . 1 1 64 64 LYS CA C 64 56.200 56.200 55.809 0.391 17948 1228 1 3 . 1 1 64 64 LYS CB C 64 33.000 33.000 35.587 -2.587 17948 1229 1 3 . 1 1 64 64 LYS H H 64 8.078 8.078 8.486 -0.408 17948 1230 1 3 . 1 1 65 65 ASP N N 65 120.981 120.981 118.795 2.186 17948 1231 1 3 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.561 0.029 17948 1232 1 3 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.667 0.633 17948 1233 1 3 . 1 1 65 65 ASP CB C 65 41.200 41.200 42.381 -1.181 17948 1234 1 3 . 1 1 65 65 ASP H H 65 8.336 8.336 8.439 -0.103 17948 1235 1 3 . 1 1 66 66 ASN N N 66 119.056 119.056 117.964 1.092 17948 1236 1 3 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.291 0.400 17948 1237 1 3 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.862 -0.662 17948 1238 1 3 . 1 1 66 66 ASN CB C 66 39.000 39.000 38.428 0.572 17948 1239 1 3 . 1 1 66 66 ASN H H 66 8.280 8.280 8.591 -0.311 17948 1240 1 3 . 1 1 67 67 ALA N N 67 124.164 124.164 124.114 0.050 17948 1241 1 3 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.394 -0.081 17948 1242 1 3 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.984 0.740 17948 1243 1 3 . 1 1 67 67 ALA CB C 67 19.171 19.171 20.658 -1.487 17948 1244 1 3 . 1 1 67 67 ALA H H 67 8.248 8.248 8.002 0.246 17948 1245 1 3 . 1 1 68 68 GLU N N 68 119.599 119.599 120.026 -0.427 17948 1246 1 3 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.453 -0.171 17948 1247 1 3 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.743 1.069 17948 1248 1 3 . 1 1 68 68 GLU CB C 68 30.126 30.126 30.910 -0.784 17948 1249 1 3 . 1 1 68 68 GLU H H 68 8.295 8.295 8.236 0.059 17948 1250 1 3 . 1 1 69 69 GLY N N 69 109.616 109.616 109.481 0.135 17948 1251 1 3 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.234 0.206 17948 1252 1 3 . 1 1 69 69 GLY H H 69 8.348 8.348 7.987 0.361 17948 1253 1 3 . 1 1 70 70 GLN N N 70 119.476 119.476 118.007 1.469 17948 1254 1 3 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.432 -0.044 17948 1255 1 3 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.272 -0.412 17948 1256 1 3 . 1 1 70 70 GLN CB C 70 29.500 29.500 30.420 -0.920 17948 1257 1 3 . 1 1 70 70 GLN H H 70 8.200 8.200 8.471 -0.271 17948 1258 1 3 . 1 1 71 71 GLY N N 71 109.928 109.928 109.542 0.386 17948 1259 1 3 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.228 0.132 17948 1260 1 3 . 1 1 71 71 GLY H H 71 8.438 8.438 8.427 0.011 17948 1261 1 3 . 1 1 72 72 GLU N N 72 120.438 120.438 121.227 -0.789 17948 1262 1 3 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.336 0.062 17948 1263 1 3 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.265 0.135 17948 1264 1 3 . 1 1 72 72 GLU CB C 72 30.700 30.700 30.851 -0.151 17948 1265 1 3 . 1 1 72 72 GLU H H 72 8.296 8.296 7.837 0.459 17948 1266 1 3 . 1 1 73 73 SER N N 73 117.699 117.699 117.373 0.326 17948 1267 1 3 . 1 1 73 73 SER HA H 73 4.601 4.601 4.284 0.317 17948 1268 1 3 . 1 1 73 73 SER CA C 73 58.011 58.011 60.524 -2.513 17948 1269 1 3 . 1 1 73 73 SER CB C 73 64.816 64.816 63.073 1.743 17948 1270 1 3 . 1 1 73 73 SER H H 73 8.666 8.666 8.583 0.083 17948 1271 1 3 . 1 1 74 74 LEU N N 74 125.422 125.422 121.123 4.299 17948 1272 1 3 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.082 0.159 17948 1273 1 3 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.264 1.459 17948 1274 1 3 . 1 1 74 74 LEU CB C 74 42.155 42.155 40.835 1.320 17948 1275 1 3 . 1 1 74 74 LEU H H 74 8.899 8.899 8.022 0.877 17948 1276 1 3 . 1 1 75 75 ALA N N 75 120.685 120.685 122.659 -1.974 17948 1277 1 3 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.881 0.140 17948 1278 1 3 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.734 -0.934 17948 1279 1 3 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.017 0.583 17948 1280 1 3 . 1 1 75 75 ALA H H 75 8.389 8.389 8.440 -0.051 17948 1281 1 3 . 1 1 76 76 ASP N N 76 117.754 117.754 118.657 -0.903 17948 1282 1 3 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.356 0.078 17948 1283 1 3 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.404 -0.704 17948 1284 1 3 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.757 -0.074 17948 1285 1 3 . 1 1 76 76 ASP H H 76 7.777 7.777 7.787 -0.010 17948 1286 1 3 . 1 1 77 77 GLN N N 77 119.402 119.402 118.652 0.750 17948 1287 1 3 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.013 0.208 17948 1288 1 3 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.592 -0.748 17948 1289 1 3 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.555 1.047 17948 1290 1 3 . 1 1 77 77 GLN H H 77 8.038 8.038 7.725 0.313 17948 1291 1 3 . 1 1 78 78 ALA N N 78 121.376 121.376 122.564 -1.188 17948 1292 1 3 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.157 0.014 17948 1293 1 3 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.832 -0.282 17948 1294 1 3 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.255 0.599 17948 1295 1 3 . 1 1 78 78 ALA H H 78 8.427 8.427 8.255 0.172 17948 1296 1 3 . 1 1 79 79 ARG N N 79 117.905 117.905 119.212 -1.307 17948 1297 1 3 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.055 -0.037 17948 1298 1 3 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.826 0.467 17948 1299 1 3 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.680 0.479 17948 1300 1 3 . 1 1 79 79 ARG H H 79 8.031 8.031 7.971 0.060 17948 1301 1 3 . 1 1 80 80 ASP N N 80 120.290 120.290 119.466 0.824 17948 1302 1 3 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.471 0.090 17948 1303 1 3 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.505 -1.228 17948 1304 1 3 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.981 -0.481 17948 1305 1 3 . 1 1 80 80 ASP H H 80 8.126 8.126 8.218 -0.092 17948 1306 1 3 . 1 1 81 81 TYR N N 81 120.191 120.191 120.674 -0.483 17948 1307 1 3 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.325 0.015 17948 1308 1 3 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.443 0.676 17948 1309 1 3 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.598 -0.098 17948 1310 1 3 . 1 1 81 81 TYR H H 81 8.250 8.250 7.684 0.566 17948 1311 1 3 . 1 1 82 82 MET N N 82 117.996 117.996 118.976 -0.980 17948 1312 1 3 . 1 1 82 82 MET HA H 82 4.222 4.222 3.984 0.238 17948 1313 1 3 . 1 1 82 82 MET CA C 82 58.618 58.618 59.736 -1.118 17948 1314 1 3 . 1 1 82 82 MET CB C 82 32.875 32.875 32.359 0.516 17948 1315 1 3 . 1 1 82 82 MET H H 82 8.354 8.354 8.482 -0.128 17948 1316 1 3 . 1 1 83 83 GLY N N 83 106.902 106.902 104.659 2.243 17948 1317 1 3 . 1 1 83 83 GLY CA C 83 47.200 47.200 46.908 0.292 17948 1318 1 3 . 1 1 83 83 GLY H H 83 8.365 8.365 7.938 0.427 17948 1319 1 3 . 1 1 84 84 ALA N N 84 124.830 124.830 123.399 1.431 17948 1320 1 3 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.034 0.284 17948 1321 1 3 . 1 1 84 84 ALA CA C 84 54.278 54.278 54.069 0.209 17948 1322 1 3 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.616 -0.047 17948 1323 1 3 . 1 1 84 84 ALA H H 84 7.950 7.950 7.370 0.580 17948 1324 1 3 . 1 1 85 85 ALA N N 85 120.542 120.542 121.610 -1.068 17948 1325 1 3 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.841 0.196 17948 1326 1 3 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.983 -0.004 17948 1327 1 3 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.243 0.257 17948 1328 1 3 . 1 1 85 85 ALA H H 85 8.274 8.274 8.032 0.242 17948 1329 1 3 . 1 1 86 86 LYS N N 86 116.920 116.920 117.743 -0.823 17948 1330 1 3 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.930 -0.043 17948 1331 1 3 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.480 0.580 17948 1332 1 3 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.907 0.393 17948 1333 1 3 . 1 1 86 86 LYS H H 86 8.265 8.265 7.789 0.476 17948 1334 1 3 . 1 1 87 87 SER N N 87 113.664 113.664 114.357 -0.693 17948 1335 1 3 . 1 1 87 87 SER HA H 87 4.312 4.312 4.201 0.111 17948 1336 1 3 . 1 1 87 87 SER CA C 87 61.330 61.330 60.911 0.419 17948 1337 1 3 . 1 1 87 87 SER CB C 87 62.900 62.900 62.855 0.045 17948 1338 1 3 . 1 1 87 87 SER H H 87 7.926 7.926 7.610 0.316 17948 1339 1 3 . 1 1 88 88 LYS N N 88 120.310 120.310 121.493 -1.183 17948 1340 1 3 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.119 0.267 17948 1341 1 3 . 1 1 88 88 LYS CA C 88 57.344 57.344 58.916 -1.572 17948 1342 1 3 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.452 -0.652 17948 1343 1 3 . 1 1 88 88 LYS H H 88 7.859 7.859 7.609 0.250 17948 1344 1 3 . 1 1 89 89 LEU N N 89 119.648 119.648 121.790 -2.142 17948 1345 1 3 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.987 0.114 17948 1346 1 3 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.680 0.387 17948 1347 1 3 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.973 0.527 17948 1348 1 3 . 1 1 89 89 LEU H H 89 8.158 8.158 8.191 -0.033 17948 1349 1 3 . 1 1 90 90 ASN N N 90 117.422 117.422 117.384 0.038 17948 1350 1 3 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.331 0.067 17948 1351 1 3 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.754 0.305 17948 1352 1 3 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.276 0.224 17948 1353 1 3 . 1 1 90 90 ASN H H 90 8.240 8.240 7.789 0.451 17948 1354 1 3 . 1 1 91 91 ASP N N 91 119.945 119.945 119.676 0.269 17948 1355 1 3 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.478 -0.037 17948 1356 1 3 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.535 -0.191 17948 1357 1 3 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.656 -0.356 17948 1358 1 3 . 1 1 91 91 ASP H H 91 8.111 8.111 7.631 0.480 17948 1359 1 3 . 1 1 92 92 ALA N N 92 123.226 123.226 122.125 1.101 17948 1360 1 3 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.136 0.038 17948 1361 1 3 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.671 0.702 17948 1362 1 3 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.582 -0.282 17948 1363 1 3 . 1 1 92 92 ALA H H 92 8.240 8.240 7.405 0.835 17948 1364 1 3 . 1 1 93 93 VAL N N 93 117.940 117.940 119.543 -1.603 17948 1365 1 3 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.540 0.059 17948 1366 1 3 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.301 -0.408 17948 1367 1 3 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.271 0.342 17948 1368 1 3 . 1 1 93 93 VAL H H 93 8.410 8.410 8.095 0.315 17948 1369 1 3 . 1 1 94 94 GLU N N 94 120.610 120.610 119.450 1.160 17948 1370 1 3 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.899 0.151 17948 1371 1 3 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.490 0.110 17948 1372 1 3 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.699 -0.099 17948 1373 1 3 . 1 1 94 94 GLU H H 94 8.289 8.289 7.898 0.391 17948 1374 1 3 . 1 1 95 95 TYR N N 95 120.241 120.241 119.537 0.704 17948 1375 1 3 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.327 -0.057 17948 1376 1 3 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.526 -0.226 17948 1377 1 3 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.876 -0.176 17948 1378 1 3 . 1 1 95 95 TYR H H 95 8.186 8.186 7.393 0.793 17948 1379 1 3 . 1 1 96 96 VAL N N 96 116.942 116.942 118.345 -1.403 17948 1380 1 3 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.718 -0.172 17948 1381 1 3 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.762 -0.692 17948 1382 1 3 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.068 0.677 17948 1383 1 3 . 1 1 96 96 VAL H H 96 8.394 8.394 8.247 0.147 17948 1384 1 3 . 1 1 97 97 SER N N 97 113.924 113.924 115.300 -1.376 17948 1385 1 3 . 1 1 97 97 SER HA H 97 4.145 4.145 4.266 -0.121 17948 1386 1 3 . 1 1 97 97 SER CA C 97 61.393 61.393 61.639 -0.246 17948 1387 1 3 . 1 1 97 97 SER CB C 97 63.415 63.415 62.729 0.686 17948 1388 1 3 . 1 1 97 97 SER H H 97 8.433 8.433 8.701 -0.268 17948 1389 1 3 . 1 1 98 98 GLY N N 98 107.509 107.509 108.733 -1.224 17948 1390 1 3 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.112 0.186 17948 1391 1 3 . 1 1 98 98 GLY H H 98 7.899 7.899 7.542 0.357 17948 1392 1 3 . 1 1 99 99 ARG N N 99 119.471 119.471 120.122 -0.651 17948 1393 1 3 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.172 0.096 17948 1394 1 3 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.617 -0.090 17948 1395 1 3 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.145 0.155 17948 1396 1 3 . 1 1 99 99 ARG H H 99 7.696 7.696 7.564 0.132 17948 1397 1 3 . 1 1 100 100 VAL N N 100 117.316 117.316 117.923 -0.607 17948 1398 1 3 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.725 0.235 17948 1399 1 3 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.177 -0.777 17948 1400 1 3 . 1 1 100 100 VAL CB C 100 32.320 32.320 32.153 0.167 17948 1401 1 3 . 1 1 100 100 VAL H H 100 7.906 7.906 7.367 0.539 17948 1402 1 3 . 1 1 101 101 HIS N N 101 119.155 119.155 115.670 3.485 17948 1403 1 3 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.651 0.050 17948 1404 1 3 . 1 1 101 101 HIS CA C 101 56.200 56.200 54.096 2.104 17948 1405 1 3 . 1 1 101 101 HIS CB C 101 30.048 30.048 32.955 -2.907 17948 1406 1 3 . 1 1 101 101 HIS H H 101 8.130 8.130 7.371 0.759 17948 1407 1 3 . 1 1 102 102 GLY N N 102 109.145 109.145 108.798 0.347 17948 1408 1 3 . 1 1 102 102 GLY CA C 102 45.333 45.333 46.592 -1.259 17948 1409 1 3 . 1 1 102 102 GLY H H 102 8.086 8.086 8.639 -0.553 17948 1410 1 3 . 1 1 103 103 GLU N N 103 119.345 119.345 123.601 -4.256 17948 1411 1 3 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.349 -0.019 17948 1412 1 3 . 1 1 103 103 GLU CA C 103 62.300 62.300 55.973 6.327 17948 1413 1 3 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.124 1.630 17948 1414 1 3 . 1 1 103 103 GLU H H 103 7.932 7.932 8.217 -0.285 17948 1415 1 3 . 1 1 104 104 GLU N N 104 122.105 122.105 119.614 2.491 17948 1416 1 3 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.344 -0.072 17948 1417 1 3 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.407 -0.175 17948 1418 1 3 . 1 1 104 104 GLU CB C 104 30.500 30.500 30.839 -0.339 17948 1419 1 3 . 1 1 104 104 GLU H H 104 8.325 8.325 8.719 -0.394 17948 1420 1 3 . 1 1 105 105 ASP N N 105 124.188 124.188 120.933 3.255 17948 1421 1 3 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.496 0.114 17948 1422 1 3 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.765 0.755 17948 1423 1 3 . 1 1 105 105 ASP CB C 105 40.700 40.700 40.963 -0.263 17948 1424 1 3 . 1 1 105 105 ASP H H 105 8.077 8.077 8.151 -0.074 17948 1425 1 3 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.449 0.035 17948 1426 1 3 . 1 1 106 106 PRO CA C 106 63.824 63.824 64.092 -0.268 17948 1427 1 3 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.234 -0.035 17948 1428 1 3 . 1 1 107 107 THR N N 107 111.950 111.950 111.473 0.477 17948 1429 1 3 . 1 1 107 107 THR HA H 107 4.273 4.273 4.033 0.240 17948 1430 1 3 . 1 1 107 107 THR CA C 107 62.700 62.700 62.748 -0.048 17948 1431 1 3 . 1 1 107 107 THR CB C 107 69.400 69.400 68.751 0.649 17948 1432 1 3 . 1 1 107 107 THR H H 107 8.339 8.339 7.895 0.444 17948 1433 1 3 . 1 1 108 108 LYS N N 108 123.349 123.349 122.442 0.907 17948 1434 1 3 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.333 0.024 17948 1435 1 3 . 1 1 108 108 LYS CA C 108 56.000 56.000 57.331 -1.331 17948 1436 1 3 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.605 -0.805 17948 1437 1 3 . 1 1 108 108 LYS H H 108 7.727 7.727 8.584 -0.857 17948 1438 1 4 . 1 1 3 3 ASP HA H 3 4.610 4.610 5.295 -0.685 17948 1439 1 4 . 1 1 3 3 ASP H H 3 8.330 8.330 8.676 -0.346 17948 1440 1 4 . 1 1 4 4 ALA N N 4 124.218 124.218 123.970 0.248 17948 1441 1 4 . 1 1 4 4 ALA HA H 4 4.260 4.260 5.293 -1.033 17948 1442 1 4 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.875 1.125 17948 1443 1 4 . 1 1 4 4 ALA CB C 4 18.965 18.965 20.617 -1.653 17948 1444 1 4 . 1 1 4 4 ALA H H 4 8.180 8.180 9.556 -1.376 17948 1445 1 4 . 1 1 5 5 GLY N N 5 107.349 107.349 108.675 -1.326 17948 1446 1 4 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.498 0.602 17948 1447 1 4 . 1 1 5 5 GLY H H 5 8.344 8.344 8.990 -0.646 17948 1448 1 4 . 1 1 6 6 ARG N N 6 119.351 119.351 120.304 -0.953 17948 1449 1 4 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.857 -0.587 17948 1450 1 4 . 1 1 6 6 ARG H H 6 7.971 7.971 8.731 -0.760 17948 1451 1 4 . 1 1 7 7 LYS N N 7 122.700 122.700 119.359 3.341 17948 1452 1 4 . 1 1 7 7 LYS HA H 7 4.280 4.280 5.075 -0.795 17948 1453 1 4 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.276 0.124 17948 1454 1 4 . 1 1 7 7 LYS CB C 7 32.900 32.900 34.714 -1.814 17948 1455 1 4 . 1 1 7 7 LYS H H 7 8.034 8.034 8.828 -0.794 17948 1456 1 4 . 1 1 8 8 GLY H H 8 8.340 8.340 8.410 -0.070 17948 1457 1 4 . 1 1 9 9 PHE N N 9 122.017 122.017 119.119 2.898 17948 1458 1 4 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.307 0.313 17948 1459 1 4 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.474 -2.474 17948 1460 1 4 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.375 0.575 17948 1461 1 4 . 1 1 9 9 PHE H H 9 8.093 8.093 8.029 0.064 17948 1462 1 4 . 1 1 10 10 GLY N N 10 120.389 120.389 110.171 10.218 17948 1463 1 4 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.050 0.504 17948 1464 1 4 . 1 1 10 10 GLY H H 10 7.996 7.996 9.103 -1.107 17948 1465 1 4 . 1 1 11 11 GLU N N 11 120.847 120.847 120.847 0.000 17948 1466 1 4 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.863 -0.603 17948 1467 1 4 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.170 0.891 17948 1468 1 4 . 1 1 11 11 GLU CB C 11 30.200 30.200 32.392 -2.192 17948 1469 1 4 . 1 1 11 11 GLU H H 11 8.168 8.168 9.154 -0.986 17948 1470 1 4 . 1 1 12 12 LYS N N 12 121.524 121.524 119.401 2.123 17948 1471 1 4 . 1 1 12 12 LYS HA H 12 4.280 4.280 5.167 -0.887 17948 1472 1 4 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.564 0.988 17948 1473 1 4 . 1 1 12 12 LYS CB C 12 32.800 32.800 34.514 -1.714 17948 1474 1 4 . 1 1 12 12 LYS H H 12 8.273 8.273 8.731 -0.458 17948 1475 1 4 . 1 1 13 13 ALA N N 13 124.765 124.765 123.079 1.686 17948 1476 1 4 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.437 -0.177 17948 1477 1 4 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.741 1.315 17948 1478 1 4 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.444 -0.544 17948 1479 1 4 . 1 1 13 13 ALA H H 13 8.288 8.288 8.190 0.098 17948 1480 1 4 . 1 1 14 14 SER N N 14 114.047 114.047 114.276 -0.229 17948 1481 1 4 . 1 1 14 14 SER HA H 14 4.342 4.342 4.336 0.006 17948 1482 1 4 . 1 1 14 14 SER CA C 14 58.918 58.918 58.743 0.175 17948 1483 1 4 . 1 1 14 14 SER CB C 14 63.539 63.539 63.411 0.128 17948 1484 1 4 . 1 1 14 14 SER H H 14 8.145 8.145 8.325 -0.180 17948 1485 1 4 . 1 1 15 15 GLU N N 15 122.145 122.145 120.505 1.640 17948 1486 1 4 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.408 -0.148 17948 1487 1 4 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.504 -8.487 17948 1488 1 4 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.474 -0.133 17948 1489 1 4 . 1 1 15 15 GLU H H 15 8.223 8.223 8.583 -0.360 17948 1490 1 4 . 1 1 16 16 ALA N N 16 123.491 123.491 122.911 0.580 17948 1491 1 4 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.721 -0.437 17948 1492 1 4 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.810 0.690 17948 1493 1 4 . 1 1 16 16 ALA CB C 16 19.200 19.200 20.106 -0.906 17948 1494 1 4 . 1 1 16 16 ALA H H 16 8.033 8.033 7.957 0.076 17948 1495 1 4 . 1 1 17 17 LEU N N 17 120.066 120.066 119.637 0.429 17948 1496 1 4 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.754 -0.420 17948 1497 1 4 . 1 1 17 17 LEU CA C 17 54.900 54.900 54.555 0.345 17948 1498 1 4 . 1 1 17 17 LEU CB C 17 42.300 42.300 45.399 -3.099 17948 1499 1 4 . 1 1 17 17 LEU H H 17 7.901 7.901 7.933 -0.032 17948 1500 1 4 . 1 1 18 18 LYS N N 18 122.658 122.658 121.378 1.280 17948 1501 1 4 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.612 -0.332 17948 1502 1 4 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.104 -1.104 17948 1503 1 4 . 1 1 18 18 LYS CB C 18 32.637 32.637 33.036 -0.399 17948 1504 1 4 . 1 1 18 18 LYS H H 18 8.081 8.081 8.362 -0.281 17948 1505 1 4 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.379 0.048 17948 1506 1 4 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.153 0.147 17948 1507 1 4 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.809 0.091 17948 1508 1 4 . 1 1 20 20 ASP N N 20 119.912 119.912 120.049 -0.137 17948 1509 1 4 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.544 0.027 17948 1510 1 4 . 1 1 20 20 ASP CA C 20 54.500 54.500 55.193 -0.693 17948 1511 1 4 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.828 -0.928 17948 1512 1 4 . 1 1 20 20 ASP H H 20 8.398 8.398 8.241 0.157 17948 1513 1 4 . 1 1 21 21 SER N N 21 115.552 115.552 117.050 -1.498 17948 1514 1 4 . 1 1 21 21 SER HA H 21 4.513 4.513 4.409 0.104 17948 1515 1 4 . 1 1 21 21 SER CA C 21 58.726 58.726 58.391 0.335 17948 1516 1 4 . 1 1 21 21 SER CB C 21 63.709 63.709 63.769 -0.060 17948 1517 1 4 . 1 1 21 21 SER H H 21 8.113 8.113 8.458 -0.345 17948 1518 1 4 . 1 1 22 22 GLN N N 22 119.920 119.920 119.254 0.666 17948 1519 1 4 . 1 1 22 22 GLN HA H 22 4.280 4.280 3.978 0.302 17948 1520 1 4 . 1 1 22 22 GLN H H 22 8.224 8.224 8.243 -0.019 17948 1521 1 4 . 1 1 23 23 LYS N N 23 121.734 121.734 119.957 1.777 17948 1522 1 4 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.015 0.265 17948 1523 1 4 . 1 1 23 23 LYS CA C 23 56.173 56.173 57.147 -0.974 17948 1524 1 4 . 1 1 23 23 LYS CB C 23 30.593 30.593 31.318 -0.725 17948 1525 1 4 . 1 1 23 23 LYS H H 23 8.415 8.415 8.638 -0.223 17948 1526 1 4 . 1 1 24 24 SER N N 24 126.408 126.408 115.035 11.373 17948 1527 1 4 . 1 1 24 24 SER HA H 24 4.510 4.510 4.599 -0.089 17948 1528 1 4 . 1 1 24 24 SER CA C 24 57.341 57.341 57.650 -0.309 17948 1529 1 4 . 1 1 24 24 SER CB C 24 63.800 63.800 64.255 -0.455 17948 1530 1 4 . 1 1 24 24 SER H H 24 7.595 7.595 7.772 -0.177 17948 1531 1 4 . 1 1 25 25 TYR N N 25 120.790 120.790 123.283 -2.493 17948 1532 1 4 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.641 -0.185 17948 1533 1 4 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.414 1.322 17948 1534 1 4 . 1 1 25 25 TYR CB C 25 38.069 38.069 38.909 -0.840 17948 1535 1 4 . 1 1 25 25 TYR H H 25 8.370 8.370 8.598 -0.228 17948 1536 1 4 . 1 1 26 26 ALA N N 26 122.684 122.684 122.714 -0.030 17948 1537 1 4 . 1 1 26 26 ALA HA H 26 4.164 4.164 3.957 0.207 17948 1538 1 4 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.310 1.690 17948 1539 1 4 . 1 1 26 26 ALA CB C 26 18.900 18.900 18.597 0.303 17948 1540 1 4 . 1 1 26 26 ALA H H 26 8.405 8.405 8.025 0.380 17948 1541 1 4 . 1 1 27 27 GLU N N 27 118.504 118.504 119.484 -0.980 17948 1542 1 4 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.116 0.000 17948 1543 1 4 . 1 1 27 27 GLU CA C 27 58.000 58.000 57.216 0.784 17948 1544 1 4 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.360 0.640 17948 1545 1 4 . 1 1 27 27 GLU H H 27 7.988 7.988 8.491 -0.503 17948 1546 1 4 . 1 1 28 28 GLN N N 28 119.735 119.735 122.529 -2.794 17948 1547 1 4 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.443 -0.219 17948 1548 1 4 . 1 1 28 28 GLN CA C 28 57.600 57.600 56.091 1.509 17948 1549 1 4 . 1 1 28 28 GLN CB C 28 29.400 29.400 29.586 -0.186 17948 1550 1 4 . 1 1 28 28 GLN H H 28 8.282 8.282 8.419 -0.137 17948 1551 1 4 . 1 1 29 29 GLY N N 29 108.734 108.734 109.627 -0.893 17948 1552 1 4 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.265 1.135 17948 1553 1 4 . 1 1 29 29 GLY H H 29 8.645 8.645 8.380 0.265 17948 1554 1 4 . 1 1 30 30 LYS N N 30 120.800 120.800 119.743 1.057 17948 1555 1 4 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.393 -0.113 17948 1556 1 4 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.990 2.002 17948 1557 1 4 . 1 1 30 30 LYS CB C 30 29.800 29.800 34.241 -4.441 17948 1558 1 4 . 1 1 30 30 LYS H H 30 8.140 8.140 7.906 0.234 17948 1559 1 4 . 1 1 31 31 GLU N N 31 119.994 119.994 119.988 0.006 17948 1560 1 4 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.076 0.184 17948 1561 1 4 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.819 2.581 17948 1562 1 4 . 1 1 31 31 GLU CB C 31 32.521 32.521 29.503 3.018 17948 1563 1 4 . 1 1 31 31 GLU H H 31 8.039 8.039 8.089 -0.050 17948 1564 1 4 . 1 1 32 32 TYR N N 32 119.254 119.254 121.902 -2.648 17948 1565 1 4 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.719 -0.089 17948 1566 1 4 . 1 1 32 32 TYR CA C 32 58.020 58.020 56.795 1.225 17948 1567 1 4 . 1 1 32 32 TYR CB C 32 39.160 39.160 38.135 1.025 17948 1568 1 4 . 1 1 32 32 TYR H H 32 7.994 7.994 7.741 0.253 17948 1569 1 4 . 1 1 33 33 ILE N N 33 121.600 121.600 123.952 -2.352 17948 1570 1 4 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.387 -0.363 17948 1571 1 4 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.771 0.329 17948 1572 1 4 . 1 1 33 33 ILE CB C 33 38.300 38.300 37.843 0.457 17948 1573 1 4 . 1 1 33 33 ILE H H 33 8.260 8.260 7.993 0.267 17948 1574 1 4 . 1 1 34 34 THR N N 34 115.849 115.849 121.003 -5.154 17948 1575 1 4 . 1 1 34 34 THR HA H 34 4.480 4.480 4.607 -0.127 17948 1576 1 4 . 1 1 34 34 THR CA C 34 63.600 63.600 61.456 2.144 17948 1577 1 4 . 1 1 34 34 THR CB C 34 69.300 69.300 70.663 -1.363 17948 1578 1 4 . 1 1 34 34 THR H H 34 8.082 8.082 8.247 -0.165 17948 1579 1 4 . 1 1 35 35 ASP N N 35 122.190 122.190 119.947 2.243 17948 1580 1 4 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.676 -0.122 17948 1581 1 4 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.387 1.013 17948 1582 1 4 . 1 1 35 35 ASP CB C 35 41.500 41.500 42.047 -0.547 17948 1583 1 4 . 1 1 35 35 ASP H H 35 8.102 8.102 8.534 -0.432 17948 1584 1 4 . 1 1 36 36 LYS N N 36 119.451 119.451 118.456 0.995 17948 1585 1 4 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.101 0.109 17948 1586 1 4 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.433 0.067 17948 1587 1 4 . 1 1 36 36 LYS CB C 36 32.500 32.500 32.593 -0.093 17948 1588 1 4 . 1 1 36 36 LYS H H 36 7.983 7.983 7.827 0.156 17948 1589 1 4 . 1 1 37 37 ALA N N 37 123.038 123.038 122.599 0.439 17948 1590 1 4 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.503 -0.322 17948 1591 1 4 . 1 1 37 37 ALA CA C 37 53.600 53.600 51.639 1.961 17948 1592 1 4 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.500 -0.700 17948 1593 1 4 . 1 1 37 37 ALA H H 37 8.241 8.241 8.270 -0.029 17948 1594 1 4 . 1 1 38 38 ASP N N 38 118.323 118.323 120.327 -2.004 17948 1595 1 4 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.577 -0.073 17948 1596 1 4 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.559 0.541 17948 1597 1 4 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.406 -0.406 17948 1598 1 4 . 1 1 38 38 ASP H H 38 8.144 8.144 8.179 -0.035 17948 1599 1 4 . 1 1 39 39 LYS N N 39 120.011 120.011 126.437 -6.426 17948 1600 1 4 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.559 -0.284 17948 1601 1 4 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.648 1.252 17948 1602 1 4 . 1 1 39 39 LYS CB C 39 32.754 32.754 32.574 0.180 17948 1603 1 4 . 1 1 39 39 LYS H H 39 7.960 7.960 8.510 -0.550 17948 1604 1 4 . 1 1 40 40 VAL N N 40 119.113 119.113 112.187 6.926 17948 1605 1 4 . 1 1 40 40 VAL HA H 40 4.044 4.044 3.556 0.488 17948 1606 1 4 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.970 -0.070 17948 1607 1 4 . 1 1 40 40 VAL CB C 40 32.500 32.500 30.604 1.896 17948 1608 1 4 . 1 1 40 40 VAL H H 40 7.948 7.948 8.064 -0.116 17948 1609 1 4 . 1 1 41 41 ALA N N 41 125.220 125.220 121.362 3.858 17948 1610 1 4 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.556 -0.262 17948 1611 1 4 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.906 0.994 17948 1612 1 4 . 1 1 41 41 ALA CB C 41 19.100 19.100 19.587 -0.486 17948 1613 1 4 . 1 1 41 41 ALA H H 41 8.168 8.168 7.509 0.659 17948 1614 1 4 . 1 1 42 42 GLY N N 42 107.007 107.007 111.757 -4.750 17948 1615 1 4 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.021 0.379 17948 1616 1 4 . 1 1 42 42 GLY H H 42 8.130 8.130 8.003 0.127 17948 1617 1 4 . 1 1 43 43 LYS N N 43 122.310 122.310 119.451 2.859 17948 1618 1 4 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.739 -0.368 17948 1619 1 4 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.208 0.792 17948 1620 1 4 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.036 -0.036 17948 1621 1 4 . 1 1 43 43 LYS H H 43 8.253 8.253 8.371 -0.118 17948 1622 1 4 . 1 1 44 44 VAL N N 44 120.734 120.734 114.253 6.481 17948 1623 1 4 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.497 -0.357 17948 1624 1 4 . 1 1 44 44 VAL CA C 44 62.000 62.000 61.062 0.938 17948 1625 1 4 . 1 1 44 44 VAL CB C 44 32.700 32.700 31.962 0.738 17948 1626 1 4 . 1 1 44 44 VAL H H 44 8.026 8.026 8.030 -0.004 17948 1627 1 4 . 1 1 45 45 GLN N N 45 124.893 124.893 121.207 3.686 17948 1628 1 4 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.820 -0.540 17948 1629 1 4 . 1 1 45 45 GLN CA C 45 53.400 53.400 52.668 0.732 17948 1630 1 4 . 1 1 45 45 GLN CB C 45 29.000 29.000 30.008 -1.008 17948 1631 1 4 . 1 1 45 45 GLN H H 45 8.385 8.385 7.952 0.433 17948 1632 1 4 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.013 0.158 17948 1633 1 4 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.601 -1.801 17948 1634 1 4 . 1 1 46 46 PRO CB C 46 32.929 32.929 31.915 1.014 17948 1635 1 4 . 1 1 47 47 GLU N N 47 123.526 123.526 119.781 3.745 17948 1636 1 4 . 1 1 47 47 GLU HA H 47 4.260 4.260 3.973 0.287 17948 1637 1 4 . 1 1 47 47 GLU CA C 47 56.200 56.200 58.224 -2.024 17948 1638 1 4 . 1 1 47 47 GLU CB C 47 30.700 30.700 29.643 1.057 17948 1639 1 4 . 1 1 47 47 GLU H H 47 8.039 8.039 8.317 -0.278 17948 1640 1 4 . 1 1 48 48 ASP N N 48 122.131 122.131 117.976 4.155 17948 1641 1 4 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.750 -0.152 17948 1642 1 4 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.177 2.153 17948 1643 1 4 . 1 1 48 48 ASP CB C 48 30.700 30.700 42.127 -11.427 17948 1644 1 4 . 1 1 48 48 ASP H H 48 8.402 8.402 8.218 0.184 17948 1645 1 4 . 1 1 49 49 ASN N N 49 121.154 121.154 119.095 2.059 17948 1646 1 4 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.684 0.016 17948 1647 1 4 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.538 -1.938 17948 1648 1 4 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.431 1.142 17948 1649 1 4 . 1 1 49 49 ASN H H 49 8.338 8.338 8.535 -0.197 17948 1650 1 4 . 1 1 50 50 LYS N N 50 120.660 120.660 118.236 2.424 17948 1651 1 4 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.174 0.125 17948 1652 1 4 . 1 1 50 50 LYS H H 50 8.247 8.247 8.444 -0.197 17948 1653 1 4 . 1 1 51 51 GLY N N 51 108.915 108.915 107.166 1.749 17948 1654 1 4 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.518 -0.118 17948 1655 1 4 . 1 1 51 51 GLY H H 51 8.320 8.320 8.134 0.186 17948 1656 1 4 . 1 1 52 52 VAL N N 52 118.906 118.906 119.354 -0.448 17948 1657 1 4 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.348 -0.302 17948 1658 1 4 . 1 1 52 52 VAL CA C 52 62.400 62.400 62.145 0.255 17948 1659 1 4 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.663 -0.163 17948 1660 1 4 . 1 1 52 52 VAL H H 52 7.836 7.836 7.942 -0.106 17948 1661 1 4 . 1 1 53 53 PHE N N 53 123.002 123.002 121.834 1.168 17948 1662 1 4 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.271 0.377 17948 1663 1 4 . 1 1 53 53 PHE CA C 53 57.600 57.600 59.486 -1.886 17948 1664 1 4 . 1 1 53 53 PHE CB C 53 39.400 39.400 38.518 0.882 17948 1665 1 4 . 1 1 53 53 PHE H H 53 8.284 8.284 8.468 -0.184 17948 1666 1 4 . 1 1 54 54 GLN N N 54 122.278 122.278 124.553 -2.275 17948 1667 1 4 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.184 0.129 17948 1668 1 4 . 1 1 54 54 GLN CA C 54 55.800 55.800 54.728 1.072 17948 1669 1 4 . 1 1 54 54 GLN CB C 54 29.500 29.500 31.952 -2.452 17948 1670 1 4 . 1 1 54 54 GLN H H 54 8.223 8.223 8.335 -0.112 17948 1671 1 4 . 1 1 55 55 GLY N N 55 109.285 109.285 107.538 1.747 17948 1672 1 4 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.928 0.272 17948 1673 1 4 . 1 1 55 55 GLY H H 55 7.900 7.900 8.299 -0.399 17948 1674 1 4 . 1 1 56 56 VAL H H 56 7.898 7.898 8.251 -0.353 17948 1675 1 4 . 1 1 57 57 HIS N N 57 120.411 120.411 125.648 -5.237 17948 1676 1 4 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.653 -0.404 17948 1677 1 4 . 1 1 57 57 HIS H H 57 8.529 8.529 8.685 -0.156 17948 1678 1 4 . 1 1 58 58 ASP N N 58 120.960 120.960 118.001 2.959 17948 1679 1 4 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.616 -0.006 17948 1680 1 4 . 1 1 58 58 ASP H H 58 8.234 8.234 8.271 -0.037 17948 1681 1 4 . 1 1 59 59 SER N N 59 116.391 116.391 115.121 1.270 17948 1682 1 4 . 1 1 59 59 SER HA H 59 4.398 4.398 4.082 0.316 17948 1683 1 4 . 1 1 59 59 SER CA C 59 58.500 58.500 59.192 -0.692 17948 1684 1 4 . 1 1 59 59 SER CB C 59 63.700 63.700 62.541 1.159 17948 1685 1 4 . 1 1 59 59 SER H H 59 8.248 8.248 8.694 -0.446 17948 1686 1 4 . 1 1 60 60 ALA N N 60 125.620 125.620 127.113 -1.493 17948 1687 1 4 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.401 -0.093 17948 1688 1 4 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.258 0.542 17948 1689 1 4 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.351 -0.190 17948 1690 1 4 . 1 1 60 60 ALA H H 60 8.290 8.290 8.353 -0.063 17948 1691 1 4 . 1 1 61 61 GLU N N 61 119.550 119.550 118.239 1.311 17948 1692 1 4 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.363 -0.112 17948 1693 1 4 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.604 -0.004 17948 1694 1 4 . 1 1 61 61 GLU CB C 61 30.100 30.100 31.434 -1.334 17948 1695 1 4 . 1 1 61 61 GLU H H 61 8.206 8.206 7.881 0.325 17948 1696 1 4 . 1 1 62 62 LYS N N 62 122.003 122.003 119.376 2.627 17948 1697 1 4 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.425 -0.125 17948 1698 1 4 . 1 1 62 62 LYS CA C 62 56.800 56.800 55.831 0.969 17948 1699 1 4 . 1 1 62 62 LYS CB C 62 32.900 32.900 34.438 -1.538 17948 1700 1 4 . 1 1 62 62 LYS H H 62 8.157 8.157 8.350 -0.193 17948 1701 1 4 . 1 1 63 63 GLY N N 63 109.728 109.728 108.528 1.200 17948 1702 1 4 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.757 0.543 17948 1703 1 4 . 1 1 63 63 GLY H H 63 8.371 8.371 7.839 0.532 17948 1704 1 4 . 1 1 64 64 LYS N N 64 120.537 120.537 121.897 -1.360 17948 1705 1 4 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.482 -0.142 17948 1706 1 4 . 1 1 64 64 LYS CA C 64 56.200 56.200 55.857 0.343 17948 1707 1 4 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.121 -0.121 17948 1708 1 4 . 1 1 64 64 LYS H H 64 8.078 8.078 8.235 -0.157 17948 1709 1 4 . 1 1 65 65 ASP N N 65 120.981 120.981 121.297 -0.316 17948 1710 1 4 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.707 -0.117 17948 1711 1 4 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.130 0.170 17948 1712 1 4 . 1 1 65 65 ASP CB C 65 41.200 41.200 43.040 -1.840 17948 1713 1 4 . 1 1 65 65 ASP H H 65 8.336 8.336 8.340 -0.004 17948 1714 1 4 . 1 1 66 66 ASN N N 66 119.056 119.056 119.041 0.015 17948 1715 1 4 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.760 -0.069 17948 1716 1 4 . 1 1 66 66 ASN CA C 66 53.200 53.200 52.496 0.704 17948 1717 1 4 . 1 1 66 66 ASN CB C 66 39.000 39.000 40.475 -1.475 17948 1718 1 4 . 1 1 66 66 ASN H H 66 8.280 8.280 8.555 -0.275 17948 1719 1 4 . 1 1 67 67 ALA N N 67 124.164 124.164 123.694 0.470 17948 1720 1 4 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.146 0.167 17948 1721 1 4 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.117 0.607 17948 1722 1 4 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.620 -0.449 17948 1723 1 4 . 1 1 67 67 ALA H H 67 8.248 8.248 7.731 0.517 17948 1724 1 4 . 1 1 68 68 GLU N N 68 119.599 119.599 118.583 1.016 17948 1725 1 4 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.015 0.267 17948 1726 1 4 . 1 1 68 68 GLU CA C 68 56.812 56.812 57.399 -0.587 17948 1727 1 4 . 1 1 68 68 GLU CB C 68 30.126 30.126 29.840 0.286 17948 1728 1 4 . 1 1 68 68 GLU H H 68 8.295 8.295 8.083 0.212 17948 1729 1 4 . 1 1 69 69 GLY N N 69 109.616 109.616 107.593 2.023 17948 1730 1 4 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.017 0.423 17948 1731 1 4 . 1 1 69 69 GLY H H 69 8.348 8.348 8.029 0.319 17948 1732 1 4 . 1 1 70 70 GLN N N 70 119.476 119.476 117.866 1.610 17948 1733 1 4 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.341 0.047 17948 1734 1 4 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.483 0.377 17948 1735 1 4 . 1 1 70 70 GLN CB C 70 29.500 29.500 30.694 -1.194 17948 1736 1 4 . 1 1 70 70 GLN H H 70 8.200 8.200 8.455 -0.255 17948 1737 1 4 . 1 1 71 71 GLY N N 71 109.928 109.928 110.542 -0.614 17948 1738 1 4 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.684 0.676 17948 1739 1 4 . 1 1 71 71 GLY H H 71 8.438 8.438 8.503 -0.065 17948 1740 1 4 . 1 1 72 72 GLU N N 72 120.438 120.438 118.834 1.604 17948 1741 1 4 . 1 1 72 72 GLU HA H 72 4.398 4.398 3.911 0.487 17948 1742 1 4 . 1 1 72 72 GLU CA C 72 56.400 56.400 57.092 -0.692 17948 1743 1 4 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.725 0.975 17948 1744 1 4 . 1 1 72 72 GLU H H 72 8.296 8.296 8.462 -0.166 17948 1745 1 4 . 1 1 73 73 SER N N 73 117.699 117.699 115.803 1.896 17948 1746 1 4 . 1 1 73 73 SER HA H 73 4.601 4.601 4.241 0.360 17948 1747 1 4 . 1 1 73 73 SER CA C 73 58.011 58.011 61.057 -3.046 17948 1748 1 4 . 1 1 73 73 SER CB C 73 64.816 64.816 62.844 1.972 17948 1749 1 4 . 1 1 73 73 SER H H 73 8.666 8.666 8.649 0.017 17948 1750 1 4 . 1 1 74 74 LEU N N 74 125.422 125.422 121.477 3.945 17948 1751 1 4 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.048 0.193 17948 1752 1 4 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.009 1.714 17948 1753 1 4 . 1 1 74 74 LEU CB C 74 42.155 42.155 40.655 1.500 17948 1754 1 4 . 1 1 74 74 LEU H H 74 8.899 8.899 8.044 0.855 17948 1755 1 4 . 1 1 75 75 ALA N N 75 120.685 120.685 122.080 -1.395 17948 1756 1 4 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.866 0.155 17948 1757 1 4 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.505 -0.705 17948 1758 1 4 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.066 0.534 17948 1759 1 4 . 1 1 75 75 ALA H H 75 8.389 8.389 8.399 -0.010 17948 1760 1 4 . 1 1 76 76 ASP N N 76 117.754 117.754 118.068 -0.314 17948 1761 1 4 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.266 0.168 17948 1762 1 4 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.602 -0.902 17948 1763 1 4 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.655 0.028 17948 1764 1 4 . 1 1 76 76 ASP H H 76 7.777 7.777 7.880 -0.103 17948 1765 1 4 . 1 1 77 77 GLN N N 77 119.402 119.402 117.576 1.826 17948 1766 1 4 . 1 1 77 77 GLN HA H 77 4.221 4.221 3.925 0.296 17948 1767 1 4 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.778 -0.934 17948 1768 1 4 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.303 1.299 17948 1769 1 4 . 1 1 77 77 GLN H H 77 8.038 8.038 8.029 0.009 17948 1770 1 4 . 1 1 78 78 ALA N N 78 121.376 121.376 122.438 -1.062 17948 1771 1 4 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.133 0.038 17948 1772 1 4 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.836 -0.285 17948 1773 1 4 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.330 0.524 17948 1774 1 4 . 1 1 78 78 ALA H H 78 8.427 8.427 7.373 1.054 17948 1775 1 4 . 1 1 79 79 ARG N N 79 117.905 117.905 118.967 -1.062 17948 1776 1 4 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.000 0.018 17948 1777 1 4 . 1 1 79 79 ARG CA C 79 59.293 59.293 59.559 -0.266 17948 1778 1 4 . 1 1 79 79 ARG CB C 79 30.159 30.159 30.097 0.062 17948 1779 1 4 . 1 1 79 79 ARG H H 79 8.031 8.031 8.223 -0.192 17948 1780 1 4 . 1 1 80 80 ASP N N 80 120.290 120.290 119.438 0.852 17948 1781 1 4 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.472 0.089 17948 1782 1 4 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.114 -0.838 17948 1783 1 4 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.090 -0.590 17948 1784 1 4 . 1 1 80 80 ASP H H 80 8.126 8.126 8.012 0.114 17948 1785 1 4 . 1 1 81 81 TYR N N 81 120.191 120.191 120.520 -0.329 17948 1786 1 4 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.310 0.030 17948 1787 1 4 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.294 0.825 17948 1788 1 4 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.554 -0.054 17948 1789 1 4 . 1 1 81 81 TYR H H 81 8.250 8.250 7.614 0.636 17948 1790 1 4 . 1 1 82 82 MET N N 82 117.996 117.996 119.367 -1.371 17948 1791 1 4 . 1 1 82 82 MET HA H 82 4.222 4.222 3.926 0.296 17948 1792 1 4 . 1 1 82 82 MET CA C 82 58.618 58.618 60.038 -1.421 17948 1793 1 4 . 1 1 82 82 MET CB C 82 32.875 32.875 32.314 0.561 17948 1794 1 4 . 1 1 82 82 MET H H 82 8.354 8.354 8.564 -0.210 17948 1795 1 4 . 1 1 83 83 GLY N N 83 106.902 106.902 104.626 2.276 17948 1796 1 4 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.161 0.039 17948 1797 1 4 . 1 1 83 83 GLY H H 83 8.365 8.365 7.788 0.577 17948 1798 1 4 . 1 1 84 84 ALA N N 84 124.830 124.830 123.228 1.602 17948 1799 1 4 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.252 0.066 17948 1800 1 4 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.847 0.431 17948 1801 1 4 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.197 0.372 17948 1802 1 4 . 1 1 84 84 ALA H H 84 7.950 7.950 7.242 0.708 17948 1803 1 4 . 1 1 85 85 ALA N N 85 120.542 120.542 121.049 -0.507 17948 1804 1 4 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.838 0.199 17948 1805 1 4 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.817 0.162 17948 1806 1 4 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.110 0.390 17948 1807 1 4 . 1 1 85 85 ALA H H 85 8.274 8.274 7.992 0.282 17948 1808 1 4 . 1 1 86 86 LYS N N 86 116.920 116.920 118.531 -1.611 17948 1809 1 4 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.771 0.116 17948 1810 1 4 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.255 1.805 17948 1811 1 4 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.293 1.007 17948 1812 1 4 . 1 1 86 86 LYS H H 86 8.265 8.265 7.536 0.729 17948 1813 1 4 . 1 1 87 87 SER N N 87 113.664 113.664 114.924 -1.260 17948 1814 1 4 . 1 1 87 87 SER HA H 87 4.312 4.312 4.070 0.242 17948 1815 1 4 . 1 1 87 87 SER CA C 87 61.330 61.330 61.111 0.219 17948 1816 1 4 . 1 1 87 87 SER CB C 87 62.900 62.900 62.513 0.387 17948 1817 1 4 . 1 1 87 87 SER H H 87 7.926 7.926 7.607 0.319 17948 1818 1 4 . 1 1 88 88 LYS N N 88 120.310 120.310 120.820 -0.510 17948 1819 1 4 . 1 1 88 88 LYS HA H 88 4.386 4.386 3.983 0.403 17948 1820 1 4 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.107 -1.763 17948 1821 1 4 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.232 -0.432 17948 1822 1 4 . 1 1 88 88 LYS H H 88 7.859 7.859 7.630 0.229 17948 1823 1 4 . 1 1 89 89 LEU N N 89 119.648 119.648 121.635 -1.987 17948 1824 1 4 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.924 0.177 17948 1825 1 4 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.701 0.366 17948 1826 1 4 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.854 0.646 17948 1827 1 4 . 1 1 89 89 LEU H H 89 8.158 8.158 7.744 0.414 17948 1828 1 4 . 1 1 90 90 ASN N N 90 117.422 117.422 116.956 0.466 17948 1829 1 4 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.334 0.064 17948 1830 1 4 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.791 0.268 17948 1831 1 4 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.427 0.073 17948 1832 1 4 . 1 1 90 90 ASN H H 90 8.240 8.240 7.916 0.324 17948 1833 1 4 . 1 1 91 91 ASP N N 91 119.945 119.945 118.703 1.242 17948 1834 1 4 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.389 0.052 17948 1835 1 4 . 1 1 91 91 ASP CA C 91 57.344 57.344 58.025 -0.681 17948 1836 1 4 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.681 -0.381 17948 1837 1 4 . 1 1 91 91 ASP H H 91 8.111 8.111 7.553 0.558 17948 1838 1 4 . 1 1 92 92 ALA N N 92 123.226 123.226 122.001 1.225 17948 1839 1 4 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.166 0.008 17948 1840 1 4 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.757 0.616 17948 1841 1 4 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.396 -0.096 17948 1842 1 4 . 1 1 92 92 ALA H H 92 8.240 8.240 7.440 0.800 17948 1843 1 4 . 1 1 93 93 VAL N N 93 117.940 117.940 119.380 -1.440 17948 1844 1 4 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.541 0.058 17948 1845 1 4 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.735 0.158 17948 1846 1 4 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.665 -0.052 17948 1847 1 4 . 1 1 93 93 VAL H H 93 8.410 8.410 8.225 0.185 17948 1848 1 4 . 1 1 94 94 GLU N N 94 120.610 120.610 119.264 1.346 17948 1849 1 4 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.960 0.090 17948 1850 1 4 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.611 -0.012 17948 1851 1 4 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.415 0.185 17948 1852 1 4 . 1 1 94 94 GLU H H 94 8.289 8.289 7.916 0.373 17948 1853 1 4 . 1 1 95 95 TYR N N 95 120.241 120.241 118.835 1.406 17948 1854 1 4 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.235 0.035 17948 1855 1 4 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.498 -0.198 17948 1856 1 4 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.856 -0.156 17948 1857 1 4 . 1 1 95 95 TYR H H 95 8.186 8.186 7.414 0.772 17948 1858 1 4 . 1 1 96 96 VAL N N 96 116.942 116.942 118.221 -1.279 17948 1859 1 4 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.507 0.039 17948 1860 1 4 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.575 -0.505 17948 1861 1 4 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.667 0.078 17948 1862 1 4 . 1 1 96 96 VAL H H 96 8.394 8.394 8.222 0.172 17948 1863 1 4 . 1 1 97 97 SER N N 97 113.924 113.924 115.042 -1.118 17948 1864 1 4 . 1 1 97 97 SER HA H 97 4.145 4.145 4.307 -0.162 17948 1865 1 4 . 1 1 97 97 SER CA C 97 61.393 61.393 61.667 -0.274 17948 1866 1 4 . 1 1 97 97 SER CB C 97 63.415 63.415 62.911 0.504 17948 1867 1 4 . 1 1 97 97 SER H H 97 8.433 8.433 8.671 -0.238 17948 1868 1 4 . 1 1 98 98 GLY N N 98 107.509 107.509 109.210 -1.701 17948 1869 1 4 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.287 0.011 17948 1870 1 4 . 1 1 98 98 GLY H H 98 7.899 7.899 7.679 0.220 17948 1871 1 4 . 1 1 99 99 ARG N N 99 119.471 119.471 120.531 -1.060 17948 1872 1 4 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.484 -0.216 17948 1873 1 4 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.181 0.346 17948 1874 1 4 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.837 -0.537 17948 1875 1 4 . 1 1 99 99 ARG H H 99 7.696 7.696 7.716 -0.020 17948 1876 1 4 . 1 1 100 100 VAL N N 100 117.316 117.316 122.060 -4.744 17948 1877 1 4 . 1 1 100 100 VAL HA H 100 3.960 3.960 4.016 -0.056 17948 1878 1 4 . 1 1 100 100 VAL CA C 100 63.400 63.400 61.703 1.697 17948 1879 1 4 . 1 1 100 100 VAL CB C 100 32.320 32.320 29.237 3.083 17948 1880 1 4 . 1 1 100 100 VAL H H 100 7.906 7.906 7.324 0.582 17948 1881 1 4 . 1 1 101 101 HIS N N 101 119.155 119.155 123.500 -4.345 17948 1882 1 4 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.266 0.435 17948 1883 1 4 . 1 1 101 101 HIS CA C 101 56.200 56.200 58.067 -1.867 17948 1884 1 4 . 1 1 101 101 HIS CB C 101 30.048 30.048 30.670 -0.622 17948 1885 1 4 . 1 1 101 101 HIS H H 101 8.130 8.130 8.232 -0.102 17948 1886 1 4 . 1 1 102 102 GLY N N 102 109.145 109.145 114.012 -4.867 17948 1887 1 4 . 1 1 102 102 GLY CA C 102 45.333 45.333 44.695 0.638 17948 1888 1 4 . 1 1 102 102 GLY H H 102 8.086 8.086 8.148 -0.062 17948 1889 1 4 . 1 1 103 103 GLU N N 103 119.345 119.345 121.054 -1.709 17948 1890 1 4 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.552 -0.222 17948 1891 1 4 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.604 5.696 17948 1892 1 4 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.566 2.188 17948 1893 1 4 . 1 1 103 103 GLU H H 103 7.932 7.932 8.289 -0.357 17948 1894 1 4 . 1 1 104 104 GLU N N 104 122.105 122.105 123.425 -1.320 17948 1895 1 4 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.496 -0.224 17948 1896 1 4 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.106 0.126 17948 1897 1 4 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.846 -1.346 17948 1898 1 4 . 1 1 104 104 GLU H H 104 8.325 8.325 8.244 0.081 17948 1899 1 4 . 1 1 105 105 ASP N N 105 124.188 124.188 120.721 3.467 17948 1900 1 4 . 1 1 105 105 ASP HA H 105 4.610 4.610 5.066 -0.456 17948 1901 1 4 . 1 1 105 105 ASP CA C 105 54.520 54.520 52.127 2.393 17948 1902 1 4 . 1 1 105 105 ASP CB C 105 40.700 40.700 40.917 -0.217 17948 1903 1 4 . 1 1 105 105 ASP H H 105 8.077 8.077 8.242 -0.165 17948 1904 1 4 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.582 -0.098 17948 1905 1 4 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.754 1.070 17948 1906 1 4 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.384 -0.184 17948 1907 1 4 . 1 1 107 107 THR N N 107 111.950 111.950 109.691 2.259 17948 1908 1 4 . 1 1 107 107 THR HA H 107 4.273 4.273 4.282 -0.009 17948 1909 1 4 . 1 1 107 107 THR CA C 107 62.700 62.700 62.039 0.661 17948 1910 1 4 . 1 1 107 107 THR CB C 107 69.400 69.400 69.550 -0.150 17948 1911 1 4 . 1 1 107 107 THR H H 107 8.339 8.339 7.823 0.516 17948 1912 1 4 . 1 1 108 108 LYS N N 108 123.349 123.349 122.745 0.604 17948 1913 1 4 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.177 0.180 17948 1914 1 4 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.510 -0.510 17948 1915 1 4 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.504 0.296 17948 1916 1 4 . 1 1 108 108 LYS H H 108 7.727 7.727 8.526 -0.799 17948 1917 1 5 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.768 -0.158 17948 1918 1 5 . 1 1 3 3 ASP H H 3 8.330 8.330 8.731 -0.401 17948 1919 1 5 . 1 1 4 4 ALA N N 4 124.218 124.218 123.150 1.068 17948 1920 1 5 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.404 -0.144 17948 1921 1 5 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.209 0.791 17948 1922 1 5 . 1 1 4 4 ALA CB C 4 18.965 18.965 20.078 -1.113 17948 1923 1 5 . 1 1 4 4 ALA H H 4 8.180 8.180 8.003 0.177 17948 1924 1 5 . 1 1 5 5 GLY N N 5 107.349 107.349 107.102 0.247 17948 1925 1 5 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.574 0.526 17948 1926 1 5 . 1 1 5 5 GLY H H 5 8.344 8.344 8.018 0.326 17948 1927 1 5 . 1 1 6 6 ARG N N 6 119.351 119.351 121.842 -2.491 17948 1928 1 5 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.773 -0.503 17948 1929 1 5 . 1 1 6 6 ARG H H 6 7.971 7.971 8.723 -0.752 17948 1930 1 5 . 1 1 7 7 LYS N N 7 122.700 122.700 116.843 5.857 17948 1931 1 5 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.380 -0.100 17948 1932 1 5 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.490 -0.090 17948 1933 1 5 . 1 1 7 7 LYS CB C 7 32.900 32.900 34.036 -1.136 17948 1934 1 5 . 1 1 7 7 LYS H H 7 8.034 8.034 8.496 -0.462 17948 1935 1 5 . 1 1 8 8 GLY H H 8 8.340 8.340 8.104 0.236 17948 1936 1 5 . 1 1 9 9 PHE N N 9 122.017 122.017 119.428 2.589 17948 1937 1 5 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.128 0.492 17948 1938 1 5 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.907 -2.907 17948 1939 1 5 . 1 1 9 9 PHE CB C 9 39.950 39.950 38.807 1.143 17948 1940 1 5 . 1 1 9 9 PHE H H 9 8.093 8.093 8.367 -0.274 17948 1941 1 5 . 1 1 10 10 GLY N N 10 120.389 120.389 107.831 12.558 17948 1942 1 5 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.197 0.357 17948 1943 1 5 . 1 1 10 10 GLY H H 10 7.996 7.996 8.298 -0.302 17948 1944 1 5 . 1 1 11 11 GLU N N 11 120.847 120.847 119.618 1.229 17948 1945 1 5 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.139 0.121 17948 1946 1 5 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.788 0.273 17948 1947 1 5 . 1 1 11 11 GLU CB C 11 30.200 30.200 29.611 0.589 17948 1948 1 5 . 1 1 11 11 GLU H H 11 8.168 8.168 8.208 -0.040 17948 1949 1 5 . 1 1 12 12 LYS N N 12 121.524 121.524 120.060 1.464 17948 1950 1 5 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.507 -0.227 17948 1951 1 5 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.677 0.875 17948 1952 1 5 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.561 -0.761 17948 1953 1 5 . 1 1 12 12 LYS H H 12 8.273 8.273 8.193 0.080 17948 1954 1 5 . 1 1 13 13 ALA N N 13 124.765 124.765 122.488 2.277 17948 1955 1 5 . 1 1 13 13 ALA HA H 13 4.260 4.260 5.056 -0.796 17948 1956 1 5 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.553 1.502 17948 1957 1 5 . 1 1 13 13 ALA CB C 13 18.900 18.900 20.139 -1.239 17948 1958 1 5 . 1 1 13 13 ALA H H 13 8.288 8.288 8.679 -0.391 17948 1959 1 5 . 1 1 14 14 SER N N 14 114.047 114.047 114.733 -0.686 17948 1960 1 5 . 1 1 14 14 SER HA H 14 4.342 4.342 4.911 -0.569 17948 1961 1 5 . 1 1 14 14 SER CA C 14 58.918 58.918 57.791 1.127 17948 1962 1 5 . 1 1 14 14 SER CB C 14 63.539 63.539 64.706 -1.167 17948 1963 1 5 . 1 1 14 14 SER H H 14 8.145 8.145 8.813 -0.668 17948 1964 1 5 . 1 1 15 15 GLU N N 15 122.145 122.145 120.187 1.958 17948 1965 1 5 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.667 -0.407 17948 1966 1 5 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.499 -8.482 17948 1967 1 5 . 1 1 15 15 GLU CB C 15 30.341 30.341 29.910 0.431 17948 1968 1 5 . 1 1 15 15 GLU H H 15 8.223 8.223 8.770 -0.547 17948 1969 1 5 . 1 1 16 16 ALA N N 16 123.491 123.491 122.380 1.111 17948 1970 1 5 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.065 0.219 17948 1971 1 5 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.990 -0.490 17948 1972 1 5 . 1 1 16 16 ALA CB C 16 19.200 19.200 18.091 1.109 17948 1973 1 5 . 1 1 16 16 ALA H H 16 8.033 8.033 8.238 -0.205 17948 1974 1 5 . 1 1 17 17 LEU N N 17 120.066 120.066 120.679 -0.613 17948 1975 1 5 . 1 1 17 17 LEU HA H 17 4.334 4.334 5.134 -0.800 17948 1976 1 5 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.206 -0.306 17948 1977 1 5 . 1 1 17 17 LEU CB C 17 42.300 42.300 43.999 -1.699 17948 1978 1 5 . 1 1 17 17 LEU H H 17 7.901 7.901 8.758 -0.857 17948 1979 1 5 . 1 1 18 18 LYS N N 18 122.658 122.658 119.632 3.026 17948 1980 1 5 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.659 -0.379 17948 1981 1 5 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.914 -0.914 17948 1982 1 5 . 1 1 18 18 LYS CB C 18 32.637 32.637 32.130 0.507 17948 1983 1 5 . 1 1 18 18 LYS H H 18 8.081 8.081 8.344 -0.263 17948 1984 1 5 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.508 -0.081 17948 1985 1 5 . 1 1 19 19 PRO CA C 19 63.300 63.300 62.731 0.569 17948 1986 1 5 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.096 -0.196 17948 1987 1 5 . 1 1 20 20 ASP N N 20 119.912 119.912 116.860 3.052 17948 1988 1 5 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.530 0.041 17948 1989 1 5 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.625 -0.125 17948 1990 1 5 . 1 1 20 20 ASP CB C 20 40.900 40.900 40.712 0.188 17948 1991 1 5 . 1 1 20 20 ASP H H 20 8.398 8.398 8.419 -0.021 17948 1992 1 5 . 1 1 21 21 SER N N 21 115.552 115.552 115.351 0.201 17948 1993 1 5 . 1 1 21 21 SER HA H 21 4.513 4.513 4.553 -0.040 17948 1994 1 5 . 1 1 21 21 SER CA C 21 58.726 58.726 57.828 0.898 17948 1995 1 5 . 1 1 21 21 SER CB C 21 63.709 63.709 64.676 -0.967 17948 1996 1 5 . 1 1 21 21 SER H H 21 8.113 8.113 8.118 -0.005 17948 1997 1 5 . 1 1 22 22 GLN N N 22 119.920 119.920 120.170 -0.250 17948 1998 1 5 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.695 -0.415 17948 1999 1 5 . 1 1 22 22 GLN H H 22 8.224 8.224 8.516 -0.292 17948 2000 1 5 . 1 1 23 23 LYS N N 23 121.734 121.734 120.919 0.815 17948 2001 1 5 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.471 -0.191 17948 2002 1 5 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.364 -0.191 17948 2003 1 5 . 1 1 23 23 LYS CB C 23 30.593 30.593 32.920 -2.327 17948 2004 1 5 . 1 1 23 23 LYS H H 23 8.415 8.415 8.511 -0.096 17948 2005 1 5 . 1 1 24 24 SER N N 24 126.408 126.408 114.507 11.901 17948 2006 1 5 . 1 1 24 24 SER HA H 24 4.510 4.510 4.872 -0.362 17948 2007 1 5 . 1 1 24 24 SER CA C 24 57.341 57.341 57.992 -0.651 17948 2008 1 5 . 1 1 24 24 SER CB C 24 63.800 63.800 63.918 -0.118 17948 2009 1 5 . 1 1 24 24 SER H H 24 7.595 7.595 8.220 -0.625 17948 2010 1 5 . 1 1 25 25 TYR N N 25 120.790 120.790 119.215 1.575 17948 2011 1 5 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.598 -0.142 17948 2012 1 5 . 1 1 25 25 TYR CA C 25 59.736 59.736 57.837 1.899 17948 2013 1 5 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.327 -1.258 17948 2014 1 5 . 1 1 25 25 TYR H H 25 8.370 8.370 8.120 0.250 17948 2015 1 5 . 1 1 26 26 ALA N N 26 122.684 122.684 124.777 -2.093 17948 2016 1 5 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.342 -0.178 17948 2017 1 5 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.776 1.224 17948 2018 1 5 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.810 -0.910 17948 2019 1 5 . 1 1 26 26 ALA H H 26 8.405 8.405 8.606 -0.201 17948 2020 1 5 . 1 1 27 27 GLU N N 27 118.504 118.504 116.784 1.720 17948 2021 1 5 . 1 1 27 27 GLU HA H 27 4.116 4.116 3.928 0.188 17948 2022 1 5 . 1 1 27 27 GLU CA C 27 58.000 58.000 58.053 -0.054 17948 2023 1 5 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.133 0.867 17948 2024 1 5 . 1 1 27 27 GLU H H 27 7.988 7.988 8.779 -0.791 17948 2025 1 5 . 1 1 28 28 GLN N N 28 119.735 119.735 117.933 1.802 17948 2026 1 5 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.065 0.159 17948 2027 1 5 . 1 1 28 28 GLN CA C 28 57.600 57.600 57.261 0.339 17948 2028 1 5 . 1 1 28 28 GLN CB C 28 29.400 29.400 29.085 0.315 17948 2029 1 5 . 1 1 28 28 GLN H H 28 8.282 8.282 8.173 0.109 17948 2030 1 5 . 1 1 29 29 GLY N N 29 108.734 108.734 108.470 0.264 17948 2031 1 5 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.002 1.398 17948 2032 1 5 . 1 1 29 29 GLY H H 29 8.645 8.645 8.774 -0.129 17948 2033 1 5 . 1 1 30 30 LYS N N 30 120.800 120.800 119.499 1.301 17948 2034 1 5 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.844 -0.564 17948 2035 1 5 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.405 2.587 17948 2036 1 5 . 1 1 30 30 LYS CB C 30 29.800 29.800 34.922 -5.122 17948 2037 1 5 . 1 1 30 30 LYS H H 30 8.140 8.140 8.824 -0.684 17948 2038 1 5 . 1 1 31 31 GLU N N 31 119.994 119.994 122.823 -2.829 17948 2039 1 5 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.643 -0.383 17948 2040 1 5 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.734 3.666 17948 2041 1 5 . 1 1 31 31 GLU CB C 31 32.521 32.521 31.337 1.184 17948 2042 1 5 . 1 1 31 31 GLU H H 31 8.039 8.039 8.597 -0.558 17948 2043 1 5 . 1 1 32 32 TYR N N 32 119.254 119.254 119.282 -0.028 17948 2044 1 5 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.831 -0.201 17948 2045 1 5 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.818 0.202 17948 2046 1 5 . 1 1 32 32 TYR CB C 32 39.160 39.160 40.239 -1.079 17948 2047 1 5 . 1 1 32 32 TYR H H 32 7.994 7.994 8.422 -0.428 17948 2048 1 5 . 1 1 33 33 ILE N N 33 121.600 121.600 124.325 -2.725 17948 2049 1 5 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.472 -0.448 17948 2050 1 5 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.281 0.819 17948 2051 1 5 . 1 1 33 33 ILE CB C 33 38.300 38.300 38.765 -0.465 17948 2052 1 5 . 1 1 33 33 ILE H H 33 8.260 8.260 8.427 -0.167 17948 2053 1 5 . 1 1 34 34 THR N N 34 115.849 115.849 120.839 -4.990 17948 2054 1 5 . 1 1 34 34 THR HA H 34 4.480 4.480 4.474 0.006 17948 2055 1 5 . 1 1 34 34 THR CA C 34 63.600 63.600 61.382 2.218 17948 2056 1 5 . 1 1 34 34 THR CB C 34 69.300 69.300 70.300 -1.000 17948 2057 1 5 . 1 1 34 34 THR H H 34 8.082 8.082 8.410 -0.328 17948 2058 1 5 . 1 1 35 35 ASP N N 35 122.190 122.190 124.268 -2.078 17948 2059 1 5 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.935 -0.381 17948 2060 1 5 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.120 1.280 17948 2061 1 5 . 1 1 35 35 ASP CB C 35 41.500 41.500 42.280 -0.780 17948 2062 1 5 . 1 1 35 35 ASP H H 35 8.102 8.102 8.633 -0.531 17948 2063 1 5 . 1 1 36 36 LYS N N 36 119.451 119.451 120.703 -1.252 17948 2064 1 5 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.666 -0.456 17948 2065 1 5 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.879 0.621 17948 2066 1 5 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.250 -1.750 17948 2067 1 5 . 1 1 36 36 LYS H H 36 7.983 7.983 8.383 -0.400 17948 2068 1 5 . 1 1 37 37 ALA N N 37 123.038 123.038 123.433 -0.395 17948 2069 1 5 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.365 -0.184 17948 2070 1 5 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.297 1.303 17948 2071 1 5 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.276 -0.475 17948 2072 1 5 . 1 1 37 37 ALA H H 37 8.241 8.241 8.345 -0.104 17948 2073 1 5 . 1 1 38 38 ASP N N 38 118.323 118.323 119.506 -1.183 17948 2074 1 5 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.452 0.052 17948 2075 1 5 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.777 0.323 17948 2076 1 5 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.137 -0.137 17948 2077 1 5 . 1 1 38 38 ASP H H 38 8.144 8.144 8.355 -0.211 17948 2078 1 5 . 1 1 39 39 LYS N N 39 120.011 120.011 117.953 2.058 17948 2079 1 5 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.073 0.202 17948 2080 1 5 . 1 1 39 39 LYS CA C 39 56.900 56.900 57.333 -0.433 17948 2081 1 5 . 1 1 39 39 LYS CB C 39 32.754 32.754 32.355 0.399 17948 2082 1 5 . 1 1 39 39 LYS H H 39 7.960 7.960 8.269 -0.309 17948 2083 1 5 . 1 1 40 40 VAL N N 40 119.113 119.113 118.157 0.956 17948 2084 1 5 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.163 -0.119 17948 2085 1 5 . 1 1 40 40 VAL CA C 40 62.900 62.900 63.052 -0.152 17948 2086 1 5 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.326 0.174 17948 2087 1 5 . 1 1 40 40 VAL H H 40 7.948 7.948 8.266 -0.318 17948 2088 1 5 . 1 1 41 41 ALA N N 41 125.220 125.220 122.919 2.301 17948 2089 1 5 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.787 -0.493 17948 2090 1 5 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.764 1.136 17948 2091 1 5 . 1 1 41 41 ALA CB C 41 19.100 19.100 20.447 -1.347 17948 2092 1 5 . 1 1 41 41 ALA H H 41 8.168 8.168 7.937 0.231 17948 2093 1 5 . 1 1 42 42 GLY N N 42 107.007 107.007 107.579 -0.572 17948 2094 1 5 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.608 -0.208 17948 2095 1 5 . 1 1 42 42 GLY H H 42 8.130 8.130 8.214 -0.084 17948 2096 1 5 . 1 1 43 43 LYS N N 43 122.310 122.310 121.666 0.644 17948 2097 1 5 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.534 -0.163 17948 2098 1 5 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.097 -0.097 17948 2099 1 5 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.096 -0.096 17948 2100 1 5 . 1 1 43 43 LYS H H 43 8.253 8.253 8.124 0.129 17948 2101 1 5 . 1 1 44 44 VAL N N 44 120.734 120.734 119.098 1.636 17948 2102 1 5 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.179 -0.039 17948 2103 1 5 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.695 -0.695 17948 2104 1 5 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.651 0.049 17948 2105 1 5 . 1 1 44 44 VAL H H 44 8.026 8.026 7.773 0.253 17948 2106 1 5 . 1 1 45 45 GLN N N 45 124.893 124.893 120.069 4.824 17948 2107 1 5 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.195 0.085 17948 2108 1 5 . 1 1 45 45 GLN CA C 45 53.400 53.400 55.773 -2.373 17948 2109 1 5 . 1 1 45 45 GLN CB C 45 29.000 29.000 27.446 1.554 17948 2110 1 5 . 1 1 45 45 GLN H H 45 8.385 8.385 8.156 0.229 17948 2111 1 5 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.383 -0.212 17948 2112 1 5 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.389 -1.589 17948 2113 1 5 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.397 0.532 17948 2114 1 5 . 1 1 47 47 GLU N N 47 123.526 123.526 121.798 1.728 17948 2115 1 5 . 1 1 47 47 GLU HA H 47 4.260 4.260 3.925 0.335 17948 2116 1 5 . 1 1 47 47 GLU CA C 47 56.200 56.200 57.288 -1.088 17948 2117 1 5 . 1 1 47 47 GLU CB C 47 30.700 30.700 29.821 0.879 17948 2118 1 5 . 1 1 47 47 GLU H H 47 8.039 8.039 8.415 -0.376 17948 2119 1 5 . 1 1 48 48 ASP N N 48 122.131 122.131 118.652 3.479 17948 2120 1 5 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.349 0.249 17948 2121 1 5 . 1 1 48 48 ASP CA C 48 56.330 56.330 55.684 0.646 17948 2122 1 5 . 1 1 48 48 ASP CB C 48 30.700 30.700 39.460 -8.760 17948 2123 1 5 . 1 1 48 48 ASP H H 48 8.402 8.402 8.502 -0.100 17948 2124 1 5 . 1 1 49 49 ASN N N 49 121.154 121.154 118.160 2.994 17948 2125 1 5 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.773 -0.073 17948 2126 1 5 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.596 -1.996 17948 2127 1 5 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.073 2.500 17948 2128 1 5 . 1 1 49 49 ASN H H 49 8.338 8.338 8.251 0.087 17948 2129 1 5 . 1 1 50 50 LYS N N 50 120.660 120.660 120.258 0.402 17948 2130 1 5 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.721 -0.422 17948 2131 1 5 . 1 1 50 50 LYS H H 50 8.247 8.247 7.995 0.252 17948 2132 1 5 . 1 1 51 51 GLY N N 51 108.915 108.915 107.726 1.189 17948 2133 1 5 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.304 1.095 17948 2134 1 5 . 1 1 51 51 GLY H H 51 8.320 8.320 8.013 0.307 17948 2135 1 5 . 1 1 52 52 VAL N N 52 118.906 118.906 115.828 3.078 17948 2136 1 5 . 1 1 52 52 VAL HA H 52 4.046 4.046 3.886 0.160 17948 2137 1 5 . 1 1 52 52 VAL CA C 52 62.400 62.400 63.139 -0.739 17948 2138 1 5 . 1 1 52 52 VAL CB C 52 32.500 32.500 30.920 1.580 17948 2139 1 5 . 1 1 52 52 VAL H H 52 7.836 7.836 8.179 -0.343 17948 2140 1 5 . 1 1 53 53 PHE N N 53 123.002 123.002 120.190 2.812 17948 2141 1 5 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.681 -0.033 17948 2142 1 5 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.359 0.241 17948 2143 1 5 . 1 1 53 53 PHE CB C 53 39.400 39.400 39.774 -0.374 17948 2144 1 5 . 1 1 53 53 PHE H H 53 8.284 8.284 7.862 0.422 17948 2145 1 5 . 1 1 54 54 GLN N N 54 122.278 122.278 124.763 -2.485 17948 2146 1 5 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.717 -0.404 17948 2147 1 5 . 1 1 54 54 GLN CA C 54 55.800 55.800 54.857 0.943 17948 2148 1 5 . 1 1 54 54 GLN CB C 54 29.500 29.500 30.332 -0.833 17948 2149 1 5 . 1 1 54 54 GLN H H 54 8.223 8.223 7.969 0.254 17948 2150 1 5 . 1 1 55 55 GLY N N 55 109.285 109.285 109.634 -0.349 17948 2151 1 5 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.590 -0.390 17948 2152 1 5 . 1 1 55 55 GLY H H 55 7.900 7.900 8.747 -0.847 17948 2153 1 5 . 1 1 56 56 VAL H H 56 7.898 7.898 7.747 0.151 17948 2154 1 5 . 1 1 57 57 HIS N N 57 120.411 120.411 119.613 0.798 17948 2155 1 5 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.950 -0.701 17948 2156 1 5 . 1 1 57 57 HIS H H 57 8.529 8.529 8.420 0.109 17948 2157 1 5 . 1 1 58 58 ASP N N 58 120.960 120.960 121.506 -0.546 17948 2158 1 5 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.416 0.194 17948 2159 1 5 . 1 1 58 58 ASP H H 58 8.234 8.234 8.469 -0.235 17948 2160 1 5 . 1 1 59 59 SER N N 59 116.391 116.391 114.379 2.012 17948 2161 1 5 . 1 1 59 59 SER HA H 59 4.398 4.398 4.248 0.150 17948 2162 1 5 . 1 1 59 59 SER CA C 59 58.500 58.500 58.515 -0.015 17948 2163 1 5 . 1 1 59 59 SER CB C 59 63.700 63.700 63.755 -0.055 17948 2164 1 5 . 1 1 59 59 SER H H 59 8.248 8.248 8.247 0.001 17948 2165 1 5 . 1 1 60 60 ALA N N 60 125.620 125.620 123.377 2.243 17948 2166 1 5 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.372 -0.064 17948 2167 1 5 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.860 -0.060 17948 2168 1 5 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.104 0.057 17948 2169 1 5 . 1 1 60 60 ALA H H 60 8.290 8.290 8.304 -0.014 17948 2170 1 5 . 1 1 61 61 GLU N N 61 119.550 119.550 117.611 1.939 17948 2171 1 5 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.110 0.141 17948 2172 1 5 . 1 1 61 61 GLU CA C 61 56.600 56.600 57.323 -0.723 17948 2173 1 5 . 1 1 61 61 GLU CB C 61 30.100 30.100 29.684 0.416 17948 2174 1 5 . 1 1 61 61 GLU H H 61 8.206 8.206 8.275 -0.069 17948 2175 1 5 . 1 1 62 62 LYS N N 62 122.003 122.003 119.570 2.433 17948 2176 1 5 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.624 -0.324 17948 2177 1 5 . 1 1 62 62 LYS CA C 62 56.800 56.800 55.490 1.310 17948 2178 1 5 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.832 0.068 17948 2179 1 5 . 1 1 62 62 LYS H H 62 8.157 8.157 8.389 -0.232 17948 2180 1 5 . 1 1 63 63 GLY N N 63 109.728 109.728 107.951 1.777 17948 2181 1 5 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.230 1.069 17948 2182 1 5 . 1 1 63 63 GLY H H 63 8.371 8.371 7.473 0.898 17948 2183 1 5 . 1 1 64 64 LYS N N 64 120.537 120.537 118.636 1.901 17948 2184 1 5 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.655 -0.315 17948 2185 1 5 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.065 0.135 17948 2186 1 5 . 1 1 64 64 LYS CB C 64 33.000 33.000 34.449 -1.449 17948 2187 1 5 . 1 1 64 64 LYS H H 64 8.078 8.078 8.441 -0.363 17948 2188 1 5 . 1 1 65 65 ASP N N 65 120.981 120.981 118.279 2.702 17948 2189 1 5 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.692 -0.102 17948 2190 1 5 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.622 0.678 17948 2191 1 5 . 1 1 65 65 ASP CB C 65 41.200 41.200 40.888 0.312 17948 2192 1 5 . 1 1 65 65 ASP H H 65 8.336 8.336 7.958 0.378 17948 2193 1 5 . 1 1 66 66 ASN N N 66 119.056 119.056 119.266 -0.210 17948 2194 1 5 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.207 0.484 17948 2195 1 5 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.529 -0.329 17948 2196 1 5 . 1 1 66 66 ASN CB C 66 39.000 39.000 38.601 0.399 17948 2197 1 5 . 1 1 66 66 ASN H H 66 8.280 8.280 8.493 -0.213 17948 2198 1 5 . 1 1 67 67 ALA N N 67 124.164 124.164 126.823 -2.659 17948 2199 1 5 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.510 -0.197 17948 2200 1 5 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.373 1.351 17948 2201 1 5 . 1 1 67 67 ALA CB C 67 19.171 19.171 21.062 -1.891 17948 2202 1 5 . 1 1 67 67 ALA H H 67 8.248 8.248 7.992 0.256 17948 2203 1 5 . 1 1 68 68 GLU N N 68 119.599 119.599 118.250 1.349 17948 2204 1 5 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.369 -0.087 17948 2205 1 5 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.446 1.366 17948 2206 1 5 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.089 -0.963 17948 2207 1 5 . 1 1 68 68 GLU H H 68 8.295 8.295 8.349 -0.054 17948 2208 1 5 . 1 1 69 69 GLY N N 69 109.616 109.616 108.741 0.875 17948 2209 1 5 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.420 0.019 17948 2210 1 5 . 1 1 69 69 GLY H H 69 8.348 8.348 8.465 -0.117 17948 2211 1 5 . 1 1 70 70 GLN N N 70 119.476 119.476 120.144 -0.668 17948 2212 1 5 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.361 0.027 17948 2213 1 5 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.054 -0.194 17948 2214 1 5 . 1 1 70 70 GLN CB C 70 29.500 29.500 31.415 -1.915 17948 2215 1 5 . 1 1 70 70 GLN H H 70 8.200 8.200 8.298 -0.098 17948 2216 1 5 . 1 1 71 71 GLY N N 71 109.928 109.928 111.996 -2.068 17948 2217 1 5 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.828 0.532 17948 2218 1 5 . 1 1 71 71 GLY H H 71 8.438 8.438 8.505 -0.067 17948 2219 1 5 . 1 1 72 72 GLU N N 72 120.438 120.438 121.226 -0.788 17948 2220 1 5 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.352 0.046 17948 2221 1 5 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.037 0.363 17948 2222 1 5 . 1 1 72 72 GLU CB C 72 30.700 30.700 30.039 0.661 17948 2223 1 5 . 1 1 72 72 GLU H H 72 8.296 8.296 8.412 -0.116 17948 2224 1 5 . 1 1 73 73 SER N N 73 117.699 117.699 115.372 2.327 17948 2225 1 5 . 1 1 73 73 SER HA H 73 4.601 4.601 4.160 0.441 17948 2226 1 5 . 1 1 73 73 SER CA C 73 58.011 58.011 60.614 -2.603 17948 2227 1 5 . 1 1 73 73 SER CB C 73 64.816 64.816 63.018 1.798 17948 2228 1 5 . 1 1 73 73 SER H H 73 8.666 8.666 8.521 0.145 17948 2229 1 5 . 1 1 74 74 LEU N N 74 125.422 125.422 121.231 4.191 17948 2230 1 5 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.101 0.140 17948 2231 1 5 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.510 1.213 17948 2232 1 5 . 1 1 74 74 LEU CB C 74 42.155 42.155 40.862 1.293 17948 2233 1 5 . 1 1 74 74 LEU H H 74 8.899 8.899 8.043 0.856 17948 2234 1 5 . 1 1 75 75 ALA N N 75 120.685 120.685 122.755 -2.070 17948 2235 1 5 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.892 0.129 17948 2236 1 5 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.311 -0.511 17948 2237 1 5 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.195 0.405 17948 2238 1 5 . 1 1 75 75 ALA H H 75 8.389 8.389 8.428 -0.039 17948 2239 1 5 . 1 1 76 76 ASP N N 76 117.754 117.754 118.429 -0.675 17948 2240 1 5 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.290 0.144 17948 2241 1 5 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.985 -1.285 17948 2242 1 5 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.568 0.115 17948 2243 1 5 . 1 1 76 76 ASP H H 76 7.777 7.777 7.875 -0.098 17948 2244 1 5 . 1 1 77 77 GLN N N 77 119.402 119.402 117.403 1.999 17948 2245 1 5 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.087 0.134 17948 2246 1 5 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.658 -0.814 17948 2247 1 5 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.364 1.238 17948 2248 1 5 . 1 1 77 77 GLN H H 77 8.038 8.038 8.054 -0.016 17948 2249 1 5 . 1 1 78 78 ALA N N 78 121.376 121.376 122.498 -1.122 17948 2250 1 5 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.084 0.087 17948 2251 1 5 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.871 -0.321 17948 2252 1 5 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.239 0.615 17948 2253 1 5 . 1 1 78 78 ALA H H 78 8.427 8.427 7.381 1.046 17948 2254 1 5 . 1 1 79 79 ARG N N 79 117.905 117.905 118.988 -1.083 17948 2255 1 5 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.051 -0.033 17948 2256 1 5 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.745 0.548 17948 2257 1 5 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.779 0.380 17948 2258 1 5 . 1 1 79 79 ARG H H 79 8.031 8.031 8.217 -0.186 17948 2259 1 5 . 1 1 80 80 ASP N N 80 120.290 120.290 119.851 0.439 17948 2260 1 5 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.456 0.105 17948 2261 1 5 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.583 -1.307 17948 2262 1 5 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.992 -0.492 17948 2263 1 5 . 1 1 80 80 ASP H H 80 8.126 8.126 8.107 0.019 17948 2264 1 5 . 1 1 81 81 TYR N N 81 120.191 120.191 120.163 0.028 17948 2265 1 5 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.312 0.028 17948 2266 1 5 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.986 0.133 17948 2267 1 5 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.721 -0.221 17948 2268 1 5 . 1 1 81 81 TYR H H 81 8.250 8.250 7.646 0.604 17948 2269 1 5 . 1 1 82 82 MET N N 82 117.996 117.996 119.629 -1.633 17948 2270 1 5 . 1 1 82 82 MET HA H 82 4.222 4.222 4.006 0.216 17948 2271 1 5 . 1 1 82 82 MET CA C 82 58.618 58.618 60.162 -1.544 17948 2272 1 5 . 1 1 82 82 MET CB C 82 32.875 32.875 32.364 0.512 17948 2273 1 5 . 1 1 82 82 MET H H 82 8.354 8.354 8.620 -0.266 17948 2274 1 5 . 1 1 83 83 GLY N N 83 106.902 106.902 104.700 2.202 17948 2275 1 5 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.226 -0.026 17948 2276 1 5 . 1 1 83 83 GLY H H 83 8.365 8.365 7.840 0.525 17948 2277 1 5 . 1 1 84 84 ALA N N 84 124.830 124.830 123.345 1.485 17948 2278 1 5 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.337 -0.019 17948 2279 1 5 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.956 0.322 17948 2280 1 5 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.259 0.310 17948 2281 1 5 . 1 1 84 84 ALA H H 84 7.950 7.950 7.342 0.608 17948 2282 1 5 . 1 1 85 85 ALA N N 85 120.542 120.542 121.487 -0.945 17948 2283 1 5 . 1 1 85 85 ALA HA H 85 4.037 4.037 4.140 -0.103 17948 2284 1 5 . 1 1 85 85 ALA CA C 85 54.979 54.979 55.028 -0.049 17948 2285 1 5 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.318 0.182 17948 2286 1 5 . 1 1 85 85 ALA H H 85 8.274 8.274 8.310 -0.036 17948 2287 1 5 . 1 1 86 86 LYS N N 86 116.920 116.920 119.463 -2.543 17948 2288 1 5 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.004 -0.117 17948 2289 1 5 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.680 0.380 17948 2290 1 5 . 1 1 86 86 LYS CB C 86 32.300 32.300 32.294 0.006 17948 2291 1 5 . 1 1 86 86 LYS H H 86 8.265 8.265 7.756 0.509 17948 2292 1 5 . 1 1 87 87 SER N N 87 113.664 113.664 115.384 -1.720 17948 2293 1 5 . 1 1 87 87 SER HA H 87 4.312 4.312 4.152 0.160 17948 2294 1 5 . 1 1 87 87 SER CA C 87 61.330 61.330 61.870 -0.540 17948 2295 1 5 . 1 1 87 87 SER CB C 87 62.900 62.900 62.998 -0.098 17948 2296 1 5 . 1 1 87 87 SER H H 87 7.926 7.926 7.854 0.072 17948 2297 1 5 . 1 1 88 88 LYS N N 88 120.310 120.310 121.045 -0.735 17948 2298 1 5 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.089 0.297 17948 2299 1 5 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.184 -1.840 17948 2300 1 5 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.512 -0.712 17948 2301 1 5 . 1 1 88 88 LYS H H 88 7.859 7.859 7.692 0.167 17948 2302 1 5 . 1 1 89 89 LEU N N 89 119.648 119.648 121.285 -1.637 17948 2303 1 5 . 1 1 89 89 LEU HA H 89 4.101 4.101 4.001 0.100 17948 2304 1 5 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.875 0.192 17948 2305 1 5 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.967 0.533 17948 2306 1 5 . 1 1 89 89 LEU H H 89 8.158 8.158 7.874 0.284 17948 2307 1 5 . 1 1 90 90 ASN N N 90 117.422 117.422 117.287 0.135 17948 2308 1 5 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.381 0.017 17948 2309 1 5 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.509 0.550 17948 2310 1 5 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.161 0.339 17948 2311 1 5 . 1 1 90 90 ASN H H 90 8.240 8.240 8.038 0.202 17948 2312 1 5 . 1 1 91 91 ASP N N 91 119.945 119.945 118.835 1.110 17948 2313 1 5 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.479 -0.038 17948 2314 1 5 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.572 -0.228 17948 2315 1 5 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.676 -0.376 17948 2316 1 5 . 1 1 91 91 ASP H H 91 8.111 8.111 7.636 0.475 17948 2317 1 5 . 1 1 92 92 ALA N N 92 123.226 123.226 122.068 1.158 17948 2318 1 5 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.273 -0.099 17948 2319 1 5 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.825 0.548 17948 2320 1 5 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.447 -0.147 17948 2321 1 5 . 1 1 92 92 ALA H H 92 8.240 8.240 7.480 0.760 17948 2322 1 5 . 1 1 93 93 VAL N N 93 117.940 117.940 119.213 -1.273 17948 2323 1 5 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.513 0.086 17948 2324 1 5 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.979 -0.086 17948 2325 1 5 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.532 0.081 17948 2326 1 5 . 1 1 93 93 VAL H H 93 8.410 8.410 8.187 0.223 17948 2327 1 5 . 1 1 94 94 GLU N N 94 120.610 120.610 119.149 1.461 17948 2328 1 5 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.952 0.098 17948 2329 1 5 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.435 0.165 17948 2330 1 5 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.286 0.314 17948 2331 1 5 . 1 1 94 94 GLU H H 94 8.289 8.289 7.908 0.381 17948 2332 1 5 . 1 1 95 95 TYR N N 95 120.241 120.241 118.826 1.415 17948 2333 1 5 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.259 0.011 17948 2334 1 5 . 1 1 95 95 TYR CA C 95 61.300 61.300 60.769 0.531 17948 2335 1 5 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.758 -0.058 17948 2336 1 5 . 1 1 95 95 TYR H H 95 8.186 8.186 7.383 0.803 17948 2337 1 5 . 1 1 96 96 VAL N N 96 116.942 116.942 118.902 -1.960 17948 2338 1 5 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.570 -0.024 17948 2339 1 5 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.602 -0.532 17948 2340 1 5 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.689 0.056 17948 2341 1 5 . 1 1 96 96 VAL H H 96 8.394 8.394 8.322 0.072 17948 2342 1 5 . 1 1 97 97 SER N N 97 113.924 113.924 115.212 -1.288 17948 2343 1 5 . 1 1 97 97 SER HA H 97 4.145 4.145 4.262 -0.117 17948 2344 1 5 . 1 1 97 97 SER CA C 97 61.393 61.393 61.749 -0.356 17948 2345 1 5 . 1 1 97 97 SER CB C 97 63.415 63.415 62.691 0.724 17948 2346 1 5 . 1 1 97 97 SER H H 97 8.433 8.433 8.692 -0.259 17948 2347 1 5 . 1 1 98 98 GLY N N 98 107.509 107.509 109.235 -1.726 17948 2348 1 5 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.280 0.018 17948 2349 1 5 . 1 1 98 98 GLY H H 98 7.899 7.899 7.717 0.182 17948 2350 1 5 . 1 1 99 99 ARG N N 99 119.471 119.471 120.711 -1.240 17948 2351 1 5 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.372 -0.104 17948 2352 1 5 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.769 -0.242 17948 2353 1 5 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.185 0.115 17948 2354 1 5 . 1 1 99 99 ARG H H 99 7.696 7.696 7.937 -0.241 17948 2355 1 5 . 1 1 100 100 VAL N N 100 117.316 117.316 120.372 -3.056 17948 2356 1 5 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.773 0.187 17948 2357 1 5 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.823 -1.423 17948 2358 1 5 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.610 0.710 17948 2359 1 5 . 1 1 100 100 VAL H H 100 7.906 7.906 7.525 0.381 17948 2360 1 5 . 1 1 101 101 HIS N N 101 119.155 119.155 118.349 0.806 17948 2361 1 5 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.348 0.353 17948 2362 1 5 . 1 1 101 101 HIS CA C 101 56.200 56.200 58.005 -1.805 17948 2363 1 5 . 1 1 101 101 HIS CB C 101 30.048 30.048 30.309 -0.261 17948 2364 1 5 . 1 1 101 101 HIS H H 101 8.130 8.130 7.722 0.408 17948 2365 1 5 . 1 1 102 102 GLY N N 102 109.145 109.145 106.979 2.166 17948 2366 1 5 . 1 1 102 102 GLY CA C 102 45.333 45.333 44.844 0.489 17948 2367 1 5 . 1 1 102 102 GLY H H 102 8.086 8.086 8.009 0.077 17948 2368 1 5 . 1 1 103 103 GLU N N 103 119.345 119.345 121.875 -2.530 17948 2369 1 5 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.428 -0.098 17948 2370 1 5 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.135 6.165 17948 2371 1 5 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.631 1.123 17948 2372 1 5 . 1 1 103 103 GLU H H 103 7.932 7.932 8.236 -0.304 17948 2373 1 5 . 1 1 104 104 GLU N N 104 122.105 122.105 121.333 0.772 17948 2374 1 5 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.596 -0.324 17948 2375 1 5 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.526 -0.294 17948 2376 1 5 . 1 1 104 104 GLU CB C 104 30.500 30.500 30.634 -0.134 17948 2377 1 5 . 1 1 104 104 GLU H H 104 8.325 8.325 8.474 -0.149 17948 2378 1 5 . 1 1 105 105 ASP N N 105 124.188 124.188 123.063 1.125 17948 2379 1 5 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.721 -0.111 17948 2380 1 5 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.014 1.506 17948 2381 1 5 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.381 -0.681 17948 2382 1 5 . 1 1 105 105 ASP H H 105 8.077 8.077 8.537 -0.460 17948 2383 1 5 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.598 -0.114 17948 2384 1 5 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.853 0.971 17948 2385 1 5 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.529 -0.329 17948 2386 1 5 . 1 1 107 107 THR N N 107 111.950 111.950 112.623 -0.673 17948 2387 1 5 . 1 1 107 107 THR HA H 107 4.273 4.273 4.258 0.015 17948 2388 1 5 . 1 1 107 107 THR CA C 107 62.700 62.700 61.880 0.820 17948 2389 1 5 . 1 1 107 107 THR CB C 107 69.400 69.400 69.102 0.298 17948 2390 1 5 . 1 1 107 107 THR H H 107 8.339 8.339 7.943 0.396 17948 2391 1 5 . 1 1 108 108 LYS N N 108 123.349 123.349 122.021 1.328 17948 2392 1 5 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.012 0.345 17948 2393 1 5 . 1 1 108 108 LYS CA C 108 56.000 56.000 57.265 -1.265 17948 2394 1 5 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.409 0.391 17948 2395 1 5 . 1 1 108 108 LYS H H 108 7.727 7.727 8.071 -0.344 17948 2396 1 6 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.616 -0.006 17948 2397 1 6 . 1 1 3 3 ASP H H 3 8.330 8.330 8.360 -0.030 17948 2398 1 6 . 1 1 4 4 ALA N N 4 124.218 124.218 125.267 -1.049 17948 2399 1 6 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.342 -0.082 17948 2400 1 6 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.580 0.420 17948 2401 1 6 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.732 -0.766 17948 2402 1 6 . 1 1 4 4 ALA H H 4 8.180 8.180 8.265 -0.085 17948 2403 1 6 . 1 1 5 5 GLY N N 5 107.349 107.349 108.769 -1.420 17948 2404 1 6 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.902 0.198 17948 2405 1 6 . 1 1 5 5 GLY H H 5 8.344 8.344 8.409 -0.065 17948 2406 1 6 . 1 1 6 6 ARG N N 6 119.351 119.351 118.541 0.810 17948 2407 1 6 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.182 0.088 17948 2408 1 6 . 1 1 6 6 ARG H H 6 7.971 7.971 8.566 -0.595 17948 2409 1 6 . 1 1 7 7 LYS N N 7 122.700 122.700 120.685 2.015 17948 2410 1 6 . 1 1 7 7 LYS HA H 7 4.280 4.280 5.152 -0.872 17948 2411 1 6 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.490 0.910 17948 2412 1 6 . 1 1 7 7 LYS CB C 7 32.900 32.900 35.635 -2.735 17948 2413 1 6 . 1 1 7 7 LYS H H 7 8.034 8.034 8.441 -0.407 17948 2414 1 6 . 1 1 8 8 GLY H H 8 8.340 8.340 8.522 -0.182 17948 2415 1 6 . 1 1 9 9 PHE N N 9 122.017 122.017 118.853 3.164 17948 2416 1 6 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.747 -0.127 17948 2417 1 6 . 1 1 9 9 PHE CA C 9 56.000 56.000 57.203 -1.203 17948 2418 1 6 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.374 0.576 17948 2419 1 6 . 1 1 9 9 PHE H H 9 8.093 8.093 7.871 0.222 17948 2420 1 6 . 1 1 10 10 GLY N N 10 120.389 120.389 109.601 10.788 17948 2421 1 6 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.691 0.863 17948 2422 1 6 . 1 1 10 10 GLY H H 10 7.996 7.996 9.335 -1.339 17948 2423 1 6 . 1 1 11 11 GLU N N 11 120.847 120.847 120.214 0.633 17948 2424 1 6 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.872 -0.612 17948 2425 1 6 . 1 1 11 11 GLU CA C 11 57.061 57.061 55.673 1.388 17948 2426 1 6 . 1 1 11 11 GLU CB C 11 30.200 30.200 32.017 -1.817 17948 2427 1 6 . 1 1 11 11 GLU H H 11 8.168 8.168 9.123 -0.955 17948 2428 1 6 . 1 1 12 12 LYS N N 12 121.524 121.524 121.044 0.480 17948 2429 1 6 . 1 1 12 12 LYS HA H 12 4.280 4.280 5.136 -0.856 17948 2430 1 6 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.443 1.109 17948 2431 1 6 . 1 1 12 12 LYS CB C 12 32.800 32.800 34.477 -1.677 17948 2432 1 6 . 1 1 12 12 LYS H H 12 8.273 8.273 8.695 -0.422 17948 2433 1 6 . 1 1 13 13 ALA N N 13 124.765 124.765 125.154 -0.389 17948 2434 1 6 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.968 -0.708 17948 2435 1 6 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.652 1.404 17948 2436 1 6 . 1 1 13 13 ALA CB C 13 18.900 18.900 20.862 -1.962 17948 2437 1 6 . 1 1 13 13 ALA H H 13 8.288 8.288 8.915 -0.627 17948 2438 1 6 . 1 1 14 14 SER N N 14 114.047 114.047 117.426 -3.379 17948 2439 1 6 . 1 1 14 14 SER HA H 14 4.342 4.342 4.864 -0.522 17948 2440 1 6 . 1 1 14 14 SER CA C 14 58.918 58.918 58.255 0.662 17948 2441 1 6 . 1 1 14 14 SER CB C 14 63.539 63.539 64.337 -0.798 17948 2442 1 6 . 1 1 14 14 SER H H 14 8.145 8.145 8.791 -0.646 17948 2443 1 6 . 1 1 15 15 GLU N N 15 122.145 122.145 123.950 -1.805 17948 2444 1 6 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.599 -0.339 17948 2445 1 6 . 1 1 15 15 GLU CA C 15 48.017 48.017 57.733 -9.716 17948 2446 1 6 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.739 -0.398 17948 2447 1 6 . 1 1 15 15 GLU H H 15 8.223 8.223 8.733 -0.510 17948 2448 1 6 . 1 1 16 16 ALA N N 16 123.491 123.491 126.267 -2.776 17948 2449 1 6 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.530 -0.246 17948 2450 1 6 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.903 -0.403 17948 2451 1 6 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.411 -0.211 17948 2452 1 6 . 1 1 16 16 ALA H H 16 8.033 8.033 8.575 -0.542 17948 2453 1 6 . 1 1 17 17 LEU N N 17 120.066 120.066 122.268 -2.202 17948 2454 1 6 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.537 -0.203 17948 2455 1 6 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.454 -0.554 17948 2456 1 6 . 1 1 17 17 LEU CB C 17 42.300 42.300 43.881 -1.581 17948 2457 1 6 . 1 1 17 17 LEU H H 17 7.901 7.901 8.173 -0.272 17948 2458 1 6 . 1 1 18 18 LYS N N 18 122.658 122.658 123.341 -0.683 17948 2459 1 6 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.543 -0.263 17948 2460 1 6 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.340 -1.340 17948 2461 1 6 . 1 1 18 18 LYS CB C 18 32.637 32.637 32.714 -0.077 17948 2462 1 6 . 1 1 18 18 LYS H H 18 8.081 8.081 8.454 -0.373 17948 2463 1 6 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.650 -0.223 17948 2464 1 6 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.361 -0.061 17948 2465 1 6 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.980 -0.080 17948 2466 1 6 . 1 1 20 20 ASP N N 20 119.912 119.912 117.488 2.424 17948 2467 1 6 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.723 -0.152 17948 2468 1 6 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.722 0.778 17948 2469 1 6 . 1 1 20 20 ASP CB C 20 40.900 40.900 40.572 0.328 17948 2470 1 6 . 1 1 20 20 ASP H H 20 8.398 8.398 8.149 0.249 17948 2471 1 6 . 1 1 21 21 SER N N 21 115.552 115.552 117.419 -1.867 17948 2472 1 6 . 1 1 21 21 SER HA H 21 4.513 4.513 4.554 -0.041 17948 2473 1 6 . 1 1 21 21 SER CA C 21 58.726 58.726 58.560 0.166 17948 2474 1 6 . 1 1 21 21 SER CB C 21 63.709 63.709 64.093 -0.384 17948 2475 1 6 . 1 1 21 21 SER H H 21 8.113 8.113 8.241 -0.128 17948 2476 1 6 . 1 1 22 22 GLN N N 22 119.920 119.920 122.242 -2.322 17948 2477 1 6 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.612 -0.332 17948 2478 1 6 . 1 1 22 22 GLN H H 22 8.224 8.224 8.569 -0.345 17948 2479 1 6 . 1 1 23 23 LYS N N 23 121.734 121.734 120.225 1.509 17948 2480 1 6 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.356 -0.076 17948 2481 1 6 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.156 0.017 17948 2482 1 6 . 1 1 23 23 LYS CB C 23 30.593 30.593 33.591 -2.998 17948 2483 1 6 . 1 1 23 23 LYS H H 23 8.415 8.415 7.804 0.611 17948 2484 1 6 . 1 1 24 24 SER N N 24 126.408 126.408 114.960 11.448 17948 2485 1 6 . 1 1 24 24 SER HA H 24 4.510 4.510 4.667 -0.157 17948 2486 1 6 . 1 1 24 24 SER CA C 24 57.341 57.341 57.644 -0.303 17948 2487 1 6 . 1 1 24 24 SER CB C 24 63.800 63.800 64.261 -0.461 17948 2488 1 6 . 1 1 24 24 SER H H 24 7.595 7.595 8.025 -0.430 17948 2489 1 6 . 1 1 25 25 TYR N N 25 120.790 120.790 123.794 -3.004 17948 2490 1 6 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.441 0.015 17948 2491 1 6 . 1 1 25 25 TYR CA C 25 59.736 59.736 59.118 0.618 17948 2492 1 6 . 1 1 25 25 TYR CB C 25 38.069 38.069 38.240 -0.171 17948 2493 1 6 . 1 1 25 25 TYR H H 25 8.370 8.370 8.668 -0.298 17948 2494 1 6 . 1 1 26 26 ALA N N 26 122.684 122.684 120.532 2.152 17948 2495 1 6 . 1 1 26 26 ALA HA H 26 4.164 4.164 3.921 0.243 17948 2496 1 6 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.978 1.022 17948 2497 1 6 . 1 1 26 26 ALA CB C 26 18.900 18.900 17.905 0.995 17948 2498 1 6 . 1 1 26 26 ALA H H 26 8.405 8.405 8.236 0.169 17948 2499 1 6 . 1 1 27 27 GLU N N 27 118.504 118.504 118.644 -0.140 17948 2500 1 6 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.053 0.063 17948 2501 1 6 . 1 1 27 27 GLU CA C 27 58.000 58.000 57.372 0.628 17948 2502 1 6 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.873 0.127 17948 2503 1 6 . 1 1 27 27 GLU H H 27 7.988 7.988 8.416 -0.428 17948 2504 1 6 . 1 1 28 28 GLN N N 28 119.735 119.735 118.630 1.105 17948 2505 1 6 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.495 -0.271 17948 2506 1 6 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.622 1.978 17948 2507 1 6 . 1 1 28 28 GLN CB C 28 29.400 29.400 30.494 -1.094 17948 2508 1 6 . 1 1 28 28 GLN H H 28 8.282 8.282 8.385 -0.103 17948 2509 1 6 . 1 1 29 29 GLY N N 29 108.734 108.734 110.896 -2.162 17948 2510 1 6 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.924 1.476 17948 2511 1 6 . 1 1 29 29 GLY H H 29 8.645 8.645 8.725 -0.080 17948 2512 1 6 . 1 1 30 30 LYS N N 30 120.800 120.800 121.067 -0.267 17948 2513 1 6 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.880 -0.600 17948 2514 1 6 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.487 2.505 17948 2515 1 6 . 1 1 30 30 LYS CB C 30 29.800 29.800 34.765 -4.965 17948 2516 1 6 . 1 1 30 30 LYS H H 30 8.140 8.140 8.539 -0.399 17948 2517 1 6 . 1 1 31 31 GLU N N 31 119.994 119.994 119.528 0.466 17948 2518 1 6 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.926 -0.666 17948 2519 1 6 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.510 3.890 17948 2520 1 6 . 1 1 31 31 GLU CB C 31 32.521 32.521 31.522 0.999 17948 2521 1 6 . 1 1 31 31 GLU H H 31 8.039 8.039 8.702 -0.663 17948 2522 1 6 . 1 1 32 32 TYR N N 32 119.254 119.254 119.891 -0.637 17948 2523 1 6 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.731 -0.101 17948 2524 1 6 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.336 0.684 17948 2525 1 6 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.896 -0.736 17948 2526 1 6 . 1 1 32 32 TYR H H 32 7.994 7.994 8.598 -0.604 17948 2527 1 6 . 1 1 33 33 ILE N N 33 121.600 121.600 120.108 1.492 17948 2528 1 6 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.926 -0.902 17948 2529 1 6 . 1 1 33 33 ILE CA C 33 62.100 62.100 59.958 2.142 17948 2530 1 6 . 1 1 33 33 ILE CB C 33 38.300 38.300 40.630 -2.330 17948 2531 1 6 . 1 1 33 33 ILE H H 33 8.260 8.260 8.982 -0.722 17948 2532 1 6 . 1 1 34 34 THR N N 34 115.849 115.849 114.197 1.652 17948 2533 1 6 . 1 1 34 34 THR HA H 34 4.480 4.480 4.772 -0.292 17948 2534 1 6 . 1 1 34 34 THR CA C 34 63.600 63.600 61.522 2.078 17948 2535 1 6 . 1 1 34 34 THR CB C 34 69.300 69.300 72.245 -2.945 17948 2536 1 6 . 1 1 34 34 THR H H 34 8.082 8.082 8.584 -0.502 17948 2537 1 6 . 1 1 35 35 ASP N N 35 122.190 122.190 119.901 2.289 17948 2538 1 6 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.668 -0.114 17948 2539 1 6 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.466 0.934 17948 2540 1 6 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.401 0.099 17948 2541 1 6 . 1 1 35 35 ASP H H 35 8.102 8.102 8.599 -0.497 17948 2542 1 6 . 1 1 36 36 LYS N N 36 119.451 119.451 119.699 -0.248 17948 2543 1 6 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.006 0.204 17948 2544 1 6 . 1 1 36 36 LYS CA C 36 56.500 56.500 57.015 -0.515 17948 2545 1 6 . 1 1 36 36 LYS CB C 36 32.500 32.500 31.744 0.756 17948 2546 1 6 . 1 1 36 36 LYS H H 36 7.983 7.983 7.959 0.024 17948 2547 1 6 . 1 1 37 37 ALA N N 37 123.038 123.038 122.678 0.360 17948 2548 1 6 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.073 0.108 17948 2549 1 6 . 1 1 37 37 ALA CA C 37 53.600 53.600 54.280 -0.680 17948 2550 1 6 . 1 1 37 37 ALA CB C 37 18.800 18.800 17.886 0.914 17948 2551 1 6 . 1 1 37 37 ALA H H 37 8.241 8.241 8.535 -0.294 17948 2552 1 6 . 1 1 38 38 ASP N N 38 118.323 118.323 121.362 -3.039 17948 2553 1 6 . 1 1 38 38 ASP HA H 38 4.504 4.504 5.100 -0.596 17948 2554 1 6 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.369 1.731 17948 2555 1 6 . 1 1 38 38 ASP CB C 38 41.000 41.000 42.083 -1.083 17948 2556 1 6 . 1 1 38 38 ASP H H 38 8.144 8.144 8.322 -0.178 17948 2557 1 6 . 1 1 39 39 LYS N N 39 120.011 120.011 120.825 -0.814 17948 2558 1 6 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.864 -0.589 17948 2559 1 6 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.571 1.329 17948 2560 1 6 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.980 -1.226 17948 2561 1 6 . 1 1 39 39 LYS H H 39 7.960 7.960 8.524 -0.564 17948 2562 1 6 . 1 1 40 40 VAL N N 40 119.113 119.113 117.003 2.110 17948 2563 1 6 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.865 -0.821 17948 2564 1 6 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.180 1.720 17948 2565 1 6 . 1 1 40 40 VAL CB C 40 32.500 32.500 34.133 -1.633 17948 2566 1 6 . 1 1 40 40 VAL H H 40 7.948 7.948 8.649 -0.701 17948 2567 1 6 . 1 1 41 41 ALA N N 41 125.220 125.220 122.461 2.759 17948 2568 1 6 . 1 1 41 41 ALA HA H 41 4.294 4.294 5.394 -1.100 17948 2569 1 6 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.587 1.313 17948 2570 1 6 . 1 1 41 41 ALA CB C 41 19.100 19.100 20.948 -1.848 17948 2571 1 6 . 1 1 41 41 ALA H H 41 8.168 8.168 9.361 -1.194 17948 2572 1 6 . 1 1 42 42 GLY N N 42 107.007 107.007 107.274 -0.267 17948 2573 1 6 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.810 0.590 17948 2574 1 6 . 1 1 42 42 GLY H H 42 8.130 8.130 8.875 -0.745 17948 2575 1 6 . 1 1 43 43 LYS N N 43 122.310 122.310 121.018 1.292 17948 2576 1 6 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.400 -0.029 17948 2577 1 6 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.266 -0.266 17948 2578 1 6 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.422 -0.422 17948 2579 1 6 . 1 1 43 43 LYS H H 43 8.253 8.253 8.083 0.170 17948 2580 1 6 . 1 1 44 44 VAL N N 44 120.734 120.734 124.097 -3.363 17948 2581 1 6 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.334 -0.194 17948 2582 1 6 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.764 -0.764 17948 2583 1 6 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.311 0.389 17948 2584 1 6 . 1 1 44 44 VAL H H 44 8.026 8.026 8.429 -0.403 17948 2585 1 6 . 1 1 45 45 GLN N N 45 124.893 124.893 126.851 -1.958 17948 2586 1 6 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.630 -0.350 17948 2587 1 6 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.581 -1.181 17948 2588 1 6 . 1 1 45 45 GLN CB C 45 29.000 29.000 30.004 -1.004 17948 2589 1 6 . 1 1 45 45 GLN H H 45 8.385 8.385 8.642 -0.257 17948 2590 1 6 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.688 -0.517 17948 2591 1 6 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.017 -1.217 17948 2592 1 6 . 1 1 46 46 PRO CB C 46 32.929 32.929 33.125 -0.196 17948 2593 1 6 . 1 1 47 47 GLU N N 47 123.526 123.526 118.253 5.273 17948 2594 1 6 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.403 -0.143 17948 2595 1 6 . 1 1 47 47 GLU CA C 47 56.200 56.200 55.907 0.293 17948 2596 1 6 . 1 1 47 47 GLU CB C 47 30.700 30.700 31.192 -0.492 17948 2597 1 6 . 1 1 47 47 GLU H H 47 8.039 8.039 8.516 -0.477 17948 2598 1 6 . 1 1 48 48 ASP N N 48 122.131 122.131 121.139 0.992 17948 2599 1 6 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.937 -0.339 17948 2600 1 6 . 1 1 48 48 ASP CA C 48 56.330 56.330 53.153 3.178 17948 2601 1 6 . 1 1 48 48 ASP CB C 48 30.700 30.700 42.261 -11.561 17948 2602 1 6 . 1 1 48 48 ASP H H 48 8.402 8.402 8.383 0.019 17948 2603 1 6 . 1 1 49 49 ASN N N 49 121.154 121.154 118.015 3.139 17948 2604 1 6 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.641 0.059 17948 2605 1 6 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.773 -2.173 17948 2606 1 6 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.167 2.406 17948 2607 1 6 . 1 1 49 49 ASN H H 49 8.338 8.338 8.434 -0.096 17948 2608 1 6 . 1 1 50 50 LYS N N 50 120.660 120.660 121.146 -0.486 17948 2609 1 6 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.291 0.008 17948 2610 1 6 . 1 1 50 50 LYS H H 50 8.247 8.247 7.980 0.267 17948 2611 1 6 . 1 1 51 51 GLY N N 51 108.915 108.915 107.226 1.689 17948 2612 1 6 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.511 -0.111 17948 2613 1 6 . 1 1 51 51 GLY H H 51 8.320 8.320 8.615 -0.295 17948 2614 1 6 . 1 1 52 52 VAL N N 52 118.906 118.906 118.830 0.076 17948 2615 1 6 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.785 -0.739 17948 2616 1 6 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.771 0.629 17948 2617 1 6 . 1 1 52 52 VAL CB C 52 32.500 32.500 34.295 -1.795 17948 2618 1 6 . 1 1 52 52 VAL H H 52 7.836 7.836 8.481 -0.645 17948 2619 1 6 . 1 1 53 53 PHE N N 53 123.002 123.002 127.319 -4.317 17948 2620 1 6 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.852 -0.204 17948 2621 1 6 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.166 -0.566 17948 2622 1 6 . 1 1 53 53 PHE CB C 53 39.400 39.400 39.619 -0.219 17948 2623 1 6 . 1 1 53 53 PHE H H 53 8.284 8.284 8.923 -0.639 17948 2624 1 6 . 1 1 54 54 GLN N N 54 122.278 122.278 123.636 -1.358 17948 2625 1 6 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.447 -0.134 17948 2626 1 6 . 1 1 54 54 GLN CA C 54 55.800 55.800 54.719 1.081 17948 2627 1 6 . 1 1 54 54 GLN CB C 54 29.500 29.500 30.742 -1.242 17948 2628 1 6 . 1 1 54 54 GLN H H 54 8.223 8.223 8.404 -0.181 17948 2629 1 6 . 1 1 55 55 GLY N N 55 109.285 109.285 109.626 -0.341 17948 2630 1 6 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.816 -0.616 17948 2631 1 6 . 1 1 55 55 GLY H H 55 7.900 7.900 8.506 -0.606 17948 2632 1 6 . 1 1 56 56 VAL H H 56 7.898 7.898 7.764 0.134 17948 2633 1 6 . 1 1 57 57 HIS N N 57 120.411 120.411 116.595 3.816 17948 2634 1 6 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.243 0.006 17948 2635 1 6 . 1 1 57 57 HIS H H 57 8.529 8.529 8.208 0.321 17948 2636 1 6 . 1 1 58 58 ASP N N 58 120.960 120.960 118.979 1.981 17948 2637 1 6 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.569 0.041 17948 2638 1 6 . 1 1 58 58 ASP H H 58 8.234 8.234 8.185 0.049 17948 2639 1 6 . 1 1 59 59 SER N N 59 116.391 116.391 114.907 1.484 17948 2640 1 6 . 1 1 59 59 SER HA H 59 4.398 4.398 5.145 -0.747 17948 2641 1 6 . 1 1 59 59 SER CA C 59 58.500 58.500 57.633 0.867 17948 2642 1 6 . 1 1 59 59 SER CB C 59 63.700 63.700 65.276 -1.576 17948 2643 1 6 . 1 1 59 59 SER H H 59 8.248 8.248 8.454 -0.206 17948 2644 1 6 . 1 1 60 60 ALA N N 60 125.620 125.620 123.467 2.153 17948 2645 1 6 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.410 -0.102 17948 2646 1 6 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.083 0.717 17948 2647 1 6 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.062 0.099 17948 2648 1 6 . 1 1 60 60 ALA H H 60 8.290 8.290 7.982 0.308 17948 2649 1 6 . 1 1 61 61 GLU N N 61 119.550 119.550 120.907 -1.357 17948 2650 1 6 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.149 0.102 17948 2651 1 6 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.774 -0.174 17948 2652 1 6 . 1 1 61 61 GLU CB C 61 30.100 30.100 29.451 0.649 17948 2653 1 6 . 1 1 61 61 GLU H H 61 8.206 8.206 8.430 -0.224 17948 2654 1 6 . 1 1 62 62 LYS N N 62 122.003 122.003 122.904 -0.901 17948 2655 1 6 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.550 -0.250 17948 2656 1 6 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.221 0.579 17948 2657 1 6 . 1 1 62 62 LYS CB C 62 32.900 32.900 33.123 -0.223 17948 2658 1 6 . 1 1 62 62 LYS H H 62 8.157 8.157 8.348 -0.191 17948 2659 1 6 . 1 1 63 63 GLY N N 63 109.728 109.728 109.929 -0.201 17948 2660 1 6 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.010 0.291 17948 2661 1 6 . 1 1 63 63 GLY H H 63 8.371 8.371 8.668 -0.297 17948 2662 1 6 . 1 1 64 64 LYS N N 64 120.537 120.537 118.870 1.667 17948 2663 1 6 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.064 0.276 17948 2664 1 6 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.966 -0.766 17948 2665 1 6 . 1 1 64 64 LYS CB C 64 33.000 33.000 32.806 0.194 17948 2666 1 6 . 1 1 64 64 LYS H H 64 8.078 8.078 7.896 0.182 17948 2667 1 6 . 1 1 65 65 ASP N N 65 120.981 120.981 120.155 0.826 17948 2668 1 6 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.661 -0.071 17948 2669 1 6 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.722 0.578 17948 2670 1 6 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.786 -0.586 17948 2671 1 6 . 1 1 65 65 ASP H H 65 8.336 8.336 8.274 0.062 17948 2672 1 6 . 1 1 66 66 ASN N N 66 119.056 119.056 117.077 1.979 17948 2673 1 6 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.365 0.326 17948 2674 1 6 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.843 -0.643 17948 2675 1 6 . 1 1 66 66 ASN CB C 66 39.000 39.000 37.756 1.244 17948 2676 1 6 . 1 1 66 66 ASN H H 66 8.280 8.280 8.657 -0.377 17948 2677 1 6 . 1 1 67 67 ALA N N 67 124.164 124.164 122.104 2.060 17948 2678 1 6 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.017 0.296 17948 2679 1 6 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.573 0.151 17948 2680 1 6 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.025 0.146 17948 2681 1 6 . 1 1 67 67 ALA H H 67 8.248 8.248 8.336 -0.088 17948 2682 1 6 . 1 1 68 68 GLU N N 68 119.599 119.599 121.377 -1.778 17948 2683 1 6 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.581 -0.299 17948 2684 1 6 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.427 1.385 17948 2685 1 6 . 1 1 68 68 GLU CB C 68 30.126 30.126 30.989 -0.863 17948 2686 1 6 . 1 1 68 68 GLU H H 68 8.295 8.295 8.449 -0.154 17948 2687 1 6 . 1 1 69 69 GLY N N 69 109.616 109.616 107.141 2.475 17948 2688 1 6 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.859 0.581 17948 2689 1 6 . 1 1 69 69 GLY H H 69 8.348 8.348 8.240 0.108 17948 2690 1 6 . 1 1 70 70 GLN N N 70 119.476 119.476 118.705 0.771 17948 2691 1 6 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.505 -0.117 17948 2692 1 6 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.375 0.485 17948 2693 1 6 . 1 1 70 70 GLN CB C 70 29.500 29.500 30.026 -0.527 17948 2694 1 6 . 1 1 70 70 GLN H H 70 8.200 8.200 8.513 -0.313 17948 2695 1 6 . 1 1 71 71 GLY N N 71 109.928 109.928 108.132 1.796 17948 2696 1 6 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.252 0.108 17948 2697 1 6 . 1 1 71 71 GLY H H 71 8.438 8.438 8.065 0.373 17948 2698 1 6 . 1 1 72 72 GLU N N 72 120.438 120.438 118.726 1.712 17948 2699 1 6 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.521 -0.123 17948 2700 1 6 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.218 0.182 17948 2701 1 6 . 1 1 72 72 GLU CB C 72 30.700 30.700 32.657 -1.956 17948 2702 1 6 . 1 1 72 72 GLU H H 72 8.296 8.296 7.956 0.340 17948 2703 1 6 . 1 1 73 73 SER N N 73 117.699 117.699 114.775 2.924 17948 2704 1 6 . 1 1 73 73 SER HA H 73 4.601 4.601 4.166 0.435 17948 2705 1 6 . 1 1 73 73 SER CA C 73 58.011 58.011 58.747 -0.736 17948 2706 1 6 . 1 1 73 73 SER CB C 73 64.816 64.816 63.464 1.352 17948 2707 1 6 . 1 1 73 73 SER H H 73 8.666 8.666 8.808 -0.142 17948 2708 1 6 . 1 1 74 74 LEU N N 74 125.422 125.422 122.180 3.242 17948 2709 1 6 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.100 0.141 17948 2710 1 6 . 1 1 74 74 LEU CA C 74 57.723 57.723 57.096 0.627 17948 2711 1 6 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.250 0.905 17948 2712 1 6 . 1 1 74 74 LEU H H 74 8.899 8.899 8.635 0.264 17948 2713 1 6 . 1 1 75 75 ALA N N 75 120.685 120.685 121.955 -1.270 17948 2714 1 6 . 1 1 75 75 ALA HA H 75 4.021 4.021 4.031 -0.010 17948 2715 1 6 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.418 0.382 17948 2716 1 6 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.404 0.196 17948 2717 1 6 . 1 1 75 75 ALA H H 75 8.389 8.389 7.927 0.462 17948 2718 1 6 . 1 1 76 76 ASP N N 76 117.754 117.754 118.999 -1.245 17948 2719 1 6 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.293 0.141 17948 2720 1 6 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.802 -1.102 17948 2721 1 6 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.596 0.087 17948 2722 1 6 . 1 1 76 76 ASP H H 76 7.777 7.777 7.972 -0.195 17948 2723 1 6 . 1 1 77 77 GLN N N 77 119.402 119.402 117.542 1.860 17948 2724 1 6 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.051 0.170 17948 2725 1 6 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.619 -0.775 17948 2726 1 6 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.380 1.222 17948 2727 1 6 . 1 1 77 77 GLN H H 77 8.038 8.038 8.233 -0.195 17948 2728 1 6 . 1 1 78 78 ALA N N 78 121.376 121.376 122.420 -1.044 17948 2729 1 6 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.041 0.130 17948 2730 1 6 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.936 -0.386 17948 2731 1 6 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.288 0.566 17948 2732 1 6 . 1 1 78 78 ALA H H 78 8.427 8.427 7.518 0.909 17948 2733 1 6 . 1 1 79 79 ARG N N 79 117.905 117.905 118.100 -0.195 17948 2734 1 6 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.057 -0.039 17948 2735 1 6 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.576 0.717 17948 2736 1 6 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.468 0.691 17948 2737 1 6 . 1 1 79 79 ARG H H 79 8.031 8.031 8.164 -0.133 17948 2738 1 6 . 1 1 80 80 ASP N N 80 120.290 120.290 119.853 0.437 17948 2739 1 6 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.471 0.090 17948 2740 1 6 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.429 -1.153 17948 2741 1 6 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.964 -0.464 17948 2742 1 6 . 1 1 80 80 ASP H H 80 8.126 8.126 8.114 0.012 17948 2743 1 6 . 1 1 81 81 TYR N N 81 120.191 120.191 120.192 -0.001 17948 2744 1 6 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.319 0.021 17948 2745 1 6 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.591 0.528 17948 2746 1 6 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.673 -0.173 17948 2747 1 6 . 1 1 81 81 TYR H H 81 8.250 8.250 7.617 0.633 17948 2748 1 6 . 1 1 82 82 MET N N 82 117.996 117.996 118.881 -0.885 17948 2749 1 6 . 1 1 82 82 MET HA H 82 4.222 4.222 3.962 0.260 17948 2750 1 6 . 1 1 82 82 MET CA C 82 58.618 58.618 59.753 -1.135 17948 2751 1 6 . 1 1 82 82 MET CB C 82 32.875 32.875 32.272 0.603 17948 2752 1 6 . 1 1 82 82 MET H H 82 8.354 8.354 8.512 -0.158 17948 2753 1 6 . 1 1 83 83 GLY N N 83 106.902 106.902 104.637 2.265 17948 2754 1 6 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.192 0.008 17948 2755 1 6 . 1 1 83 83 GLY H H 83 8.365 8.365 7.820 0.545 17948 2756 1 6 . 1 1 84 84 ALA N N 84 124.830 124.830 123.275 1.555 17948 2757 1 6 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.278 0.040 17948 2758 1 6 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.851 0.427 17948 2759 1 6 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.195 0.374 17948 2760 1 6 . 1 1 84 84 ALA H H 84 7.950 7.950 7.269 0.681 17948 2761 1 6 . 1 1 85 85 ALA N N 85 120.542 120.542 121.130 -0.588 17948 2762 1 6 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.902 0.135 17948 2763 1 6 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.880 0.099 17948 2764 1 6 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.182 0.318 17948 2765 1 6 . 1 1 85 85 ALA H H 85 8.274 8.274 8.046 0.228 17948 2766 1 6 . 1 1 86 86 LYS N N 86 116.920 116.920 118.945 -2.025 17948 2767 1 6 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.031 -0.144 17948 2768 1 6 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.710 1.350 17948 2769 1 6 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.699 0.601 17948 2770 1 6 . 1 1 86 86 LYS H H 86 8.265 8.265 7.635 0.630 17948 2771 1 6 . 1 1 87 87 SER N N 87 113.664 113.664 115.109 -1.445 17948 2772 1 6 . 1 1 87 87 SER HA H 87 4.312 4.312 4.154 0.158 17948 2773 1 6 . 1 1 87 87 SER CA C 87 61.330 61.330 61.612 -0.282 17948 2774 1 6 . 1 1 87 87 SER CB C 87 62.900 62.900 62.948 -0.048 17948 2775 1 6 . 1 1 87 87 SER H H 87 7.926 7.926 7.779 0.147 17948 2776 1 6 . 1 1 88 88 LYS N N 88 120.310 120.310 120.922 -0.612 17948 2777 1 6 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.026 0.360 17948 2778 1 6 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.130 -1.786 17948 2779 1 6 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.392 -0.592 17948 2780 1 6 . 1 1 88 88 LYS H H 88 7.859 7.859 7.672 0.187 17948 2781 1 6 . 1 1 89 89 LEU N N 89 119.648 119.648 121.029 -1.381 17948 2782 1 6 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.954 0.147 17948 2783 1 6 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.797 0.270 17948 2784 1 6 . 1 1 89 89 LEU CB C 89 41.500 41.500 41.031 0.469 17948 2785 1 6 . 1 1 89 89 LEU H H 89 8.158 8.158 7.781 0.377 17948 2786 1 6 . 1 1 90 90 ASN N N 90 117.422 117.422 117.115 0.307 17948 2787 1 6 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.346 0.052 17948 2788 1 6 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.834 0.225 17948 2789 1 6 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.399 0.101 17948 2790 1 6 . 1 1 90 90 ASN H H 90 8.240 8.240 7.966 0.274 17948 2791 1 6 . 1 1 91 91 ASP N N 91 119.945 119.945 118.930 1.015 17948 2792 1 6 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.460 -0.019 17948 2793 1 6 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.429 -0.085 17948 2794 1 6 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.681 -0.381 17948 2795 1 6 . 1 1 91 91 ASP H H 91 8.111 8.111 7.597 0.514 17948 2796 1 6 . 1 1 92 92 ALA N N 92 123.226 123.226 122.433 0.793 17948 2797 1 6 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.167 0.007 17948 2798 1 6 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.789 0.584 17948 2799 1 6 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.465 -0.165 17948 2800 1 6 . 1 1 92 92 ALA H H 92 8.240 8.240 7.455 0.785 17948 2801 1 6 . 1 1 93 93 VAL N N 93 117.940 117.940 119.304 -1.364 17948 2802 1 6 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.484 0.115 17948 2803 1 6 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.097 -0.204 17948 2804 1 6 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.491 0.122 17948 2805 1 6 . 1 1 93 93 VAL H H 93 8.410 8.410 8.159 0.251 17948 2806 1 6 . 1 1 94 94 GLU N N 94 120.610 120.610 119.400 1.210 17948 2807 1 6 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.898 0.152 17948 2808 1 6 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.517 0.083 17948 2809 1 6 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.550 0.050 17948 2810 1 6 . 1 1 94 94 GLU H H 94 8.289 8.289 7.907 0.382 17948 2811 1 6 . 1 1 95 95 TYR N N 95 120.241 120.241 118.866 1.375 17948 2812 1 6 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.190 0.080 17948 2813 1 6 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.793 -0.493 17948 2814 1 6 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.975 -0.275 17948 2815 1 6 . 1 1 95 95 TYR H H 95 8.186 8.186 7.409 0.777 17948 2816 1 6 . 1 1 96 96 VAL N N 96 116.942 116.942 118.167 -1.225 17948 2817 1 6 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.526 0.020 17948 2818 1 6 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.635 -0.565 17948 2819 1 6 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.675 0.070 17948 2820 1 6 . 1 1 96 96 VAL H H 96 8.394 8.394 8.214 0.180 17948 2821 1 6 . 1 1 97 97 SER N N 97 113.924 113.924 114.755 -0.831 17948 2822 1 6 . 1 1 97 97 SER HA H 97 4.145 4.145 4.129 0.016 17948 2823 1 6 . 1 1 97 97 SER CA C 97 61.393 61.393 60.935 0.458 17948 2824 1 6 . 1 1 97 97 SER CB C 97 63.415 63.415 62.824 0.591 17948 2825 1 6 . 1 1 97 97 SER H H 97 8.433 8.433 8.628 -0.195 17948 2826 1 6 . 1 1 98 98 GLY N N 98 107.509 107.509 106.852 0.657 17948 2827 1 6 . 1 1 98 98 GLY CA C 98 46.298 46.298 45.841 0.457 17948 2828 1 6 . 1 1 98 98 GLY H H 98 7.899 7.899 7.409 0.490 17948 2829 1 6 . 1 1 99 99 ARG N N 99 119.471 119.471 119.523 -0.052 17948 2830 1 6 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.217 0.051 17948 2831 1 6 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.597 -0.070 17948 2832 1 6 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.430 -0.130 17948 2833 1 6 . 1 1 99 99 ARG H H 99 7.696 7.696 7.557 0.139 17948 2834 1 6 . 1 1 100 100 VAL N N 100 117.316 117.316 118.537 -1.221 17948 2835 1 6 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.846 0.114 17948 2836 1 6 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.821 -1.421 17948 2837 1 6 . 1 1 100 100 VAL CB C 100 32.320 32.320 32.557 -0.237 17948 2838 1 6 . 1 1 100 100 VAL H H 100 7.906 7.906 7.442 0.464 17948 2839 1 6 . 1 1 101 101 HIS N N 101 119.155 119.155 113.502 5.653 17948 2840 1 6 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.575 0.126 17948 2841 1 6 . 1 1 101 101 HIS CA C 101 56.200 56.200 54.851 1.349 17948 2842 1 6 . 1 1 101 101 HIS CB C 101 30.048 30.048 32.056 -2.008 17948 2843 1 6 . 1 1 101 101 HIS H H 101 8.130 8.130 7.833 0.297 17948 2844 1 6 . 1 1 102 102 GLY N N 102 109.145 109.145 109.024 0.121 17948 2845 1 6 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.670 -0.337 17948 2846 1 6 . 1 1 102 102 GLY H H 102 8.086 8.086 8.296 -0.210 17948 2847 1 6 . 1 1 103 103 GLU N N 103 119.345 119.345 121.450 -2.105 17948 2848 1 6 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.552 -0.222 17948 2849 1 6 . 1 1 103 103 GLU CA C 103 62.300 62.300 55.903 6.397 17948 2850 1 6 . 1 1 103 103 GLU CB C 103 32.754 32.754 32.322 0.432 17948 2851 1 6 . 1 1 103 103 GLU H H 103 7.932 7.932 8.937 -1.005 17948 2852 1 6 . 1 1 104 104 GLU N N 104 122.105 122.105 119.702 2.403 17948 2853 1 6 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.659 -0.387 17948 2854 1 6 . 1 1 104 104 GLU CA C 104 56.232 56.232 55.724 0.507 17948 2855 1 6 . 1 1 104 104 GLU CB C 104 30.500 30.500 32.267 -1.767 17948 2856 1 6 . 1 1 104 104 GLU H H 104 8.325 8.325 8.586 -0.261 17948 2857 1 6 . 1 1 105 105 ASP N N 105 124.188 124.188 119.681 4.507 17948 2858 1 6 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.770 -0.160 17948 2859 1 6 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.338 1.182 17948 2860 1 6 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.044 -0.344 17948 2861 1 6 . 1 1 105 105 ASP H H 105 8.077 8.077 8.443 -0.366 17948 2862 1 6 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.730 -0.246 17948 2863 1 6 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.953 0.871 17948 2864 1 6 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.504 -0.304 17948 2865 1 6 . 1 1 107 107 THR N N 107 111.950 111.950 108.527 3.423 17948 2866 1 6 . 1 1 107 107 THR HA H 107 4.273 4.273 4.741 -0.468 17948 2867 1 6 . 1 1 107 107 THR CA C 107 62.700 62.700 61.252 1.448 17948 2868 1 6 . 1 1 107 107 THR CB C 107 69.400 69.400 70.287 -0.887 17948 2869 1 6 . 1 1 107 107 THR H H 107 8.339 8.339 8.359 -0.020 17948 2870 1 6 . 1 1 108 108 LYS N N 108 123.349 123.349 120.334 3.015 17948 2871 1 6 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.140 0.217 17948 2872 1 6 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.833 -0.833 17948 2873 1 6 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.397 0.404 17948 2874 1 6 . 1 1 108 108 LYS H H 108 7.727 7.727 9.061 -1.334 17948 2875 1 7 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.539 0.071 17948 2876 1 7 . 1 1 3 3 ASP H H 3 8.330 8.330 8.530 -0.200 17948 2877 1 7 . 1 1 4 4 ALA N N 4 124.218 124.218 121.984 2.234 17948 2878 1 7 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.149 0.111 17948 2879 1 7 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.240 0.760 17948 2880 1 7 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.089 -0.124 17948 2881 1 7 . 1 1 4 4 ALA H H 4 8.180 8.180 7.819 0.361 17948 2882 1 7 . 1 1 5 5 GLY N N 5 107.349 107.349 108.473 -1.124 17948 2883 1 7 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.111 -0.012 17948 2884 1 7 . 1 1 5 5 GLY H H 5 8.344 8.344 10.114 -1.770 17948 2885 1 7 . 1 1 6 6 ARG N N 6 119.351 119.351 121.335 -1.984 17948 2886 1 7 . 1 1 6 6 ARG HA H 6 4.270 4.270 5.017 -0.747 17948 2887 1 7 . 1 1 6 6 ARG H H 6 7.971 7.971 8.833 -0.862 17948 2888 1 7 . 1 1 7 7 LYS N N 7 122.700 122.700 121.015 1.685 17948 2889 1 7 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.951 -0.671 17948 2890 1 7 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.211 0.189 17948 2891 1 7 . 1 1 7 7 LYS CB C 7 32.900 32.900 35.125 -2.225 17948 2892 1 7 . 1 1 7 7 LYS H H 7 8.034 8.034 9.125 -1.091 17948 2893 1 7 . 1 1 8 8 GLY H H 8 8.340 8.340 8.644 -0.304 17948 2894 1 7 . 1 1 9 9 PHE N N 9 122.017 122.017 118.410 3.607 17948 2895 1 7 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.217 -0.597 17948 2896 1 7 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.575 -2.575 17948 2897 1 7 . 1 1 9 9 PHE CB C 9 39.950 39.950 40.950 -1.000 17948 2898 1 7 . 1 1 9 9 PHE H H 9 8.093 8.093 9.606 -1.513 17948 2899 1 7 . 1 1 10 10 GLY N N 10 120.389 120.389 110.076 10.313 17948 2900 1 7 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.503 1.051 17948 2901 1 7 . 1 1 10 10 GLY H H 10 7.996 7.996 8.180 -0.184 17948 2902 1 7 . 1 1 11 11 GLU N N 11 120.847 120.847 119.018 1.829 17948 2903 1 7 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.848 -0.588 17948 2904 1 7 . 1 1 11 11 GLU CA C 11 57.061 57.061 55.196 1.865 17948 2905 1 7 . 1 1 11 11 GLU CB C 11 30.200 30.200 31.748 -1.548 17948 2906 1 7 . 1 1 11 11 GLU H H 11 8.168 8.168 8.992 -0.824 17948 2907 1 7 . 1 1 12 12 LYS N N 12 121.524 121.524 120.299 1.225 17948 2908 1 7 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.813 -0.533 17948 2909 1 7 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.408 0.144 17948 2910 1 7 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.464 -0.664 17948 2911 1 7 . 1 1 12 12 LYS H H 12 8.273 8.273 8.677 -0.404 17948 2912 1 7 . 1 1 13 13 ALA N N 13 124.765 124.765 125.211 -0.446 17948 2913 1 7 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.443 -0.183 17948 2914 1 7 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.002 1.054 17948 2915 1 7 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.826 -0.926 17948 2916 1 7 . 1 1 13 13 ALA H H 13 8.288 8.288 8.339 -0.051 17948 2917 1 7 . 1 1 14 14 SER N N 14 114.047 114.047 115.764 -1.717 17948 2918 1 7 . 1 1 14 14 SER HA H 14 4.342 4.342 5.084 -0.742 17948 2919 1 7 . 1 1 14 14 SER CA C 14 58.918 58.918 58.466 0.452 17948 2920 1 7 . 1 1 14 14 SER CB C 14 63.539 63.539 64.654 -1.115 17948 2921 1 7 . 1 1 14 14 SER H H 14 8.145 8.145 8.913 -0.768 17948 2922 1 7 . 1 1 15 15 GLU N N 15 122.145 122.145 120.791 1.354 17948 2923 1 7 . 1 1 15 15 GLU HA H 15 4.260 4.260 5.013 -0.753 17948 2924 1 7 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.995 -7.978 17948 2925 1 7 . 1 1 15 15 GLU CB C 15 30.341 30.341 31.300 -0.959 17948 2926 1 7 . 1 1 15 15 GLU H H 15 8.223 8.223 8.845 -0.622 17948 2927 1 7 . 1 1 16 16 ALA N N 16 123.491 123.491 124.360 -0.869 17948 2928 1 7 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.797 -0.513 17948 2929 1 7 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.779 0.721 17948 2930 1 7 . 1 1 16 16 ALA CB C 16 19.200 19.200 20.078 -0.878 17948 2931 1 7 . 1 1 16 16 ALA H H 16 8.033 8.033 8.264 -0.231 17948 2932 1 7 . 1 1 17 17 LEU N N 17 120.066 120.066 119.838 0.228 17948 2933 1 7 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.774 -0.440 17948 2934 1 7 . 1 1 17 17 LEU CA C 17 54.900 54.900 54.498 0.402 17948 2935 1 7 . 1 1 17 17 LEU CB C 17 42.300 42.300 44.130 -1.829 17948 2936 1 7 . 1 1 17 17 LEU H H 17 7.901 7.901 8.156 -0.255 17948 2937 1 7 . 1 1 18 18 LYS N N 18 122.658 122.658 120.147 2.511 17948 2938 1 7 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.822 -0.542 17948 2939 1 7 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.754 -0.754 17948 2940 1 7 . 1 1 18 18 LYS CB C 18 32.637 32.637 33.899 -1.262 17948 2941 1 7 . 1 1 18 18 LYS H H 18 8.081 8.081 8.593 -0.512 17948 2942 1 7 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.629 -0.202 17948 2943 1 7 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.160 0.140 17948 2944 1 7 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.695 -0.795 17948 2945 1 7 . 1 1 20 20 ASP N N 20 119.912 119.912 117.374 2.538 17948 2946 1 7 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.657 -0.086 17948 2947 1 7 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.139 0.361 17948 2948 1 7 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.635 -0.735 17948 2949 1 7 . 1 1 20 20 ASP H H 20 8.398 8.398 8.455 -0.057 17948 2950 1 7 . 1 1 21 21 SER N N 21 115.552 115.552 114.654 0.898 17948 2951 1 7 . 1 1 21 21 SER HA H 21 4.513 4.513 4.249 0.264 17948 2952 1 7 . 1 1 21 21 SER CA C 21 58.726 58.726 58.710 0.016 17948 2953 1 7 . 1 1 21 21 SER CB C 21 63.709 63.709 63.433 0.276 17948 2954 1 7 . 1 1 21 21 SER H H 21 8.113 8.113 7.949 0.165 17948 2955 1 7 . 1 1 22 22 GLN N N 22 119.920 119.920 119.175 0.745 17948 2956 1 7 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.463 -0.183 17948 2957 1 7 . 1 1 22 22 GLN H H 22 8.224 8.224 8.127 0.097 17948 2958 1 7 . 1 1 23 23 LYS N N 23 121.734 121.734 120.184 1.550 17948 2959 1 7 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.407 -0.127 17948 2960 1 7 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.321 -0.148 17948 2961 1 7 . 1 1 23 23 LYS CB C 23 30.593 30.593 32.891 -2.298 17948 2962 1 7 . 1 1 23 23 LYS H H 23 8.415 8.415 8.512 -0.097 17948 2963 1 7 . 1 1 24 24 SER N N 24 126.408 126.408 113.921 12.487 17948 2964 1 7 . 1 1 24 24 SER HA H 24 4.510 4.510 4.164 0.346 17948 2965 1 7 . 1 1 24 24 SER CA C 24 57.341 57.341 58.882 -1.541 17948 2966 1 7 . 1 1 24 24 SER CB C 24 63.800 63.800 63.459 0.341 17948 2967 1 7 . 1 1 24 24 SER H H 24 7.595 7.595 7.829 -0.234 17948 2968 1 7 . 1 1 25 25 TYR N N 25 120.790 120.790 118.922 1.868 17948 2969 1 7 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.700 -0.244 17948 2970 1 7 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.397 1.339 17948 2971 1 7 . 1 1 25 25 TYR CB C 25 38.069 38.069 40.830 -2.761 17948 2972 1 7 . 1 1 25 25 TYR H H 25 8.370 8.370 8.426 -0.056 17948 2973 1 7 . 1 1 26 26 ALA N N 26 122.684 122.684 127.242 -4.558 17948 2974 1 7 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.534 -0.370 17948 2975 1 7 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.123 1.877 17948 2976 1 7 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.894 -0.994 17948 2977 1 7 . 1 1 26 26 ALA H H 26 8.405 8.405 8.440 -0.035 17948 2978 1 7 . 1 1 27 27 GLU N N 27 118.504 118.504 121.218 -2.714 17948 2979 1 7 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.964 -0.848 17948 2980 1 7 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.052 1.948 17948 2981 1 7 . 1 1 27 27 GLU CB C 27 30.000 30.000 32.587 -2.587 17948 2982 1 7 . 1 1 27 27 GLU H H 27 7.988 7.988 8.821 -0.833 17948 2983 1 7 . 1 1 28 28 GLN N N 28 119.735 119.735 121.025 -1.290 17948 2984 1 7 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.848 -0.624 17948 2985 1 7 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.500 2.100 17948 2986 1 7 . 1 1 28 28 GLN CB C 28 29.400 29.400 30.532 -1.132 17948 2987 1 7 . 1 1 28 28 GLN H H 28 8.282 8.282 8.913 -0.631 17948 2988 1 7 . 1 1 29 29 GLY N N 29 108.734 108.734 110.562 -1.828 17948 2989 1 7 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.283 1.117 17948 2990 1 7 . 1 1 29 29 GLY H H 29 8.645 8.645 8.489 0.156 17948 2991 1 7 . 1 1 30 30 LYS N N 30 120.800 120.800 119.595 1.205 17948 2992 1 7 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.099 0.181 17948 2993 1 7 . 1 1 30 30 LYS CA C 30 57.992 57.992 56.826 1.166 17948 2994 1 7 . 1 1 30 30 LYS CB C 30 29.800 29.800 32.364 -2.564 17948 2995 1 7 . 1 1 30 30 LYS H H 30 8.140 8.140 8.102 0.038 17948 2996 1 7 . 1 1 31 31 GLU N N 31 119.994 119.994 117.438 2.556 17948 2997 1 7 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.120 0.140 17948 2998 1 7 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.885 3.515 17948 2999 1 7 . 1 1 31 31 GLU CB C 31 32.521 32.521 30.597 1.924 17948 3000 1 7 . 1 1 31 31 GLU H H 31 8.039 8.039 8.102 -0.063 17948 3001 1 7 . 1 1 32 32 TYR N N 32 119.254 119.254 120.852 -1.598 17948 3002 1 7 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.669 -0.039 17948 3003 1 7 . 1 1 32 32 TYR CA C 32 58.020 58.020 58.076 -0.056 17948 3004 1 7 . 1 1 32 32 TYR CB C 32 39.160 39.160 38.903 0.257 17948 3005 1 7 . 1 1 32 32 TYR H H 32 7.994 7.994 8.203 -0.209 17948 3006 1 7 . 1 1 33 33 ILE N N 33 121.600 121.600 120.960 0.640 17948 3007 1 7 . 1 1 33 33 ILE HA H 33 4.024 4.024 3.947 0.077 17948 3008 1 7 . 1 1 33 33 ILE CA C 33 62.100 62.100 62.318 -0.218 17948 3009 1 7 . 1 1 33 33 ILE CB C 33 38.300 38.300 37.287 1.013 17948 3010 1 7 . 1 1 33 33 ILE H H 33 8.260 8.260 7.887 0.373 17948 3011 1 7 . 1 1 34 34 THR N N 34 115.849 115.849 112.826 3.023 17948 3012 1 7 . 1 1 34 34 THR HA H 34 4.480 4.480 4.479 0.001 17948 3013 1 7 . 1 1 34 34 THR CA C 34 63.600 63.600 61.424 2.176 17948 3014 1 7 . 1 1 34 34 THR CB C 34 69.300 69.300 70.120 -0.820 17948 3015 1 7 . 1 1 34 34 THR H H 34 8.082 8.082 7.733 0.349 17948 3016 1 7 . 1 1 35 35 ASP N N 35 122.190 122.190 120.955 1.235 17948 3017 1 7 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.818 -0.264 17948 3018 1 7 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.420 1.980 17948 3019 1 7 . 1 1 35 35 ASP CB C 35 41.500 41.500 42.422 -0.922 17948 3020 1 7 . 1 1 35 35 ASP H H 35 8.102 8.102 8.053 0.049 17948 3021 1 7 . 1 1 36 36 LYS N N 36 119.451 119.451 120.181 -0.730 17948 3022 1 7 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.378 -0.168 17948 3023 1 7 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.399 0.101 17948 3024 1 7 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.107 -0.607 17948 3025 1 7 . 1 1 36 36 LYS H H 36 7.983 7.983 8.292 -0.309 17948 3026 1 7 . 1 1 37 37 ALA N N 37 123.038 123.038 122.525 0.513 17948 3027 1 7 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.072 0.109 17948 3028 1 7 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.484 1.116 17948 3029 1 7 . 1 1 37 37 ALA CB C 37 18.800 18.800 17.589 1.211 17948 3030 1 7 . 1 1 37 37 ALA H H 37 8.241 8.241 8.448 -0.207 17948 3031 1 7 . 1 1 38 38 ASP N N 38 118.323 118.323 121.349 -3.026 17948 3032 1 7 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.588 -0.084 17948 3033 1 7 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.091 1.009 17948 3034 1 7 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.533 -0.533 17948 3035 1 7 . 1 1 38 38 ASP H H 38 8.144 8.144 8.535 -0.391 17948 3036 1 7 . 1 1 39 39 LYS N N 39 120.011 120.011 120.145 -0.134 17948 3037 1 7 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.460 -0.185 17948 3038 1 7 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.961 0.940 17948 3039 1 7 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.401 -0.647 17948 3040 1 7 . 1 1 39 39 LYS H H 39 7.960 7.960 7.894 0.066 17948 3041 1 7 . 1 1 40 40 VAL N N 40 119.113 119.113 117.563 1.550 17948 3042 1 7 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.146 -0.102 17948 3043 1 7 . 1 1 40 40 VAL CA C 40 62.900 62.900 63.405 -0.505 17948 3044 1 7 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.635 -0.135 17948 3045 1 7 . 1 1 40 40 VAL H H 40 7.948 7.948 8.245 -0.297 17948 3046 1 7 . 1 1 41 41 ALA N N 41 125.220 125.220 122.493 2.727 17948 3047 1 7 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.512 -0.218 17948 3048 1 7 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.934 0.966 17948 3049 1 7 . 1 1 41 41 ALA CB C 41 19.100 19.100 19.873 -0.773 17948 3050 1 7 . 1 1 41 41 ALA H H 41 8.168 8.168 7.905 0.263 17948 3051 1 7 . 1 1 42 42 GLY N N 42 107.007 107.007 108.135 -1.128 17948 3052 1 7 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.933 0.467 17948 3053 1 7 . 1 1 42 42 GLY H H 42 8.130 8.130 8.276 -0.146 17948 3054 1 7 . 1 1 43 43 LYS N N 43 122.310 122.310 120.558 1.752 17948 3055 1 7 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.659 -0.288 17948 3056 1 7 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.993 0.007 17948 3057 1 7 . 1 1 43 43 LYS CB C 43 33.000 33.000 34.362 -1.363 17948 3058 1 7 . 1 1 43 43 LYS H H 43 8.253 8.253 8.161 0.092 17948 3059 1 7 . 1 1 44 44 VAL N N 44 120.734 120.734 122.259 -1.525 17948 3060 1 7 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.368 -0.228 17948 3061 1 7 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.333 -0.333 17948 3062 1 7 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.761 -0.061 17948 3063 1 7 . 1 1 44 44 VAL H H 44 8.026 8.026 8.409 -0.383 17948 3064 1 7 . 1 1 45 45 GLN N N 45 124.893 124.893 125.812 -0.919 17948 3065 1 7 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.830 -0.550 17948 3066 1 7 . 1 1 45 45 GLN CA C 45 53.400 53.400 53.821 -0.421 17948 3067 1 7 . 1 1 45 45 GLN CB C 45 29.000 29.000 30.873 -1.873 17948 3068 1 7 . 1 1 45 45 GLN H H 45 8.385 8.385 8.447 -0.062 17948 3069 1 7 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.655 -0.484 17948 3070 1 7 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.075 -1.275 17948 3071 1 7 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.986 -0.057 17948 3072 1 7 . 1 1 47 47 GLU N N 47 123.526 123.526 119.606 3.920 17948 3073 1 7 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.318 -0.058 17948 3074 1 7 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.038 0.162 17948 3075 1 7 . 1 1 47 47 GLU CB C 47 30.700 30.700 31.099 -0.399 17948 3076 1 7 . 1 1 47 47 GLU H H 47 8.039 8.039 8.408 -0.369 17948 3077 1 7 . 1 1 48 48 ASP N N 48 122.131 122.131 121.512 0.619 17948 3078 1 7 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.485 0.113 17948 3079 1 7 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.547 1.783 17948 3080 1 7 . 1 1 48 48 ASP CB C 48 30.700 30.700 40.999 -10.299 17948 3081 1 7 . 1 1 48 48 ASP H H 48 8.402 8.402 8.261 0.141 17948 3082 1 7 . 1 1 49 49 ASN N N 49 121.154 121.154 118.437 2.717 17948 3083 1 7 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.656 0.044 17948 3084 1 7 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.365 -1.765 17948 3085 1 7 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.099 1.474 17948 3086 1 7 . 1 1 49 49 ASN H H 49 8.338 8.338 8.563 -0.225 17948 3087 1 7 . 1 1 50 50 LYS N N 50 120.660 120.660 121.392 -0.732 17948 3088 1 7 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.157 0.142 17948 3089 1 7 . 1 1 50 50 LYS H H 50 8.247 8.247 8.343 -0.096 17948 3090 1 7 . 1 1 51 51 GLY N N 51 108.915 108.915 111.600 -2.685 17948 3091 1 7 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.452 0.948 17948 3092 1 7 . 1 1 51 51 GLY H H 51 8.320 8.320 8.109 0.211 17948 3093 1 7 . 1 1 52 52 VAL N N 52 118.906 118.906 120.090 -1.184 17948 3094 1 7 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.146 -0.100 17948 3095 1 7 . 1 1 52 52 VAL CA C 52 62.400 62.400 62.613 -0.213 17948 3096 1 7 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.282 0.218 17948 3097 1 7 . 1 1 52 52 VAL H H 52 7.836 7.836 7.980 -0.144 17948 3098 1 7 . 1 1 53 53 PHE N N 53 123.002 123.002 122.630 0.372 17948 3099 1 7 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.769 -0.121 17948 3100 1 7 . 1 1 53 53 PHE CA C 53 57.600 57.600 56.678 0.922 17948 3101 1 7 . 1 1 53 53 PHE CB C 53 39.400 39.400 41.960 -2.560 17948 3102 1 7 . 1 1 53 53 PHE H H 53 8.284 8.284 8.173 0.111 17948 3103 1 7 . 1 1 54 54 GLN N N 54 122.278 122.278 121.163 1.115 17948 3104 1 7 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.576 -0.263 17948 3105 1 7 . 1 1 54 54 GLN CA C 54 55.800 55.800 54.998 0.802 17948 3106 1 7 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.759 -0.259 17948 3107 1 7 . 1 1 54 54 GLN H H 54 8.223 8.223 8.506 -0.283 17948 3108 1 7 . 1 1 55 55 GLY N N 55 109.285 109.285 108.279 1.006 17948 3109 1 7 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.333 -0.133 17948 3110 1 7 . 1 1 55 55 GLY H H 55 7.900 7.900 8.408 -0.508 17948 3111 1 7 . 1 1 56 56 VAL H H 56 7.898 7.898 8.049 -0.151 17948 3112 1 7 . 1 1 57 57 HIS N N 57 120.411 120.411 126.258 -5.847 17948 3113 1 7 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.806 -0.557 17948 3114 1 7 . 1 1 57 57 HIS H H 57 8.529 8.529 8.344 0.185 17948 3115 1 7 . 1 1 58 58 ASP N N 58 120.960 120.960 123.404 -2.444 17948 3116 1 7 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.227 0.383 17948 3117 1 7 . 1 1 58 58 ASP H H 58 8.234 8.234 8.246 -0.012 17948 3118 1 7 . 1 1 59 59 SER N N 59 116.391 116.391 116.152 0.239 17948 3119 1 7 . 1 1 59 59 SER HA H 59 4.398 4.398 4.419 -0.021 17948 3120 1 7 . 1 1 59 59 SER CA C 59 58.500 58.500 58.532 -0.032 17948 3121 1 7 . 1 1 59 59 SER CB C 59 63.700 63.700 64.406 -0.706 17948 3122 1 7 . 1 1 59 59 SER H H 59 8.248 8.248 8.546 -0.298 17948 3123 1 7 . 1 1 60 60 ALA N N 60 125.620 125.620 123.202 2.418 17948 3124 1 7 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.126 0.182 17948 3125 1 7 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.869 -0.069 17948 3126 1 7 . 1 1 60 60 ALA CB C 60 19.161 19.161 18.414 0.747 17948 3127 1 7 . 1 1 60 60 ALA H H 60 8.290 8.290 8.157 0.133 17948 3128 1 7 . 1 1 61 61 GLU N N 61 119.550 119.550 118.962 0.588 17948 3129 1 7 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.309 -0.058 17948 3130 1 7 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.154 0.445 17948 3131 1 7 . 1 1 61 61 GLU CB C 61 30.100 30.100 30.747 -0.647 17948 3132 1 7 . 1 1 61 61 GLU H H 61 8.206 8.206 8.206 -0.000 17948 3133 1 7 . 1 1 62 62 LYS N N 62 122.003 122.003 120.027 1.976 17948 3134 1 7 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.439 -0.139 17948 3135 1 7 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.547 0.253 17948 3136 1 7 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.949 -0.049 17948 3137 1 7 . 1 1 62 62 LYS H H 62 8.157 8.157 8.644 -0.487 17948 3138 1 7 . 1 1 63 63 GLY N N 63 109.728 109.728 111.500 -1.772 17948 3139 1 7 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.893 -0.593 17948 3140 1 7 . 1 1 63 63 GLY H H 63 8.371 8.371 8.390 -0.019 17948 3141 1 7 . 1 1 64 64 LYS N N 64 120.537 120.537 120.952 -0.415 17948 3142 1 7 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.051 0.289 17948 3143 1 7 . 1 1 64 64 LYS CA C 64 56.200 56.200 57.001 -0.800 17948 3144 1 7 . 1 1 64 64 LYS CB C 64 33.000 33.000 32.680 0.320 17948 3145 1 7 . 1 1 64 64 LYS H H 64 8.078 8.078 8.073 0.005 17948 3146 1 7 . 1 1 65 65 ASP N N 65 120.981 120.981 118.980 2.001 17948 3147 1 7 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.656 -0.066 17948 3148 1 7 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.505 0.794 17948 3149 1 7 . 1 1 65 65 ASP CB C 65 41.200 41.200 42.162 -0.962 17948 3150 1 7 . 1 1 65 65 ASP H H 65 8.336 8.336 8.604 -0.268 17948 3151 1 7 . 1 1 66 66 ASN N N 66 119.056 119.056 116.217 2.839 17948 3152 1 7 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.931 -0.240 17948 3153 1 7 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.363 -0.163 17948 3154 1 7 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.636 -0.636 17948 3155 1 7 . 1 1 66 66 ASN H H 66 8.280 8.280 8.365 -0.085 17948 3156 1 7 . 1 1 67 67 ALA N N 67 124.164 124.164 122.064 2.100 17948 3157 1 7 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.452 -0.139 17948 3158 1 7 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.660 1.064 17948 3159 1 7 . 1 1 67 67 ALA CB C 67 19.171 19.171 20.300 -1.129 17948 3160 1 7 . 1 1 67 67 ALA H H 67 8.248 8.248 7.998 0.250 17948 3161 1 7 . 1 1 68 68 GLU N N 68 119.599 119.599 117.837 1.762 17948 3162 1 7 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.473 -0.191 17948 3163 1 7 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.361 1.451 17948 3164 1 7 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.301 -1.175 17948 3165 1 7 . 1 1 68 68 GLU H H 68 8.295 8.295 8.374 -0.079 17948 3166 1 7 . 1 1 69 69 GLY N N 69 109.616 109.616 108.537 1.079 17948 3167 1 7 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.442 0.998 17948 3168 1 7 . 1 1 69 69 GLY H H 69 8.348 8.348 8.438 -0.090 17948 3169 1 7 . 1 1 70 70 GLN N N 70 119.476 119.476 119.238 0.238 17948 3170 1 7 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.152 0.236 17948 3171 1 7 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.101 -0.241 17948 3172 1 7 . 1 1 70 70 GLN CB C 70 29.500 29.500 28.278 1.222 17948 3173 1 7 . 1 1 70 70 GLN H H 70 8.200 8.200 8.349 -0.149 17948 3174 1 7 . 1 1 71 71 GLY N N 71 109.928 109.928 108.944 0.984 17948 3175 1 7 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.624 0.736 17948 3176 1 7 . 1 1 71 71 GLY H H 71 8.438 8.438 7.861 0.577 17948 3177 1 7 . 1 1 72 72 GLU N N 72 120.438 120.438 120.015 0.423 17948 3178 1 7 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.511 -0.113 17948 3179 1 7 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.228 0.172 17948 3180 1 7 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.957 0.743 17948 3181 1 7 . 1 1 72 72 GLU H H 72 8.296 8.296 8.443 -0.147 17948 3182 1 7 . 1 1 73 73 SER N N 73 117.699 117.699 114.439 3.260 17948 3183 1 7 . 1 1 73 73 SER HA H 73 4.601 4.601 4.655 -0.054 17948 3184 1 7 . 1 1 73 73 SER CA C 73 58.011 58.011 56.656 1.355 17948 3185 1 7 . 1 1 73 73 SER CB C 73 64.816 64.816 63.991 0.825 17948 3186 1 7 . 1 1 73 73 SER H H 73 8.666 8.666 7.601 1.065 17948 3187 1 7 . 1 1 74 74 LEU N N 74 125.422 125.422 121.935 3.487 17948 3188 1 7 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.078 0.163 17948 3189 1 7 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.834 0.889 17948 3190 1 7 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.343 0.812 17948 3191 1 7 . 1 1 74 74 LEU H H 74 8.899 8.899 8.743 0.156 17948 3192 1 7 . 1 1 75 75 ALA N N 75 120.685 120.685 121.326 -0.641 17948 3193 1 7 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.931 0.090 17948 3194 1 7 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.493 0.307 17948 3195 1 7 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.289 0.311 17948 3196 1 7 . 1 1 75 75 ALA H H 75 8.389 8.389 7.907 0.482 17948 3197 1 7 . 1 1 76 76 ASP N N 76 117.754 117.754 118.802 -1.048 17948 3198 1 7 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.254 0.180 17948 3199 1 7 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.351 -0.651 17948 3200 1 7 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.609 0.074 17948 3201 1 7 . 1 1 76 76 ASP H H 76 7.777 7.777 7.922 -0.145 17948 3202 1 7 . 1 1 77 77 GLN N N 77 119.402 119.402 118.212 1.190 17948 3203 1 7 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.004 0.217 17948 3204 1 7 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.495 -0.651 17948 3205 1 7 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.495 1.107 17948 3206 1 7 . 1 1 77 77 GLN H H 77 8.038 8.038 7.885 0.153 17948 3207 1 7 . 1 1 78 78 ALA N N 78 121.376 121.376 122.490 -1.114 17948 3208 1 7 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.071 0.100 17948 3209 1 7 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.845 -0.295 17948 3210 1 7 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.318 0.536 17948 3211 1 7 . 1 1 78 78 ALA H H 78 8.427 8.427 7.674 0.753 17948 3212 1 7 . 1 1 79 79 ARG N N 79 117.905 117.905 118.834 -0.929 17948 3213 1 7 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.065 -0.047 17948 3214 1 7 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.851 0.442 17948 3215 1 7 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.450 0.709 17948 3216 1 7 . 1 1 79 79 ARG H H 79 8.031 8.031 8.000 0.031 17948 3217 1 7 . 1 1 80 80 ASP N N 80 120.290 120.290 119.703 0.587 17948 3218 1 7 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.461 0.100 17948 3219 1 7 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.456 -1.180 17948 3220 1 7 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.017 -0.517 17948 3221 1 7 . 1 1 80 80 ASP H H 80 8.126 8.126 8.050 0.076 17948 3222 1 7 . 1 1 81 81 TYR N N 81 120.191 120.191 120.692 -0.501 17948 3223 1 7 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.304 0.036 17948 3224 1 7 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.574 0.545 17948 3225 1 7 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.655 -0.155 17948 3226 1 7 . 1 1 81 81 TYR H H 81 8.250 8.250 7.623 0.627 17948 3227 1 7 . 1 1 82 82 MET N N 82 117.996 117.996 118.849 -0.853 17948 3228 1 7 . 1 1 82 82 MET HA H 82 4.222 4.222 3.963 0.259 17948 3229 1 7 . 1 1 82 82 MET CA C 82 58.618 58.618 59.752 -1.134 17948 3230 1 7 . 1 1 82 82 MET CB C 82 32.875 32.875 32.273 0.603 17948 3231 1 7 . 1 1 82 82 MET H H 82 8.354 8.354 8.436 -0.082 17948 3232 1 7 . 1 1 83 83 GLY N N 83 106.902 106.902 104.640 2.262 17948 3233 1 7 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.193 0.007 17948 3234 1 7 . 1 1 83 83 GLY H H 83 8.365 8.365 7.816 0.549 17948 3235 1 7 . 1 1 84 84 ALA N N 84 124.830 124.830 123.270 1.560 17948 3236 1 7 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.276 0.042 17948 3237 1 7 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.852 0.426 17948 3238 1 7 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.190 0.379 17948 3239 1 7 . 1 1 84 84 ALA H H 84 7.950 7.950 7.261 0.689 17948 3240 1 7 . 1 1 85 85 ALA N N 85 120.542 120.542 121.130 -0.588 17948 3241 1 7 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.903 0.134 17948 3242 1 7 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.884 0.095 17948 3243 1 7 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.185 0.315 17948 3244 1 7 . 1 1 85 85 ALA H H 85 8.274 8.274 8.049 0.225 17948 3245 1 7 . 1 1 86 86 LYS N N 86 116.920 116.920 118.872 -1.952 17948 3246 1 7 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.011 -0.124 17948 3247 1 7 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.733 1.327 17948 3248 1 7 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.701 0.599 17948 3249 1 7 . 1 1 86 86 LYS H H 86 8.265 8.265 7.626 0.639 17948 3250 1 7 . 1 1 87 87 SER N N 87 113.664 113.664 115.167 -1.503 17948 3251 1 7 . 1 1 87 87 SER HA H 87 4.312 4.312 4.048 0.264 17948 3252 1 7 . 1 1 87 87 SER CA C 87 61.330 61.330 61.386 -0.056 17948 3253 1 7 . 1 1 87 87 SER CB C 87 62.900 62.900 62.767 0.134 17948 3254 1 7 . 1 1 87 87 SER H H 87 7.926 7.926 7.677 0.249 17948 3255 1 7 . 1 1 88 88 LYS N N 88 120.310 120.310 121.481 -1.171 17948 3256 1 7 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.051 0.335 17948 3257 1 7 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.021 -1.677 17948 3258 1 7 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.292 -0.492 17948 3259 1 7 . 1 1 88 88 LYS H H 88 7.859 7.859 7.638 0.221 17948 3260 1 7 . 1 1 89 89 LEU N N 89 119.648 119.648 121.662 -2.014 17948 3261 1 7 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.950 0.151 17948 3262 1 7 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.792 0.275 17948 3263 1 7 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.878 0.622 17948 3264 1 7 . 1 1 89 89 LEU H H 89 8.158 8.158 7.816 0.342 17948 3265 1 7 . 1 1 90 90 ASN N N 90 117.422 117.422 117.193 0.229 17948 3266 1 7 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.362 0.036 17948 3267 1 7 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.374 0.685 17948 3268 1 7 . 1 1 90 90 ASN CB C 90 38.500 38.500 37.927 0.573 17948 3269 1 7 . 1 1 90 90 ASN H H 90 8.240 8.240 7.962 0.278 17948 3270 1 7 . 1 1 91 91 ASP N N 91 119.945 119.945 118.630 1.315 17948 3271 1 7 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.434 0.007 17948 3272 1 7 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.671 -0.327 17948 3273 1 7 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.592 -0.292 17948 3274 1 7 . 1 1 91 91 ASP H H 91 8.111 8.111 7.578 0.533 17948 3275 1 7 . 1 1 92 92 ALA N N 92 123.226 123.226 122.203 1.023 17948 3276 1 7 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.190 -0.016 17948 3277 1 7 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.852 0.521 17948 3278 1 7 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.388 -0.088 17948 3279 1 7 . 1 1 92 92 ALA H H 92 8.240 8.240 7.456 0.784 17948 3280 1 7 . 1 1 93 93 VAL N N 93 117.940 117.940 119.180 -1.240 17948 3281 1 7 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.583 0.016 17948 3282 1 7 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.642 0.251 17948 3283 1 7 . 1 1 93 93 VAL CB C 93 31.613 31.613 30.769 0.844 17948 3284 1 7 . 1 1 93 93 VAL H H 93 8.410 8.410 8.179 0.231 17948 3285 1 7 . 1 1 94 94 GLU N N 94 120.610 120.610 119.528 1.082 17948 3286 1 7 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.907 0.143 17948 3287 1 7 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.563 0.037 17948 3288 1 7 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.448 0.152 17948 3289 1 7 . 1 1 94 94 GLU H H 94 8.289 8.289 7.918 0.371 17948 3290 1 7 . 1 1 95 95 TYR N N 95 120.241 120.241 118.676 1.565 17948 3291 1 7 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.184 0.086 17948 3292 1 7 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.708 -0.408 17948 3293 1 7 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.733 -0.032 17948 3294 1 7 . 1 1 95 95 TYR H H 95 8.186 8.186 7.375 0.811 17948 3295 1 7 . 1 1 96 96 VAL N N 96 116.942 116.942 118.474 -1.532 17948 3296 1 7 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.633 -0.087 17948 3297 1 7 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.276 -0.206 17948 3298 1 7 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.526 0.219 17948 3299 1 7 . 1 1 96 96 VAL H H 96 8.394 8.394 8.171 0.223 17948 3300 1 7 . 1 1 97 97 SER N N 97 113.924 113.924 115.163 -1.239 17948 3301 1 7 . 1 1 97 97 SER HA H 97 4.145 4.145 4.193 -0.048 17948 3302 1 7 . 1 1 97 97 SER CA C 97 61.393 61.393 61.229 0.164 17948 3303 1 7 . 1 1 97 97 SER CB C 97 63.415 63.415 62.588 0.827 17948 3304 1 7 . 1 1 97 97 SER H H 97 8.433 8.433 8.621 -0.188 17948 3305 1 7 . 1 1 98 98 GLY N N 98 107.509 107.509 108.544 -1.035 17948 3306 1 7 . 1 1 98 98 GLY CA C 98 46.298 46.298 45.856 0.442 17948 3307 1 7 . 1 1 98 98 GLY H H 98 7.899 7.899 7.554 0.345 17948 3308 1 7 . 1 1 99 99 ARG N N 99 119.471 119.471 119.478 -0.007 17948 3309 1 7 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.209 0.059 17948 3310 1 7 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.001 0.526 17948 3311 1 7 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.801 -0.501 17948 3312 1 7 . 1 1 99 99 ARG H H 99 7.696 7.696 7.669 0.027 17948 3313 1 7 . 1 1 100 100 VAL N N 100 117.316 117.316 121.946 -4.630 17948 3314 1 7 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.930 0.030 17948 3315 1 7 . 1 1 100 100 VAL CA C 100 63.400 63.400 61.829 1.571 17948 3316 1 7 . 1 1 100 100 VAL CB C 100 32.320 32.320 29.522 2.798 17948 3317 1 7 . 1 1 100 100 VAL H H 100 7.906 7.906 7.207 0.699 17948 3318 1 7 . 1 1 101 101 HIS N N 101 119.155 119.155 123.044 -3.889 17948 3319 1 7 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.156 0.545 17948 3320 1 7 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.314 -1.114 17948 3321 1 7 . 1 1 101 101 HIS CB C 101 30.048 30.048 29.116 0.931 17948 3322 1 7 . 1 1 101 101 HIS H H 101 8.130 8.130 8.278 -0.148 17948 3323 1 7 . 1 1 102 102 GLY N N 102 109.145 109.145 112.563 -3.418 17948 3324 1 7 . 1 1 102 102 GLY CA C 102 45.333 45.333 44.396 0.937 17948 3325 1 7 . 1 1 102 102 GLY H H 102 8.086 8.086 8.119 -0.033 17948 3326 1 7 . 1 1 103 103 GLU N N 103 119.345 119.345 118.390 0.955 17948 3327 1 7 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.131 0.199 17948 3328 1 7 . 1 1 103 103 GLU CA C 103 62.300 62.300 58.044 4.256 17948 3329 1 7 . 1 1 103 103 GLU CB C 103 32.754 32.754 28.682 4.072 17948 3330 1 7 . 1 1 103 103 GLU H H 103 7.932 7.932 8.692 -0.760 17948 3331 1 7 . 1 1 104 104 GLU N N 104 122.105 122.105 122.066 0.039 17948 3332 1 7 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.517 -0.245 17948 3333 1 7 . 1 1 104 104 GLU CA C 104 56.232 56.232 55.913 0.319 17948 3334 1 7 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.559 -1.059 17948 3335 1 7 . 1 1 104 104 GLU H H 104 8.325 8.325 8.032 0.293 17948 3336 1 7 . 1 1 105 105 ASP N N 105 124.188 124.188 124.064 0.124 17948 3337 1 7 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.808 -0.198 17948 3338 1 7 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.250 1.270 17948 3339 1 7 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.282 -0.583 17948 3340 1 7 . 1 1 105 105 ASP H H 105 8.077 8.077 8.431 -0.354 17948 3341 1 7 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.711 -0.227 17948 3342 1 7 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.170 0.654 17948 3343 1 7 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.684 -0.485 17948 3344 1 7 . 1 1 107 107 THR N N 107 111.950 111.950 110.164 1.786 17948 3345 1 7 . 1 1 107 107 THR HA H 107 4.273 4.273 4.310 -0.037 17948 3346 1 7 . 1 1 107 107 THR CA C 107 62.700 62.700 62.574 0.126 17948 3347 1 7 . 1 1 107 107 THR CB C 107 69.400 69.400 68.856 0.544 17948 3348 1 7 . 1 1 107 107 THR H H 107 8.339 8.339 8.123 0.216 17948 3349 1 7 . 1 1 108 108 LYS N N 108 123.349 123.349 123.413 -0.064 17948 3350 1 7 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.133 0.224 17948 3351 1 7 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.943 -0.943 17948 3352 1 7 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.300 0.500 17948 3353 1 7 . 1 1 108 108 LYS H H 108 7.727 7.727 8.144 -0.417 17948 3354 1 8 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.510 0.100 17948 3355 1 8 . 1 1 3 3 ASP H H 3 8.330 8.330 8.640 -0.310 17948 3356 1 8 . 1 1 4 4 ALA N N 4 124.218 124.218 121.495 2.723 17948 3357 1 8 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.289 -0.029 17948 3358 1 8 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.285 0.715 17948 3359 1 8 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.780 -0.816 17948 3360 1 8 . 1 1 4 4 ALA H H 4 8.180 8.180 7.789 0.391 17948 3361 1 8 . 1 1 5 5 GLY N N 5 107.349 107.349 107.254 0.095 17948 3362 1 8 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.241 -0.141 17948 3363 1 8 . 1 1 5 5 GLY H H 5 8.344 8.344 8.917 -0.573 17948 3364 1 8 . 1 1 6 6 ARG N N 6 119.351 119.351 121.597 -2.246 17948 3365 1 8 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.674 -0.404 17948 3366 1 8 . 1 1 6 6 ARG H H 6 7.971 7.971 8.643 -0.672 17948 3367 1 8 . 1 1 7 7 LYS N N 7 122.700 122.700 123.336 -0.636 17948 3368 1 8 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.829 -0.549 17948 3369 1 8 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.393 1.007 17948 3370 1 8 . 1 1 7 7 LYS CB C 7 32.900 32.900 33.752 -0.852 17948 3371 1 8 . 1 1 7 7 LYS H H 7 8.034 8.034 8.536 -0.502 17948 3372 1 8 . 1 1 8 8 GLY H H 8 8.340 8.340 8.219 0.121 17948 3373 1 8 . 1 1 9 9 PHE N N 9 122.017 122.017 122.572 -0.555 17948 3374 1 8 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.512 0.108 17948 3375 1 8 . 1 1 9 9 PHE CA C 9 56.000 56.000 57.747 -1.747 17948 3376 1 8 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.642 0.308 17948 3377 1 8 . 1 1 9 9 PHE H H 9 8.093 8.093 8.590 -0.497 17948 3378 1 8 . 1 1 10 10 GLY N N 10 120.389 120.389 109.553 10.836 17948 3379 1 8 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.044 0.510 17948 3380 1 8 . 1 1 10 10 GLY H H 10 7.996 7.996 7.961 0.035 17948 3381 1 8 . 1 1 11 11 GLU N N 11 120.847 120.847 118.418 2.429 17948 3382 1 8 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.508 -0.248 17948 3383 1 8 . 1 1 11 11 GLU CA C 11 57.061 57.061 55.884 1.177 17948 3384 1 8 . 1 1 11 11 GLU CB C 11 30.200 30.200 31.099 -0.899 17948 3385 1 8 . 1 1 11 11 GLU H H 11 8.168 8.168 8.342 -0.174 17948 3386 1 8 . 1 1 12 12 LYS N N 12 121.524 121.524 119.531 1.993 17948 3387 1 8 . 1 1 12 12 LYS HA H 12 4.280 4.280 5.089 -0.809 17948 3388 1 8 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.711 0.841 17948 3389 1 8 . 1 1 12 12 LYS CB C 12 32.800 32.800 34.992 -2.192 17948 3390 1 8 . 1 1 12 12 LYS H H 12 8.273 8.273 8.685 -0.412 17948 3391 1 8 . 1 1 13 13 ALA N N 13 124.765 124.765 123.451 1.314 17948 3392 1 8 . 1 1 13 13 ALA HA H 13 4.260 4.260 5.202 -0.942 17948 3393 1 8 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.799 1.257 17948 3394 1 8 . 1 1 13 13 ALA CB C 13 18.900 18.900 21.203 -2.303 17948 3395 1 8 . 1 1 13 13 ALA H H 13 8.288 8.288 8.659 -0.371 17948 3396 1 8 . 1 1 14 14 SER N N 14 114.047 114.047 113.693 0.354 17948 3397 1 8 . 1 1 14 14 SER HA H 14 4.342 4.342 5.062 -0.720 17948 3398 1 8 . 1 1 14 14 SER CA C 14 58.918 58.918 58.347 0.571 17948 3399 1 8 . 1 1 14 14 SER CB C 14 63.539 63.539 64.526 -0.987 17948 3400 1 8 . 1 1 14 14 SER H H 14 8.145 8.145 8.727 -0.582 17948 3401 1 8 . 1 1 15 15 GLU N N 15 122.145 122.145 119.629 2.516 17948 3402 1 8 . 1 1 15 15 GLU HA H 15 4.260 4.260 5.002 -0.742 17948 3403 1 8 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.803 -7.786 17948 3404 1 8 . 1 1 15 15 GLU CB C 15 30.341 30.341 31.687 -1.346 17948 3405 1 8 . 1 1 15 15 GLU H H 15 8.223 8.223 8.827 -0.604 17948 3406 1 8 . 1 1 16 16 ALA N N 16 123.491 123.491 122.853 0.638 17948 3407 1 8 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.475 -0.191 17948 3408 1 8 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.819 0.681 17948 3409 1 8 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.611 -0.411 17948 3410 1 8 . 1 1 16 16 ALA H H 16 8.033 8.033 8.453 -0.420 17948 3411 1 8 . 1 1 17 17 LEU N N 17 120.066 120.066 118.950 1.116 17948 3412 1 8 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.175 0.159 17948 3413 1 8 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.673 -0.773 17948 3414 1 8 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.681 -0.381 17948 3415 1 8 . 1 1 17 17 LEU H H 17 7.901 7.901 8.139 -0.238 17948 3416 1 8 . 1 1 18 18 LYS N N 18 122.658 122.658 119.787 2.871 17948 3417 1 8 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.510 -0.230 17948 3418 1 8 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.391 -1.391 17948 3419 1 8 . 1 1 18 18 LYS CB C 18 32.637 32.637 31.963 0.674 17948 3420 1 8 . 1 1 18 18 LYS H H 18 8.081 8.081 8.305 -0.224 17948 3421 1 8 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.803 -0.376 17948 3422 1 8 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.424 -0.124 17948 3423 1 8 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.495 -0.595 17948 3424 1 8 . 1 1 20 20 ASP N N 20 119.912 119.912 117.600 2.312 17948 3425 1 8 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.732 -0.161 17948 3426 1 8 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.687 0.813 17948 3427 1 8 . 1 1 20 20 ASP CB C 20 40.900 40.900 42.317 -1.417 17948 3428 1 8 . 1 1 20 20 ASP H H 20 8.398 8.398 8.398 0.000 17948 3429 1 8 . 1 1 21 21 SER N N 21 115.552 115.552 115.176 0.376 17948 3430 1 8 . 1 1 21 21 SER HA H 21 4.513 4.513 4.883 -0.370 17948 3431 1 8 . 1 1 21 21 SER CA C 21 58.726 58.726 57.629 1.097 17948 3432 1 8 . 1 1 21 21 SER CB C 21 63.709 63.709 65.446 -1.737 17948 3433 1 8 . 1 1 21 21 SER H H 21 8.113 8.113 8.244 -0.131 17948 3434 1 8 . 1 1 22 22 GLN N N 22 119.920 119.920 118.984 0.936 17948 3435 1 8 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.304 -0.024 17948 3436 1 8 . 1 1 22 22 GLN H H 22 8.224 8.224 8.361 -0.137 17948 3437 1 8 . 1 1 23 23 LYS N N 23 121.734 121.734 121.393 0.341 17948 3438 1 8 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.399 -0.119 17948 3439 1 8 . 1 1 23 23 LYS CA C 23 56.173 56.173 57.677 -1.504 17948 3440 1 8 . 1 1 23 23 LYS CB C 23 30.593 30.593 33.009 -2.416 17948 3441 1 8 . 1 1 23 23 LYS H H 23 8.415 8.415 8.148 0.267 17948 3442 1 8 . 1 1 24 24 SER N N 24 126.408 126.408 115.421 10.987 17948 3443 1 8 . 1 1 24 24 SER HA H 24 4.510 4.510 4.816 -0.306 17948 3444 1 8 . 1 1 24 24 SER CA C 24 57.341 57.341 57.817 -0.476 17948 3445 1 8 . 1 1 24 24 SER CB C 24 63.800 63.800 63.986 -0.186 17948 3446 1 8 . 1 1 24 24 SER H H 24 7.595 7.595 8.431 -0.836 17948 3447 1 8 . 1 1 25 25 TYR N N 25 120.790 120.790 120.343 0.447 17948 3448 1 8 . 1 1 25 25 TYR HA H 25 4.456 4.456 5.174 -0.718 17948 3449 1 8 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.320 1.416 17948 3450 1 8 . 1 1 25 25 TYR CB C 25 38.069 38.069 40.182 -2.113 17948 3451 1 8 . 1 1 25 25 TYR H H 25 8.370 8.370 8.917 -0.547 17948 3452 1 8 . 1 1 26 26 ALA N N 26 122.684 122.684 122.686 -0.002 17948 3453 1 8 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.674 -0.510 17948 3454 1 8 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.024 1.976 17948 3455 1 8 . 1 1 26 26 ALA CB C 26 18.900 18.900 20.296 -1.395 17948 3456 1 8 . 1 1 26 26 ALA H H 26 8.405 8.405 8.340 0.065 17948 3457 1 8 . 1 1 27 27 GLU N N 27 118.504 118.504 118.501 0.003 17948 3458 1 8 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.942 -0.826 17948 3459 1 8 . 1 1 27 27 GLU CA C 27 58.000 58.000 55.731 2.269 17948 3460 1 8 . 1 1 27 27 GLU CB C 27 30.000 30.000 31.226 -1.226 17948 3461 1 8 . 1 1 27 27 GLU H H 27 7.988 7.988 8.836 -0.848 17948 3462 1 8 . 1 1 28 28 GLN N N 28 119.735 119.735 118.445 1.290 17948 3463 1 8 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.917 -0.693 17948 3464 1 8 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.477 2.123 17948 3465 1 8 . 1 1 28 28 GLN CB C 28 29.400 29.400 31.497 -2.097 17948 3466 1 8 . 1 1 28 28 GLN H H 28 8.282 8.282 9.082 -0.800 17948 3467 1 8 . 1 1 29 29 GLY N N 29 108.734 108.734 108.960 -0.226 17948 3468 1 8 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.723 1.677 17948 3469 1 8 . 1 1 29 29 GLY H H 29 8.645 8.645 8.728 -0.083 17948 3470 1 8 . 1 1 30 30 LYS N N 30 120.800 120.800 119.512 1.288 17948 3471 1 8 . 1 1 30 30 LYS HA H 30 4.280 4.280 5.064 -0.784 17948 3472 1 8 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.553 2.439 17948 3473 1 8 . 1 1 30 30 LYS CB C 30 29.800 29.800 35.930 -6.130 17948 3474 1 8 . 1 1 30 30 LYS H H 30 8.140 8.140 8.792 -0.652 17948 3475 1 8 . 1 1 31 31 GLU N N 31 119.994 119.994 120.610 -0.616 17948 3476 1 8 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.420 -0.160 17948 3477 1 8 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.887 3.513 17948 3478 1 8 . 1 1 31 31 GLU CB C 31 32.521 32.521 31.514 1.007 17948 3479 1 8 . 1 1 31 31 GLU H H 31 8.039 8.039 9.065 -1.026 17948 3480 1 8 . 1 1 32 32 TYR N N 32 119.254 119.254 119.822 -0.568 17948 3481 1 8 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.825 -0.195 17948 3482 1 8 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.158 0.862 17948 3483 1 8 . 1 1 32 32 TYR CB C 32 39.160 39.160 38.721 0.439 17948 3484 1 8 . 1 1 32 32 TYR H H 32 7.994 7.994 7.906 0.088 17948 3485 1 8 . 1 1 33 33 ILE N N 33 121.600 121.600 118.231 3.369 17948 3486 1 8 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.787 -0.763 17948 3487 1 8 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.091 1.009 17948 3488 1 8 . 1 1 33 33 ILE CB C 33 38.300 38.300 40.221 -1.921 17948 3489 1 8 . 1 1 33 33 ILE H H 33 8.260 8.260 8.315 -0.055 17948 3490 1 8 . 1 1 34 34 THR N N 34 115.849 115.849 113.728 2.121 17948 3491 1 8 . 1 1 34 34 THR HA H 34 4.480 4.480 4.605 -0.125 17948 3492 1 8 . 1 1 34 34 THR CA C 34 63.600 63.600 63.128 0.472 17948 3493 1 8 . 1 1 34 34 THR CB C 34 69.300 69.300 69.577 -0.277 17948 3494 1 8 . 1 1 34 34 THR H H 34 8.082 8.082 8.585 -0.503 17948 3495 1 8 . 1 1 35 35 ASP N N 35 122.190 122.190 119.042 3.148 17948 3496 1 8 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.809 -0.255 17948 3497 1 8 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.765 1.635 17948 3498 1 8 . 1 1 35 35 ASP CB C 35 41.500 41.500 43.133 -1.633 17948 3499 1 8 . 1 1 35 35 ASP H H 35 8.102 8.102 8.096 0.006 17948 3500 1 8 . 1 1 36 36 LYS N N 36 119.451 119.451 119.835 -0.384 17948 3501 1 8 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.416 -0.206 17948 3502 1 8 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.310 0.190 17948 3503 1 8 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.106 -0.606 17948 3504 1 8 . 1 1 36 36 LYS H H 36 7.983 7.983 8.622 -0.639 17948 3505 1 8 . 1 1 37 37 ALA N N 37 123.038 123.038 123.109 -0.071 17948 3506 1 8 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.106 0.075 17948 3507 1 8 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.588 1.012 17948 3508 1 8 . 1 1 37 37 ALA CB C 37 18.800 18.800 18.986 -0.186 17948 3509 1 8 . 1 1 37 37 ALA H H 37 8.241 8.241 8.087 0.154 17948 3510 1 8 . 1 1 38 38 ASP N N 38 118.323 118.323 119.661 -1.338 17948 3511 1 8 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.579 -0.075 17948 3512 1 8 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.788 1.312 17948 3513 1 8 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.861 -0.861 17948 3514 1 8 . 1 1 38 38 ASP H H 38 8.144 8.144 8.368 -0.224 17948 3515 1 8 . 1 1 39 39 LYS N N 39 120.011 120.011 120.081 -0.070 17948 3516 1 8 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.151 0.124 17948 3517 1 8 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.744 0.156 17948 3518 1 8 . 1 1 39 39 LYS CB C 39 32.754 32.754 31.625 1.129 17948 3519 1 8 . 1 1 39 39 LYS H H 39 7.960 7.960 8.280 -0.320 17948 3520 1 8 . 1 1 40 40 VAL N N 40 119.113 119.113 121.414 -2.301 17948 3521 1 8 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.256 -0.212 17948 3522 1 8 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.441 0.459 17948 3523 1 8 . 1 1 40 40 VAL CB C 40 32.500 32.500 31.464 1.036 17948 3524 1 8 . 1 1 40 40 VAL H H 40 7.948 7.948 8.288 -0.340 17948 3525 1 8 . 1 1 41 41 ALA N N 41 125.220 125.220 128.747 -3.527 17948 3526 1 8 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.729 -0.435 17948 3527 1 8 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.980 0.920 17948 3528 1 8 . 1 1 41 41 ALA CB C 41 19.100 19.100 20.473 -1.373 17948 3529 1 8 . 1 1 41 41 ALA H H 41 8.168 8.168 8.168 -0.000 17948 3530 1 8 . 1 1 42 42 GLY N N 42 107.007 107.007 108.005 -0.998 17948 3531 1 8 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.273 0.127 17948 3532 1 8 . 1 1 42 42 GLY H H 42 8.130 8.130 9.539 -1.409 17948 3533 1 8 . 1 1 43 43 LYS N N 43 122.310 122.310 119.621 2.689 17948 3534 1 8 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.727 -0.356 17948 3535 1 8 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.362 0.638 17948 3536 1 8 . 1 1 43 43 LYS CB C 43 33.000 33.000 35.050 -2.050 17948 3537 1 8 . 1 1 43 43 LYS H H 43 8.253 8.253 8.584 -0.331 17948 3538 1 8 . 1 1 44 44 VAL N N 44 120.734 120.734 120.381 0.353 17948 3539 1 8 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.117 0.023 17948 3540 1 8 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.864 -0.864 17948 3541 1 8 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.374 0.326 17948 3542 1 8 . 1 1 44 44 VAL H H 44 8.026 8.026 8.384 -0.358 17948 3543 1 8 . 1 1 45 45 GLN N N 45 124.893 124.893 121.152 3.741 17948 3544 1 8 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.271 0.009 17948 3545 1 8 . 1 1 45 45 GLN CA C 45 53.400 53.400 55.794 -2.394 17948 3546 1 8 . 1 1 45 45 GLN CB C 45 29.000 29.000 27.318 1.682 17948 3547 1 8 . 1 1 45 45 GLN H H 45 8.385 8.385 8.356 0.029 17948 3548 1 8 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.496 -0.325 17948 3549 1 8 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.185 -1.385 17948 3550 1 8 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.855 0.075 17948 3551 1 8 . 1 1 47 47 GLU N N 47 123.526 123.526 118.783 4.743 17948 3552 1 8 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.451 -0.191 17948 3553 1 8 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.063 0.137 17948 3554 1 8 . 1 1 47 47 GLU CB C 47 30.700 30.700 31.873 -1.173 17948 3555 1 8 . 1 1 47 47 GLU H H 47 8.039 8.039 8.998 -0.959 17948 3556 1 8 . 1 1 48 48 ASP N N 48 122.131 122.131 120.547 1.584 17948 3557 1 8 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.979 -0.381 17948 3558 1 8 . 1 1 48 48 ASP CA C 48 56.330 56.330 53.596 2.734 17948 3559 1 8 . 1 1 48 48 ASP CB C 48 30.700 30.700 43.096 -12.396 17948 3560 1 8 . 1 1 48 48 ASP H H 48 8.402 8.402 8.634 -0.232 17948 3561 1 8 . 1 1 49 49 ASN N N 49 121.154 121.154 117.331 3.823 17948 3562 1 8 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.814 -0.114 17948 3563 1 8 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.061 -1.461 17948 3564 1 8 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.419 1.154 17948 3565 1 8 . 1 1 49 49 ASN H H 49 8.338 8.338 8.361 -0.023 17948 3566 1 8 . 1 1 50 50 LYS N N 50 120.660 120.660 119.761 0.899 17948 3567 1 8 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.776 -0.477 17948 3568 1 8 . 1 1 50 50 LYS H H 50 8.247 8.247 8.855 -0.608 17948 3569 1 8 . 1 1 51 51 GLY N N 51 108.915 108.915 109.298 -0.383 17948 3570 1 8 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.686 0.714 17948 3571 1 8 . 1 1 51 51 GLY H H 51 8.320 8.320 8.388 -0.068 17948 3572 1 8 . 1 1 52 52 VAL N N 52 118.906 118.906 119.752 -0.846 17948 3573 1 8 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.227 -0.181 17948 3574 1 8 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.488 0.912 17948 3575 1 8 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.866 -1.366 17948 3576 1 8 . 1 1 52 52 VAL H H 52 7.836 7.836 8.279 -0.443 17948 3577 1 8 . 1 1 53 53 PHE N N 53 123.002 123.002 121.958 1.044 17948 3578 1 8 . 1 1 53 53 PHE HA H 53 4.648 4.648 5.135 -0.487 17948 3579 1 8 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.090 0.510 17948 3580 1 8 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.640 -1.240 17948 3581 1 8 . 1 1 53 53 PHE H H 53 8.284 8.284 7.686 0.598 17948 3582 1 8 . 1 1 54 54 GLN N N 54 122.278 122.278 120.799 1.479 17948 3583 1 8 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.592 -0.279 17948 3584 1 8 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.837 -0.037 17948 3585 1 8 . 1 1 54 54 GLN CB C 54 29.500 29.500 30.580 -1.080 17948 3586 1 8 . 1 1 54 54 GLN H H 54 8.223 8.223 8.588 -0.365 17948 3587 1 8 . 1 1 55 55 GLY N N 55 109.285 109.285 109.773 -0.488 17948 3588 1 8 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.394 -0.194 17948 3589 1 8 . 1 1 55 55 GLY H H 55 7.900 7.900 9.253 -1.353 17948 3590 1 8 . 1 1 56 56 VAL H H 56 7.898 7.898 8.238 -0.340 17948 3591 1 8 . 1 1 57 57 HIS N N 57 120.411 120.411 120.373 0.038 17948 3592 1 8 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.310 -0.061 17948 3593 1 8 . 1 1 57 57 HIS H H 57 8.529 8.529 8.492 0.037 17948 3594 1 8 . 1 1 58 58 ASP N N 58 120.960 120.960 123.952 -2.992 17948 3595 1 8 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.998 -0.388 17948 3596 1 8 . 1 1 58 58 ASP H H 58 8.234 8.234 8.340 -0.106 17948 3597 1 8 . 1 1 59 59 SER N N 59 116.391 116.391 115.311 1.080 17948 3598 1 8 . 1 1 59 59 SER HA H 59 4.398 4.398 5.201 -0.803 17948 3599 1 8 . 1 1 59 59 SER CA C 59 58.500 58.500 57.725 0.775 17948 3600 1 8 . 1 1 59 59 SER CB C 59 63.700 63.700 65.656 -1.956 17948 3601 1 8 . 1 1 59 59 SER H H 59 8.248 8.248 8.546 -0.298 17948 3602 1 8 . 1 1 60 60 ALA N N 60 125.620 125.620 123.306 2.314 17948 3603 1 8 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.627 -0.319 17948 3604 1 8 . 1 1 60 60 ALA CA C 60 52.800 52.800 51.679 1.121 17948 3605 1 8 . 1 1 60 60 ALA CB C 60 19.161 19.161 20.082 -0.921 17948 3606 1 8 . 1 1 60 60 ALA H H 60 8.290 8.290 8.299 -0.009 17948 3607 1 8 . 1 1 61 61 GLU N N 61 119.550 119.550 120.125 -0.575 17948 3608 1 8 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.722 -0.471 17948 3609 1 8 . 1 1 61 61 GLU CA C 61 56.600 56.600 55.771 0.829 17948 3610 1 8 . 1 1 61 61 GLU CB C 61 30.100 30.100 31.404 -1.304 17948 3611 1 8 . 1 1 61 61 GLU H H 61 8.206 8.206 8.687 -0.481 17948 3612 1 8 . 1 1 62 62 LYS N N 62 122.003 122.003 120.319 1.684 17948 3613 1 8 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.345 -0.045 17948 3614 1 8 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.075 0.724 17948 3615 1 8 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.926 -0.026 17948 3616 1 8 . 1 1 62 62 LYS H H 62 8.157 8.157 8.549 -0.392 17948 3617 1 8 . 1 1 63 63 GLY N N 63 109.728 109.728 111.990 -2.262 17948 3618 1 8 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.944 0.356 17948 3619 1 8 . 1 1 63 63 GLY H H 63 8.371 8.371 8.305 0.066 17948 3620 1 8 . 1 1 64 64 LYS N N 64 120.537 120.537 120.487 0.050 17948 3621 1 8 . 1 1 64 64 LYS HA H 64 4.340 4.340 3.891 0.449 17948 3622 1 8 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.452 -0.252 17948 3623 1 8 . 1 1 64 64 LYS CB C 64 33.000 33.000 32.694 0.306 17948 3624 1 8 . 1 1 64 64 LYS H H 64 8.078 8.078 8.566 -0.488 17948 3625 1 8 . 1 1 65 65 ASP N N 65 120.981 120.981 120.356 0.625 17948 3626 1 8 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.365 0.225 17948 3627 1 8 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.552 -0.252 17948 3628 1 8 . 1 1 65 65 ASP CB C 65 41.200 41.200 40.549 0.651 17948 3629 1 8 . 1 1 65 65 ASP H H 65 8.336 8.336 8.411 -0.075 17948 3630 1 8 . 1 1 66 66 ASN N N 66 119.056 119.056 120.764 -1.708 17948 3631 1 8 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.729 -0.038 17948 3632 1 8 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.251 -0.051 17948 3633 1 8 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.443 -0.443 17948 3634 1 8 . 1 1 66 66 ASN H H 66 8.280 8.280 8.321 -0.041 17948 3635 1 8 . 1 1 67 67 ALA N N 67 124.164 124.164 121.624 2.540 17948 3636 1 8 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.466 -0.153 17948 3637 1 8 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.840 0.884 17948 3638 1 8 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.985 -0.814 17948 3639 1 8 . 1 1 67 67 ALA H H 67 8.248 8.248 7.613 0.635 17948 3640 1 8 . 1 1 68 68 GLU N N 68 119.599 119.599 118.782 0.817 17948 3641 1 8 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.829 -0.547 17948 3642 1 8 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.540 0.272 17948 3643 1 8 . 1 1 68 68 GLU CB C 68 30.126 30.126 32.303 -2.177 17948 3644 1 8 . 1 1 68 68 GLU H H 68 8.295 8.295 9.960 -1.665 17948 3645 1 8 . 1 1 69 69 GLY N N 69 109.616 109.616 110.283 -0.667 17948 3646 1 8 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.827 0.613 17948 3647 1 8 . 1 1 69 69 GLY H H 69 8.348 8.348 8.313 0.035 17948 3648 1 8 . 1 1 70 70 GLN N N 70 119.476 119.476 122.020 -2.544 17948 3649 1 8 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.395 -0.007 17948 3650 1 8 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.155 -0.295 17948 3651 1 8 . 1 1 70 70 GLN CB C 70 29.500 29.500 31.173 -1.673 17948 3652 1 8 . 1 1 70 70 GLN H H 70 8.200 8.200 8.490 -0.290 17948 3653 1 8 . 1 1 71 71 GLY N N 71 109.928 109.928 113.731 -3.803 17948 3654 1 8 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.164 0.196 17948 3655 1 8 . 1 1 71 71 GLY H H 71 8.438 8.438 8.676 -0.238 17948 3656 1 8 . 1 1 72 72 GLU N N 72 120.438 120.438 121.026 -0.588 17948 3657 1 8 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.404 -0.006 17948 3658 1 8 . 1 1 72 72 GLU CA C 72 56.400 56.400 55.862 0.538 17948 3659 1 8 . 1 1 72 72 GLU CB C 72 30.700 30.700 30.099 0.601 17948 3660 1 8 . 1 1 72 72 GLU H H 72 8.296 8.296 7.966 0.330 17948 3661 1 8 . 1 1 73 73 SER N N 73 117.699 117.699 115.474 2.225 17948 3662 1 8 . 1 1 73 73 SER HA H 73 4.601 4.601 4.160 0.441 17948 3663 1 8 . 1 1 73 73 SER CA C 73 58.011 58.011 60.906 -2.895 17948 3664 1 8 . 1 1 73 73 SER CB C 73 64.816 64.816 62.819 1.997 17948 3665 1 8 . 1 1 73 73 SER H H 73 8.666 8.666 8.690 -0.024 17948 3666 1 8 . 1 1 74 74 LEU N N 74 125.422 125.422 121.705 3.717 17948 3667 1 8 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.201 0.040 17948 3668 1 8 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.091 1.632 17948 3669 1 8 . 1 1 74 74 LEU CB C 74 42.155 42.155 40.963 1.192 17948 3670 1 8 . 1 1 74 74 LEU H H 74 8.899 8.899 7.974 0.925 17948 3671 1 8 . 1 1 75 75 ALA N N 75 120.685 120.685 122.328 -1.643 17948 3672 1 8 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.932 0.089 17948 3673 1 8 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.203 -0.403 17948 3674 1 8 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.277 0.323 17948 3675 1 8 . 1 1 75 75 ALA H H 75 8.389 8.389 8.392 -0.003 17948 3676 1 8 . 1 1 76 76 ASP N N 76 117.754 117.754 118.461 -0.707 17948 3677 1 8 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.311 0.123 17948 3678 1 8 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.625 -0.925 17948 3679 1 8 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.581 0.102 17948 3680 1 8 . 1 1 76 76 ASP H H 76 7.777 7.777 7.945 -0.168 17948 3681 1 8 . 1 1 77 77 GLN N N 77 119.402 119.402 117.671 1.731 17948 3682 1 8 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.037 0.184 17948 3683 1 8 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.864 -1.020 17948 3684 1 8 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.437 1.165 17948 3685 1 8 . 1 1 77 77 GLN H H 77 8.038 8.038 8.034 0.004 17948 3686 1 8 . 1 1 78 78 ALA N N 78 121.376 121.376 122.516 -1.140 17948 3687 1 8 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.173 -0.002 17948 3688 1 8 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.563 -0.014 17948 3689 1 8 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.120 0.734 17948 3690 1 8 . 1 1 78 78 ALA H H 78 8.427 8.427 7.362 1.065 17948 3691 1 8 . 1 1 79 79 ARG N N 79 117.905 117.905 119.030 -1.125 17948 3692 1 8 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.006 0.012 17948 3693 1 8 . 1 1 79 79 ARG CA C 79 59.293 59.293 59.535 -0.242 17948 3694 1 8 . 1 1 79 79 ARG CB C 79 30.159 30.159 30.104 0.055 17948 3695 1 8 . 1 1 79 79 ARG H H 79 8.031 8.031 8.095 -0.064 17948 3696 1 8 . 1 1 80 80 ASP N N 80 120.290 120.290 119.695 0.595 17948 3697 1 8 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.450 0.111 17948 3698 1 8 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.322 -1.046 17948 3699 1 8 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.007 -0.507 17948 3700 1 8 . 1 1 80 80 ASP H H 80 8.126 8.126 8.023 0.103 17948 3701 1 8 . 1 1 81 81 TYR N N 81 120.191 120.191 120.596 -0.405 17948 3702 1 8 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.274 0.066 17948 3703 1 8 . 1 1 81 81 TYR CA C 81 61.119 61.119 61.001 0.118 17948 3704 1 8 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.854 -0.354 17948 3705 1 8 . 1 1 81 81 TYR H H 81 8.250 8.250 7.612 0.638 17948 3706 1 8 . 1 1 82 82 MET N N 82 117.996 117.996 118.866 -0.870 17948 3707 1 8 . 1 1 82 82 MET HA H 82 4.222 4.222 4.017 0.205 17948 3708 1 8 . 1 1 82 82 MET CA C 82 58.618 58.618 59.757 -1.139 17948 3709 1 8 . 1 1 82 82 MET CB C 82 32.875 32.875 32.314 0.561 17948 3710 1 8 . 1 1 82 82 MET H H 82 8.354 8.354 8.518 -0.164 17948 3711 1 8 . 1 1 83 83 GLY N N 83 106.902 106.902 104.659 2.243 17948 3712 1 8 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.207 -0.007 17948 3713 1 8 . 1 1 83 83 GLY H H 83 8.365 8.365 7.830 0.535 17948 3714 1 8 . 1 1 84 84 ALA N N 84 124.830 124.830 123.294 1.536 17948 3715 1 8 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.282 0.036 17948 3716 1 8 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.874 0.404 17948 3717 1 8 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.161 0.408 17948 3718 1 8 . 1 1 84 84 ALA H H 84 7.950 7.950 7.284 0.666 17948 3719 1 8 . 1 1 85 85 ALA N N 85 120.542 120.542 121.249 -0.707 17948 3720 1 8 . 1 1 85 85 ALA HA H 85 4.037 4.037 4.069 -0.032 17948 3721 1 8 . 1 1 85 85 ALA CA C 85 54.979 54.979 55.016 -0.037 17948 3722 1 8 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.323 0.177 17948 3723 1 8 . 1 1 85 85 ALA H H 85 8.274 8.274 8.166 0.108 17948 3724 1 8 . 1 1 86 86 LYS N N 86 116.920 116.920 119.092 -2.172 17948 3725 1 8 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.075 -0.188 17948 3726 1 8 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.706 1.354 17948 3727 1 8 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.675 0.625 17948 3728 1 8 . 1 1 86 86 LYS H H 86 8.265 8.265 7.624 0.641 17948 3729 1 8 . 1 1 87 87 SER N N 87 113.664 113.664 115.614 -1.950 17948 3730 1 8 . 1 1 87 87 SER HA H 87 4.312 4.312 4.167 0.145 17948 3731 1 8 . 1 1 87 87 SER CA C 87 61.330 61.330 61.842 -0.512 17948 3732 1 8 . 1 1 87 87 SER CB C 87 62.900 62.900 62.987 -0.087 17948 3733 1 8 . 1 1 87 87 SER H H 87 7.926 7.926 7.775 0.151 17948 3734 1 8 . 1 1 88 88 LYS N N 88 120.310 120.310 121.047 -0.737 17948 3735 1 8 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.066 0.320 17948 3736 1 8 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.074 -1.730 17948 3737 1 8 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.396 -0.596 17948 3738 1 8 . 1 1 88 88 LYS H H 88 7.859 7.859 7.743 0.116 17948 3739 1 8 . 1 1 89 89 LEU N N 89 119.648 119.648 121.684 -2.036 17948 3740 1 8 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.977 0.124 17948 3741 1 8 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.816 0.251 17948 3742 1 8 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.904 0.596 17948 3743 1 8 . 1 1 89 89 LEU H H 89 8.158 8.158 7.853 0.305 17948 3744 1 8 . 1 1 90 90 ASN N N 90 117.422 117.422 117.082 0.340 17948 3745 1 8 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.376 0.022 17948 3746 1 8 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.377 0.682 17948 3747 1 8 . 1 1 90 90 ASN CB C 90 38.500 38.500 37.925 0.575 17948 3748 1 8 . 1 1 90 90 ASN H H 90 8.240 8.240 7.957 0.283 17948 3749 1 8 . 1 1 91 91 ASP N N 91 119.945 119.945 118.629 1.316 17948 3750 1 8 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.417 0.024 17948 3751 1 8 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.608 -0.264 17948 3752 1 8 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.607 -0.307 17948 3753 1 8 . 1 1 91 91 ASP H H 91 8.111 8.111 7.575 0.536 17948 3754 1 8 . 1 1 92 92 ALA N N 92 123.226 123.226 122.402 0.824 17948 3755 1 8 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.196 -0.022 17948 3756 1 8 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.803 0.570 17948 3757 1 8 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.497 -0.197 17948 3758 1 8 . 1 1 92 92 ALA H H 92 8.240 8.240 7.453 0.787 17948 3759 1 8 . 1 1 93 93 VAL N N 93 117.940 117.940 119.232 -1.292 17948 3760 1 8 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.482 0.117 17948 3761 1 8 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.129 -0.236 17948 3762 1 8 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.518 0.095 17948 3763 1 8 . 1 1 93 93 VAL H H 93 8.410 8.410 8.175 0.235 17948 3764 1 8 . 1 1 94 94 GLU N N 94 120.610 120.610 119.298 1.312 17948 3765 1 8 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.920 0.130 17948 3766 1 8 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.565 0.035 17948 3767 1 8 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.538 0.062 17948 3768 1 8 . 1 1 94 94 GLU H H 94 8.289 8.289 7.908 0.381 17948 3769 1 8 . 1 1 95 95 TYR N N 95 120.241 120.241 118.959 1.282 17948 3770 1 8 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.230 0.040 17948 3771 1 8 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.090 0.210 17948 3772 1 8 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.800 -0.100 17948 3773 1 8 . 1 1 95 95 TYR H H 95 8.186 8.186 7.414 0.772 17948 3774 1 8 . 1 1 96 96 VAL N N 96 116.942 116.942 118.682 -1.740 17948 3775 1 8 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.452 0.094 17948 3776 1 8 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.540 -0.470 17948 3777 1 8 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.677 0.069 17948 3778 1 8 . 1 1 96 96 VAL H H 96 8.394 8.394 8.254 0.140 17948 3779 1 8 . 1 1 97 97 SER N N 97 113.924 113.924 114.596 -0.672 17948 3780 1 8 . 1 1 97 97 SER HA H 97 4.145 4.145 4.140 0.005 17948 3781 1 8 . 1 1 97 97 SER CA C 97 61.393 61.393 61.056 0.337 17948 3782 1 8 . 1 1 97 97 SER CB C 97 63.415 63.415 62.743 0.672 17948 3783 1 8 . 1 1 97 97 SER H H 97 8.433 8.433 8.604 -0.171 17948 3784 1 8 . 1 1 98 98 GLY N N 98 107.509 107.509 109.110 -1.601 17948 3785 1 8 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.112 0.186 17948 3786 1 8 . 1 1 98 98 GLY H H 98 7.899 7.899 7.638 0.261 17948 3787 1 8 . 1 1 99 99 ARG N N 99 119.471 119.471 119.365 0.106 17948 3788 1 8 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.240 0.028 17948 3789 1 8 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.747 -0.220 17948 3790 1 8 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.024 0.276 17948 3791 1 8 . 1 1 99 99 ARG H H 99 7.696 7.696 7.525 0.171 17948 3792 1 8 . 1 1 100 100 VAL N N 100 117.316 117.316 118.941 -1.625 17948 3793 1 8 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.860 0.100 17948 3794 1 8 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.150 -0.750 17948 3795 1 8 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.983 0.337 17948 3796 1 8 . 1 1 100 100 VAL H H 100 7.906 7.906 7.156 0.750 17948 3797 1 8 . 1 1 101 101 HIS N N 101 119.155 119.155 119.282 -0.127 17948 3798 1 8 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.244 0.457 17948 3799 1 8 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.891 -1.691 17948 3800 1 8 . 1 1 101 101 HIS CB C 101 30.048 30.048 28.444 1.604 17948 3801 1 8 . 1 1 101 101 HIS H H 101 8.130 8.130 7.422 0.708 17948 3802 1 8 . 1 1 102 102 GLY N N 102 109.145 109.145 111.190 -2.045 17948 3803 1 8 . 1 1 102 102 GLY CA C 102 45.333 45.333 44.580 0.753 17948 3804 1 8 . 1 1 102 102 GLY H H 102 8.086 8.086 8.320 -0.234 17948 3805 1 8 . 1 1 103 103 GLU N N 103 119.345 119.345 119.404 -0.059 17948 3806 1 8 . 1 1 103 103 GLU HA H 103 4.330 4.330 3.909 0.421 17948 3807 1 8 . 1 1 103 103 GLU CA C 103 62.300 62.300 57.780 4.520 17948 3808 1 8 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.111 2.643 17948 3809 1 8 . 1 1 103 103 GLU H H 103 7.932 7.932 8.116 -0.184 17948 3810 1 8 . 1 1 104 104 GLU N N 104 122.105 122.105 117.962 4.143 17948 3811 1 8 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.017 0.255 17948 3812 1 8 . 1 1 104 104 GLU CA C 104 56.232 56.232 57.396 -1.164 17948 3813 1 8 . 1 1 104 104 GLU CB C 104 30.500 30.500 30.111 0.389 17948 3814 1 8 . 1 1 104 104 GLU H H 104 8.325 8.325 8.584 -0.259 17948 3815 1 8 . 1 1 105 105 ASP N N 105 124.188 124.188 119.754 4.434 17948 3816 1 8 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.850 -0.240 17948 3817 1 8 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.332 1.188 17948 3818 1 8 . 1 1 105 105 ASP CB C 105 40.700 40.700 42.574 -1.874 17948 3819 1 8 . 1 1 105 105 ASP H H 105 8.077 8.077 8.430 -0.353 17948 3820 1 8 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.423 0.061 17948 3821 1 8 . 1 1 106 106 PRO CA C 106 63.824 63.824 64.023 -0.199 17948 3822 1 8 . 1 1 106 106 PRO CB C 106 32.200 32.200 31.559 0.641 17948 3823 1 8 . 1 1 107 107 THR N N 107 111.950 111.950 116.150 -4.200 17948 3824 1 8 . 1 1 107 107 THR HA H 107 4.273 4.273 4.213 0.060 17948 3825 1 8 . 1 1 107 107 THR CA C 107 62.700 62.700 63.001 -0.300 17948 3826 1 8 . 1 1 107 107 THR CB C 107 69.400 69.400 69.333 0.067 17948 3827 1 8 . 1 1 107 107 THR H H 107 8.339 8.339 7.665 0.674 17948 3828 1 8 . 1 1 108 108 LYS N N 108 123.349 123.349 124.464 -1.115 17948 3829 1 8 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.367 -0.010 17948 3830 1 8 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.125 -0.125 17948 3831 1 8 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.811 -1.011 17948 3832 1 8 . 1 1 108 108 LYS H H 108 7.727 7.727 8.192 -0.465 17948 3833 1 9 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.428 0.182 17948 3834 1 9 . 1 1 3 3 ASP H H 3 8.330 8.330 8.267 0.063 17948 3835 1 9 . 1 1 4 4 ALA N N 4 124.218 124.218 120.529 3.689 17948 3836 1 9 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.059 0.201 17948 3837 1 9 . 1 1 4 4 ALA CA C 4 53.000 53.000 53.358 -0.359 17948 3838 1 9 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.120 -0.155 17948 3839 1 9 . 1 1 4 4 ALA H H 4 8.180 8.180 8.306 -0.126 17948 3840 1 9 . 1 1 5 5 GLY N N 5 107.349 107.349 107.348 0.001 17948 3841 1 9 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.548 0.552 17948 3842 1 9 . 1 1 5 5 GLY H H 5 8.344 8.344 8.269 0.075 17948 3843 1 9 . 1 1 6 6 ARG N N 6 119.351 119.351 124.493 -5.142 17948 3844 1 9 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.620 -0.350 17948 3845 1 9 . 1 1 6 6 ARG H H 6 7.971 7.971 8.634 -0.663 17948 3846 1 9 . 1 1 7 7 LYS N N 7 122.700 122.700 122.236 0.464 17948 3847 1 9 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.416 -0.136 17948 3848 1 9 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.888 0.512 17948 3849 1 9 . 1 1 7 7 LYS CB C 7 32.900 32.900 34.314 -1.414 17948 3850 1 9 . 1 1 7 7 LYS H H 7 8.034 8.034 8.381 -0.347 17948 3851 1 9 . 1 1 8 8 GLY H H 8 8.340 8.340 8.508 -0.168 17948 3852 1 9 . 1 1 9 9 PHE N N 9 122.017 122.017 116.929 5.088 17948 3853 1 9 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.172 -0.552 17948 3854 1 9 . 1 1 9 9 PHE CA C 9 56.000 56.000 57.264 -1.264 17948 3855 1 9 . 1 1 9 9 PHE CB C 9 39.950 39.950 40.115 -0.165 17948 3856 1 9 . 1 1 9 9 PHE H H 9 8.093 8.093 8.459 -0.366 17948 3857 1 9 . 1 1 10 10 GLY N N 10 120.389 120.389 107.365 13.024 17948 3858 1 9 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.627 -0.073 17948 3859 1 9 . 1 1 10 10 GLY H H 10 7.996 7.996 9.005 -1.009 17948 3860 1 9 . 1 1 11 11 GLU N N 11 120.847 120.847 118.599 2.248 17948 3861 1 9 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.243 0.017 17948 3862 1 9 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.617 0.444 17948 3863 1 9 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.208 -0.008 17948 3864 1 9 . 1 1 11 11 GLU H H 11 8.168 8.168 8.317 -0.149 17948 3865 1 9 . 1 1 12 12 LYS N N 12 121.524 121.524 118.722 2.802 17948 3866 1 9 . 1 1 12 12 LYS HA H 12 4.280 4.280 3.902 0.378 17948 3867 1 9 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.771 -0.219 17948 3868 1 9 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.232 1.568 17948 3869 1 9 . 1 1 12 12 LYS H H 12 8.273 8.273 7.929 0.344 17948 3870 1 9 . 1 1 13 13 ALA N N 13 124.765 124.765 122.059 2.706 17948 3871 1 9 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.371 -0.111 17948 3872 1 9 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.232 1.824 17948 3873 1 9 . 1 1 13 13 ALA CB C 13 18.900 18.900 20.710 -1.810 17948 3874 1 9 . 1 1 13 13 ALA H H 13 8.288 8.288 8.026 0.262 17948 3875 1 9 . 1 1 14 14 SER N N 14 114.047 114.047 115.962 -1.915 17948 3876 1 9 . 1 1 14 14 SER HA H 14 4.342 4.342 4.304 0.038 17948 3877 1 9 . 1 1 14 14 SER CA C 14 58.918 58.918 59.477 -0.559 17948 3878 1 9 . 1 1 14 14 SER CB C 14 63.539 63.539 63.476 0.063 17948 3879 1 9 . 1 1 14 14 SER H H 14 8.145 8.145 8.214 -0.069 17948 3880 1 9 . 1 1 15 15 GLU N N 15 122.145 122.145 126.286 -4.141 17948 3881 1 9 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.347 -0.087 17948 3882 1 9 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.080 -8.063 17948 3883 1 9 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.237 0.104 17948 3884 1 9 . 1 1 15 15 GLU H H 15 8.223 8.223 8.557 -0.334 17948 3885 1 9 . 1 1 16 16 ALA N N 16 123.491 123.491 120.646 2.845 17948 3886 1 9 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.087 0.197 17948 3887 1 9 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.835 -0.335 17948 3888 1 9 . 1 1 16 16 ALA CB C 16 19.200 19.200 18.837 0.363 17948 3889 1 9 . 1 1 16 16 ALA H H 16 8.033 8.033 8.246 -0.213 17948 3890 1 9 . 1 1 17 17 LEU N N 17 120.066 120.066 120.676 -0.610 17948 3891 1 9 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.426 -0.092 17948 3892 1 9 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.648 -0.747 17948 3893 1 9 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.547 -0.247 17948 3894 1 9 . 1 1 17 17 LEU H H 17 7.901 7.901 8.299 -0.398 17948 3895 1 9 . 1 1 18 18 LYS N N 18 122.658 122.658 118.901 3.757 17948 3896 1 9 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.625 -0.345 17948 3897 1 9 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.783 -0.783 17948 3898 1 9 . 1 1 18 18 LYS CB C 18 32.637 32.637 34.400 -1.763 17948 3899 1 9 . 1 1 18 18 LYS H H 18 8.081 8.081 7.986 0.095 17948 3900 1 9 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.416 0.011 17948 3901 1 9 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.087 0.213 17948 3902 1 9 . 1 1 19 19 PRO CB C 19 31.900 31.900 30.757 1.143 17948 3903 1 9 . 1 1 20 20 ASP N N 20 119.912 119.912 120.776 -0.864 17948 3904 1 9 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.346 0.225 17948 3905 1 9 . 1 1 20 20 ASP CA C 20 54.500 54.500 55.684 -1.184 17948 3906 1 9 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.029 -0.129 17948 3907 1 9 . 1 1 20 20 ASP H H 20 8.398 8.398 8.225 0.173 17948 3908 1 9 . 1 1 21 21 SER N N 21 115.552 115.552 114.992 0.560 17948 3909 1 9 . 1 1 21 21 SER HA H 21 4.513 4.513 4.645 -0.132 17948 3910 1 9 . 1 1 21 21 SER CA C 21 58.726 58.726 58.063 0.663 17948 3911 1 9 . 1 1 21 21 SER CB C 21 63.709 63.709 63.868 -0.159 17948 3912 1 9 . 1 1 21 21 SER H H 21 8.113 8.113 8.348 -0.235 17948 3913 1 9 . 1 1 22 22 GLN N N 22 119.920 119.920 122.712 -2.792 17948 3914 1 9 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.432 -0.152 17948 3915 1 9 . 1 1 22 22 GLN H H 22 8.224 8.224 8.331 -0.107 17948 3916 1 9 . 1 1 23 23 LYS N N 23 121.734 121.734 119.569 2.165 17948 3917 1 9 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.202 0.078 17948 3918 1 9 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.483 -0.310 17948 3919 1 9 . 1 1 23 23 LYS CB C 23 30.593 30.593 32.881 -2.288 17948 3920 1 9 . 1 1 23 23 LYS H H 23 8.415 8.415 8.638 -0.223 17948 3921 1 9 . 1 1 24 24 SER N N 24 126.408 126.408 113.989 12.419 17948 3922 1 9 . 1 1 24 24 SER HA H 24 4.510 4.510 4.232 0.278 17948 3923 1 9 . 1 1 24 24 SER CA C 24 57.341 57.341 58.622 -1.281 17948 3924 1 9 . 1 1 24 24 SER CB C 24 63.800 63.800 63.099 0.701 17948 3925 1 9 . 1 1 24 24 SER H H 24 7.595 7.595 7.739 -0.144 17948 3926 1 9 . 1 1 25 25 TYR N N 25 120.790 120.790 120.281 0.509 17948 3927 1 9 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.625 -0.169 17948 3928 1 9 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.254 1.482 17948 3929 1 9 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.737 -1.668 17948 3930 1 9 . 1 1 25 25 TYR H H 25 8.370 8.370 8.308 0.062 17948 3931 1 9 . 1 1 26 26 ALA N N 26 122.684 122.684 123.262 -0.578 17948 3932 1 9 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.356 -0.192 17948 3933 1 9 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.962 1.038 17948 3934 1 9 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.225 -0.325 17948 3935 1 9 . 1 1 26 26 ALA H H 26 8.405 8.405 8.863 -0.458 17948 3936 1 9 . 1 1 27 27 GLU N N 27 118.504 118.504 118.587 -0.083 17948 3937 1 9 . 1 1 27 27 GLU HA H 27 4.116 4.116 3.887 0.229 17948 3938 1 9 . 1 1 27 27 GLU CA C 27 58.000 58.000 57.457 0.543 17948 3939 1 9 . 1 1 27 27 GLU CB C 27 30.000 30.000 28.258 1.742 17948 3940 1 9 . 1 1 27 27 GLU H H 27 7.988 7.988 8.636 -0.648 17948 3941 1 9 . 1 1 28 28 GLN N N 28 119.735 119.735 120.037 -0.302 17948 3942 1 9 . 1 1 28 28 GLN HA H 28 4.224 4.224 3.996 0.228 17948 3943 1 9 . 1 1 28 28 GLN CA C 28 57.600 57.600 57.242 0.358 17948 3944 1 9 . 1 1 28 28 GLN CB C 28 29.400 29.400 28.944 0.456 17948 3945 1 9 . 1 1 28 28 GLN H H 28 8.282 8.282 8.239 0.043 17948 3946 1 9 . 1 1 29 29 GLY N N 29 108.734 108.734 108.907 -0.173 17948 3947 1 9 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.130 1.270 17948 3948 1 9 . 1 1 29 29 GLY H H 29 8.645 8.645 8.823 -0.178 17948 3949 1 9 . 1 1 30 30 LYS N N 30 120.800 120.800 119.973 0.827 17948 3950 1 9 . 1 1 30 30 LYS HA H 30 4.280 4.280 5.017 -0.737 17948 3951 1 9 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.589 2.403 17948 3952 1 9 . 1 1 30 30 LYS CB C 30 29.800 29.800 34.944 -5.144 17948 3953 1 9 . 1 1 30 30 LYS H H 30 8.140 8.140 8.997 -0.857 17948 3954 1 9 . 1 1 31 31 GLU N N 31 119.994 119.994 120.741 -0.747 17948 3955 1 9 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.625 -0.365 17948 3956 1 9 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.312 4.088 17948 3957 1 9 . 1 1 31 31 GLU CB C 31 32.521 32.521 32.016 0.505 17948 3958 1 9 . 1 1 31 31 GLU H H 31 8.039 8.039 8.849 -0.810 17948 3959 1 9 . 1 1 32 32 TYR N N 32 119.254 119.254 119.676 -0.422 17948 3960 1 9 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.643 -0.013 17948 3961 1 9 . 1 1 32 32 TYR CA C 32 58.020 58.020 58.009 0.011 17948 3962 1 9 . 1 1 32 32 TYR CB C 32 39.160 39.160 38.875 0.285 17948 3963 1 9 . 1 1 32 32 TYR H H 32 7.994 7.994 8.358 -0.364 17948 3964 1 9 . 1 1 33 33 ILE N N 33 121.600 121.600 120.231 1.369 17948 3965 1 9 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.300 -0.276 17948 3966 1 9 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.511 0.589 17948 3967 1 9 . 1 1 33 33 ILE CB C 33 38.300 38.300 39.869 -1.569 17948 3968 1 9 . 1 1 33 33 ILE H H 33 8.260 8.260 7.832 0.428 17948 3969 1 9 . 1 1 34 34 THR N N 34 115.849 115.849 117.256 -1.407 17948 3970 1 9 . 1 1 34 34 THR HA H 34 4.480 4.480 4.349 0.131 17948 3971 1 9 . 1 1 34 34 THR CA C 34 63.600 63.600 61.874 1.726 17948 3972 1 9 . 1 1 34 34 THR CB C 34 69.300 69.300 69.631 -0.331 17948 3973 1 9 . 1 1 34 34 THR H H 34 8.082 8.082 8.264 -0.182 17948 3974 1 9 . 1 1 35 35 ASP N N 35 122.190 122.190 122.312 -0.122 17948 3975 1 9 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.459 0.095 17948 3976 1 9 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.497 0.903 17948 3977 1 9 . 1 1 35 35 ASP CB C 35 41.500 41.500 40.769 0.731 17948 3978 1 9 . 1 1 35 35 ASP H H 35 8.102 8.102 8.193 -0.091 17948 3979 1 9 . 1 1 36 36 LYS N N 36 119.451 119.451 121.114 -1.663 17948 3980 1 9 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.305 -0.095 17948 3981 1 9 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.233 0.267 17948 3982 1 9 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.434 -0.934 17948 3983 1 9 . 1 1 36 36 LYS H H 36 7.983 7.983 8.179 -0.196 17948 3984 1 9 . 1 1 37 37 ALA N N 37 123.038 123.038 127.262 -4.224 17948 3985 1 9 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.473 -0.292 17948 3986 1 9 . 1 1 37 37 ALA CA C 37 53.600 53.600 51.800 1.800 17948 3987 1 9 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.548 -0.748 17948 3988 1 9 . 1 1 37 37 ALA H H 37 8.241 8.241 8.535 -0.294 17948 3989 1 9 . 1 1 38 38 ASP N N 38 118.323 118.323 121.835 -3.512 17948 3990 1 9 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.587 -0.083 17948 3991 1 9 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.773 1.327 17948 3992 1 9 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.626 -0.626 17948 3993 1 9 . 1 1 38 38 ASP H H 38 8.144 8.144 8.142 0.002 17948 3994 1 9 . 1 1 39 39 LYS N N 39 120.011 120.011 122.741 -2.730 17948 3995 1 9 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.778 -0.503 17948 3996 1 9 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.859 1.041 17948 3997 1 9 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.892 -1.138 17948 3998 1 9 . 1 1 39 39 LYS H H 39 7.960 7.960 8.505 -0.544 17948 3999 1 9 . 1 1 40 40 VAL N N 40 119.113 119.113 121.074 -1.961 17948 4000 1 9 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.432 -0.388 17948 4001 1 9 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.602 1.298 17948 4002 1 9 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.165 0.335 17948 4003 1 9 . 1 1 40 40 VAL H H 40 7.948 7.948 8.785 -0.837 17948 4004 1 9 . 1 1 41 41 ALA N N 41 125.220 125.220 126.137 -0.917 17948 4005 1 9 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.531 -0.237 17948 4006 1 9 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.364 1.536 17948 4007 1 9 . 1 1 41 41 ALA CB C 41 19.100 19.100 17.015 2.085 17948 4008 1 9 . 1 1 41 41 ALA H H 41 8.168 8.168 8.368 -0.200 17948 4009 1 9 . 1 1 42 42 GLY N N 42 107.007 107.007 108.583 -1.576 17948 4010 1 9 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.050 0.350 17948 4011 1 9 . 1 1 42 42 GLY H H 42 8.130 8.130 7.833 0.297 17948 4012 1 9 . 1 1 43 43 LYS N N 43 122.310 122.310 123.453 -1.143 17948 4013 1 9 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.628 -0.257 17948 4014 1 9 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.189 0.811 17948 4015 1 9 . 1 1 43 43 LYS CB C 43 33.000 33.000 35.747 -2.747 17948 4016 1 9 . 1 1 43 43 LYS H H 43 8.253 8.253 7.949 0.304 17948 4017 1 9 . 1 1 44 44 VAL N N 44 120.734 120.734 120.579 0.155 17948 4018 1 9 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.964 0.176 17948 4019 1 9 . 1 1 44 44 VAL CA C 44 62.000 62.000 63.462 -1.462 17948 4020 1 9 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.446 0.254 17948 4021 1 9 . 1 1 44 44 VAL H H 44 8.026 8.026 8.443 -0.417 17948 4022 1 9 . 1 1 45 45 GLN N N 45 124.893 124.893 125.672 -0.779 17948 4023 1 9 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.664 -0.384 17948 4024 1 9 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.037 -0.637 17948 4025 1 9 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.287 -0.287 17948 4026 1 9 . 1 1 45 45 GLN H H 45 8.385 8.385 8.594 -0.209 17948 4027 1 9 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.361 -0.190 17948 4028 1 9 . 1 1 46 46 PRO CA C 46 61.800 61.800 64.222 -2.422 17948 4029 1 9 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.242 0.687 17948 4030 1 9 . 1 1 47 47 GLU N N 47 123.526 123.526 119.763 3.763 17948 4031 1 9 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.161 0.099 17948 4032 1 9 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.901 -0.701 17948 4033 1 9 . 1 1 47 47 GLU CB C 47 30.700 30.700 29.712 0.988 17948 4034 1 9 . 1 1 47 47 GLU H H 47 8.039 8.039 8.365 -0.326 17948 4035 1 9 . 1 1 48 48 ASP N N 48 122.131 122.131 117.598 4.533 17948 4036 1 9 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.349 0.249 17948 4037 1 9 . 1 1 48 48 ASP CA C 48 56.330 56.330 55.396 0.934 17948 4038 1 9 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.081 -10.381 17948 4039 1 9 . 1 1 48 48 ASP H H 48 8.402 8.402 8.489 -0.087 17948 4040 1 9 . 1 1 49 49 ASN N N 49 121.154 121.154 116.991 4.163 17948 4041 1 9 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.730 -0.030 17948 4042 1 9 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.062 -1.462 17948 4043 1 9 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.773 1.800 17948 4044 1 9 . 1 1 49 49 ASN H H 49 8.338 8.338 8.300 0.038 17948 4045 1 9 . 1 1 50 50 LYS N N 50 120.660 120.660 118.712 1.948 17948 4046 1 9 . 1 1 50 50 LYS HA H 50 4.299 4.299 5.013 -0.714 17948 4047 1 9 . 1 1 50 50 LYS H H 50 8.247 8.247 8.927 -0.680 17948 4048 1 9 . 1 1 51 51 GLY N N 51 108.915 108.915 111.959 -3.044 17948 4049 1 9 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.978 0.422 17948 4050 1 9 . 1 1 51 51 GLY H H 51 8.320 8.320 8.384 -0.064 17948 4051 1 9 . 1 1 52 52 VAL N N 52 118.906 118.906 119.546 -0.640 17948 4052 1 9 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.816 -0.770 17948 4053 1 9 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.714 0.686 17948 4054 1 9 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.272 -0.772 17948 4055 1 9 . 1 1 52 52 VAL H H 52 7.836 7.836 8.268 -0.432 17948 4056 1 9 . 1 1 53 53 PHE N N 53 123.002 123.002 124.685 -1.683 17948 4057 1 9 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.765 -0.117 17948 4058 1 9 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.885 -0.285 17948 4059 1 9 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.658 -1.258 17948 4060 1 9 . 1 1 53 53 PHE H H 53 8.284 8.284 8.407 -0.123 17948 4061 1 9 . 1 1 54 54 GLN N N 54 122.278 122.278 123.444 -1.166 17948 4062 1 9 . 1 1 54 54 GLN HA H 54 4.313 4.313 5.044 -0.731 17948 4063 1 9 . 1 1 54 54 GLN CA C 54 55.800 55.800 54.158 1.642 17948 4064 1 9 . 1 1 54 54 GLN CB C 54 29.500 29.500 31.738 -2.239 17948 4065 1 9 . 1 1 54 54 GLN H H 54 8.223 8.223 8.480 -0.257 17948 4066 1 9 . 1 1 55 55 GLY N N 55 109.285 109.285 109.066 0.219 17948 4067 1 9 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.632 0.568 17948 4068 1 9 . 1 1 55 55 GLY H H 55 7.900 7.900 8.222 -0.322 17948 4069 1 9 . 1 1 56 56 VAL H H 56 7.898 7.898 7.985 -0.087 17948 4070 1 9 . 1 1 57 57 HIS N N 57 120.411 120.411 117.402 3.009 17948 4071 1 9 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.830 -0.581 17948 4072 1 9 . 1 1 57 57 HIS H H 57 8.529 8.529 8.158 0.371 17948 4073 1 9 . 1 1 58 58 ASP N N 58 120.960 120.960 122.002 -1.042 17948 4074 1 9 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.820 -0.210 17948 4075 1 9 . 1 1 58 58 ASP H H 58 8.234 8.234 8.172 0.062 17948 4076 1 9 . 1 1 59 59 SER N N 59 116.391 116.391 116.914 -0.523 17948 4077 1 9 . 1 1 59 59 SER HA H 59 4.398 4.398 4.572 -0.174 17948 4078 1 9 . 1 1 59 59 SER CA C 59 58.500 58.500 57.947 0.553 17948 4079 1 9 . 1 1 59 59 SER CB C 59 63.700 63.700 64.328 -0.628 17948 4080 1 9 . 1 1 59 59 SER H H 59 8.248 8.248 7.971 0.277 17948 4081 1 9 . 1 1 60 60 ALA N N 60 125.620 125.620 125.864 -0.244 17948 4082 1 9 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.026 0.282 17948 4083 1 9 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.449 0.351 17948 4084 1 9 . 1 1 60 60 ALA CB C 60 19.161 19.161 18.760 0.401 17948 4085 1 9 . 1 1 60 60 ALA H H 60 8.290 8.290 8.713 -0.423 17948 4086 1 9 . 1 1 61 61 GLU N N 61 119.550 119.550 119.210 0.340 17948 4087 1 9 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.177 0.074 17948 4088 1 9 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.818 -0.218 17948 4089 1 9 . 1 1 61 61 GLU CB C 61 30.100 30.100 29.235 0.865 17948 4090 1 9 . 1 1 61 61 GLU H H 61 8.206 8.206 8.394 -0.188 17948 4091 1 9 . 1 1 62 62 LYS N N 62 122.003 122.003 120.834 1.169 17948 4092 1 9 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.376 -0.076 17948 4093 1 9 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.438 0.362 17948 4094 1 9 . 1 1 62 62 LYS CB C 62 32.900 32.900 33.397 -0.497 17948 4095 1 9 . 1 1 62 62 LYS H H 62 8.157 8.157 8.417 -0.260 17948 4096 1 9 . 1 1 63 63 GLY N N 63 109.728 109.728 107.826 1.902 17948 4097 1 9 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.731 0.569 17948 4098 1 9 . 1 1 63 63 GLY H H 63 8.371 8.371 7.952 0.419 17948 4099 1 9 . 1 1 64 64 LYS N N 64 120.537 120.537 121.236 -0.699 17948 4100 1 9 . 1 1 64 64 LYS HA H 64 4.340 4.340 3.971 0.369 17948 4101 1 9 . 1 1 64 64 LYS CA C 64 56.200 56.200 58.221 -2.021 17948 4102 1 9 . 1 1 64 64 LYS CB C 64 33.000 33.000 31.910 1.090 17948 4103 1 9 . 1 1 64 64 LYS H H 64 8.078 8.078 8.468 -0.390 17948 4104 1 9 . 1 1 65 65 ASP N N 65 120.981 120.981 121.175 -0.194 17948 4105 1 9 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.597 -0.007 17948 4106 1 9 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.993 -0.693 17948 4107 1 9 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.255 -0.055 17948 4108 1 9 . 1 1 65 65 ASP H H 65 8.336 8.336 8.231 0.105 17948 4109 1 9 . 1 1 66 66 ASN N N 66 119.056 119.056 119.570 -0.514 17948 4110 1 9 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.808 -0.117 17948 4111 1 9 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.216 -0.016 17948 4112 1 9 . 1 1 66 66 ASN CB C 66 39.000 39.000 40.056 -1.056 17948 4113 1 9 . 1 1 66 66 ASN H H 66 8.280 8.280 8.259 0.021 17948 4114 1 9 . 1 1 67 67 ALA N N 67 124.164 124.164 125.120 -0.956 17948 4115 1 9 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.135 0.178 17948 4116 1 9 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.908 -0.184 17948 4117 1 9 . 1 1 67 67 ALA CB C 67 19.171 19.171 18.686 0.485 17948 4118 1 9 . 1 1 67 67 ALA H H 67 8.248 8.248 8.423 -0.175 17948 4119 1 9 . 1 1 68 68 GLU N N 68 119.599 119.599 122.264 -2.665 17948 4120 1 9 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.460 -0.178 17948 4121 1 9 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.658 1.154 17948 4122 1 9 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.991 -1.865 17948 4123 1 9 . 1 1 68 68 GLU H H 68 8.295 8.295 8.386 -0.091 17948 4124 1 9 . 1 1 69 69 GLY N N 69 109.616 109.616 108.534 1.082 17948 4125 1 9 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.233 0.207 17948 4126 1 9 . 1 1 69 69 GLY H H 69 8.348 8.348 8.208 0.140 17948 4127 1 9 . 1 1 70 70 GLN N N 70 119.476 119.476 118.739 0.737 17948 4128 1 9 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.471 -0.083 17948 4129 1 9 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.812 0.048 17948 4130 1 9 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.522 -0.022 17948 4131 1 9 . 1 1 70 70 GLN H H 70 8.200 8.200 8.421 -0.221 17948 4132 1 9 . 1 1 71 71 GLY N N 71 109.928 109.928 109.968 -0.040 17948 4133 1 9 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.341 0.019 17948 4134 1 9 . 1 1 71 71 GLY H H 71 8.438 8.438 7.987 0.451 17948 4135 1 9 . 1 1 72 72 GLU N N 72 120.438 120.438 120.320 0.118 17948 4136 1 9 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.582 -0.184 17948 4137 1 9 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.678 -0.278 17948 4138 1 9 . 1 1 72 72 GLU CB C 72 30.700 30.700 30.469 0.231 17948 4139 1 9 . 1 1 72 72 GLU H H 72 8.296 8.296 8.498 -0.203 17948 4140 1 9 . 1 1 73 73 SER N N 73 117.699 117.699 114.052 3.647 17948 4141 1 9 . 1 1 73 73 SER HA H 73 4.601 4.601 4.469 0.132 17948 4142 1 9 . 1 1 73 73 SER CA C 73 58.011 58.011 58.894 -0.882 17948 4143 1 9 . 1 1 73 73 SER CB C 73 64.816 64.816 63.577 1.239 17948 4144 1 9 . 1 1 73 73 SER H H 73 8.666 8.666 7.932 0.734 17948 4145 1 9 . 1 1 74 74 LEU N N 74 125.422 125.422 123.698 1.724 17948 4146 1 9 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.347 -0.106 17948 4147 1 9 . 1 1 74 74 LEU CA C 74 57.723 57.723 55.857 1.866 17948 4148 1 9 . 1 1 74 74 LEU CB C 74 42.155 42.155 40.935 1.220 17948 4149 1 9 . 1 1 74 74 LEU H H 74 8.899 8.899 8.651 0.248 17948 4150 1 9 . 1 1 75 75 ALA N N 75 120.685 120.685 121.404 -0.719 17948 4151 1 9 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.991 0.030 17948 4152 1 9 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.199 -0.399 17948 4153 1 9 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.093 0.507 17948 4154 1 9 . 1 1 75 75 ALA H H 75 8.389 8.389 8.272 0.117 17948 4155 1 9 . 1 1 76 76 ASP N N 76 117.754 117.754 118.382 -0.628 17948 4156 1 9 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.298 0.136 17948 4157 1 9 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.664 -0.964 17948 4158 1 9 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.593 0.090 17948 4159 1 9 . 1 1 76 76 ASP H H 76 7.777 7.777 7.881 -0.104 17948 4160 1 9 . 1 1 77 77 GLN N N 77 119.402 119.402 117.554 1.848 17948 4161 1 9 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.042 0.179 17948 4162 1 9 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.789 -0.945 17948 4163 1 9 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.421 1.181 17948 4164 1 9 . 1 1 77 77 GLN H H 77 8.038 8.038 8.089 -0.051 17948 4165 1 9 . 1 1 78 78 ALA N N 78 121.376 121.376 122.512 -1.136 17948 4166 1 9 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.163 0.008 17948 4167 1 9 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.607 -0.057 17948 4168 1 9 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.176 0.678 17948 4169 1 9 . 1 1 78 78 ALA H H 78 8.427 8.427 7.378 1.049 17948 4170 1 9 . 1 1 79 79 ARG N N 79 117.905 117.905 119.020 -1.115 17948 4171 1 9 . 1 1 79 79 ARG HA H 79 4.018 4.018 3.994 0.024 17948 4172 1 9 . 1 1 79 79 ARG CA C 79 59.293 59.293 59.563 -0.270 17948 4173 1 9 . 1 1 79 79 ARG CB C 79 30.159 30.159 30.194 -0.035 17948 4174 1 9 . 1 1 79 79 ARG H H 79 8.031 8.031 8.161 -0.130 17948 4175 1 9 . 1 1 80 80 ASP N N 80 120.290 120.290 119.753 0.537 17948 4176 1 9 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.452 0.109 17948 4177 1 9 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.328 -1.052 17948 4178 1 9 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.893 -0.393 17948 4179 1 9 . 1 1 80 80 ASP H H 80 8.126 8.126 8.073 0.053 17948 4180 1 9 . 1 1 81 81 TYR N N 81 120.191 120.191 120.214 -0.023 17948 4181 1 9 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.273 0.067 17948 4182 1 9 . 1 1 81 81 TYR CA C 81 61.119 61.119 61.164 -0.045 17948 4183 1 9 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.818 -0.318 17948 4184 1 9 . 1 1 81 81 TYR H H 81 8.250 8.250 7.605 0.645 17948 4185 1 9 . 1 1 82 82 MET N N 82 117.996 117.996 118.858 -0.862 17948 4186 1 9 . 1 1 82 82 MET HA H 82 4.222 4.222 4.021 0.201 17948 4187 1 9 . 1 1 82 82 MET CA C 82 58.618 58.618 59.756 -1.138 17948 4188 1 9 . 1 1 82 82 MET CB C 82 32.875 32.875 32.310 0.565 17948 4189 1 9 . 1 1 82 82 MET H H 82 8.354 8.354 8.482 -0.128 17948 4190 1 9 . 1 1 83 83 GLY N N 83 106.902 106.902 104.681 2.221 17948 4191 1 9 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.207 -0.007 17948 4192 1 9 . 1 1 83 83 GLY H H 83 8.365 8.365 7.830 0.535 17948 4193 1 9 . 1 1 84 84 ALA N N 84 124.830 124.830 123.300 1.530 17948 4194 1 9 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.289 0.029 17948 4195 1 9 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.882 0.396 17948 4196 1 9 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.172 0.397 17948 4197 1 9 . 1 1 84 84 ALA H H 84 7.950 7.950 7.289 0.661 17948 4198 1 9 . 1 1 85 85 ALA N N 85 120.542 120.542 121.263 -0.721 17948 4199 1 9 . 1 1 85 85 ALA HA H 85 4.037 4.037 4.086 -0.049 17948 4200 1 9 . 1 1 85 85 ALA CA C 85 54.979 54.979 55.026 -0.047 17948 4201 1 9 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.333 0.167 17948 4202 1 9 . 1 1 85 85 ALA H H 85 8.274 8.274 8.180 0.094 17948 4203 1 9 . 1 1 86 86 LYS N N 86 116.920 116.920 118.912 -1.992 17948 4204 1 9 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.050 -0.163 17948 4205 1 9 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.789 1.271 17948 4206 1 9 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.759 0.541 17948 4207 1 9 . 1 1 86 86 LYS H H 86 8.265 8.265 7.702 0.563 17948 4208 1 9 . 1 1 87 87 SER N N 87 113.664 113.664 115.154 -1.490 17948 4209 1 9 . 1 1 87 87 SER HA H 87 4.312 4.312 4.149 0.163 17948 4210 1 9 . 1 1 87 87 SER CA C 87 61.330 61.330 61.569 -0.239 17948 4211 1 9 . 1 1 87 87 SER CB C 87 62.900 62.900 62.952 -0.051 17948 4212 1 9 . 1 1 87 87 SER H H 87 7.926 7.926 7.770 0.156 17948 4213 1 9 . 1 1 88 88 LYS N N 88 120.310 120.310 120.928 -0.618 17948 4214 1 9 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.055 0.331 17948 4215 1 9 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.188 -1.844 17948 4216 1 9 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.442 -0.642 17948 4217 1 9 . 1 1 88 88 LYS H H 88 7.859 7.859 7.705 0.154 17948 4218 1 9 . 1 1 89 89 LEU N N 89 119.648 119.648 121.539 -1.891 17948 4219 1 9 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.984 0.117 17948 4220 1 9 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.767 0.300 17948 4221 1 9 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.974 0.527 17948 4222 1 9 . 1 1 89 89 LEU H H 89 8.158 8.158 7.815 0.343 17948 4223 1 9 . 1 1 90 90 ASN N N 90 117.422 117.422 117.149 0.273 17948 4224 1 9 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.345 0.053 17948 4225 1 9 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.719 0.340 17948 4226 1 9 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.386 0.114 17948 4227 1 9 . 1 1 90 90 ASN H H 90 8.240 8.240 7.899 0.341 17948 4228 1 9 . 1 1 91 91 ASP N N 91 119.945 119.945 119.371 0.574 17948 4229 1 9 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.462 -0.021 17948 4230 1 9 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.391 -0.047 17948 4231 1 9 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.731 -0.431 17948 4232 1 9 . 1 1 91 91 ASP H H 91 8.111 8.111 7.552 0.559 17948 4233 1 9 . 1 1 92 92 ALA N N 92 123.226 123.226 122.473 0.753 17948 4234 1 9 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.199 -0.025 17948 4235 1 9 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.809 0.564 17948 4236 1 9 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.493 -0.193 17948 4237 1 9 . 1 1 92 92 ALA H H 92 8.240 8.240 7.474 0.766 17948 4238 1 9 . 1 1 93 93 VAL N N 93 117.940 117.940 119.446 -1.506 17948 4239 1 9 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.503 0.096 17948 4240 1 9 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.090 -0.197 17948 4241 1 9 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.403 0.210 17948 4242 1 9 . 1 1 93 93 VAL H H 93 8.410 8.410 8.165 0.245 17948 4243 1 9 . 1 1 94 94 GLU N N 94 120.610 120.610 119.174 1.436 17948 4244 1 9 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.923 0.127 17948 4245 1 9 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.694 -0.094 17948 4246 1 9 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.648 -0.048 17948 4247 1 9 . 1 1 94 94 GLU H H 94 8.289 8.289 7.866 0.423 17948 4248 1 9 . 1 1 95 95 TYR N N 95 120.241 120.241 119.365 0.876 17948 4249 1 9 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.237 0.033 17948 4250 1 9 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.345 -0.045 17948 4251 1 9 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.688 0.012 17948 4252 1 9 . 1 1 95 95 TYR H H 95 8.186 8.186 7.421 0.765 17948 4253 1 9 . 1 1 96 96 VAL N N 96 116.942 116.942 118.171 -1.229 17948 4254 1 9 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.515 0.031 17948 4255 1 9 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.613 -0.543 17948 4256 1 9 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.040 0.706 17948 4257 1 9 . 1 1 96 96 VAL H H 96 8.394 8.394 8.164 0.230 17948 4258 1 9 . 1 1 97 97 SER N N 97 113.924 113.924 115.396 -1.472 17948 4259 1 9 . 1 1 97 97 SER HA H 97 4.145 4.145 4.209 -0.064 17948 4260 1 9 . 1 1 97 97 SER CA C 97 61.393 61.393 61.313 0.080 17948 4261 1 9 . 1 1 97 97 SER CB C 97 63.415 63.415 62.716 0.699 17948 4262 1 9 . 1 1 97 97 SER H H 97 8.433 8.433 8.698 -0.265 17948 4263 1 9 . 1 1 98 98 GLY N N 98 107.509 107.509 108.154 -0.645 17948 4264 1 9 . 1 1 98 98 GLY CA C 98 46.298 46.298 45.928 0.370 17948 4265 1 9 . 1 1 98 98 GLY H H 98 7.899 7.899 7.548 0.351 17948 4266 1 9 . 1 1 99 99 ARG N N 99 119.471 119.471 119.488 -0.017 17948 4267 1 9 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.267 0.001 17948 4268 1 9 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.110 0.417 17948 4269 1 9 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.697 -0.397 17948 4270 1 9 . 1 1 99 99 ARG H H 99 7.696 7.696 7.685 0.011 17948 4271 1 9 . 1 1 100 100 VAL N N 100 117.316 117.316 121.652 -4.336 17948 4272 1 9 . 1 1 100 100 VAL HA H 100 3.960 3.960 4.007 -0.047 17948 4273 1 9 . 1 1 100 100 VAL CA C 100 63.400 63.400 62.196 1.204 17948 4274 1 9 . 1 1 100 100 VAL CB C 100 32.320 32.320 29.534 2.786 17948 4275 1 9 . 1 1 100 100 VAL H H 100 7.906 7.906 7.392 0.514 17948 4276 1 9 . 1 1 101 101 HIS N N 101 119.155 119.155 122.540 -3.385 17948 4277 1 9 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.234 0.467 17948 4278 1 9 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.448 -1.248 17948 4279 1 9 . 1 1 101 101 HIS CB C 101 30.048 30.048 30.462 -0.414 17948 4280 1 9 . 1 1 101 101 HIS H H 101 8.130 8.130 8.195 -0.065 17948 4281 1 9 . 1 1 102 102 GLY N N 102 109.145 109.145 107.403 1.742 17948 4282 1 9 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.208 0.125 17948 4283 1 9 . 1 1 102 102 GLY H H 102 8.086 8.086 8.471 -0.385 17948 4284 1 9 . 1 1 103 103 GLU N N 103 119.345 119.345 123.291 -3.946 17948 4285 1 9 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.526 -0.196 17948 4286 1 9 . 1 1 103 103 GLU CA C 103 62.300 62.300 55.399 6.901 17948 4287 1 9 . 1 1 103 103 GLU CB C 103 32.754 32.754 33.237 -0.483 17948 4288 1 9 . 1 1 103 103 GLU H H 103 7.932 7.932 8.000 -0.068 17948 4289 1 9 . 1 1 104 104 GLU N N 104 122.105 122.105 121.869 0.236 17948 4290 1 9 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.554 -0.282 17948 4291 1 9 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.728 -0.496 17948 4292 1 9 . 1 1 104 104 GLU CB C 104 30.500 30.500 30.532 -0.031 17948 4293 1 9 . 1 1 104 104 GLU H H 104 8.325 8.325 8.605 -0.280 17948 4294 1 9 . 1 1 105 105 ASP N N 105 124.188 124.188 120.908 3.280 17948 4295 1 9 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.784 -0.174 17948 4296 1 9 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.177 1.343 17948 4297 1 9 . 1 1 105 105 ASP CB C 105 40.700 40.700 40.319 0.381 17948 4298 1 9 . 1 1 105 105 ASP H H 105 8.077 8.077 8.271 -0.194 17948 4299 1 9 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.553 -0.069 17948 4300 1 9 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.630 1.194 17948 4301 1 9 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.589 -0.389 17948 4302 1 9 . 1 1 107 107 THR N N 107 111.950 111.950 115.918 -3.968 17948 4303 1 9 . 1 1 107 107 THR HA H 107 4.273 4.273 4.427 -0.154 17948 4304 1 9 . 1 1 107 107 THR CA C 107 62.700 62.700 61.675 1.025 17948 4305 1 9 . 1 1 107 107 THR CB C 107 69.400 69.400 69.491 -0.091 17948 4306 1 9 . 1 1 107 107 THR H H 107 8.339 8.339 8.232 0.107 17948 4307 1 9 . 1 1 108 108 LYS N N 108 123.349 123.349 123.762 -0.413 17948 4308 1 9 . 1 1 108 108 LYS HA H 108 4.357 4.357 3.929 0.428 17948 4309 1 9 . 1 1 108 108 LYS CA C 108 56.000 56.000 57.048 -1.048 17948 4310 1 9 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.813 -0.013 17948 4311 1 9 . 1 1 108 108 LYS H H 108 7.727 7.727 8.696 -0.969 17948 4312 1 10 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.207 0.403 17948 4313 1 10 . 1 1 3 3 ASP H H 3 8.330 8.330 8.791 -0.461 17948 4314 1 10 . 1 1 4 4 ALA N N 4 124.218 124.218 122.797 1.421 17948 4315 1 10 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.062 0.198 17948 4316 1 10 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.298 0.702 17948 4317 1 10 . 1 1 4 4 ALA CB C 4 18.965 18.965 18.479 0.486 17948 4318 1 10 . 1 1 4 4 ALA H H 4 8.180 8.180 8.109 0.071 17948 4319 1 10 . 1 1 5 5 GLY N N 5 107.349 107.349 108.041 -0.692 17948 4320 1 10 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.565 0.535 17948 4321 1 10 . 1 1 5 5 GLY H H 5 8.344 8.344 8.294 0.050 17948 4322 1 10 . 1 1 6 6 ARG N N 6 119.351 119.351 119.727 -0.376 17948 4323 1 10 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.161 0.109 17948 4324 1 10 . 1 1 6 6 ARG H H 6 7.971 7.971 8.440 -0.469 17948 4325 1 10 . 1 1 7 7 LYS N N 7 122.700 122.700 122.013 0.687 17948 4326 1 10 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.407 -0.127 17948 4327 1 10 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.333 1.067 17948 4328 1 10 . 1 1 7 7 LYS CB C 7 32.900 32.900 33.665 -0.765 17948 4329 1 10 . 1 1 7 7 LYS H H 7 8.034 8.034 8.070 -0.036 17948 4330 1 10 . 1 1 8 8 GLY H H 8 8.340 8.340 8.397 -0.057 17948 4331 1 10 . 1 1 9 9 PHE N N 9 122.017 122.017 123.387 -1.370 17948 4332 1 10 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.573 0.047 17948 4333 1 10 . 1 1 9 9 PHE CA C 9 56.000 56.000 59.096 -3.095 17948 4334 1 10 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.443 0.507 17948 4335 1 10 . 1 1 9 9 PHE H H 9 8.093 8.093 8.783 -0.690 17948 4336 1 10 . 1 1 10 10 GLY N N 10 120.389 120.389 108.244 12.145 17948 4337 1 10 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.637 0.917 17948 4338 1 10 . 1 1 10 10 GLY H H 10 7.996 7.996 7.933 0.063 17948 4339 1 10 . 1 1 11 11 GLU N N 11 120.847 120.847 119.528 1.319 17948 4340 1 10 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.222 0.038 17948 4341 1 10 . 1 1 11 11 GLU CA C 11 57.061 57.061 57.135 -0.074 17948 4342 1 10 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.321 -0.121 17948 4343 1 10 . 1 1 11 11 GLU H H 11 8.168 8.168 8.112 0.056 17948 4344 1 10 . 1 1 12 12 LYS N N 12 121.524 121.524 119.988 1.536 17948 4345 1 10 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.441 -0.161 17948 4346 1 10 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.236 0.316 17948 4347 1 10 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.453 -0.653 17948 4348 1 10 . 1 1 12 12 LYS H H 12 8.273 8.273 8.224 0.049 17948 4349 1 10 . 1 1 13 13 ALA N N 13 124.765 124.765 127.564 -2.799 17948 4350 1 10 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.292 -0.032 17948 4351 1 10 . 1 1 13 13 ALA CA C 13 53.056 53.056 53.239 -0.183 17948 4352 1 10 . 1 1 13 13 ALA CB C 13 18.900 18.900 18.674 0.226 17948 4353 1 10 . 1 1 13 13 ALA H H 13 8.288 8.288 8.412 -0.124 17948 4354 1 10 . 1 1 14 14 SER N N 14 114.047 114.047 115.175 -1.128 17948 4355 1 10 . 1 1 14 14 SER HA H 14 4.342 4.342 4.299 0.043 17948 4356 1 10 . 1 1 14 14 SER CA C 14 58.918 58.918 58.527 0.391 17948 4357 1 10 . 1 1 14 14 SER CB C 14 63.539 63.539 63.316 0.223 17948 4358 1 10 . 1 1 14 14 SER H H 14 8.145 8.145 7.966 0.179 17948 4359 1 10 . 1 1 15 15 GLU N N 15 122.145 122.145 123.537 -1.392 17948 4360 1 10 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.611 -0.351 17948 4361 1 10 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.819 -7.802 17948 4362 1 10 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.951 -0.610 17948 4363 1 10 . 1 1 15 15 GLU H H 15 8.223 8.223 8.387 -0.164 17948 4364 1 10 . 1 1 16 16 ALA N N 16 123.491 123.491 126.430 -2.939 17948 4365 1 10 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.278 0.006 17948 4366 1 10 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.388 0.112 17948 4367 1 10 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.416 -0.216 17948 4368 1 10 . 1 1 16 16 ALA H H 16 8.033 8.033 8.745 -0.712 17948 4369 1 10 . 1 1 17 17 LEU N N 17 120.066 120.066 119.059 1.007 17948 4370 1 10 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.029 0.305 17948 4371 1 10 . 1 1 17 17 LEU CA C 17 54.900 54.900 54.281 0.619 17948 4372 1 10 . 1 1 17 17 LEU CB C 17 42.300 42.300 41.764 0.536 17948 4373 1 10 . 1 1 17 17 LEU H H 17 7.901 7.901 7.855 0.046 17948 4374 1 10 . 1 1 18 18 LYS N N 18 122.658 122.658 119.230 3.428 17948 4375 1 10 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.200 0.080 17948 4376 1 10 . 1 1 18 18 LYS CA C 18 54.000 54.000 56.517 -2.517 17948 4377 1 10 . 1 1 18 18 LYS CB C 18 32.637 32.637 31.228 1.409 17948 4378 1 10 . 1 1 18 18 LYS H H 18 8.081 8.081 8.386 -0.305 17948 4379 1 10 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.327 0.100 17948 4380 1 10 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.546 -0.246 17948 4381 1 10 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.087 -0.187 17948 4382 1 10 . 1 1 20 20 ASP N N 20 119.912 119.912 119.547 0.365 17948 4383 1 10 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.466 0.105 17948 4384 1 10 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.316 0.184 17948 4385 1 10 . 1 1 20 20 ASP CB C 20 40.900 40.900 40.567 0.333 17948 4386 1 10 . 1 1 20 20 ASP H H 20 8.398 8.398 8.243 0.155 17948 4387 1 10 . 1 1 21 21 SER N N 21 115.552 115.552 118.254 -2.702 17948 4388 1 10 . 1 1 21 21 SER HA H 21 4.513 4.513 4.460 0.053 17948 4389 1 10 . 1 1 21 21 SER CA C 21 58.726 58.726 58.737 -0.011 17948 4390 1 10 . 1 1 21 21 SER CB C 21 63.709 63.709 63.864 -0.155 17948 4391 1 10 . 1 1 21 21 SER H H 21 8.113 8.113 8.151 -0.038 17948 4392 1 10 . 1 1 22 22 GLN N N 22 119.920 119.920 122.527 -2.607 17948 4393 1 10 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.229 0.051 17948 4394 1 10 . 1 1 22 22 GLN H H 22 8.224 8.224 8.142 0.082 17948 4395 1 10 . 1 1 23 23 LYS N N 23 121.734 121.734 122.073 -0.339 17948 4396 1 10 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.673 -0.393 17948 4397 1 10 . 1 1 23 23 LYS CA C 23 56.173 56.173 55.539 0.634 17948 4398 1 10 . 1 1 23 23 LYS CB C 23 30.593 30.593 34.776 -4.183 17948 4399 1 10 . 1 1 23 23 LYS H H 23 8.415 8.415 8.475 -0.060 17948 4400 1 10 . 1 1 24 24 SER N N 24 126.408 126.408 115.821 10.587 17948 4401 1 10 . 1 1 24 24 SER HA H 24 4.510 4.510 4.505 0.005 17948 4402 1 10 . 1 1 24 24 SER CA C 24 57.341 57.341 58.234 -0.894 17948 4403 1 10 . 1 1 24 24 SER CB C 24 63.800 63.800 63.298 0.502 17948 4404 1 10 . 1 1 24 24 SER H H 24 7.595 7.595 8.574 -0.979 17948 4405 1 10 . 1 1 25 25 TYR N N 25 120.790 120.790 123.143 -2.353 17948 4406 1 10 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.233 0.223 17948 4407 1 10 . 1 1 25 25 TYR CA C 25 59.736 59.736 57.942 1.794 17948 4408 1 10 . 1 1 25 25 TYR CB C 25 38.069 38.069 37.245 0.824 17948 4409 1 10 . 1 1 25 25 TYR H H 25 8.370 8.370 8.112 0.258 17948 4410 1 10 . 1 1 26 26 ALA N N 26 122.684 122.684 121.545 1.139 17948 4411 1 10 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.091 0.073 17948 4412 1 10 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.082 1.918 17948 4413 1 10 . 1 1 26 26 ALA CB C 26 18.900 18.900 18.625 0.275 17948 4414 1 10 . 1 1 26 26 ALA H H 26 8.405 8.405 7.901 0.504 17948 4415 1 10 . 1 1 27 27 GLU N N 27 118.504 118.504 122.173 -3.669 17948 4416 1 10 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.098 0.018 17948 4417 1 10 . 1 1 27 27 GLU CA C 27 58.000 58.000 57.182 0.818 17948 4418 1 10 . 1 1 27 27 GLU CB C 27 30.000 30.000 30.075 -0.075 17948 4419 1 10 . 1 1 27 27 GLU H H 27 7.988 7.988 8.798 -0.810 17948 4420 1 10 . 1 1 28 28 GLN N N 28 119.735 119.735 119.608 0.127 17948 4421 1 10 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.480 -0.256 17948 4422 1 10 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.078 2.522 17948 4423 1 10 . 1 1 28 28 GLN CB C 28 29.400 29.400 29.905 -0.505 17948 4424 1 10 . 1 1 28 28 GLN H H 28 8.282 8.282 7.729 0.553 17948 4425 1 10 . 1 1 29 29 GLY N N 29 108.734 108.734 108.521 0.213 17948 4426 1 10 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.873 1.527 17948 4427 1 10 . 1 1 29 29 GLY H H 29 8.645 8.645 8.444 0.201 17948 4428 1 10 . 1 1 30 30 LYS N N 30 120.800 120.800 120.860 -0.060 17948 4429 1 10 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.808 -0.528 17948 4430 1 10 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.961 2.031 17948 4431 1 10 . 1 1 30 30 LYS CB C 30 29.800 29.800 33.258 -3.458 17948 4432 1 10 . 1 1 30 30 LYS H H 30 8.140 8.140 8.196 -0.056 17948 4433 1 10 . 1 1 31 31 GLU N N 31 119.994 119.994 121.129 -1.135 17948 4434 1 10 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.725 -0.465 17948 4435 1 10 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.911 3.489 17948 4436 1 10 . 1 1 31 31 GLU CB C 31 32.521 32.521 31.372 1.149 17948 4437 1 10 . 1 1 31 31 GLU H H 31 8.039 8.039 8.720 -0.681 17948 4438 1 10 . 1 1 32 32 TYR N N 32 119.254 119.254 119.833 -0.579 17948 4439 1 10 . 1 1 32 32 TYR HA H 32 4.630 4.630 5.333 -0.703 17948 4440 1 10 . 1 1 32 32 TYR CA C 32 58.020 58.020 56.850 1.170 17948 4441 1 10 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.713 -0.553 17948 4442 1 10 . 1 1 32 32 TYR H H 32 7.994 7.994 8.662 -0.668 17948 4443 1 10 . 1 1 33 33 ILE N N 33 121.600 121.600 118.873 2.727 17948 4444 1 10 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.539 -0.515 17948 4445 1 10 . 1 1 33 33 ILE CA C 33 62.100 62.100 59.793 2.307 17948 4446 1 10 . 1 1 33 33 ILE CB C 33 38.300 38.300 41.308 -3.008 17948 4447 1 10 . 1 1 33 33 ILE H H 33 8.260 8.260 8.686 -0.426 17948 4448 1 10 . 1 1 34 34 THR N N 34 115.849 115.849 113.388 2.461 17948 4449 1 10 . 1 1 34 34 THR HA H 34 4.480 4.480 4.192 0.288 17948 4450 1 10 . 1 1 34 34 THR CA C 34 63.600 63.600 63.036 0.564 17948 4451 1 10 . 1 1 34 34 THR CB C 34 69.300 69.300 68.872 0.428 17948 4452 1 10 . 1 1 34 34 THR H H 34 8.082 8.082 8.202 -0.120 17948 4453 1 10 . 1 1 35 35 ASP N N 35 122.190 122.190 121.969 0.221 17948 4454 1 10 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.420 0.134 17948 4455 1 10 . 1 1 35 35 ASP CA C 35 55.400 55.400 55.010 0.390 17948 4456 1 10 . 1 1 35 35 ASP CB C 35 41.500 41.500 40.446 1.054 17948 4457 1 10 . 1 1 35 35 ASP H H 35 8.102 8.102 8.280 -0.178 17948 4458 1 10 . 1 1 36 36 LYS N N 36 119.451 119.451 120.954 -1.503 17948 4459 1 10 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.601 -0.391 17948 4460 1 10 . 1 1 36 36 LYS CA C 36 56.500 56.500 54.923 1.577 17948 4461 1 10 . 1 1 36 36 LYS CB C 36 32.500 32.500 31.154 1.346 17948 4462 1 10 . 1 1 36 36 LYS H H 36 7.983 7.983 8.417 -0.434 17948 4463 1 10 . 1 1 37 37 ALA N N 37 123.038 123.038 122.819 0.219 17948 4464 1 10 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.334 -0.153 17948 4465 1 10 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.949 0.651 17948 4466 1 10 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.665 -0.865 17948 4467 1 10 . 1 1 37 37 ALA H H 37 8.241 8.241 8.601 -0.360 17948 4468 1 10 . 1 1 38 38 ASP N N 38 118.323 118.323 115.157 3.166 17948 4469 1 10 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.162 0.342 17948 4470 1 10 . 1 1 38 38 ASP CA C 38 55.100 55.100 56.150 -1.050 17948 4471 1 10 . 1 1 38 38 ASP CB C 38 41.000 41.000 40.154 0.846 17948 4472 1 10 . 1 1 38 38 ASP H H 38 8.144 8.144 8.465 -0.321 17948 4473 1 10 . 1 1 39 39 LYS N N 39 120.011 120.011 118.495 1.516 17948 4474 1 10 . 1 1 39 39 LYS HA H 39 4.275 4.275 3.910 0.365 17948 4475 1 10 . 1 1 39 39 LYS CA C 39 56.900 56.900 58.323 -1.423 17948 4476 1 10 . 1 1 39 39 LYS CB C 39 32.754 32.754 31.854 0.900 17948 4477 1 10 . 1 1 39 39 LYS H H 39 7.960 7.960 8.368 -0.408 17948 4478 1 10 . 1 1 40 40 VAL N N 40 119.113 119.113 115.470 3.643 17948 4479 1 10 . 1 1 40 40 VAL HA H 40 4.044 4.044 3.673 0.371 17948 4480 1 10 . 1 1 40 40 VAL CA C 40 62.900 62.900 63.398 -0.498 17948 4481 1 10 . 1 1 40 40 VAL CB C 40 32.500 32.500 30.474 2.026 17948 4482 1 10 . 1 1 40 40 VAL H H 40 7.948 7.948 8.327 -0.379 17948 4483 1 10 . 1 1 41 41 ALA N N 41 125.220 125.220 121.346 3.874 17948 4484 1 10 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.458 -0.164 17948 4485 1 10 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.263 1.637 17948 4486 1 10 . 1 1 41 41 ALA CB C 41 19.100 19.100 20.567 -1.467 17948 4487 1 10 . 1 1 41 41 ALA H H 41 8.168 8.168 7.596 0.572 17948 4488 1 10 . 1 1 42 42 GLY N N 42 107.007 107.007 107.036 -0.029 17948 4489 1 10 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.516 -0.116 17948 4490 1 10 . 1 1 42 42 GLY H H 42 8.130 8.130 8.575 -0.445 17948 4491 1 10 . 1 1 43 43 LYS N N 43 122.310 122.310 118.822 3.488 17948 4492 1 10 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.112 0.259 17948 4493 1 10 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.592 -0.592 17948 4494 1 10 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.011 -0.011 17948 4495 1 10 . 1 1 43 43 LYS H H 43 8.253 8.253 7.896 0.357 17948 4496 1 10 . 1 1 44 44 VAL N N 44 120.734 120.734 120.628 0.106 17948 4497 1 10 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.276 -0.136 17948 4498 1 10 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.754 -0.754 17948 4499 1 10 . 1 1 44 44 VAL CB C 44 32.700 32.700 33.181 -0.480 17948 4500 1 10 . 1 1 44 44 VAL H H 44 8.026 8.026 8.343 -0.317 17948 4501 1 10 . 1 1 45 45 GLN N N 45 124.893 124.893 125.028 -0.135 17948 4502 1 10 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.589 -0.309 17948 4503 1 10 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.472 -1.072 17948 4504 1 10 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.229 -0.229 17948 4505 1 10 . 1 1 45 45 GLN H H 45 8.385 8.385 8.457 -0.072 17948 4506 1 10 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.455 -0.284 17948 4507 1 10 . 1 1 46 46 PRO CA C 46 61.800 61.800 62.684 -0.885 17948 4508 1 10 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.220 0.709 17948 4509 1 10 . 1 1 47 47 GLU N N 47 123.526 123.526 116.531 6.995 17948 4510 1 10 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.117 0.143 17948 4511 1 10 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.968 -0.768 17948 4512 1 10 . 1 1 47 47 GLU CB C 47 30.700 30.700 28.752 1.948 17948 4513 1 10 . 1 1 47 47 GLU H H 47 8.039 8.039 8.486 -0.447 17948 4514 1 10 . 1 1 48 48 ASP N N 48 122.131 122.131 122.725 -0.594 17948 4515 1 10 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.719 -0.121 17948 4516 1 10 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.400 1.930 17948 4517 1 10 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.544 -10.844 17948 4518 1 10 . 1 1 48 48 ASP H H 48 8.402 8.402 8.412 -0.010 17948 4519 1 10 . 1 1 49 49 ASN N N 49 121.154 121.154 116.986 4.168 17948 4520 1 10 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.939 -0.239 17948 4521 1 10 . 1 1 49 49 ASN CA C 49 51.600 51.600 52.586 -0.986 17948 4522 1 10 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.373 1.200 17948 4523 1 10 . 1 1 49 49 ASN H H 49 8.338 8.338 7.896 0.442 17948 4524 1 10 . 1 1 50 50 LYS N N 50 120.660 120.660 119.634 1.026 17948 4525 1 10 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.439 -0.140 17948 4526 1 10 . 1 1 50 50 LYS H H 50 8.247 8.247 8.562 -0.315 17948 4527 1 10 . 1 1 51 51 GLY N N 51 108.915 108.915 110.960 -2.045 17948 4528 1 10 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.754 0.646 17948 4529 1 10 . 1 1 51 51 GLY H H 51 8.320 8.320 7.933 0.387 17948 4530 1 10 . 1 1 52 52 VAL N N 52 118.906 118.906 122.323 -3.417 17948 4531 1 10 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.395 -0.349 17948 4532 1 10 . 1 1 52 52 VAL CA C 52 62.400 62.400 62.532 -0.132 17948 4533 1 10 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.769 -0.269 17948 4534 1 10 . 1 1 52 52 VAL H H 52 7.836 7.836 8.449 -0.613 17948 4535 1 10 . 1 1 53 53 PHE N N 53 123.002 123.002 125.690 -2.688 17948 4536 1 10 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.748 -0.100 17948 4537 1 10 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.601 -0.001 17948 4538 1 10 . 1 1 53 53 PHE CB C 53 39.400 39.400 39.849 -0.449 17948 4539 1 10 . 1 1 53 53 PHE H H 53 8.284 8.284 7.803 0.481 17948 4540 1 10 . 1 1 54 54 GLN N N 54 122.278 122.278 120.259 2.019 17948 4541 1 10 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.339 -0.026 17948 4542 1 10 . 1 1 54 54 GLN CA C 54 55.800 55.800 56.270 -0.470 17948 4543 1 10 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.087 0.413 17948 4544 1 10 . 1 1 54 54 GLN H H 54 8.223 8.223 8.930 -0.707 17948 4545 1 10 . 1 1 55 55 GLY N N 55 109.285 109.285 106.643 2.642 17948 4546 1 10 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.351 0.849 17948 4547 1 10 . 1 1 55 55 GLY H H 55 7.900 7.900 8.022 -0.122 17948 4548 1 10 . 1 1 56 56 VAL H H 56 7.898 7.898 7.875 0.023 17948 4549 1 10 . 1 1 57 57 HIS N N 57 120.411 120.411 122.858 -2.447 17948 4550 1 10 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.967 -0.718 17948 4551 1 10 . 1 1 57 57 HIS H H 57 8.529 8.529 8.319 0.210 17948 4552 1 10 . 1 1 58 58 ASP N N 58 120.960 120.960 117.695 3.265 17948 4553 1 10 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.861 -0.251 17948 4554 1 10 . 1 1 58 58 ASP H H 58 8.234 8.234 8.378 -0.144 17948 4555 1 10 . 1 1 59 59 SER N N 59 116.391 116.391 116.785 -0.394 17948 4556 1 10 . 1 1 59 59 SER HA H 59 4.398 4.398 4.474 -0.076 17948 4557 1 10 . 1 1 59 59 SER CA C 59 58.500 58.500 58.709 -0.209 17948 4558 1 10 . 1 1 59 59 SER CB C 59 63.700 63.700 64.635 -0.935 17948 4559 1 10 . 1 1 59 59 SER H H 59 8.248 8.248 8.267 -0.019 17948 4560 1 10 . 1 1 60 60 ALA N N 60 125.620 125.620 124.888 0.732 17948 4561 1 10 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.154 0.154 17948 4562 1 10 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.936 -0.136 17948 4563 1 10 . 1 1 60 60 ALA CB C 60 19.161 19.161 18.395 0.766 17948 4564 1 10 . 1 1 60 60 ALA H H 60 8.290 8.290 8.160 0.130 17948 4565 1 10 . 1 1 61 61 GLU N N 61 119.550 119.550 123.009 -3.459 17948 4566 1 10 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.574 -0.323 17948 4567 1 10 . 1 1 61 61 GLU CA C 61 56.600 56.600 55.772 0.828 17948 4568 1 10 . 1 1 61 61 GLU CB C 61 30.100 30.100 33.124 -3.024 17948 4569 1 10 . 1 1 61 61 GLU H H 61 8.206 8.206 8.571 -0.365 17948 4570 1 10 . 1 1 62 62 LYS N N 62 122.003 122.003 123.382 -1.379 17948 4571 1 10 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.611 -0.311 17948 4572 1 10 . 1 1 62 62 LYS CA C 62 56.800 56.800 55.852 0.948 17948 4573 1 10 . 1 1 62 62 LYS CB C 62 32.900 32.900 34.869 -1.969 17948 4574 1 10 . 1 1 62 62 LYS H H 62 8.157 8.157 8.536 -0.379 17948 4575 1 10 . 1 1 63 63 GLY N N 63 109.728 109.728 113.174 -3.446 17948 4576 1 10 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.547 -0.247 17948 4577 1 10 . 1 1 63 63 GLY H H 63 8.371 8.371 8.566 -0.195 17948 4578 1 10 . 1 1 64 64 LYS N N 64 120.537 120.537 120.280 0.257 17948 4579 1 10 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.336 0.004 17948 4580 1 10 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.865 -0.665 17948 4581 1 10 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.541 -0.541 17948 4582 1 10 . 1 1 64 64 LYS H H 64 8.078 8.078 8.327 -0.249 17948 4583 1 10 . 1 1 65 65 ASP N N 65 120.981 120.981 116.507 4.474 17948 4584 1 10 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.568 0.022 17948 4585 1 10 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.831 0.469 17948 4586 1 10 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.688 -0.488 17948 4587 1 10 . 1 1 65 65 ASP H H 65 8.336 8.336 7.963 0.373 17948 4588 1 10 . 1 1 66 66 ASN N N 66 119.056 119.056 117.116 1.940 17948 4589 1 10 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.733 -0.042 17948 4590 1 10 . 1 1 66 66 ASN CA C 66 53.200 53.200 52.797 0.403 17948 4591 1 10 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.488 -0.488 17948 4592 1 10 . 1 1 66 66 ASN H H 66 8.280 8.280 7.901 0.379 17948 4593 1 10 . 1 1 67 67 ALA N N 67 124.164 124.164 122.928 1.236 17948 4594 1 10 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.528 -0.215 17948 4595 1 10 . 1 1 67 67 ALA CA C 67 52.724 52.724 53.109 -0.385 17948 4596 1 10 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.700 -0.529 17948 4597 1 10 . 1 1 67 67 ALA H H 67 8.248 8.248 8.555 -0.307 17948 4598 1 10 . 1 1 68 68 GLU N N 68 119.599 119.599 117.031 2.568 17948 4599 1 10 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.300 -0.018 17948 4600 1 10 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.427 0.385 17948 4601 1 10 . 1 1 68 68 GLU CB C 68 30.126 30.126 29.997 0.129 17948 4602 1 10 . 1 1 68 68 GLU H H 68 8.295 8.295 8.730 -0.435 17948 4603 1 10 . 1 1 69 69 GLY N N 69 109.616 109.616 109.786 -0.170 17948 4604 1 10 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.828 0.612 17948 4605 1 10 . 1 1 69 69 GLY H H 69 8.348 8.348 8.004 0.344 17948 4606 1 10 . 1 1 70 70 GLN N N 70 119.476 119.476 118.331 1.145 17948 4607 1 10 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.472 -0.084 17948 4608 1 10 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.485 0.375 17948 4609 1 10 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.625 -0.125 17948 4610 1 10 . 1 1 70 70 GLN H H 70 8.200 8.200 8.421 -0.221 17948 4611 1 10 . 1 1 71 71 GLY N N 71 109.928 109.928 107.183 2.745 17948 4612 1 10 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.617 -0.257 17948 4613 1 10 . 1 1 71 71 GLY H H 71 8.438 8.438 8.371 0.067 17948 4614 1 10 . 1 1 72 72 GLU N N 72 120.438 120.438 119.128 1.310 17948 4615 1 10 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.417 -0.019 17948 4616 1 10 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.175 0.225 17948 4617 1 10 . 1 1 72 72 GLU CB C 72 30.700 30.700 31.220 -0.520 17948 4618 1 10 . 1 1 72 72 GLU H H 72 8.296 8.296 7.857 0.439 17948 4619 1 10 . 1 1 73 73 SER N N 73 117.699 117.699 114.357 3.342 17948 4620 1 10 . 1 1 73 73 SER HA H 73 4.601 4.601 4.246 0.355 17948 4621 1 10 . 1 1 73 73 SER CA C 73 58.011 58.011 58.753 -0.742 17948 4622 1 10 . 1 1 73 73 SER CB C 73 64.816 64.816 63.293 1.523 17948 4623 1 10 . 1 1 73 73 SER H H 73 8.666 8.666 8.448 0.218 17948 4624 1 10 . 1 1 74 74 LEU N N 74 125.422 125.422 122.731 2.691 17948 4625 1 10 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.109 0.132 17948 4626 1 10 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.987 0.736 17948 4627 1 10 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.236 0.919 17948 4628 1 10 . 1 1 74 74 LEU H H 74 8.899 8.899 8.697 0.202 17948 4629 1 10 . 1 1 75 75 ALA N N 75 120.685 120.685 122.236 -1.551 17948 4630 1 10 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.890 0.131 17948 4631 1 10 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.722 0.078 17948 4632 1 10 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.097 0.503 17948 4633 1 10 . 1 1 75 75 ALA H H 75 8.389 8.389 8.089 0.300 17948 4634 1 10 . 1 1 76 76 ASP N N 76 117.754 117.754 118.537 -0.783 17948 4635 1 10 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.295 0.139 17948 4636 1 10 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.368 -0.668 17948 4637 1 10 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.650 0.033 17948 4638 1 10 . 1 1 76 76 ASP H H 76 7.777 7.777 7.903 -0.126 17948 4639 1 10 . 1 1 77 77 GLN N N 77 119.402 119.402 117.918 1.484 17948 4640 1 10 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.025 0.196 17948 4641 1 10 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.503 -0.659 17948 4642 1 10 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.487 1.115 17948 4643 1 10 . 1 1 77 77 GLN H H 77 8.038 8.038 7.854 0.184 17948 4644 1 10 . 1 1 78 78 ALA N N 78 121.376 121.376 122.416 -1.040 17948 4645 1 10 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.153 0.018 17948 4646 1 10 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.635 -0.085 17948 4647 1 10 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.277 0.577 17948 4648 1 10 . 1 1 78 78 ALA H H 78 8.427 8.427 7.710 0.717 17948 4649 1 10 . 1 1 79 79 ARG N N 79 117.905 117.905 119.046 -1.141 17948 4650 1 10 . 1 1 79 79 ARG HA H 79 4.018 4.018 3.983 0.035 17948 4651 1 10 . 1 1 79 79 ARG CA C 79 59.293 59.293 59.597 -0.304 17948 4652 1 10 . 1 1 79 79 ARG CB C 79 30.159 30.159 30.195 -0.036 17948 4653 1 10 . 1 1 79 79 ARG H H 79 8.031 8.031 8.030 0.001 17948 4654 1 10 . 1 1 80 80 ASP N N 80 120.290 120.290 119.652 0.638 17948 4655 1 10 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.453 0.108 17948 4656 1 10 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.649 -1.373 17948 4657 1 10 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.929 -0.430 17948 4658 1 10 . 1 1 80 80 ASP H H 80 8.126 8.126 8.099 0.027 17948 4659 1 10 . 1 1 81 81 TYR N N 81 120.191 120.191 120.099 0.092 17948 4660 1 10 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.309 0.031 17948 4661 1 10 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.727 0.392 17948 4662 1 10 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.687 -0.187 17948 4663 1 10 . 1 1 81 81 TYR H H 81 8.250 8.250 7.603 0.647 17948 4664 1 10 . 1 1 82 82 MET N N 82 117.996 117.996 118.900 -0.904 17948 4665 1 10 . 1 1 82 82 MET HA H 82 4.222 4.222 3.967 0.255 17948 4666 1 10 . 1 1 82 82 MET CA C 82 58.618 58.618 59.744 -1.126 17948 4667 1 10 . 1 1 82 82 MET CB C 82 32.875 32.875 32.281 0.594 17948 4668 1 10 . 1 1 82 82 MET H H 82 8.354 8.354 8.499 -0.145 17948 4669 1 10 . 1 1 83 83 GLY N N 83 106.902 106.902 104.639 2.263 17948 4670 1 10 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.191 0.009 17948 4671 1 10 . 1 1 83 83 GLY H H 83 8.365 8.365 7.829 0.536 17948 4672 1 10 . 1 1 84 84 ALA N N 84 124.830 124.830 123.261 1.569 17948 4673 1 10 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.273 0.045 17948 4674 1 10 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.847 0.431 17948 4675 1 10 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.184 0.385 17948 4676 1 10 . 1 1 84 84 ALA H H 84 7.950 7.950 7.260 0.690 17948 4677 1 10 . 1 1 85 85 ALA N N 85 120.542 120.542 121.270 -0.728 17948 4678 1 10 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.891 0.146 17948 4679 1 10 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.825 0.154 17948 4680 1 10 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.150 0.350 17948 4681 1 10 . 1 1 85 85 ALA H H 85 8.274 8.274 8.091 0.183 17948 4682 1 10 . 1 1 86 86 LYS N N 86 116.920 116.920 119.125 -2.205 17948 4683 1 10 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.945 -0.058 17948 4684 1 10 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.644 0.416 17948 4685 1 10 . 1 1 86 86 LYS CB C 86 32.300 32.300 32.243 0.057 17948 4686 1 10 . 1 1 86 86 LYS H H 86 8.265 8.265 7.624 0.641 17948 4687 1 10 . 1 1 87 87 SER N N 87 113.664 113.664 115.056 -1.392 17948 4688 1 10 . 1 1 87 87 SER HA H 87 4.312 4.312 4.126 0.186 17948 4689 1 10 . 1 1 87 87 SER CA C 87 61.330 61.330 61.117 0.213 17948 4690 1 10 . 1 1 87 87 SER CB C 87 62.900 62.900 62.931 -0.031 17948 4691 1 10 . 1 1 87 87 SER H H 87 7.926 7.926 7.728 0.198 17948 4692 1 10 . 1 1 88 88 LYS N N 88 120.310 120.310 121.460 -1.150 17948 4693 1 10 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.051 0.335 17948 4694 1 10 . 1 1 88 88 LYS CA C 88 57.344 57.344 58.999 -1.655 17948 4695 1 10 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.277 -0.477 17948 4696 1 10 . 1 1 88 88 LYS H H 88 7.859 7.859 7.607 0.252 17948 4697 1 10 . 1 1 89 89 LEU N N 89 119.648 119.648 121.401 -1.753 17948 4698 1 10 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.961 0.140 17948 4699 1 10 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.836 0.231 17948 4700 1 10 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.902 0.598 17948 4701 1 10 . 1 1 89 89 LEU H H 89 8.158 8.158 7.831 0.327 17948 4702 1 10 . 1 1 90 90 ASN N N 90 117.422 117.422 117.387 0.035 17948 4703 1 10 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.411 -0.013 17948 4704 1 10 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.163 0.895 17948 4705 1 10 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.029 0.471 17948 4706 1 10 . 1 1 90 90 ASN H H 90 8.240 8.240 7.992 0.248 17948 4707 1 10 . 1 1 91 91 ASP N N 91 119.945 119.945 118.234 1.711 17948 4708 1 10 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.412 0.029 17948 4709 1 10 . 1 1 91 91 ASP CA C 91 57.344 57.344 58.000 -0.656 17948 4710 1 10 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.628 -0.328 17948 4711 1 10 . 1 1 91 91 ASP H H 91 8.111 8.111 7.593 0.518 17948 4712 1 10 . 1 1 92 92 ALA N N 92 123.226 123.226 121.925 1.301 17948 4713 1 10 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.165 0.009 17948 4714 1 10 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.824 0.549 17948 4715 1 10 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.381 -0.081 17948 4716 1 10 . 1 1 92 92 ALA H H 92 8.240 8.240 7.437 0.803 17948 4717 1 10 . 1 1 93 93 VAL N N 93 117.940 117.940 119.564 -1.624 17948 4718 1 10 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.542 0.057 17948 4719 1 10 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.617 -0.724 17948 4720 1 10 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.220 0.393 17948 4721 1 10 . 1 1 93 93 VAL H H 93 8.410 8.410 8.145 0.265 17948 4722 1 10 . 1 1 94 94 GLU N N 94 120.610 120.610 119.249 1.361 17948 4723 1 10 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.932 0.118 17948 4724 1 10 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.765 -0.165 17948 4725 1 10 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.677 -0.077 17948 4726 1 10 . 1 1 94 94 GLU H H 94 8.289 8.289 7.877 0.412 17948 4727 1 10 . 1 1 95 95 TYR N N 95 120.241 120.241 119.055 1.186 17948 4728 1 10 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.225 0.045 17948 4729 1 10 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.943 -0.643 17948 4730 1 10 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.649 0.051 17948 4731 1 10 . 1 1 95 95 TYR H H 95 8.186 8.186 7.424 0.762 17948 4732 1 10 . 1 1 96 96 VAL N N 96 116.942 116.942 118.507 -1.565 17948 4733 1 10 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.600 -0.054 17948 4734 1 10 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.256 -0.186 17948 4735 1 10 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.460 0.285 17948 4736 1 10 . 1 1 96 96 VAL H H 96 8.394 8.394 8.182 0.212 17948 4737 1 10 . 1 1 97 97 SER N N 97 113.924 113.924 115.243 -1.319 17948 4738 1 10 . 1 1 97 97 SER HA H 97 4.145 4.145 4.239 -0.094 17948 4739 1 10 . 1 1 97 97 SER CA C 97 61.393 61.393 61.973 -0.580 17948 4740 1 10 . 1 1 97 97 SER CB C 97 63.415 63.415 62.821 0.594 17948 4741 1 10 . 1 1 97 97 SER H H 97 8.433 8.433 8.663 -0.230 17948 4742 1 10 . 1 1 98 98 GLY N N 98 107.509 107.509 108.423 -0.914 17948 4743 1 10 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.201 0.097 17948 4744 1 10 . 1 1 98 98 GLY H H 98 7.899 7.899 7.640 0.259 17948 4745 1 10 . 1 1 99 99 ARG N N 99 119.471 119.471 119.675 -0.204 17948 4746 1 10 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.232 0.036 17948 4747 1 10 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.884 -0.357 17948 4748 1 10 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.294 0.006 17948 4749 1 10 . 1 1 99 99 ARG H H 99 7.696 7.696 7.661 0.035 17948 4750 1 10 . 1 1 100 100 VAL N N 100 117.316 117.316 118.062 -0.746 17948 4751 1 10 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.791 0.169 17948 4752 1 10 . 1 1 100 100 VAL CA C 100 63.400 63.400 63.861 -0.461 17948 4753 1 10 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.988 0.332 17948 4754 1 10 . 1 1 100 100 VAL H H 100 7.906 7.906 7.312 0.594 17948 4755 1 10 . 1 1 101 101 HIS N N 101 119.155 119.155 119.473 -0.318 17948 4756 1 10 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.293 0.408 17948 4757 1 10 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.091 -0.891 17948 4758 1 10 . 1 1 101 101 HIS CB C 101 30.048 30.048 28.910 1.138 17948 4759 1 10 . 1 1 101 101 HIS H H 101 8.130 8.130 7.583 0.547 17948 4760 1 10 . 1 1 102 102 GLY N N 102 109.145 109.145 113.428 -4.283 17948 4761 1 10 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.008 0.325 17948 4762 1 10 . 1 1 102 102 GLY H H 102 8.086 8.086 8.561 -0.475 17948 4763 1 10 . 1 1 103 103 GLU N N 103 119.345 119.345 118.793 0.552 17948 4764 1 10 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.414 -0.084 17948 4765 1 10 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.103 6.197 17948 4766 1 10 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.999 0.755 17948 4767 1 10 . 1 1 103 103 GLU H H 103 7.932 7.932 8.164 -0.232 17948 4768 1 10 . 1 1 104 104 GLU N N 104 122.105 122.105 121.013 1.092 17948 4769 1 10 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.646 -0.374 17948 4770 1 10 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.007 0.225 17948 4771 1 10 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.075 -0.575 17948 4772 1 10 . 1 1 104 104 GLU H H 104 8.325 8.325 8.507 -0.182 17948 4773 1 10 . 1 1 105 105 ASP N N 105 124.188 124.188 123.640 0.548 17948 4774 1 10 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.784 -0.174 17948 4775 1 10 . 1 1 105 105 ASP CA C 105 54.520 54.520 52.933 1.587 17948 4776 1 10 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.743 -1.043 17948 4777 1 10 . 1 1 105 105 ASP H H 105 8.077 8.077 8.308 -0.231 17948 4778 1 10 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.529 -0.045 17948 4779 1 10 . 1 1 106 106 PRO CA C 106 63.824 63.824 64.336 -0.512 17948 4780 1 10 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.380 -0.180 17948 4781 1 10 . 1 1 107 107 THR N N 107 111.950 111.950 113.015 -1.065 17948 4782 1 10 . 1 1 107 107 THR HA H 107 4.273 4.273 3.967 0.306 17948 4783 1 10 . 1 1 107 107 THR CA C 107 62.700 62.700 63.467 -0.767 17948 4784 1 10 . 1 1 107 107 THR CB C 107 69.400 69.400 68.888 0.512 17948 4785 1 10 . 1 1 107 107 THR H H 107 8.339 8.339 7.819 0.520 17948 4786 1 10 . 1 1 108 108 LYS N N 108 123.349 123.349 119.001 4.348 17948 4787 1 10 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.036 0.321 17948 4788 1 10 . 1 1 108 108 LYS CA C 108 56.000 56.000 57.265 -1.265 17948 4789 1 10 . 1 1 108 108 LYS CB C 108 32.800 32.800 31.664 1.136 17948 4790 1 10 . 1 1 108 108 LYS H H 108 7.727 7.727 8.691 -0.964 17948 4791 1 11 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.251 0.359 17948 4792 1 11 . 1 1 3 3 ASP H H 3 8.330 8.330 8.624 -0.294 17948 4793 1 11 . 1 1 4 4 ALA N N 4 124.218 124.218 123.743 0.475 17948 4794 1 11 . 1 1 4 4 ALA HA H 4 4.260 4.260 3.990 0.270 17948 4795 1 11 . 1 1 4 4 ALA CA C 4 53.000 53.000 53.016 -0.016 17948 4796 1 11 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.119 -0.154 17948 4797 1 11 . 1 1 4 4 ALA H H 4 8.180 8.180 8.080 0.100 17948 4798 1 11 . 1 1 5 5 GLY N N 5 107.349 107.349 107.588 -0.239 17948 4799 1 11 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.461 -0.361 17948 4800 1 11 . 1 1 5 5 GLY H H 5 8.344 8.344 9.254 -0.910 17948 4801 1 11 . 1 1 6 6 ARG N N 6 119.351 119.351 119.973 -0.622 17948 4802 1 11 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.903 -0.633 17948 4803 1 11 . 1 1 6 6 ARG H H 6 7.971 7.971 8.785 -0.814 17948 4804 1 11 . 1 1 7 7 LYS N N 7 122.700 122.700 120.007 2.693 17948 4805 1 11 . 1 1 7 7 LYS HA H 7 4.280 4.280 5.117 -0.837 17948 4806 1 11 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.658 0.742 17948 4807 1 11 . 1 1 7 7 LYS CB C 7 32.900 32.900 35.230 -2.330 17948 4808 1 11 . 1 1 7 7 LYS H H 7 8.034 8.034 8.854 -0.820 17948 4809 1 11 . 1 1 8 8 GLY H H 8 8.340 8.340 8.615 -0.275 17948 4810 1 11 . 1 1 9 9 PHE N N 9 122.017 122.017 120.124 1.893 17948 4811 1 11 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.306 -0.686 17948 4812 1 11 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.599 -2.599 17948 4813 1 11 . 1 1 9 9 PHE CB C 9 39.950 39.950 41.346 -1.396 17948 4814 1 11 . 1 1 9 9 PHE H H 9 8.093 8.093 9.743 -1.650 17948 4815 1 11 . 1 1 10 10 GLY N N 10 120.389 120.389 111.220 9.169 17948 4816 1 11 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.407 1.147 17948 4817 1 11 . 1 1 10 10 GLY H H 10 7.996 7.996 8.187 -0.191 17948 4818 1 11 . 1 1 11 11 GLU N N 11 120.847 120.847 120.235 0.612 17948 4819 1 11 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.702 -0.442 17948 4820 1 11 . 1 1 11 11 GLU CA C 11 57.061 57.061 55.625 1.436 17948 4821 1 11 . 1 1 11 11 GLU CB C 11 30.200 30.200 32.128 -1.928 17948 4822 1 11 . 1 1 11 11 GLU H H 11 8.168 8.168 8.503 -0.335 17948 4823 1 11 . 1 1 12 12 LYS N N 12 121.524 121.524 122.584 -1.060 17948 4824 1 11 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.490 -0.210 17948 4825 1 11 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.242 0.310 17948 4826 1 11 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.632 -0.832 17948 4827 1 11 . 1 1 12 12 LYS H H 12 8.273 8.273 8.354 -0.081 17948 4828 1 11 . 1 1 13 13 ALA N N 13 124.765 124.765 126.766 -2.001 17948 4829 1 11 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.804 -0.544 17948 4830 1 11 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.843 1.212 17948 4831 1 11 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.758 -0.858 17948 4832 1 11 . 1 1 13 13 ALA H H 13 8.288 8.288 8.432 -0.144 17948 4833 1 11 . 1 1 14 14 SER N N 14 114.047 114.047 115.629 -1.582 17948 4834 1 11 . 1 1 14 14 SER HA H 14 4.342 4.342 4.546 -0.204 17948 4835 1 11 . 1 1 14 14 SER CA C 14 58.918 58.918 57.724 1.194 17948 4836 1 11 . 1 1 14 14 SER CB C 14 63.539 63.539 64.559 -1.020 17948 4837 1 11 . 1 1 14 14 SER H H 14 8.145 8.145 8.337 -0.192 17948 4838 1 11 . 1 1 15 15 GLU N N 15 122.145 122.145 119.981 2.164 17948 4839 1 11 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.122 0.138 17948 4840 1 11 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.859 -8.842 17948 4841 1 11 . 1 1 15 15 GLU CB C 15 30.341 30.341 28.366 1.975 17948 4842 1 11 . 1 1 15 15 GLU H H 15 8.223 8.223 8.500 -0.277 17948 4843 1 11 . 1 1 16 16 ALA N N 16 123.491 123.491 124.432 -0.941 17948 4844 1 11 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.435 -0.151 17948 4845 1 11 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.911 0.589 17948 4846 1 11 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.157 0.043 17948 4847 1 11 . 1 1 16 16 ALA H H 16 8.033 8.033 8.256 -0.223 17948 4848 1 11 . 1 1 17 17 LEU N N 17 120.066 120.066 120.210 -0.144 17948 4849 1 11 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.715 -0.381 17948 4850 1 11 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.098 -0.198 17948 4851 1 11 . 1 1 17 17 LEU CB C 17 42.300 42.300 44.431 -2.131 17948 4852 1 11 . 1 1 17 17 LEU H H 17 7.901 7.901 7.678 0.223 17948 4853 1 11 . 1 1 18 18 LYS N N 18 122.658 122.658 122.631 0.027 17948 4854 1 11 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.536 -0.256 17948 4855 1 11 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.726 -1.726 17948 4856 1 11 . 1 1 18 18 LYS CB C 18 32.637 32.637 32.660 -0.023 17948 4857 1 11 . 1 1 18 18 LYS H H 18 8.081 8.081 8.390 -0.309 17948 4858 1 11 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.757 -0.330 17948 4859 1 11 . 1 1 19 19 PRO CA C 19 63.300 63.300 62.932 0.367 17948 4860 1 11 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.573 -0.673 17948 4861 1 11 . 1 1 20 20 ASP N N 20 119.912 119.912 118.416 1.496 17948 4862 1 11 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.985 -0.414 17948 4863 1 11 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.675 0.825 17948 4864 1 11 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.736 -0.836 17948 4865 1 11 . 1 1 20 20 ASP H H 20 8.398 8.398 8.704 -0.306 17948 4866 1 11 . 1 1 21 21 SER N N 21 115.552 115.552 118.351 -2.799 17948 4867 1 11 . 1 1 21 21 SER HA H 21 4.513 4.513 5.029 -0.516 17948 4868 1 11 . 1 1 21 21 SER CA C 21 58.726 58.726 57.390 1.336 17948 4869 1 11 . 1 1 21 21 SER CB C 21 63.709 63.709 65.956 -2.247 17948 4870 1 11 . 1 1 21 21 SER H H 21 8.113 8.113 8.324 -0.211 17948 4871 1 11 . 1 1 22 22 GLN N N 22 119.920 119.920 121.008 -1.088 17948 4872 1 11 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.788 -0.508 17948 4873 1 11 . 1 1 22 22 GLN H H 22 8.224 8.224 8.586 -0.362 17948 4874 1 11 . 1 1 23 23 LYS N N 23 121.734 121.734 122.688 -0.954 17948 4875 1 11 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.850 -0.570 17948 4876 1 11 . 1 1 23 23 LYS CA C 23 56.173 56.173 55.754 0.419 17948 4877 1 11 . 1 1 23 23 LYS CB C 23 30.593 30.593 34.681 -4.088 17948 4878 1 11 . 1 1 23 23 LYS H H 23 8.415 8.415 8.879 -0.464 17948 4879 1 11 . 1 1 24 24 SER N N 24 126.408 126.408 116.534 9.874 17948 4880 1 11 . 1 1 24 24 SER HA H 24 4.510 4.510 5.064 -0.554 17948 4881 1 11 . 1 1 24 24 SER CA C 24 57.341 57.341 58.263 -0.922 17948 4882 1 11 . 1 1 24 24 SER CB C 24 63.800 63.800 64.650 -0.850 17948 4883 1 11 . 1 1 24 24 SER H H 24 7.595 7.595 8.721 -1.126 17948 4884 1 11 . 1 1 25 25 TYR N N 25 120.790 120.790 120.402 0.388 17948 4885 1 11 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.989 -0.533 17948 4886 1 11 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.056 1.680 17948 4887 1 11 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.756 -1.687 17948 4888 1 11 . 1 1 25 25 TYR H H 25 8.370 8.370 8.850 -0.480 17948 4889 1 11 . 1 1 26 26 ALA N N 26 122.684 122.684 124.795 -2.111 17948 4890 1 11 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.944 -0.780 17948 4891 1 11 . 1 1 26 26 ALA CA C 26 54.000 54.000 51.639 2.361 17948 4892 1 11 . 1 1 26 26 ALA CB C 26 18.900 18.900 21.644 -2.744 17948 4893 1 11 . 1 1 26 26 ALA H H 26 8.405 8.405 8.210 0.195 17948 4894 1 11 . 1 1 27 27 GLU N N 27 118.504 118.504 119.157 -0.653 17948 4895 1 11 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.351 -0.235 17948 4896 1 11 . 1 1 27 27 GLU CA C 27 58.000 58.000 58.453 -0.453 17948 4897 1 11 . 1 1 27 27 GLU CB C 27 30.000 30.000 30.332 -0.332 17948 4898 1 11 . 1 1 27 27 GLU H H 27 7.988 7.988 9.000 -1.012 17948 4899 1 11 . 1 1 28 28 GLN N N 28 119.735 119.735 116.569 3.166 17948 4900 1 11 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.440 -0.216 17948 4901 1 11 . 1 1 28 28 GLN CA C 28 57.600 57.600 56.562 1.038 17948 4902 1 11 . 1 1 28 28 GLN CB C 28 29.400 29.400 31.168 -1.768 17948 4903 1 11 . 1 1 28 28 GLN H H 28 8.282 8.282 8.434 -0.152 17948 4904 1 11 . 1 1 29 29 GLY N N 29 108.734 108.734 109.489 -0.755 17948 4905 1 11 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.087 1.313 17948 4906 1 11 . 1 1 29 29 GLY H H 29 8.645 8.645 8.485 0.160 17948 4907 1 11 . 1 1 30 30 LYS N N 30 120.800 120.800 119.492 1.308 17948 4908 1 11 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.992 -0.712 17948 4909 1 11 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.620 2.372 17948 4910 1 11 . 1 1 30 30 LYS CB C 30 29.800 29.800 35.323 -5.523 17948 4911 1 11 . 1 1 30 30 LYS H H 30 8.140 8.140 8.867 -0.727 17948 4912 1 11 . 1 1 31 31 GLU N N 31 119.994 119.994 119.493 0.501 17948 4913 1 11 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.905 -0.645 17948 4914 1 11 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.564 3.836 17948 4915 1 11 . 1 1 31 31 GLU CB C 31 32.521 32.521 32.742 -0.221 17948 4916 1 11 . 1 1 31 31 GLU H H 31 8.039 8.039 8.859 -0.820 17948 4917 1 11 . 1 1 32 32 TYR N N 32 119.254 119.254 119.752 -0.498 17948 4918 1 11 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.662 -0.032 17948 4919 1 11 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.832 0.188 17948 4920 1 11 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.810 -0.650 17948 4921 1 11 . 1 1 32 32 TYR H H 32 7.994 7.994 8.384 -0.390 17948 4922 1 11 . 1 1 33 33 ILE N N 33 121.600 121.600 126.075 -4.475 17948 4923 1 11 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.518 -0.494 17948 4924 1 11 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.239 0.861 17948 4925 1 11 . 1 1 33 33 ILE CB C 33 38.300 38.300 39.882 -1.582 17948 4926 1 11 . 1 1 33 33 ILE H H 33 8.260 8.260 8.212 0.048 17948 4927 1 11 . 1 1 34 34 THR N N 34 115.849 115.849 118.519 -2.670 17948 4928 1 11 . 1 1 34 34 THR HA H 34 4.480 4.480 4.571 -0.091 17948 4929 1 11 . 1 1 34 34 THR CA C 34 63.600 63.600 61.944 1.656 17948 4930 1 11 . 1 1 34 34 THR CB C 34 69.300 69.300 70.354 -1.054 17948 4931 1 11 . 1 1 34 34 THR H H 34 8.082 8.082 8.399 -0.317 17948 4932 1 11 . 1 1 35 35 ASP N N 35 122.190 122.190 123.814 -1.624 17948 4933 1 11 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.773 -0.219 17948 4934 1 11 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.920 1.480 17948 4935 1 11 . 1 1 35 35 ASP CB C 35 41.500 41.500 42.459 -0.959 17948 4936 1 11 . 1 1 35 35 ASP H H 35 8.102 8.102 8.351 -0.249 17948 4937 1 11 . 1 1 36 36 LYS N N 36 119.451 119.451 123.294 -3.843 17948 4938 1 11 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.497 -0.287 17948 4939 1 11 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.926 0.574 17948 4940 1 11 . 1 1 36 36 LYS CB C 36 32.500 32.500 32.718 -0.218 17948 4941 1 11 . 1 1 36 36 LYS H H 36 7.983 7.983 8.505 -0.522 17948 4942 1 11 . 1 1 37 37 ALA N N 37 123.038 123.038 124.338 -1.300 17948 4943 1 11 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.296 -0.115 17948 4944 1 11 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.501 1.099 17948 4945 1 11 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.860 -1.060 17948 4946 1 11 . 1 1 37 37 ALA H H 37 8.241 8.241 8.199 0.042 17948 4947 1 11 . 1 1 38 38 ASP N N 38 118.323 118.323 117.104 1.219 17948 4948 1 11 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.537 -0.033 17948 4949 1 11 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.553 0.547 17948 4950 1 11 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.482 -0.482 17948 4951 1 11 . 1 1 38 38 ASP H H 38 8.144 8.144 8.424 -0.280 17948 4952 1 11 . 1 1 39 39 LYS N N 39 120.011 120.011 120.158 -0.147 17948 4953 1 11 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.210 0.065 17948 4954 1 11 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.542 0.358 17948 4955 1 11 . 1 1 39 39 LYS CB C 39 32.754 32.754 32.353 0.401 17948 4956 1 11 . 1 1 39 39 LYS H H 39 7.960 7.960 8.370 -0.410 17948 4957 1 11 . 1 1 40 40 VAL N N 40 119.113 119.113 120.371 -1.258 17948 4958 1 11 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.168 -0.124 17948 4959 1 11 . 1 1 40 40 VAL CA C 40 62.900 62.900 63.774 -0.874 17948 4960 1 11 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.057 0.443 17948 4961 1 11 . 1 1 40 40 VAL H H 40 7.948 7.948 8.158 -0.210 17948 4962 1 11 . 1 1 41 41 ALA N N 41 125.220 125.220 122.498 2.722 17948 4963 1 11 . 1 1 41 41 ALA HA H 41 4.294 4.294 3.991 0.303 17948 4964 1 11 . 1 1 41 41 ALA CA C 41 52.900 52.900 52.677 0.223 17948 4965 1 11 . 1 1 41 41 ALA CB C 41 19.100 19.100 17.638 1.462 17948 4966 1 11 . 1 1 41 41 ALA H H 41 8.168 8.168 8.178 -0.010 17948 4967 1 11 . 1 1 42 42 GLY N N 42 107.007 107.007 108.457 -1.450 17948 4968 1 11 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.972 0.428 17948 4969 1 11 . 1 1 42 42 GLY H H 42 8.130 8.130 8.432 -0.302 17948 4970 1 11 . 1 1 43 43 LYS N N 43 122.310 122.310 119.687 2.623 17948 4971 1 11 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.766 -0.395 17948 4972 1 11 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.719 0.281 17948 4973 1 11 . 1 1 43 43 LYS CB C 43 33.000 33.000 34.919 -1.919 17948 4974 1 11 . 1 1 43 43 LYS H H 43 8.253 8.253 8.389 -0.136 17948 4975 1 11 . 1 1 44 44 VAL N N 44 120.734 120.734 121.296 -0.562 17948 4976 1 11 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.427 -0.287 17948 4977 1 11 . 1 1 44 44 VAL CA C 44 62.000 62.000 61.912 0.088 17948 4978 1 11 . 1 1 44 44 VAL CB C 44 32.700 32.700 34.472 -1.772 17948 4979 1 11 . 1 1 44 44 VAL H H 44 8.026 8.026 8.681 -0.655 17948 4980 1 11 . 1 1 45 45 GLN N N 45 124.893 124.893 124.972 -0.079 17948 4981 1 11 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.488 -0.208 17948 4982 1 11 . 1 1 45 45 GLN CA C 45 53.400 53.400 55.273 -1.873 17948 4983 1 11 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.954 -0.954 17948 4984 1 11 . 1 1 45 45 GLN H H 45 8.385 8.385 8.679 -0.294 17948 4985 1 11 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.362 -0.191 17948 4986 1 11 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.625 -1.825 17948 4987 1 11 . 1 1 46 46 PRO CB C 46 32.929 32.929 31.834 1.095 17948 4988 1 11 . 1 1 47 47 GLU N N 47 123.526 123.526 119.583 3.943 17948 4989 1 11 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.127 0.133 17948 4990 1 11 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.852 -0.652 17948 4991 1 11 . 1 1 47 47 GLU CB C 47 30.700 30.700 29.334 1.366 17948 4992 1 11 . 1 1 47 47 GLU H H 47 8.039 8.039 8.452 -0.413 17948 4993 1 11 . 1 1 48 48 ASP N N 48 122.131 122.131 120.628 1.503 17948 4994 1 11 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.822 -0.224 17948 4995 1 11 . 1 1 48 48 ASP CA C 48 56.330 56.330 53.557 2.773 17948 4996 1 11 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.976 -11.276 17948 4997 1 11 . 1 1 48 48 ASP H H 48 8.402 8.402 8.364 0.038 17948 4998 1 11 . 1 1 49 49 ASN N N 49 121.154 121.154 118.789 2.365 17948 4999 1 11 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.734 -0.034 17948 5000 1 11 . 1 1 49 49 ASN CA C 49 51.600 51.600 52.905 -1.305 17948 5001 1 11 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.895 1.678 17948 5002 1 11 . 1 1 49 49 ASN H H 49 8.338 8.338 8.323 0.015 17948 5003 1 11 . 1 1 50 50 LYS N N 50 120.660 120.660 119.831 0.829 17948 5004 1 11 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.175 0.124 17948 5005 1 11 . 1 1 50 50 LYS H H 50 8.247 8.247 8.409 -0.162 17948 5006 1 11 . 1 1 51 51 GLY N N 51 108.915 108.915 109.902 -0.987 17948 5007 1 11 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.825 0.575 17948 5008 1 11 . 1 1 51 51 GLY H H 51 8.320 8.320 8.084 0.236 17948 5009 1 11 . 1 1 52 52 VAL N N 52 118.906 118.906 120.951 -2.045 17948 5010 1 11 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.389 -0.343 17948 5011 1 11 . 1 1 52 52 VAL CA C 52 62.400 62.400 62.437 -0.037 17948 5012 1 11 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.273 0.227 17948 5013 1 11 . 1 1 52 52 VAL H H 52 7.836 7.836 8.248 -0.411 17948 5014 1 11 . 1 1 53 53 PHE N N 53 123.002 123.002 122.626 0.376 17948 5015 1 11 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.663 -0.015 17948 5016 1 11 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.154 0.446 17948 5017 1 11 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.327 -0.927 17948 5018 1 11 . 1 1 53 53 PHE H H 53 8.284 8.284 7.819 0.465 17948 5019 1 11 . 1 1 54 54 GLN N N 54 122.278 122.278 120.616 1.662 17948 5020 1 11 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.209 0.104 17948 5021 1 11 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.997 -0.197 17948 5022 1 11 . 1 1 54 54 GLN CB C 54 29.500 29.500 28.850 0.650 17948 5023 1 11 . 1 1 54 54 GLN H H 54 8.223 8.223 8.721 -0.498 17948 5024 1 11 . 1 1 55 55 GLY N N 55 109.285 109.285 111.761 -2.476 17948 5025 1 11 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.222 -0.022 17948 5026 1 11 . 1 1 55 55 GLY H H 55 7.900 7.900 8.327 -0.427 17948 5027 1 11 . 1 1 56 56 VAL H H 56 7.898 7.898 7.765 0.133 17948 5028 1 11 . 1 1 57 57 HIS N N 57 120.411 120.411 123.117 -2.706 17948 5029 1 11 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.844 -0.595 17948 5030 1 11 . 1 1 57 57 HIS H H 57 8.529 8.529 8.372 0.157 17948 5031 1 11 . 1 1 58 58 ASP N N 58 120.960 120.960 122.206 -1.246 17948 5032 1 11 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.930 -0.320 17948 5033 1 11 . 1 1 58 58 ASP H H 58 8.234 8.234 8.051 0.183 17948 5034 1 11 . 1 1 59 59 SER N N 59 116.391 116.391 115.756 0.635 17948 5035 1 11 . 1 1 59 59 SER HA H 59 4.398 4.398 4.710 -0.312 17948 5036 1 11 . 1 1 59 59 SER CA C 59 58.500 58.500 57.897 0.603 17948 5037 1 11 . 1 1 59 59 SER CB C 59 63.700 63.700 63.319 0.381 17948 5038 1 11 . 1 1 59 59 SER H H 59 8.248 8.248 8.525 -0.277 17948 5039 1 11 . 1 1 60 60 ALA N N 60 125.620 125.620 127.019 -1.399 17948 5040 1 11 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.335 -0.027 17948 5041 1 11 . 1 1 60 60 ALA CA C 60 52.800 52.800 51.924 0.876 17948 5042 1 11 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.872 -0.711 17948 5043 1 11 . 1 1 60 60 ALA H H 60 8.290 8.290 8.205 0.085 17948 5044 1 11 . 1 1 61 61 GLU N N 61 119.550 119.550 120.144 -0.594 17948 5045 1 11 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.104 0.147 17948 5046 1 11 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.694 -0.094 17948 5047 1 11 . 1 1 61 61 GLU CB C 61 30.100 30.100 29.890 0.210 17948 5048 1 11 . 1 1 61 61 GLU H H 61 8.206 8.206 8.486 -0.280 17948 5049 1 11 . 1 1 62 62 LYS N N 62 122.003 122.003 124.636 -2.633 17948 5050 1 11 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.536 -0.236 17948 5051 1 11 . 1 1 62 62 LYS CA C 62 56.800 56.800 55.974 0.826 17948 5052 1 11 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.392 0.508 17948 5053 1 11 . 1 1 62 62 LYS H H 62 8.157 8.157 8.398 -0.241 17948 5054 1 11 . 1 1 63 63 GLY N N 63 109.728 109.728 111.758 -2.030 17948 5055 1 11 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.014 0.286 17948 5056 1 11 . 1 1 63 63 GLY H H 63 8.371 8.371 8.513 -0.142 17948 5057 1 11 . 1 1 64 64 LYS N N 64 120.537 120.537 122.267 -1.730 17948 5058 1 11 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.384 -0.044 17948 5059 1 11 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.099 0.101 17948 5060 1 11 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.282 -0.282 17948 5061 1 11 . 1 1 64 64 LYS H H 64 8.078 8.078 8.453 -0.375 17948 5062 1 11 . 1 1 65 65 ASP N N 65 120.981 120.981 120.738 0.243 17948 5063 1 11 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.395 0.195 17948 5064 1 11 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.776 -0.476 17948 5065 1 11 . 1 1 65 65 ASP CB C 65 41.200 41.200 40.882 0.318 17948 5066 1 11 . 1 1 65 65 ASP H H 65 8.336 8.336 8.338 -0.002 17948 5067 1 11 . 1 1 66 66 ASN N N 66 119.056 119.056 119.630 -0.574 17948 5068 1 11 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.811 -0.120 17948 5069 1 11 . 1 1 66 66 ASN CA C 66 53.200 53.200 52.743 0.457 17948 5070 1 11 . 1 1 66 66 ASN CB C 66 39.000 39.000 40.181 -1.181 17948 5071 1 11 . 1 1 66 66 ASN H H 66 8.280 8.280 8.312 -0.032 17948 5072 1 11 . 1 1 67 67 ALA N N 67 124.164 124.164 121.247 2.917 17948 5073 1 11 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.362 -0.049 17948 5074 1 11 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.769 0.955 17948 5075 1 11 . 1 1 67 67 ALA CB C 67 19.171 19.171 21.403 -2.232 17948 5076 1 11 . 1 1 67 67 ALA H H 67 8.248 8.248 8.264 -0.016 17948 5077 1 11 . 1 1 68 68 GLU N N 68 119.599 119.599 118.098 1.501 17948 5078 1 11 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.538 -0.256 17948 5079 1 11 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.226 1.586 17948 5080 1 11 . 1 1 68 68 GLU CB C 68 30.126 30.126 32.518 -2.392 17948 5081 1 11 . 1 1 68 68 GLU H H 68 8.295 8.295 8.443 -0.148 17948 5082 1 11 . 1 1 69 69 GLY N N 69 109.616 109.616 109.027 0.589 17948 5083 1 11 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.973 0.467 17948 5084 1 11 . 1 1 69 69 GLY H H 69 8.348 8.348 8.303 0.045 17948 5085 1 11 . 1 1 70 70 GLN N N 70 119.476 119.476 118.225 1.251 17948 5086 1 11 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.578 -0.190 17948 5087 1 11 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.002 0.859 17948 5088 1 11 . 1 1 70 70 GLN CB C 70 29.500 29.500 32.678 -3.178 17948 5089 1 11 . 1 1 70 70 GLN H H 70 8.200 8.200 8.526 -0.326 17948 5090 1 11 . 1 1 71 71 GLY N N 71 109.928 109.928 109.996 -0.068 17948 5091 1 11 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.122 0.238 17948 5092 1 11 . 1 1 71 71 GLY H H 71 8.438 8.438 8.270 0.168 17948 5093 1 11 . 1 1 72 72 GLU N N 72 120.438 120.438 120.337 0.101 17948 5094 1 11 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.579 -0.181 17948 5095 1 11 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.404 -0.004 17948 5096 1 11 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.386 1.314 17948 5097 1 11 . 1 1 72 72 GLU H H 72 8.296 8.296 8.662 -0.366 17948 5098 1 11 . 1 1 73 73 SER N N 73 117.699 117.699 113.586 4.113 17948 5099 1 11 . 1 1 73 73 SER HA H 73 4.601 4.601 4.391 0.210 17948 5100 1 11 . 1 1 73 73 SER CA C 73 58.011 58.011 58.309 -0.298 17948 5101 1 11 . 1 1 73 73 SER CB C 73 64.816 64.816 63.714 1.102 17948 5102 1 11 . 1 1 73 73 SER H H 73 8.666 8.666 8.069 0.597 17948 5103 1 11 . 1 1 74 74 LEU N N 74 125.422 125.422 123.649 1.773 17948 5104 1 11 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.152 0.089 17948 5105 1 11 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.876 0.847 17948 5106 1 11 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.311 0.844 17948 5107 1 11 . 1 1 74 74 LEU H H 74 8.899 8.899 8.424 0.475 17948 5108 1 11 . 1 1 75 75 ALA N N 75 120.685 120.685 122.330 -1.645 17948 5109 1 11 . 1 1 75 75 ALA HA H 75 4.021 4.021 4.108 -0.087 17948 5110 1 11 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.031 -0.231 17948 5111 1 11 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.372 0.228 17948 5112 1 11 . 1 1 75 75 ALA H H 75 8.389 8.389 8.258 0.131 17948 5113 1 11 . 1 1 76 76 ASP N N 76 117.754 117.754 118.234 -0.480 17948 5114 1 11 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.397 0.037 17948 5115 1 11 . 1 1 76 76 ASP CA C 76 56.700 56.700 56.707 -0.007 17948 5116 1 11 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.790 -0.107 17948 5117 1 11 . 1 1 76 76 ASP H H 76 7.777 7.777 7.779 -0.002 17948 5118 1 11 . 1 1 77 77 GLN N N 77 119.402 119.402 119.265 0.137 17948 5119 1 11 . 1 1 77 77 GLN HA H 77 4.221 4.221 3.921 0.300 17948 5120 1 11 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.827 -0.983 17948 5121 1 11 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.528 1.074 17948 5122 1 11 . 1 1 77 77 GLN H H 77 8.038 8.038 7.869 0.169 17948 5123 1 11 . 1 1 78 78 ALA N N 78 121.376 121.376 122.242 -0.866 17948 5124 1 11 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.202 -0.031 17948 5125 1 11 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.574 -0.024 17948 5126 1 11 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.518 0.336 17948 5127 1 11 . 1 1 78 78 ALA H H 78 8.427 8.427 8.456 -0.029 17948 5128 1 11 . 1 1 79 79 ARG N N 79 117.905 117.905 119.209 -1.304 17948 5129 1 11 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.041 -0.023 17948 5130 1 11 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.781 0.512 17948 5131 1 11 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.761 0.398 17948 5132 1 11 . 1 1 79 79 ARG H H 79 8.031 8.031 7.718 0.313 17948 5133 1 11 . 1 1 80 80 ASP N N 80 120.290 120.290 119.386 0.904 17948 5134 1 11 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.449 0.112 17948 5135 1 11 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.576 -1.300 17948 5136 1 11 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.915 -0.415 17948 5137 1 11 . 1 1 80 80 ASP H H 80 8.126 8.126 8.338 -0.212 17948 5138 1 11 . 1 1 81 81 TYR N N 81 120.191 120.191 120.083 0.108 17948 5139 1 11 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.410 -0.070 17948 5140 1 11 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.261 0.858 17948 5141 1 11 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.557 -0.057 17948 5142 1 11 . 1 1 81 81 TYR H H 81 8.250 8.250 7.641 0.609 17948 5143 1 11 . 1 1 82 82 MET N N 82 117.996 117.996 119.205 -1.209 17948 5144 1 11 . 1 1 82 82 MET HA H 82 4.222 4.222 3.968 0.254 17948 5145 1 11 . 1 1 82 82 MET CA C 82 58.618 58.618 59.807 -1.189 17948 5146 1 11 . 1 1 82 82 MET CB C 82 32.875 32.875 32.307 0.568 17948 5147 1 11 . 1 1 82 82 MET H H 82 8.354 8.354 8.516 -0.162 17948 5148 1 11 . 1 1 83 83 GLY N N 83 106.902 106.902 104.753 2.149 17948 5149 1 11 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.050 0.150 17948 5150 1 11 . 1 1 83 83 GLY H H 83 8.365 8.365 7.977 0.388 17948 5151 1 11 . 1 1 84 84 ALA N N 84 124.830 124.830 123.820 1.010 17948 5152 1 11 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.271 0.047 17948 5153 1 11 . 1 1 84 84 ALA CA C 84 54.278 54.278 54.109 0.169 17948 5154 1 11 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.333 0.236 17948 5155 1 11 . 1 1 84 84 ALA H H 84 7.950 7.950 7.335 0.615 17948 5156 1 11 . 1 1 85 85 ALA N N 85 120.542 120.542 121.535 -0.993 17948 5157 1 11 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.857 0.180 17948 5158 1 11 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.978 0.001 17948 5159 1 11 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.418 0.082 17948 5160 1 11 . 1 1 85 85 ALA H H 85 8.274 8.274 8.050 0.224 17948 5161 1 11 . 1 1 86 86 LYS N N 86 116.920 116.920 117.940 -1.020 17948 5162 1 11 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.957 -0.070 17948 5163 1 11 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.448 0.612 17948 5164 1 11 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.782 0.518 17948 5165 1 11 . 1 1 86 86 LYS H H 86 8.265 8.265 8.150 0.115 17948 5166 1 11 . 1 1 87 87 SER N N 87 113.664 113.664 114.552 -0.888 17948 5167 1 11 . 1 1 87 87 SER HA H 87 4.312 4.312 4.259 0.053 17948 5168 1 11 . 1 1 87 87 SER CA C 87 61.330 61.330 60.944 0.386 17948 5169 1 11 . 1 1 87 87 SER CB C 87 62.900 62.900 62.883 0.017 17948 5170 1 11 . 1 1 87 87 SER H H 87 7.926 7.926 7.679 0.247 17948 5171 1 11 . 1 1 88 88 LYS N N 88 120.310 120.310 121.941 -1.631 17948 5172 1 11 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.101 0.285 17948 5173 1 11 . 1 1 88 88 LYS CA C 88 57.344 57.344 58.957 -1.613 17948 5174 1 11 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.434 -0.635 17948 5175 1 11 . 1 1 88 88 LYS H H 88 7.859 7.859 7.633 0.226 17948 5176 1 11 . 1 1 89 89 LEU N N 89 119.648 119.648 121.626 -1.978 17948 5177 1 11 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.995 0.106 17948 5178 1 11 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.671 0.396 17948 5179 1 11 . 1 1 89 89 LEU CB C 89 41.500 41.500 41.008 0.492 17948 5180 1 11 . 1 1 89 89 LEU H H 89 8.158 8.158 8.176 -0.018 17948 5181 1 11 . 1 1 90 90 ASN N N 90 117.422 117.422 117.340 0.082 17948 5182 1 11 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.332 0.066 17948 5183 1 11 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.638 0.421 17948 5184 1 11 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.319 0.181 17948 5185 1 11 . 1 1 90 90 ASN H H 90 8.240 8.240 7.770 0.470 17948 5186 1 11 . 1 1 91 91 ASP N N 91 119.945 119.945 119.675 0.270 17948 5187 1 11 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.458 -0.017 17948 5188 1 11 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.527 -0.183 17948 5189 1 11 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.848 -0.548 17948 5190 1 11 . 1 1 91 91 ASP H H 91 8.111 8.111 7.622 0.489 17948 5191 1 11 . 1 1 92 92 ALA N N 92 123.226 123.226 122.612 0.614 17948 5192 1 11 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.169 0.005 17948 5193 1 11 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.874 0.499 17948 5194 1 11 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.430 -0.130 17948 5195 1 11 . 1 1 92 92 ALA H H 92 8.240 8.240 7.486 0.754 17948 5196 1 11 . 1 1 93 93 VAL N N 93 117.940 117.940 119.478 -1.538 17948 5197 1 11 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.613 -0.014 17948 5198 1 11 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.617 0.276 17948 5199 1 11 . 1 1 93 93 VAL CB C 93 31.613 31.613 30.594 1.019 17948 5200 1 11 . 1 1 93 93 VAL H H 93 8.410 8.410 8.158 0.252 17948 5201 1 11 . 1 1 94 94 GLU N N 94 120.610 120.610 119.036 1.574 17948 5202 1 11 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.917 0.133 17948 5203 1 11 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.745 -0.145 17948 5204 1 11 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.444 0.156 17948 5205 1 11 . 1 1 94 94 GLU H H 94 8.289 8.289 7.976 0.313 17948 5206 1 11 . 1 1 95 95 TYR N N 95 120.241 120.241 119.468 0.773 17948 5207 1 11 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.118 0.152 17948 5208 1 11 . 1 1 95 95 TYR CA C 95 61.300 61.300 62.004 -0.704 17948 5209 1 11 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.788 -0.088 17948 5210 1 11 . 1 1 95 95 TYR H H 95 8.186 8.186 7.369 0.817 17948 5211 1 11 . 1 1 96 96 VAL N N 96 116.942 116.942 118.099 -1.157 17948 5212 1 11 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.637 -0.091 17948 5213 1 11 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.604 -0.534 17948 5214 1 11 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.185 0.560 17948 5215 1 11 . 1 1 96 96 VAL H H 96 8.394 8.394 8.190 0.204 17948 5216 1 11 . 1 1 97 97 SER N N 97 113.924 113.924 115.173 -1.249 17948 5217 1 11 . 1 1 97 97 SER HA H 97 4.145 4.145 4.261 -0.116 17948 5218 1 11 . 1 1 97 97 SER CA C 97 61.393 61.393 61.274 0.119 17948 5219 1 11 . 1 1 97 97 SER CB C 97 63.415 63.415 62.835 0.580 17948 5220 1 11 . 1 1 97 97 SER H H 97 8.433 8.433 8.690 -0.257 17948 5221 1 11 . 1 1 98 98 GLY N N 98 107.509 107.509 108.706 -1.197 17948 5222 1 11 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.056 0.242 17948 5223 1 11 . 1 1 98 98 GLY H H 98 7.899 7.899 7.551 0.348 17948 5224 1 11 . 1 1 99 99 ARG N N 99 119.471 119.471 120.522 -1.051 17948 5225 1 11 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.235 0.033 17948 5226 1 11 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.889 -0.362 17948 5227 1 11 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.297 0.003 17948 5228 1 11 . 1 1 99 99 ARG H H 99 7.696 7.696 7.543 0.153 17948 5229 1 11 . 1 1 100 100 VAL N N 100 117.316 117.316 116.834 0.482 17948 5230 1 11 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.803 0.157 17948 5231 1 11 . 1 1 100 100 VAL CA C 100 63.400 63.400 63.759 -0.359 17948 5232 1 11 . 1 1 100 100 VAL CB C 100 32.320 32.320 32.105 0.215 17948 5233 1 11 . 1 1 100 100 VAL H H 100 7.906 7.906 7.315 0.591 17948 5234 1 11 . 1 1 101 101 HIS N N 101 119.155 119.155 118.262 0.893 17948 5235 1 11 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.287 0.414 17948 5236 1 11 . 1 1 101 101 HIS CA C 101 56.200 56.200 56.197 0.003 17948 5237 1 11 . 1 1 101 101 HIS CB C 101 30.048 30.048 28.187 1.861 17948 5238 1 11 . 1 1 101 101 HIS H H 101 8.130 8.130 7.559 0.571 17948 5239 1 11 . 1 1 102 102 GLY N N 102 109.145 109.145 108.634 0.511 17948 5240 1 11 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.434 -0.100 17948 5241 1 11 . 1 1 102 102 GLY H H 102 8.086 8.086 8.525 -0.439 17948 5242 1 11 . 1 1 103 103 GLU N N 103 119.345 119.345 119.802 -0.457 17948 5243 1 11 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.549 -0.219 17948 5244 1 11 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.585 5.715 17948 5245 1 11 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.733 2.021 17948 5246 1 11 . 1 1 103 103 GLU H H 103 7.932 7.932 8.174 -0.242 17948 5247 1 11 . 1 1 104 104 GLU N N 104 122.105 122.105 119.207 2.898 17948 5248 1 11 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.496 -0.224 17948 5249 1 11 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.053 0.179 17948 5250 1 11 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.470 -0.970 17948 5251 1 11 . 1 1 104 104 GLU H H 104 8.325 8.325 8.377 -0.052 17948 5252 1 11 . 1 1 105 105 ASP N N 105 124.188 124.188 118.653 5.535 17948 5253 1 11 . 1 1 105 105 ASP HA H 105 4.610 4.610 5.007 -0.397 17948 5254 1 11 . 1 1 105 105 ASP CA C 105 54.520 54.520 52.303 2.217 17948 5255 1 11 . 1 1 105 105 ASP CB C 105 40.700 40.700 42.330 -1.630 17948 5256 1 11 . 1 1 105 105 ASP H H 105 8.077 8.077 8.368 -0.291 17948 5257 1 11 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.371 0.113 17948 5258 1 11 . 1 1 106 106 PRO CA C 106 63.824 63.824 64.189 -0.365 17948 5259 1 11 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.090 0.110 17948 5260 1 11 . 1 1 107 107 THR N N 107 111.950 111.950 111.678 0.272 17948 5261 1 11 . 1 1 107 107 THR HA H 107 4.273 4.273 4.036 0.237 17948 5262 1 11 . 1 1 107 107 THR CA C 107 62.700 62.700 63.150 -0.450 17948 5263 1 11 . 1 1 107 107 THR CB C 107 69.400 69.400 68.894 0.506 17948 5264 1 11 . 1 1 107 107 THR H H 107 8.339 8.339 8.211 0.128 17948 5265 1 11 . 1 1 108 108 LYS N N 108 123.349 123.349 120.129 3.220 17948 5266 1 11 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.362 -0.005 17948 5267 1 11 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.901 -0.901 17948 5268 1 11 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.259 -0.459 17948 5269 1 11 . 1 1 108 108 LYS H H 108 7.727 7.727 8.117 -0.390 17948 5270 1 12 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.902 -0.292 17948 5271 1 12 . 1 1 3 3 ASP H H 3 8.330 8.330 8.170 0.160 17948 5272 1 12 . 1 1 4 4 ALA N N 4 124.218 124.218 124.701 -0.483 17948 5273 1 12 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.594 -0.334 17948 5274 1 12 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.133 0.867 17948 5275 1 12 . 1 1 4 4 ALA CB C 4 18.965 18.965 20.114 -1.149 17948 5276 1 12 . 1 1 4 4 ALA H H 4 8.180 8.180 8.231 -0.051 17948 5277 1 12 . 1 1 5 5 GLY N N 5 107.349 107.349 108.018 -0.669 17948 5278 1 12 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.505 0.595 17948 5279 1 12 . 1 1 5 5 GLY H H 5 8.344 8.344 8.976 -0.632 17948 5280 1 12 . 1 1 6 6 ARG N N 6 119.351 119.351 120.668 -1.317 17948 5281 1 12 . 1 1 6 6 ARG HA H 6 4.270 4.270 5.263 -0.993 17948 5282 1 12 . 1 1 6 6 ARG H H 6 7.971 7.971 8.816 -0.845 17948 5283 1 12 . 1 1 7 7 LYS N N 7 122.700 122.700 118.943 3.757 17948 5284 1 12 . 1 1 7 7 LYS HA H 7 4.280 4.280 5.009 -0.729 17948 5285 1 12 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.051 0.349 17948 5286 1 12 . 1 1 7 7 LYS CB C 7 32.900 32.900 35.095 -2.195 17948 5287 1 12 . 1 1 7 7 LYS H H 7 8.034 8.034 8.912 -0.878 17948 5288 1 12 . 1 1 8 8 GLY H H 8 8.340 8.340 8.693 -0.353 17948 5289 1 12 . 1 1 9 9 PHE N N 9 122.017 122.017 121.479 0.538 17948 5290 1 12 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.773 -0.153 17948 5291 1 12 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.104 -2.104 17948 5292 1 12 . 1 1 9 9 PHE CB C 9 39.950 39.950 40.330 -0.379 17948 5293 1 12 . 1 1 9 9 PHE H H 9 8.093 8.093 8.589 -0.496 17948 5294 1 12 . 1 1 10 10 GLY N N 10 120.389 120.389 110.472 9.917 17948 5295 1 12 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.889 0.665 17948 5296 1 12 . 1 1 10 10 GLY H H 10 7.996 7.996 8.133 -0.137 17948 5297 1 12 . 1 1 11 11 GLU N N 11 120.847 120.847 121.326 -0.479 17948 5298 1 12 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.064 0.196 17948 5299 1 12 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.923 0.138 17948 5300 1 12 . 1 1 11 11 GLU CB C 11 30.200 30.200 29.760 0.440 17948 5301 1 12 . 1 1 11 11 GLU H H 11 8.168 8.168 8.596 -0.428 17948 5302 1 12 . 1 1 12 12 LYS N N 12 121.524 121.524 122.641 -1.117 17948 5303 1 12 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.562 -0.282 17948 5304 1 12 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.321 0.231 17948 5305 1 12 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.404 -0.604 17948 5306 1 12 . 1 1 12 12 LYS H H 12 8.273 8.273 8.388 -0.115 17948 5307 1 12 . 1 1 13 13 ALA N N 13 124.765 124.765 126.574 -1.809 17948 5308 1 12 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.540 -0.280 17948 5309 1 12 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.927 1.129 17948 5310 1 12 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.643 -0.743 17948 5311 1 12 . 1 1 13 13 ALA H H 13 8.288 8.288 8.533 -0.245 17948 5312 1 12 . 1 1 14 14 SER N N 14 114.047 114.047 117.135 -3.088 17948 5313 1 12 . 1 1 14 14 SER HA H 14 4.342 4.342 5.073 -0.731 17948 5314 1 12 . 1 1 14 14 SER CA C 14 58.918 58.918 57.620 1.298 17948 5315 1 12 . 1 1 14 14 SER CB C 14 63.539 63.539 64.090 -0.551 17948 5316 1 12 . 1 1 14 14 SER H H 14 8.145 8.145 8.706 -0.561 17948 5317 1 12 . 1 1 15 15 GLU N N 15 122.145 122.145 119.706 2.439 17948 5318 1 12 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.229 0.031 17948 5319 1 12 . 1 1 15 15 GLU CA C 15 48.017 48.017 57.603 -9.586 17948 5320 1 12 . 1 1 15 15 GLU CB C 15 30.341 30.341 28.492 1.849 17948 5321 1 12 . 1 1 15 15 GLU H H 15 8.223 8.223 9.031 -0.808 17948 5322 1 12 . 1 1 16 16 ALA N N 16 123.491 123.491 125.381 -1.890 17948 5323 1 12 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.460 -0.176 17948 5324 1 12 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.639 0.861 17948 5325 1 12 . 1 1 16 16 ALA CB C 16 19.200 19.200 20.136 -0.936 17948 5326 1 12 . 1 1 16 16 ALA H H 16 8.033 8.033 8.127 -0.094 17948 5327 1 12 . 1 1 17 17 LEU N N 17 120.066 120.066 118.990 1.076 17948 5328 1 12 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.163 0.171 17948 5329 1 12 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.672 -0.771 17948 5330 1 12 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.665 -0.365 17948 5331 1 12 . 1 1 17 17 LEU H H 17 7.901 7.901 8.176 -0.275 17948 5332 1 12 . 1 1 18 18 LYS N N 18 122.658 122.658 118.914 3.744 17948 5333 1 12 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.507 -0.227 17948 5334 1 12 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.330 -1.330 17948 5335 1 12 . 1 1 18 18 LYS CB C 18 32.637 32.637 32.186 0.451 17948 5336 1 12 . 1 1 18 18 LYS H H 18 8.081 8.081 8.222 -0.141 17948 5337 1 12 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.679 -0.252 17948 5338 1 12 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.314 -0.014 17948 5339 1 12 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.117 -0.218 17948 5340 1 12 . 1 1 20 20 ASP N N 20 119.912 119.912 119.393 0.519 17948 5341 1 12 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.958 -0.387 17948 5342 1 12 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.367 1.133 17948 5343 1 12 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.348 -0.448 17948 5344 1 12 . 1 1 20 20 ASP H H 20 8.398 8.398 8.814 -0.416 17948 5345 1 12 . 1 1 21 21 SER N N 21 115.552 115.552 116.849 -1.297 17948 5346 1 12 . 1 1 21 21 SER HA H 21 4.513 4.513 4.899 -0.386 17948 5347 1 12 . 1 1 21 21 SER CA C 21 58.726 58.726 57.538 1.188 17948 5348 1 12 . 1 1 21 21 SER CB C 21 63.709 63.709 65.523 -1.814 17948 5349 1 12 . 1 1 21 21 SER H H 21 8.113 8.113 8.641 -0.528 17948 5350 1 12 . 1 1 22 22 GLN N N 22 119.920 119.920 121.865 -1.945 17948 5351 1 12 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.567 -0.287 17948 5352 1 12 . 1 1 22 22 GLN H H 22 8.224 8.224 8.604 -0.380 17948 5353 1 12 . 1 1 23 23 LYS N N 23 121.734 121.734 122.018 -0.284 17948 5354 1 12 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.787 -0.507 17948 5355 1 12 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.482 -0.309 17948 5356 1 12 . 1 1 23 23 LYS CB C 23 30.593 30.593 33.708 -3.115 17948 5357 1 12 . 1 1 23 23 LYS H H 23 8.415 8.415 8.878 -0.463 17948 5358 1 12 . 1 1 24 24 SER N N 24 126.408 126.408 113.020 13.388 17948 5359 1 12 . 1 1 24 24 SER HA H 24 4.510 4.510 4.698 -0.188 17948 5360 1 12 . 1 1 24 24 SER CA C 24 57.341 57.341 57.919 -0.577 17948 5361 1 12 . 1 1 24 24 SER CB C 24 63.800 63.800 64.255 -0.455 17948 5362 1 12 . 1 1 24 24 SER H H 24 7.595 7.595 8.066 -0.471 17948 5363 1 12 . 1 1 25 25 TYR N N 25 120.790 120.790 119.389 1.401 17948 5364 1 12 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.712 -0.256 17948 5365 1 12 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.362 1.374 17948 5366 1 12 . 1 1 25 25 TYR CB C 25 38.069 38.069 40.016 -1.947 17948 5367 1 12 . 1 1 25 25 TYR H H 25 8.370 8.370 8.147 0.223 17948 5368 1 12 . 1 1 26 26 ALA N N 26 122.684 122.684 124.005 -1.321 17948 5369 1 12 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.626 -0.462 17948 5370 1 12 . 1 1 26 26 ALA CA C 26 54.000 54.000 51.957 2.043 17948 5371 1 12 . 1 1 26 26 ALA CB C 26 18.900 18.900 20.343 -1.443 17948 5372 1 12 . 1 1 26 26 ALA H H 26 8.405 8.405 7.692 0.713 17948 5373 1 12 . 1 1 27 27 GLU N N 27 118.504 118.504 118.784 -0.280 17948 5374 1 12 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.815 -0.699 17948 5375 1 12 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.090 1.910 17948 5376 1 12 . 1 1 27 27 GLU CB C 27 30.000 30.000 31.818 -1.818 17948 5377 1 12 . 1 1 27 27 GLU H H 27 7.988 7.988 8.766 -0.778 17948 5378 1 12 . 1 1 28 28 GLN N N 28 119.735 119.735 118.943 0.792 17948 5379 1 12 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.957 -0.733 17948 5380 1 12 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.467 2.133 17948 5381 1 12 . 1 1 28 28 GLN CB C 28 29.400 29.400 31.524 -2.124 17948 5382 1 12 . 1 1 28 28 GLN H H 28 8.282 8.282 8.903 -0.621 17948 5383 1 12 . 1 1 29 29 GLY N N 29 108.734 108.734 110.032 -1.298 17948 5384 1 12 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.475 1.925 17948 5385 1 12 . 1 1 29 29 GLY H H 29 8.645 8.645 8.561 0.084 17948 5386 1 12 . 1 1 30 30 LYS N N 30 120.800 120.800 120.873 -0.073 17948 5387 1 12 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.703 -0.423 17948 5388 1 12 . 1 1 30 30 LYS CA C 30 57.992 57.992 56.029 1.963 17948 5389 1 12 . 1 1 30 30 LYS CB C 30 29.800 29.800 34.686 -4.886 17948 5390 1 12 . 1 1 30 30 LYS H H 30 8.140 8.140 8.732 -0.592 17948 5391 1 12 . 1 1 31 31 GLU N N 31 119.994 119.994 124.231 -4.237 17948 5392 1 12 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.427 -0.167 17948 5393 1 12 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.072 3.328 17948 5394 1 12 . 1 1 31 31 GLU CB C 31 32.521 32.521 30.933 1.588 17948 5395 1 12 . 1 1 31 31 GLU H H 31 8.039 8.039 8.966 -0.927 17948 5396 1 12 . 1 1 32 32 TYR N N 32 119.254 119.254 122.985 -3.731 17948 5397 1 12 . 1 1 32 32 TYR HA H 32 4.630 4.630 5.199 -0.569 17948 5398 1 12 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.121 0.899 17948 5399 1 12 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.777 -0.617 17948 5400 1 12 . 1 1 32 32 TYR H H 32 7.994 7.994 8.423 -0.429 17948 5401 1 12 . 1 1 33 33 ILE N N 33 121.600 121.600 125.603 -4.003 17948 5402 1 12 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.486 -0.462 17948 5403 1 12 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.345 0.755 17948 5404 1 12 . 1 1 33 33 ILE CB C 33 38.300 38.300 40.776 -2.476 17948 5405 1 12 . 1 1 33 33 ILE H H 33 8.260 8.260 9.099 -0.839 17948 5406 1 12 . 1 1 34 34 THR N N 34 115.849 115.849 119.410 -3.561 17948 5407 1 12 . 1 1 34 34 THR HA H 34 4.480 4.480 4.351 0.129 17948 5408 1 12 . 1 1 34 34 THR CA C 34 63.600 63.600 62.397 1.203 17948 5409 1 12 . 1 1 34 34 THR CB C 34 69.300 69.300 69.420 -0.120 17948 5410 1 12 . 1 1 34 34 THR H H 34 8.082 8.082 8.454 -0.372 17948 5411 1 12 . 1 1 35 35 ASP N N 35 122.190 122.190 120.511 1.679 17948 5412 1 12 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.476 0.078 17948 5413 1 12 . 1 1 35 35 ASP CA C 35 55.400 55.400 55.305 0.095 17948 5414 1 12 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.431 0.069 17948 5415 1 12 . 1 1 35 35 ASP H H 35 8.102 8.102 8.307 -0.205 17948 5416 1 12 . 1 1 36 36 LYS N N 36 119.451 119.451 120.379 -0.928 17948 5417 1 12 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.359 -0.149 17948 5418 1 12 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.887 -0.387 17948 5419 1 12 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.415 -0.915 17948 5420 1 12 . 1 1 36 36 LYS H H 36 7.983 7.983 8.472 -0.489 17948 5421 1 12 . 1 1 37 37 ALA N N 37 123.038 123.038 121.203 1.835 17948 5422 1 12 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.496 -0.315 17948 5423 1 12 . 1 1 37 37 ALA CA C 37 53.600 53.600 51.872 1.728 17948 5424 1 12 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.561 -0.760 17948 5425 1 12 . 1 1 37 37 ALA H H 37 8.241 8.241 7.753 0.488 17948 5426 1 12 . 1 1 38 38 ASP N N 38 118.323 118.323 119.609 -1.286 17948 5427 1 12 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.647 -0.143 17948 5428 1 12 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.012 1.088 17948 5429 1 12 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.705 -0.705 17948 5430 1 12 . 1 1 38 38 ASP H H 38 8.144 8.144 8.513 -0.369 17948 5431 1 12 . 1 1 39 39 LYS N N 39 120.011 120.011 118.857 1.154 17948 5432 1 12 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.183 0.092 17948 5433 1 12 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.845 0.055 17948 5434 1 12 . 1 1 39 39 LYS CB C 39 32.754 32.754 32.559 0.195 17948 5435 1 12 . 1 1 39 39 LYS H H 39 7.960 7.960 7.815 0.145 17948 5436 1 12 . 1 1 40 40 VAL N N 40 119.113 119.113 119.516 -0.403 17948 5437 1 12 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.274 -0.230 17948 5438 1 12 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.775 1.125 17948 5439 1 12 . 1 1 40 40 VAL CB C 40 32.500 32.500 34.241 -1.741 17948 5440 1 12 . 1 1 40 40 VAL H H 40 7.948 7.948 8.150 -0.202 17948 5441 1 12 . 1 1 41 41 ALA N N 41 125.220 125.220 128.282 -3.062 17948 5442 1 12 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.380 -0.086 17948 5443 1 12 . 1 1 41 41 ALA CA C 41 52.900 52.900 52.355 0.545 17948 5444 1 12 . 1 1 41 41 ALA CB C 41 19.100 19.100 18.530 0.570 17948 5445 1 12 . 1 1 41 41 ALA H H 41 8.168 8.168 8.465 -0.297 17948 5446 1 12 . 1 1 42 42 GLY N N 42 107.007 107.007 108.851 -1.844 17948 5447 1 12 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.004 0.397 17948 5448 1 12 . 1 1 42 42 GLY H H 42 8.130 8.130 8.590 -0.460 17948 5449 1 12 . 1 1 43 43 LYS N N 43 122.310 122.310 121.112 1.198 17948 5450 1 12 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.336 0.035 17948 5451 1 12 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.493 -0.493 17948 5452 1 12 . 1 1 43 43 LYS CB C 43 33.000 33.000 32.831 0.169 17948 5453 1 12 . 1 1 43 43 LYS H H 43 8.253 8.253 8.488 -0.235 17948 5454 1 12 . 1 1 44 44 VAL N N 44 120.734 120.734 118.373 2.361 17948 5455 1 12 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.683 0.457 17948 5456 1 12 . 1 1 44 44 VAL CA C 44 62.000 62.000 63.111 -1.111 17948 5457 1 12 . 1 1 44 44 VAL CB C 44 32.700 32.700 31.369 1.331 17948 5458 1 12 . 1 1 44 44 VAL H H 44 8.026 8.026 7.838 0.188 17948 5459 1 12 . 1 1 45 45 GLN N N 45 124.893 124.893 117.411 7.482 17948 5460 1 12 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.248 0.032 17948 5461 1 12 . 1 1 45 45 GLN CA C 45 53.400 53.400 55.707 -2.307 17948 5462 1 12 . 1 1 45 45 GLN CB C 45 29.000 29.000 27.511 1.489 17948 5463 1 12 . 1 1 45 45 GLN H H 45 8.385 8.385 8.344 0.041 17948 5464 1 12 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.391 -0.220 17948 5465 1 12 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.038 -1.238 17948 5466 1 12 . 1 1 46 46 PRO CB C 46 32.929 32.929 31.374 1.555 17948 5467 1 12 . 1 1 47 47 GLU N N 47 123.526 123.526 123.945 -0.419 17948 5468 1 12 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.355 -0.095 17948 5469 1 12 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.170 0.030 17948 5470 1 12 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.622 0.078 17948 5471 1 12 . 1 1 47 47 GLU H H 47 8.039 8.039 8.289 -0.250 17948 5472 1 12 . 1 1 48 48 ASP N N 48 122.131 122.131 123.569 -1.438 17948 5473 1 12 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.601 -0.003 17948 5474 1 12 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.411 1.919 17948 5475 1 12 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.575 -10.875 17948 5476 1 12 . 1 1 48 48 ASP H H 48 8.402 8.402 8.428 -0.026 17948 5477 1 12 . 1 1 49 49 ASN N N 49 121.154 121.154 119.204 1.950 17948 5478 1 12 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.646 0.054 17948 5479 1 12 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.125 -1.525 17948 5480 1 12 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.548 2.025 17948 5481 1 12 . 1 1 49 49 ASN H H 49 8.338 8.338 8.381 -0.043 17948 5482 1 12 . 1 1 50 50 LYS N N 50 120.660 120.660 121.843 -1.183 17948 5483 1 12 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.396 -0.097 17948 5484 1 12 . 1 1 50 50 LYS H H 50 8.247 8.247 8.499 -0.252 17948 5485 1 12 . 1 1 51 51 GLY N N 51 108.915 108.915 112.191 -3.276 17948 5486 1 12 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.692 0.708 17948 5487 1 12 . 1 1 51 51 GLY H H 51 8.320 8.320 8.183 0.137 17948 5488 1 12 . 1 1 52 52 VAL N N 52 118.906 118.906 117.850 1.056 17948 5489 1 12 . 1 1 52 52 VAL HA H 52 4.046 4.046 3.911 0.135 17948 5490 1 12 . 1 1 52 52 VAL CA C 52 62.400 62.400 62.467 -0.067 17948 5491 1 12 . 1 1 52 52 VAL CB C 52 32.500 32.500 31.872 0.628 17948 5492 1 12 . 1 1 52 52 VAL H H 52 7.836 7.836 7.736 0.100 17948 5493 1 12 . 1 1 53 53 PHE N N 53 123.002 123.002 117.870 5.132 17948 5494 1 12 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.261 0.387 17948 5495 1 12 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.569 -0.969 17948 5496 1 12 . 1 1 53 53 PHE CB C 53 39.400 39.400 37.895 1.505 17948 5497 1 12 . 1 1 53 53 PHE H H 53 8.284 8.284 7.601 0.683 17948 5498 1 12 . 1 1 54 54 GLN N N 54 122.278 122.278 117.640 4.638 17948 5499 1 12 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.453 -0.140 17948 5500 1 12 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.890 -0.090 17948 5501 1 12 . 1 1 54 54 GLN CB C 54 29.500 29.500 31.081 -1.581 17948 5502 1 12 . 1 1 54 54 GLN H H 54 8.223 8.223 8.794 -0.571 17948 5503 1 12 . 1 1 55 55 GLY N N 55 109.285 109.285 109.010 0.275 17948 5504 1 12 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.226 -0.026 17948 5505 1 12 . 1 1 55 55 GLY H H 55 7.900 7.900 8.283 -0.383 17948 5506 1 12 . 1 1 56 56 VAL H H 56 7.898 7.898 8.290 -0.392 17948 5507 1 12 . 1 1 57 57 HIS N N 57 120.411 120.411 120.877 -0.466 17948 5508 1 12 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.474 -0.225 17948 5509 1 12 . 1 1 57 57 HIS H H 57 8.529 8.529 8.126 0.403 17948 5510 1 12 . 1 1 58 58 ASP N N 58 120.960 120.960 119.055 1.905 17948 5511 1 12 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.676 -0.066 17948 5512 1 12 . 1 1 58 58 ASP H H 58 8.234 8.234 7.979 0.255 17948 5513 1 12 . 1 1 59 59 SER N N 59 116.391 116.391 117.020 -0.629 17948 5514 1 12 . 1 1 59 59 SER HA H 59 4.398 4.398 4.624 -0.226 17948 5515 1 12 . 1 1 59 59 SER CA C 59 58.500 58.500 56.735 1.765 17948 5516 1 12 . 1 1 59 59 SER CB C 59 63.700 63.700 61.751 1.949 17948 5517 1 12 . 1 1 59 59 SER H H 59 8.248 8.248 7.987 0.261 17948 5518 1 12 . 1 1 60 60 ALA N N 60 125.620 125.620 126.528 -0.908 17948 5519 1 12 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.246 0.062 17948 5520 1 12 . 1 1 60 60 ALA CA C 60 52.800 52.800 53.663 -0.863 17948 5521 1 12 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.630 -0.469 17948 5522 1 12 . 1 1 60 60 ALA H H 60 8.290 8.290 7.494 0.796 17948 5523 1 12 . 1 1 61 61 GLU N N 61 119.550 119.550 116.124 3.426 17948 5524 1 12 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.120 0.131 17948 5525 1 12 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.583 0.017 17948 5526 1 12 . 1 1 61 61 GLU CB C 61 30.100 30.100 28.602 1.498 17948 5527 1 12 . 1 1 61 61 GLU H H 61 8.206 8.206 8.319 -0.113 17948 5528 1 12 . 1 1 62 62 LYS N N 62 122.003 122.003 120.073 1.930 17948 5529 1 12 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.140 0.160 17948 5530 1 12 . 1 1 62 62 LYS CA C 62 56.800 56.800 57.171 -0.371 17948 5531 1 12 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.171 0.729 17948 5532 1 12 . 1 1 62 62 LYS H H 62 8.157 8.157 8.068 0.089 17948 5533 1 12 . 1 1 63 63 GLY N N 63 109.728 109.728 114.401 -4.673 17948 5534 1 12 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.804 0.496 17948 5535 1 12 . 1 1 63 63 GLY H H 63 8.371 8.371 8.181 0.190 17948 5536 1 12 . 1 1 64 64 LYS N N 64 120.537 120.537 121.651 -1.114 17948 5537 1 12 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.112 0.228 17948 5538 1 12 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.654 -0.454 17948 5539 1 12 . 1 1 64 64 LYS CB C 64 33.000 33.000 32.535 0.465 17948 5540 1 12 . 1 1 64 64 LYS H H 64 8.078 8.078 8.264 -0.186 17948 5541 1 12 . 1 1 65 65 ASP N N 65 120.981 120.981 121.489 -0.508 17948 5542 1 12 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.551 0.039 17948 5543 1 12 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.344 -0.044 17948 5544 1 12 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.798 -0.598 17948 5545 1 12 . 1 1 65 65 ASP H H 65 8.336 8.336 8.307 0.029 17948 5546 1 12 . 1 1 66 66 ASN N N 66 119.056 119.056 118.657 0.399 17948 5547 1 12 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.293 0.398 17948 5548 1 12 . 1 1 66 66 ASN CA C 66 53.200 53.200 54.812 -1.612 17948 5549 1 12 . 1 1 66 66 ASN CB C 66 39.000 39.000 37.877 1.123 17948 5550 1 12 . 1 1 66 66 ASN H H 66 8.280 8.280 8.657 -0.377 17948 5551 1 12 . 1 1 67 67 ALA N N 67 124.164 124.164 122.568 1.596 17948 5552 1 12 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.034 0.279 17948 5553 1 12 . 1 1 67 67 ALA CA C 67 52.724 52.724 53.081 -0.357 17948 5554 1 12 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.031 0.140 17948 5555 1 12 . 1 1 67 67 ALA H H 67 8.248 8.248 8.066 0.182 17948 5556 1 12 . 1 1 68 68 GLU N N 68 119.599 119.599 121.605 -2.006 17948 5557 1 12 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.499 -0.217 17948 5558 1 12 . 1 1 68 68 GLU CA C 68 56.812 56.812 54.757 2.055 17948 5559 1 12 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.217 -1.091 17948 5560 1 12 . 1 1 68 68 GLU H H 68 8.295 8.295 8.359 -0.064 17948 5561 1 12 . 1 1 69 69 GLY N N 69 109.616 109.616 106.724 2.892 17948 5562 1 12 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.164 0.276 17948 5563 1 12 . 1 1 69 69 GLY H H 69 8.348 8.348 8.355 -0.007 17948 5564 1 12 . 1 1 70 70 GLN N N 70 119.476 119.476 120.216 -0.740 17948 5565 1 12 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.193 0.195 17948 5566 1 12 . 1 1 70 70 GLN CA C 70 55.860 55.860 57.025 -1.165 17948 5567 1 12 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.246 0.254 17948 5568 1 12 . 1 1 70 70 GLN H H 70 8.200 8.200 8.221 -0.021 17948 5569 1 12 . 1 1 71 71 GLY N N 71 109.928 109.928 109.883 0.045 17948 5570 1 12 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.186 0.174 17948 5571 1 12 . 1 1 71 71 GLY H H 71 8.438 8.438 8.293 0.145 17948 5572 1 12 . 1 1 72 72 GLU N N 72 120.438 120.438 121.631 -1.193 17948 5573 1 12 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.534 -0.136 17948 5574 1 12 . 1 1 72 72 GLU CA C 72 56.400 56.400 55.811 0.589 17948 5575 1 12 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.476 1.224 17948 5576 1 12 . 1 1 72 72 GLU H H 72 8.296 8.296 8.597 -0.301 17948 5577 1 12 . 1 1 73 73 SER N N 73 117.699 117.699 117.398 0.301 17948 5578 1 12 . 1 1 73 73 SER HA H 73 4.601 4.601 4.169 0.432 17948 5579 1 12 . 1 1 73 73 SER CA C 73 58.011 58.011 61.080 -3.069 17948 5580 1 12 . 1 1 73 73 SER CB C 73 64.816 64.816 63.073 1.743 17948 5581 1 12 . 1 1 73 73 SER H H 73 8.666 8.666 8.081 0.585 17948 5582 1 12 . 1 1 74 74 LEU N N 74 125.422 125.422 120.867 4.555 17948 5583 1 12 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.009 0.232 17948 5584 1 12 . 1 1 74 74 LEU CA C 74 57.723 57.723 57.248 0.475 17948 5585 1 12 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.762 0.393 17948 5586 1 12 . 1 1 74 74 LEU H H 74 8.899 8.899 8.200 0.699 17948 5587 1 12 . 1 1 75 75 ALA N N 75 120.685 120.685 121.485 -0.800 17948 5588 1 12 . 1 1 75 75 ALA HA H 75 4.021 4.021 4.039 -0.018 17948 5589 1 12 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.233 -0.433 17948 5590 1 12 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.160 0.440 17948 5591 1 12 . 1 1 75 75 ALA H H 75 8.389 8.389 8.291 0.098 17948 5592 1 12 . 1 1 76 76 ASP N N 76 117.754 117.754 119.538 -1.784 17948 5593 1 12 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.391 0.043 17948 5594 1 12 . 1 1 76 76 ASP CA C 76 56.700 56.700 56.947 -0.247 17948 5595 1 12 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.740 -0.057 17948 5596 1 12 . 1 1 76 76 ASP H H 76 7.777 7.777 7.718 0.059 17948 5597 1 12 . 1 1 77 77 GLN N N 77 119.402 119.402 118.568 0.834 17948 5598 1 12 . 1 1 77 77 GLN HA H 77 4.221 4.221 3.988 0.233 17948 5599 1 12 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.763 -0.919 17948 5600 1 12 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.566 1.036 17948 5601 1 12 . 1 1 77 77 GLN H H 77 8.038 8.038 7.790 0.248 17948 5602 1 12 . 1 1 78 78 ALA N N 78 121.376 121.376 122.146 -0.770 17948 5603 1 12 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.158 0.013 17948 5604 1 12 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.713 -0.163 17948 5605 1 12 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.260 0.594 17948 5606 1 12 . 1 1 78 78 ALA H H 78 8.427 8.427 7.648 0.779 17948 5607 1 12 . 1 1 79 79 ARG N N 79 117.905 117.905 119.058 -1.153 17948 5608 1 12 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.098 -0.080 17948 5609 1 12 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.705 0.589 17948 5610 1 12 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.787 0.372 17948 5611 1 12 . 1 1 79 79 ARG H H 79 8.031 8.031 7.741 0.290 17948 5612 1 12 . 1 1 80 80 ASP N N 80 120.290 120.290 119.927 0.363 17948 5613 1 12 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.514 0.047 17948 5614 1 12 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.439 -1.163 17948 5615 1 12 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.878 -0.378 17948 5616 1 12 . 1 1 80 80 ASP H H 80 8.126 8.126 8.133 -0.007 17948 5617 1 12 . 1 1 81 81 TYR N N 81 120.191 120.191 120.172 0.019 17948 5618 1 12 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.282 0.058 17948 5619 1 12 . 1 1 81 81 TYR CA C 81 61.119 61.119 61.212 -0.093 17948 5620 1 12 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.786 -0.286 17948 5621 1 12 . 1 1 81 81 TYR H H 81 8.250 8.250 7.627 0.623 17948 5622 1 12 . 1 1 82 82 MET N N 82 117.996 117.996 118.860 -0.864 17948 5623 1 12 . 1 1 82 82 MET HA H 82 4.222 4.222 4.015 0.207 17948 5624 1 12 . 1 1 82 82 MET CA C 82 58.618 58.618 59.789 -1.171 17948 5625 1 12 . 1 1 82 82 MET CB C 82 32.875 32.875 32.316 0.559 17948 5626 1 12 . 1 1 82 82 MET H H 82 8.354 8.354 8.438 -0.084 17948 5627 1 12 . 1 1 83 83 GLY N N 83 106.902 106.902 104.649 2.253 17948 5628 1 12 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.214 -0.014 17948 5629 1 12 . 1 1 83 83 GLY H H 83 8.365 8.365 7.835 0.530 17948 5630 1 12 . 1 1 84 84 ALA N N 84 124.830 124.830 123.263 1.567 17948 5631 1 12 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.273 0.045 17948 5632 1 12 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.866 0.412 17948 5633 1 12 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.151 0.418 17948 5634 1 12 . 1 1 84 84 ALA H H 84 7.950 7.950 7.267 0.683 17948 5635 1 12 . 1 1 85 85 ALA N N 85 120.542 120.542 121.188 -0.646 17948 5636 1 12 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.994 0.043 17948 5637 1 12 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.961 0.018 17948 5638 1 12 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.273 0.227 17948 5639 1 12 . 1 1 85 85 ALA H H 85 8.274 8.274 8.114 0.160 17948 5640 1 12 . 1 1 86 86 LYS N N 86 116.920 116.920 118.892 -1.972 17948 5641 1 12 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.982 -0.095 17948 5642 1 12 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.691 1.369 17948 5643 1 12 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.663 0.637 17948 5644 1 12 . 1 1 86 86 LYS H H 86 8.265 8.265 7.632 0.633 17948 5645 1 12 . 1 1 87 87 SER N N 87 113.664 113.664 115.327 -1.663 17948 5646 1 12 . 1 1 87 87 SER HA H 87 4.312 4.312 4.138 0.174 17948 5647 1 12 . 1 1 87 87 SER CA C 87 61.330 61.330 61.233 0.097 17948 5648 1 12 . 1 1 87 87 SER CB C 87 62.900 62.900 62.885 0.015 17948 5649 1 12 . 1 1 87 87 SER H H 87 7.926 7.926 7.745 0.181 17948 5650 1 12 . 1 1 88 88 LYS N N 88 120.310 120.310 120.867 -0.557 17948 5651 1 12 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.052 0.334 17948 5652 1 12 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.148 -1.804 17948 5653 1 12 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.392 -0.592 17948 5654 1 12 . 1 1 88 88 LYS H H 88 7.859 7.859 7.691 0.168 17948 5655 1 12 . 1 1 89 89 LEU N N 89 119.648 119.648 121.620 -1.972 17948 5656 1 12 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.960 0.141 17948 5657 1 12 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.743 0.324 17948 5658 1 12 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.931 0.569 17948 5659 1 12 . 1 1 89 89 LEU H H 89 8.158 8.158 7.807 0.351 17948 5660 1 12 . 1 1 90 90 ASN N N 90 117.422 117.422 117.119 0.303 17948 5661 1 12 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.345 0.053 17948 5662 1 12 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.841 0.218 17948 5663 1 12 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.319 0.181 17948 5664 1 12 . 1 1 90 90 ASN H H 90 8.240 8.240 7.892 0.348 17948 5665 1 12 . 1 1 91 91 ASP N N 91 119.945 119.945 119.032 0.913 17948 5666 1 12 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.413 0.028 17948 5667 1 12 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.813 -0.469 17948 5668 1 12 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.813 -0.513 17948 5669 1 12 . 1 1 91 91 ASP H H 91 8.111 8.111 7.547 0.564 17948 5670 1 12 . 1 1 92 92 ALA N N 92 123.226 123.226 122.342 0.884 17948 5671 1 12 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.149 0.025 17948 5672 1 12 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.857 0.516 17948 5673 1 12 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.420 -0.120 17948 5674 1 12 . 1 1 92 92 ALA H H 92 8.240 8.240 7.471 0.769 17948 5675 1 12 . 1 1 93 93 VAL N N 93 117.940 117.940 119.797 -1.857 17948 5676 1 12 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.560 0.039 17948 5677 1 12 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.270 -0.377 17948 5678 1 12 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.151 0.462 17948 5679 1 12 . 1 1 93 93 VAL H H 93 8.410 8.410 8.076 0.334 17948 5680 1 12 . 1 1 94 94 GLU N N 94 120.610 120.610 119.253 1.357 17948 5681 1 12 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.921 0.129 17948 5682 1 12 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.751 -0.151 17948 5683 1 12 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.687 -0.087 17948 5684 1 12 . 1 1 94 94 GLU H H 94 8.289 8.289 7.878 0.411 17948 5685 1 12 . 1 1 95 95 TYR N N 95 120.241 120.241 119.221 1.020 17948 5686 1 12 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.228 0.042 17948 5687 1 12 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.690 -0.390 17948 5688 1 12 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.819 -0.119 17948 5689 1 12 . 1 1 95 95 TYR H H 95 8.186 8.186 7.403 0.783 17948 5690 1 12 . 1 1 96 96 VAL N N 96 116.942 116.942 118.228 -1.286 17948 5691 1 12 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.497 0.049 17948 5692 1 12 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.644 -0.574 17948 5693 1 12 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.663 0.082 17948 5694 1 12 . 1 1 96 96 VAL H H 96 8.394 8.394 8.217 0.177 17948 5695 1 12 . 1 1 97 97 SER N N 97 113.924 113.924 115.138 -1.214 17948 5696 1 12 . 1 1 97 97 SER HA H 97 4.145 4.145 4.211 -0.066 17948 5697 1 12 . 1 1 97 97 SER CA C 97 61.393 61.393 61.228 0.165 17948 5698 1 12 . 1 1 97 97 SER CB C 97 63.415 63.415 62.726 0.689 17948 5699 1 12 . 1 1 97 97 SER H H 97 8.433 8.433 8.660 -0.227 17948 5700 1 12 . 1 1 98 98 GLY N N 98 107.509 107.509 108.463 -0.954 17948 5701 1 12 . 1 1 98 98 GLY CA C 98 46.298 46.298 45.964 0.334 17948 5702 1 12 . 1 1 98 98 GLY H H 98 7.899 7.899 7.583 0.316 17948 5703 1 12 . 1 1 99 99 ARG N N 99 119.471 119.471 119.537 -0.066 17948 5704 1 12 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.329 -0.061 17948 5705 1 12 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.139 0.388 17948 5706 1 12 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.740 -0.440 17948 5707 1 12 . 1 1 99 99 ARG H H 99 7.696 7.696 7.689 0.007 17948 5708 1 12 . 1 1 100 100 VAL N N 100 117.316 117.316 121.846 -4.530 17948 5709 1 12 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.993 -0.033 17948 5710 1 12 . 1 1 100 100 VAL CA C 100 63.400 63.400 62.538 0.862 17948 5711 1 12 . 1 1 100 100 VAL CB C 100 32.320 32.320 29.677 2.643 17948 5712 1 12 . 1 1 100 100 VAL H H 100 7.906 7.906 7.465 0.441 17948 5713 1 12 . 1 1 101 101 HIS N N 101 119.155 119.155 123.143 -3.988 17948 5714 1 12 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.291 0.410 17948 5715 1 12 . 1 1 101 101 HIS CA C 101 56.200 56.200 58.177 -1.977 17948 5716 1 12 . 1 1 101 101 HIS CB C 101 30.048 30.048 30.309 -0.261 17948 5717 1 12 . 1 1 101 101 HIS H H 101 8.130 8.130 8.358 -0.228 17948 5718 1 12 . 1 1 102 102 GLY N N 102 109.145 109.145 106.444 2.701 17948 5719 1 12 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.385 -0.052 17948 5720 1 12 . 1 1 102 102 GLY H H 102 8.086 8.086 8.138 -0.052 17948 5721 1 12 . 1 1 103 103 GLU N N 103 119.345 119.345 120.837 -1.492 17948 5722 1 12 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.402 -0.072 17948 5723 1 12 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.397 5.904 17948 5724 1 12 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.982 0.773 17948 5725 1 12 . 1 1 103 103 GLU H H 103 7.932 7.932 8.450 -0.518 17948 5726 1 12 . 1 1 104 104 GLU N N 104 122.105 122.105 119.596 2.509 17948 5727 1 12 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.639 -0.367 17948 5728 1 12 . 1 1 104 104 GLU CA C 104 56.232 56.232 55.671 0.561 17948 5729 1 12 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.215 -0.715 17948 5730 1 12 . 1 1 104 104 GLU H H 104 8.325 8.325 8.547 -0.222 17948 5731 1 12 . 1 1 105 105 ASP N N 105 124.188 124.188 118.443 5.745 17948 5732 1 12 . 1 1 105 105 ASP HA H 105 4.610 4.610 5.148 -0.538 17948 5733 1 12 . 1 1 105 105 ASP CA C 105 54.520 54.520 52.270 2.251 17948 5734 1 12 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.435 -0.735 17948 5735 1 12 . 1 1 105 105 ASP H H 105 8.077 8.077 8.637 -0.560 17948 5736 1 12 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.521 -0.037 17948 5737 1 12 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.996 0.828 17948 5738 1 12 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.198 0.002 17948 5739 1 12 . 1 1 107 107 THR N N 107 111.950 111.950 113.402 -1.452 17948 5740 1 12 . 1 1 107 107 THR HA H 107 4.273 4.273 4.445 -0.172 17948 5741 1 12 . 1 1 107 107 THR CA C 107 62.700 62.700 61.925 0.775 17948 5742 1 12 . 1 1 107 107 THR CB C 107 69.400 69.400 70.399 -0.999 17948 5743 1 12 . 1 1 107 107 THR H H 107 8.339 8.339 8.612 -0.273 17948 5744 1 12 . 1 1 108 108 LYS N N 108 123.349 123.349 123.218 0.131 17948 5745 1 12 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.428 -0.071 17948 5746 1 12 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.635 -0.635 17948 5747 1 12 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.739 0.061 17948 5748 1 12 . 1 1 108 108 LYS H H 108 7.727 7.727 8.686 -0.959 17948 5749 1 13 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.460 0.150 17948 5750 1 13 . 1 1 3 3 ASP H H 3 8.330 8.330 8.126 0.204 17948 5751 1 13 . 1 1 4 4 ALA N N 4 124.218 124.218 122.619 1.599 17948 5752 1 13 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.393 -0.133 17948 5753 1 13 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.307 0.693 17948 5754 1 13 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.917 -0.952 17948 5755 1 13 . 1 1 4 4 ALA H H 4 8.180 8.180 8.169 0.011 17948 5756 1 13 . 1 1 5 5 GLY N N 5 107.349 107.349 106.194 1.155 17948 5757 1 13 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.496 0.604 17948 5758 1 13 . 1 1 5 5 GLY H H 5 8.344 8.344 8.217 0.127 17948 5759 1 13 . 1 1 6 6 ARG N N 6 119.351 119.351 119.304 0.047 17948 5760 1 13 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.192 0.078 17948 5761 1 13 . 1 1 6 6 ARG H H 6 7.971 7.971 8.124 -0.153 17948 5762 1 13 . 1 1 7 7 LYS N N 7 122.700 122.700 122.235 0.465 17948 5763 1 13 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.477 -0.197 17948 5764 1 13 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.664 -0.264 17948 5765 1 13 . 1 1 7 7 LYS CB C 7 32.900 32.900 33.392 -0.492 17948 5766 1 13 . 1 1 7 7 LYS H H 7 8.034 8.034 8.482 -0.448 17948 5767 1 13 . 1 1 8 8 GLY H H 8 8.340 8.340 8.282 0.058 17948 5768 1 13 . 1 1 9 9 PHE N N 9 122.017 122.017 123.045 -1.028 17948 5769 1 13 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.799 -0.179 17948 5770 1 13 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.520 -2.520 17948 5771 1 13 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.934 0.016 17948 5772 1 13 . 1 1 9 9 PHE H H 9 8.093 8.093 8.863 -0.770 17948 5773 1 13 . 1 1 10 10 GLY N N 10 120.389 120.389 105.676 14.713 17948 5774 1 13 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.426 1.128 17948 5775 1 13 . 1 1 10 10 GLY H H 10 7.996 7.996 8.190 -0.194 17948 5776 1 13 . 1 1 11 11 GLU N N 11 120.847 120.847 118.950 1.897 17948 5777 1 13 . 1 1 11 11 GLU HA H 11 4.260 4.260 3.999 0.261 17948 5778 1 13 . 1 1 11 11 GLU CA C 11 57.061 57.061 57.539 -0.478 17948 5779 1 13 . 1 1 11 11 GLU CB C 11 30.200 30.200 28.757 1.443 17948 5780 1 13 . 1 1 11 11 GLU H H 11 8.168 8.168 8.561 -0.393 17948 5781 1 13 . 1 1 12 12 LYS N N 12 121.524 121.524 118.069 3.455 17948 5782 1 13 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.336 -0.056 17948 5783 1 13 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.317 0.235 17948 5784 1 13 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.443 -0.643 17948 5785 1 13 . 1 1 12 12 LYS H H 12 8.273 8.273 8.589 -0.316 17948 5786 1 13 . 1 1 13 13 ALA N N 13 124.765 124.765 122.258 2.507 17948 5787 1 13 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.459 -0.199 17948 5788 1 13 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.172 0.883 17948 5789 1 13 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.248 -0.348 17948 5790 1 13 . 1 1 13 13 ALA H H 13 8.288 8.288 7.990 0.298 17948 5791 1 13 . 1 1 14 14 SER N N 14 114.047 114.047 114.526 -0.479 17948 5792 1 13 . 1 1 14 14 SER HA H 14 4.342 4.342 4.895 -0.553 17948 5793 1 13 . 1 1 14 14 SER CA C 14 58.918 58.918 57.621 1.297 17948 5794 1 13 . 1 1 14 14 SER CB C 14 63.539 63.539 65.856 -2.317 17948 5795 1 13 . 1 1 14 14 SER H H 14 8.145 8.145 7.926 0.219 17948 5796 1 13 . 1 1 15 15 GLU N N 15 122.145 122.145 119.526 2.619 17948 5797 1 13 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.342 -0.082 17948 5798 1 13 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.181 -8.164 17948 5799 1 13 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.221 0.120 17948 5800 1 13 . 1 1 15 15 GLU H H 15 8.223 8.223 8.642 -0.419 17948 5801 1 13 . 1 1 16 16 ALA N N 16 123.491 123.491 122.572 0.919 17948 5802 1 13 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.201 0.083 17948 5803 1 13 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.374 0.126 17948 5804 1 13 . 1 1 16 16 ALA CB C 16 19.200 19.200 18.524 0.676 17948 5805 1 13 . 1 1 16 16 ALA H H 16 8.033 8.033 8.176 -0.143 17948 5806 1 13 . 1 1 17 17 LEU N N 17 120.066 120.066 122.889 -2.823 17948 5807 1 13 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.440 -0.106 17948 5808 1 13 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.655 -0.755 17948 5809 1 13 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.571 -0.271 17948 5810 1 13 . 1 1 17 17 LEU H H 17 7.901 7.901 8.192 -0.291 17948 5811 1 13 . 1 1 18 18 LYS N N 18 122.658 122.658 120.450 2.208 17948 5812 1 13 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.696 -0.415 17948 5813 1 13 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.195 -0.195 17948 5814 1 13 . 1 1 18 18 LYS CB C 18 32.637 32.637 32.558 0.079 17948 5815 1 13 . 1 1 18 18 LYS H H 18 8.081 8.081 7.824 0.257 17948 5816 1 13 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.405 0.022 17948 5817 1 13 . 1 1 19 19 PRO CA C 19 63.300 63.300 62.569 0.731 17948 5818 1 13 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.104 -0.204 17948 5819 1 13 . 1 1 20 20 ASP N N 20 119.912 119.912 118.972 0.940 17948 5820 1 13 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.712 -0.141 17948 5821 1 13 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.743 0.757 17948 5822 1 13 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.426 -0.526 17948 5823 1 13 . 1 1 20 20 ASP H H 20 8.398 8.398 8.276 0.122 17948 5824 1 13 . 1 1 21 21 SER N N 21 115.552 115.552 116.395 -0.843 17948 5825 1 13 . 1 1 21 21 SER HA H 21 4.513 4.513 4.353 0.160 17948 5826 1 13 . 1 1 21 21 SER CA C 21 58.726 58.726 59.005 -0.279 17948 5827 1 13 . 1 1 21 21 SER CB C 21 63.709 63.709 64.266 -0.557 17948 5828 1 13 . 1 1 21 21 SER H H 21 8.113 8.113 8.132 -0.019 17948 5829 1 13 . 1 1 22 22 GLN N N 22 119.920 119.920 122.644 -2.724 17948 5830 1 13 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.137 0.143 17948 5831 1 13 . 1 1 22 22 GLN H H 22 8.224 8.224 8.220 0.004 17948 5832 1 13 . 1 1 23 23 LYS N N 23 121.734 121.734 121.051 0.683 17948 5833 1 13 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.010 0.270 17948 5834 1 13 . 1 1 23 23 LYS CA C 23 56.173 56.173 57.529 -1.356 17948 5835 1 13 . 1 1 23 23 LYS CB C 23 30.593 30.593 32.609 -2.016 17948 5836 1 13 . 1 1 23 23 LYS H H 23 8.415 8.415 8.620 -0.204 17948 5837 1 13 . 1 1 24 24 SER N N 24 126.408 126.408 114.696 11.712 17948 5838 1 13 . 1 1 24 24 SER HA H 24 4.510 4.510 4.325 0.185 17948 5839 1 13 . 1 1 24 24 SER CA C 24 57.341 57.341 57.764 -0.423 17948 5840 1 13 . 1 1 24 24 SER CB C 24 63.800 63.800 63.084 0.716 17948 5841 1 13 . 1 1 24 24 SER H H 24 7.595 7.595 8.420 -0.825 17948 5842 1 13 . 1 1 25 25 TYR N N 25 120.790 120.790 117.841 2.949 17948 5843 1 13 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.180 0.276 17948 5844 1 13 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.324 1.412 17948 5845 1 13 . 1 1 25 25 TYR CB C 25 38.069 38.069 37.453 0.616 17948 5846 1 13 . 1 1 25 25 TYR H H 25 8.370 8.370 7.808 0.562 17948 5847 1 13 . 1 1 26 26 ALA N N 26 122.684 122.684 126.369 -3.685 17948 5848 1 13 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.364 -0.200 17948 5849 1 13 . 1 1 26 26 ALA CA C 26 54.000 54.000 51.684 2.316 17948 5850 1 13 . 1 1 26 26 ALA CB C 26 18.900 18.900 20.663 -1.763 17948 5851 1 13 . 1 1 26 26 ALA H H 26 8.405 8.405 8.167 0.238 17948 5852 1 13 . 1 1 27 27 GLU N N 27 118.504 118.504 124.025 -5.521 17948 5853 1 13 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.531 -0.415 17948 5854 1 13 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.054 1.946 17948 5855 1 13 . 1 1 27 27 GLU CB C 27 30.000 30.000 30.370 -0.370 17948 5856 1 13 . 1 1 27 27 GLU H H 27 7.988 7.988 8.564 -0.576 17948 5857 1 13 . 1 1 28 28 GLN N N 28 119.735 119.735 123.384 -3.649 17948 5858 1 13 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.455 -0.231 17948 5859 1 13 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.432 2.167 17948 5860 1 13 . 1 1 28 28 GLN CB C 28 29.400 29.400 29.469 -0.069 17948 5861 1 13 . 1 1 28 28 GLN H H 28 8.282 8.282 8.367 -0.085 17948 5862 1 13 . 1 1 29 29 GLY N N 29 108.734 108.734 108.699 0.035 17948 5863 1 13 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.372 1.028 17948 5864 1 13 . 1 1 29 29 GLY H H 29 8.645 8.645 8.434 0.211 17948 5865 1 13 . 1 1 30 30 LYS N N 30 120.800 120.800 121.104 -0.304 17948 5866 1 13 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.036 0.244 17948 5867 1 13 . 1 1 30 30 LYS CA C 30 57.992 57.992 57.085 0.907 17948 5868 1 13 . 1 1 30 30 LYS CB C 30 29.800 29.800 31.336 -1.536 17948 5869 1 13 . 1 1 30 30 LYS H H 30 8.140 8.140 8.403 -0.263 17948 5870 1 13 . 1 1 31 31 GLU N N 31 119.994 119.994 121.316 -1.322 17948 5871 1 13 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.472 -0.212 17948 5872 1 13 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.910 3.490 17948 5873 1 13 . 1 1 31 31 GLU CB C 31 32.521 32.521 32.488 0.033 17948 5874 1 13 . 1 1 31 31 GLU H H 31 8.039 8.039 8.272 -0.233 17948 5875 1 13 . 1 1 32 32 TYR N N 32 119.254 119.254 124.234 -4.980 17948 5876 1 13 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.838 -0.208 17948 5877 1 13 . 1 1 32 32 TYR CA C 32 58.020 58.020 58.100 -0.080 17948 5878 1 13 . 1 1 32 32 TYR CB C 32 39.160 39.160 38.777 0.383 17948 5879 1 13 . 1 1 32 32 TYR H H 32 7.994 7.994 8.841 -0.847 17948 5880 1 13 . 1 1 33 33 ILE N N 33 121.600 121.600 120.972 0.628 17948 5881 1 13 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.283 -0.259 17948 5882 1 13 . 1 1 33 33 ILE CA C 33 62.100 62.100 60.858 1.242 17948 5883 1 13 . 1 1 33 33 ILE CB C 33 38.300 38.300 38.823 -0.523 17948 5884 1 13 . 1 1 33 33 ILE H H 33 8.260 8.260 7.826 0.434 17948 5885 1 13 . 1 1 34 34 THR N N 34 115.849 115.849 115.422 0.427 17948 5886 1 13 . 1 1 34 34 THR HA H 34 4.480 4.480 3.956 0.524 17948 5887 1 13 . 1 1 34 34 THR CA C 34 63.600 63.600 62.491 1.109 17948 5888 1 13 . 1 1 34 34 THR CB C 34 69.300 69.300 69.104 0.196 17948 5889 1 13 . 1 1 34 34 THR H H 34 8.082 8.082 8.233 -0.151 17948 5890 1 13 . 1 1 35 35 ASP N N 35 122.190 122.190 118.642 3.548 17948 5891 1 13 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.407 0.147 17948 5892 1 13 . 1 1 35 35 ASP CA C 35 55.400 55.400 55.257 0.143 17948 5893 1 13 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.545 -0.045 17948 5894 1 13 . 1 1 35 35 ASP H H 35 8.102 8.102 8.053 0.049 17948 5895 1 13 . 1 1 36 36 LYS N N 36 119.451 119.451 119.803 -0.352 17948 5896 1 13 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.498 -0.288 17948 5897 1 13 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.737 0.763 17948 5898 1 13 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.407 -1.907 17948 5899 1 13 . 1 1 36 36 LYS H H 36 7.983 7.983 8.203 -0.220 17948 5900 1 13 . 1 1 37 37 ALA N N 37 123.038 123.038 124.011 -0.973 17948 5901 1 13 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.502 -0.321 17948 5902 1 13 . 1 1 37 37 ALA CA C 37 53.600 53.600 51.916 1.684 17948 5903 1 13 . 1 1 37 37 ALA CB C 37 18.800 18.800 20.096 -1.296 17948 5904 1 13 . 1 1 37 37 ALA H H 37 8.241 8.241 8.255 -0.014 17948 5905 1 13 . 1 1 38 38 ASP N N 38 118.323 118.323 121.604 -3.281 17948 5906 1 13 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.765 -0.261 17948 5907 1 13 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.928 0.172 17948 5908 1 13 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.099 -0.098 17948 5909 1 13 . 1 1 38 38 ASP H H 38 8.144 8.144 8.396 -0.252 17948 5910 1 13 . 1 1 39 39 LYS N N 39 120.011 120.011 122.646 -2.635 17948 5911 1 13 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.474 -0.199 17948 5912 1 13 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.583 0.317 17948 5913 1 13 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.242 -0.488 17948 5914 1 13 . 1 1 39 39 LYS H H 39 7.960 7.960 8.229 -0.269 17948 5915 1 13 . 1 1 40 40 VAL N N 40 119.113 119.113 120.479 -1.366 17948 5916 1 13 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.230 -0.186 17948 5917 1 13 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.674 0.226 17948 5918 1 13 . 1 1 40 40 VAL CB C 40 32.500 32.500 31.884 0.616 17948 5919 1 13 . 1 1 40 40 VAL H H 40 7.948 7.948 8.407 -0.459 17948 5920 1 13 . 1 1 41 41 ALA N N 41 125.220 125.220 124.233 0.987 17948 5921 1 13 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.232 0.062 17948 5922 1 13 . 1 1 41 41 ALA CA C 41 52.900 52.900 52.180 0.720 17948 5923 1 13 . 1 1 41 41 ALA CB C 41 19.100 19.100 18.302 0.798 17948 5924 1 13 . 1 1 41 41 ALA H H 41 8.168 8.168 8.115 0.053 17948 5925 1 13 . 1 1 42 42 GLY N N 42 107.007 107.007 109.210 -2.203 17948 5926 1 13 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.220 0.180 17948 5927 1 13 . 1 1 42 42 GLY H H 42 8.130 8.130 8.422 -0.292 17948 5928 1 13 . 1 1 43 43 LYS N N 43 122.310 122.310 118.933 3.377 17948 5929 1 13 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.559 -0.188 17948 5930 1 13 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.244 -0.244 17948 5931 1 13 . 1 1 43 43 LYS CB C 43 33.000 33.000 34.448 -1.448 17948 5932 1 13 . 1 1 43 43 LYS H H 43 8.253 8.253 8.380 -0.127 17948 5933 1 13 . 1 1 44 44 VAL N N 44 120.734 120.734 119.435 1.299 17948 5934 1 13 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.314 -0.174 17948 5935 1 13 . 1 1 44 44 VAL CA C 44 62.000 62.000 63.013 -1.013 17948 5936 1 13 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.494 0.206 17948 5937 1 13 . 1 1 44 44 VAL H H 44 8.026 8.026 7.819 0.207 17948 5938 1 13 . 1 1 45 45 GLN N N 45 124.893 124.893 120.096 4.797 17948 5939 1 13 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.153 0.127 17948 5940 1 13 . 1 1 45 45 GLN CA C 45 53.400 53.400 55.699 -2.299 17948 5941 1 13 . 1 1 45 45 GLN CB C 45 29.000 29.000 27.855 1.145 17948 5942 1 13 . 1 1 45 45 GLN H H 45 8.385 8.385 8.383 0.002 17948 5943 1 13 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.291 -0.120 17948 5944 1 13 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.831 -2.031 17948 5945 1 13 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.060 0.869 17948 5946 1 13 . 1 1 47 47 GLU N N 47 123.526 123.526 119.024 4.502 17948 5947 1 13 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.220 0.040 17948 5948 1 13 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.369 -0.169 17948 5949 1 13 . 1 1 47 47 GLU CB C 47 30.700 30.700 29.388 1.312 17948 5950 1 13 . 1 1 47 47 GLU H H 47 8.039 8.039 8.305 -0.266 17948 5951 1 13 . 1 1 48 48 ASP N N 48 122.131 122.131 121.758 0.373 17948 5952 1 13 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.456 0.142 17948 5953 1 13 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.642 1.688 17948 5954 1 13 . 1 1 48 48 ASP CB C 48 30.700 30.700 40.842 -10.142 17948 5955 1 13 . 1 1 48 48 ASP H H 48 8.402 8.402 8.685 -0.283 17948 5956 1 13 . 1 1 49 49 ASN N N 49 121.154 121.154 114.846 6.308 17948 5957 1 13 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.367 0.333 17948 5958 1 13 . 1 1 49 49 ASN CA C 49 51.600 51.600 54.319 -2.719 17948 5959 1 13 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.106 2.467 17948 5960 1 13 . 1 1 49 49 ASN H H 49 8.338 8.338 8.023 0.315 17948 5961 1 13 . 1 1 50 50 LYS N N 50 120.660 120.660 120.973 -0.313 17948 5962 1 13 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.538 -0.239 17948 5963 1 13 . 1 1 50 50 LYS H H 50 8.247 8.247 8.503 -0.256 17948 5964 1 13 . 1 1 51 51 GLY N N 51 108.915 108.915 108.415 0.500 17948 5965 1 13 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.758 0.642 17948 5966 1 13 . 1 1 51 51 GLY H H 51 8.320 8.320 8.400 -0.080 17948 5967 1 13 . 1 1 52 52 VAL N N 52 118.906 118.906 120.440 -1.534 17948 5968 1 13 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.300 -0.254 17948 5969 1 13 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.779 0.621 17948 5970 1 13 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.286 -0.786 17948 5971 1 13 . 1 1 52 52 VAL H H 52 7.836 7.836 8.003 -0.167 17948 5972 1 13 . 1 1 53 53 PHE N N 53 123.002 123.002 124.425 -1.423 17948 5973 1 13 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.928 -0.280 17948 5974 1 13 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.542 0.058 17948 5975 1 13 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.667 -1.267 17948 5976 1 13 . 1 1 53 53 PHE H H 53 8.284 8.284 7.741 0.543 17948 5977 1 13 . 1 1 54 54 GLN N N 54 122.278 122.278 120.319 1.959 17948 5978 1 13 . 1 1 54 54 GLN HA H 54 4.313 4.313 5.036 -0.723 17948 5979 1 13 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.684 0.116 17948 5980 1 13 . 1 1 54 54 GLN CB C 54 29.500 29.500 31.708 -2.208 17948 5981 1 13 . 1 1 54 54 GLN H H 54 8.223 8.223 9.510 -1.287 17948 5982 1 13 . 1 1 55 55 GLY N N 55 109.285 109.285 108.307 0.978 17948 5983 1 13 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.354 -0.154 17948 5984 1 13 . 1 1 55 55 GLY H H 55 7.900 7.900 8.558 -0.658 17948 5985 1 13 . 1 1 56 56 VAL H H 56 7.898 7.898 8.117 -0.219 17948 5986 1 13 . 1 1 57 57 HIS N N 57 120.411 120.411 123.308 -2.897 17948 5987 1 13 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.881 -0.632 17948 5988 1 13 . 1 1 57 57 HIS H H 57 8.529 8.529 8.410 0.119 17948 5989 1 13 . 1 1 58 58 ASP N N 58 120.960 120.960 122.359 -1.399 17948 5990 1 13 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.801 -0.191 17948 5991 1 13 . 1 1 58 58 ASP H H 58 8.234 8.234 8.101 0.134 17948 5992 1 13 . 1 1 59 59 SER N N 59 116.391 116.391 114.521 1.870 17948 5993 1 13 . 1 1 59 59 SER HA H 59 4.398 4.398 4.580 -0.182 17948 5994 1 13 . 1 1 59 59 SER CA C 59 58.500 58.500 57.735 0.765 17948 5995 1 13 . 1 1 59 59 SER CB C 59 63.700 63.700 64.775 -1.075 17948 5996 1 13 . 1 1 59 59 SER H H 59 8.248 8.248 8.207 0.041 17948 5997 1 13 . 1 1 60 60 ALA N N 60 125.620 125.620 124.999 0.621 17948 5998 1 13 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.680 -0.372 17948 5999 1 13 . 1 1 60 60 ALA CA C 60 52.800 52.800 51.868 0.931 17948 6000 1 13 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.430 -0.269 17948 6001 1 13 . 1 1 60 60 ALA H H 60 8.290 8.290 8.641 -0.351 17948 6002 1 13 . 1 1 61 61 GLU N N 61 119.550 119.550 122.368 -2.818 17948 6003 1 13 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.316 -0.065 17948 6004 1 13 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.560 0.040 17948 6005 1 13 . 1 1 61 61 GLU CB C 61 30.100 30.100 30.364 -0.264 17948 6006 1 13 . 1 1 61 61 GLU H H 61 8.206 8.206 8.832 -0.626 17948 6007 1 13 . 1 1 62 62 LYS N N 62 122.003 122.003 120.785 1.218 17948 6008 1 13 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.226 0.074 17948 6009 1 13 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.703 0.097 17948 6010 1 13 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.949 -0.049 17948 6011 1 13 . 1 1 62 62 LYS H H 62 8.157 8.157 7.990 0.167 17948 6012 1 13 . 1 1 63 63 GLY N N 63 109.728 109.728 109.849 -0.121 17948 6013 1 13 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.766 -0.466 17948 6014 1 13 . 1 1 63 63 GLY H H 63 8.371 8.371 8.537 -0.166 17948 6015 1 13 . 1 1 64 64 LYS N N 64 120.537 120.537 118.056 2.481 17948 6016 1 13 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.508 -0.168 17948 6017 1 13 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.507 -0.307 17948 6018 1 13 . 1 1 64 64 LYS CB C 64 33.000 33.000 34.133 -1.133 17948 6019 1 13 . 1 1 64 64 LYS H H 64 8.078 8.078 8.482 -0.404 17948 6020 1 13 . 1 1 65 65 ASP N N 65 120.981 120.981 117.354 3.627 17948 6021 1 13 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.723 -0.133 17948 6022 1 13 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.632 0.668 17948 6023 1 13 . 1 1 65 65 ASP CB C 65 41.200 41.200 42.023 -0.823 17948 6024 1 13 . 1 1 65 65 ASP H H 65 8.336 8.336 8.131 0.205 17948 6025 1 13 . 1 1 66 66 ASN N N 66 119.056 119.056 117.807 1.249 17948 6026 1 13 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.750 -0.059 17948 6027 1 13 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.439 -0.239 17948 6028 1 13 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.301 -0.301 17948 6029 1 13 . 1 1 66 66 ASN H H 66 8.280 8.280 8.704 -0.424 17948 6030 1 13 . 1 1 67 67 ALA N N 67 124.164 124.164 123.314 0.850 17948 6031 1 13 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.148 0.165 17948 6032 1 13 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.686 0.038 17948 6033 1 13 . 1 1 67 67 ALA CB C 67 19.171 19.171 17.728 1.443 17948 6034 1 13 . 1 1 67 67 ALA H H 67 8.248 8.248 8.294 -0.046 17948 6035 1 13 . 1 1 68 68 GLU N N 68 119.599 119.599 120.394 -0.795 17948 6036 1 13 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.402 -0.120 17948 6037 1 13 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.050 0.762 17948 6038 1 13 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.532 -1.407 17948 6039 1 13 . 1 1 68 68 GLU H H 68 8.295 8.295 8.395 -0.100 17948 6040 1 13 . 1 1 69 69 GLY N N 69 109.616 109.616 111.436 -1.820 17948 6041 1 13 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.648 0.792 17948 6042 1 13 . 1 1 69 69 GLY H H 69 8.348 8.348 8.447 -0.099 17948 6043 1 13 . 1 1 70 70 GLN N N 70 119.476 119.476 116.623 2.853 17948 6044 1 13 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.433 -0.045 17948 6045 1 13 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.222 0.638 17948 6046 1 13 . 1 1 70 70 GLN CB C 70 29.500 29.500 31.064 -1.564 17948 6047 1 13 . 1 1 70 70 GLN H H 70 8.200 8.200 8.564 -0.364 17948 6048 1 13 . 1 1 71 71 GLY N N 71 109.928 109.928 107.906 2.022 17948 6049 1 13 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.863 0.497 17948 6050 1 13 . 1 1 71 71 GLY H H 71 8.438 8.438 8.382 0.056 17948 6051 1 13 . 1 1 72 72 GLU N N 72 120.438 120.438 121.815 -1.377 17948 6052 1 13 . 1 1 72 72 GLU HA H 72 4.398 4.398 3.908 0.490 17948 6053 1 13 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.546 -0.146 17948 6054 1 13 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.906 0.794 17948 6055 1 13 . 1 1 72 72 GLU H H 72 8.296 8.296 8.540 -0.244 17948 6056 1 13 . 1 1 73 73 SER N N 73 117.699 117.699 117.200 0.499 17948 6057 1 13 . 1 1 73 73 SER HA H 73 4.601 4.601 4.035 0.566 17948 6058 1 13 . 1 1 73 73 SER CA C 73 58.011 58.011 60.478 -2.467 17948 6059 1 13 . 1 1 73 73 SER CB C 73 64.816 64.816 62.394 2.422 17948 6060 1 13 . 1 1 73 73 SER H H 73 8.666 8.666 8.618 0.048 17948 6061 1 13 . 1 1 74 74 LEU N N 74 125.422 125.422 122.405 3.017 17948 6062 1 13 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.220 0.021 17948 6063 1 13 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.982 0.741 17948 6064 1 13 . 1 1 74 74 LEU CB C 74 42.155 42.155 40.993 1.162 17948 6065 1 13 . 1 1 74 74 LEU H H 74 8.899 8.899 8.275 0.624 17948 6066 1 13 . 1 1 75 75 ALA N N 75 120.685 120.685 121.638 -0.953 17948 6067 1 13 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.977 0.044 17948 6068 1 13 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.424 -0.624 17948 6069 1 13 . 1 1 75 75 ALA CB C 75 18.600 18.600 17.957 0.643 17948 6070 1 13 . 1 1 75 75 ALA H H 75 8.389 8.389 8.241 0.148 17948 6071 1 13 . 1 1 76 76 ASP N N 76 117.754 117.754 118.514 -0.760 17948 6072 1 13 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.331 0.103 17948 6073 1 13 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.126 -0.426 17948 6074 1 13 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.624 0.059 17948 6075 1 13 . 1 1 76 76 ASP H H 76 7.777 7.777 7.806 -0.029 17948 6076 1 13 . 1 1 77 77 GLN N N 77 119.402 119.402 118.686 0.716 17948 6077 1 13 . 1 1 77 77 GLN HA H 77 4.221 4.221 3.993 0.228 17948 6078 1 13 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.602 -0.758 17948 6079 1 13 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.538 1.064 17948 6080 1 13 . 1 1 77 77 GLN H H 77 8.038 8.038 8.030 0.008 17948 6081 1 13 . 1 1 78 78 ALA N N 78 121.376 121.376 122.511 -1.135 17948 6082 1 13 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.143 0.028 17948 6083 1 13 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.771 -0.221 17948 6084 1 13 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.247 0.607 17948 6085 1 13 . 1 1 78 78 ALA H H 78 8.427 8.427 7.809 0.618 17948 6086 1 13 . 1 1 79 79 ARG N N 79 117.905 117.905 119.109 -1.204 17948 6087 1 13 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.055 -0.037 17948 6088 1 13 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.792 0.501 17948 6089 1 13 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.663 0.496 17948 6090 1 13 . 1 1 79 79 ARG H H 79 8.031 8.031 8.049 -0.018 17948 6091 1 13 . 1 1 80 80 ASP N N 80 120.290 120.290 119.610 0.680 17948 6092 1 13 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.456 0.105 17948 6093 1 13 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.744 -1.468 17948 6094 1 13 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.149 -0.649 17948 6095 1 13 . 1 1 80 80 ASP H H 80 8.126 8.126 8.040 0.086 17948 6096 1 13 . 1 1 81 81 TYR N N 81 120.191 120.191 120.660 -0.469 17948 6097 1 13 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.304 0.036 17948 6098 1 13 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.565 0.554 17948 6099 1 13 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.642 -0.142 17948 6100 1 13 . 1 1 81 81 TYR H H 81 8.250 8.250 7.656 0.594 17948 6101 1 13 . 1 1 82 82 MET N N 82 117.996 117.996 118.852 -0.856 17948 6102 1 13 . 1 1 82 82 MET HA H 82 4.222 4.222 3.967 0.255 17948 6103 1 13 . 1 1 82 82 MET CA C 82 58.618 58.618 59.753 -1.135 17948 6104 1 13 . 1 1 82 82 MET CB C 82 32.875 32.875 32.271 0.604 17948 6105 1 13 . 1 1 82 82 MET H H 82 8.354 8.354 8.465 -0.111 17948 6106 1 13 . 1 1 83 83 GLY N N 83 106.902 106.902 104.647 2.255 17948 6107 1 13 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.195 0.005 17948 6108 1 13 . 1 1 83 83 GLY H H 83 8.365 8.365 7.812 0.553 17948 6109 1 13 . 1 1 84 84 ALA N N 84 124.830 124.830 123.270 1.560 17948 6110 1 13 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.273 0.045 17948 6111 1 13 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.852 0.425 17948 6112 1 13 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.184 0.385 17948 6113 1 13 . 1 1 84 84 ALA H H 84 7.950 7.950 7.262 0.688 17948 6114 1 13 . 1 1 85 85 ALA N N 85 120.542 120.542 121.136 -0.594 17948 6115 1 13 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.910 0.127 17948 6116 1 13 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.889 0.090 17948 6117 1 13 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.190 0.310 17948 6118 1 13 . 1 1 85 85 ALA H H 85 8.274 8.274 8.051 0.223 17948 6119 1 13 . 1 1 86 86 LYS N N 86 116.920 116.920 118.894 -1.974 17948 6120 1 13 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.016 -0.129 17948 6121 1 13 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.719 1.341 17948 6122 1 13 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.678 0.622 17948 6123 1 13 . 1 1 86 86 LYS H H 86 8.265 8.265 7.611 0.654 17948 6124 1 13 . 1 1 87 87 SER N N 87 113.664 113.664 115.346 -1.682 17948 6125 1 13 . 1 1 87 87 SER HA H 87 4.312 4.312 4.124 0.188 17948 6126 1 13 . 1 1 87 87 SER CA C 87 61.330 61.330 61.360 -0.030 17948 6127 1 13 . 1 1 87 87 SER CB C 87 62.900 62.900 62.930 -0.030 17948 6128 1 13 . 1 1 87 87 SER H H 87 7.926 7.926 7.702 0.224 17948 6129 1 13 . 1 1 88 88 LYS N N 88 120.310 120.310 121.470 -1.160 17948 6130 1 13 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.068 0.318 17948 6131 1 13 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.061 -1.717 17948 6132 1 13 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.293 -0.493 17948 6133 1 13 . 1 1 88 88 LYS H H 88 7.859 7.859 7.693 0.166 17948 6134 1 13 . 1 1 89 89 LEU N N 89 119.648 119.648 121.638 -1.990 17948 6135 1 13 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.950 0.151 17948 6136 1 13 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.735 0.332 17948 6137 1 13 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.914 0.586 17948 6138 1 13 . 1 1 89 89 LEU H H 89 8.158 8.158 7.790 0.368 17948 6139 1 13 . 1 1 90 90 ASN N N 90 117.422 117.422 117.089 0.333 17948 6140 1 13 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.345 0.053 17948 6141 1 13 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.832 0.227 17948 6142 1 13 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.274 0.226 17948 6143 1 13 . 1 1 90 90 ASN H H 90 8.240 8.240 7.887 0.353 17948 6144 1 13 . 1 1 91 91 ASP N N 91 119.945 119.945 119.245 0.700 17948 6145 1 13 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.444 -0.003 17948 6146 1 13 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.460 -0.116 17948 6147 1 13 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.758 -0.458 17948 6148 1 13 . 1 1 91 91 ASP H H 91 8.111 8.111 7.537 0.574 17948 6149 1 13 . 1 1 92 92 ALA N N 92 123.226 123.226 122.630 0.596 17948 6150 1 13 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.164 0.010 17948 6151 1 13 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.882 0.491 17948 6152 1 13 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.429 -0.129 17948 6153 1 13 . 1 1 92 92 ALA H H 92 8.240 8.240 7.476 0.764 17948 6154 1 13 . 1 1 93 93 VAL N N 93 117.940 117.940 119.233 -1.293 17948 6155 1 13 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.603 -0.004 17948 6156 1 13 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.570 0.323 17948 6157 1 13 . 1 1 93 93 VAL CB C 93 31.613 31.613 30.789 0.824 17948 6158 1 13 . 1 1 93 93 VAL H H 93 8.410 8.410 8.182 0.228 17948 6159 1 13 . 1 1 94 94 GLU N N 94 120.610 120.610 119.559 1.051 17948 6160 1 13 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.964 0.086 17948 6161 1 13 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.533 0.067 17948 6162 1 13 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.410 0.190 17948 6163 1 13 . 1 1 94 94 GLU H H 94 8.289 8.289 7.946 0.343 17948 6164 1 13 . 1 1 95 95 TYR N N 95 120.241 120.241 118.675 1.566 17948 6165 1 13 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.237 0.033 17948 6166 1 13 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.213 0.087 17948 6167 1 13 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.839 -0.139 17948 6168 1 13 . 1 1 95 95 TYR H H 95 8.186 8.186 7.410 0.776 17948 6169 1 13 . 1 1 96 96 VAL N N 96 116.942 116.942 119.203 -2.261 17948 6170 1 13 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.565 -0.019 17948 6171 1 13 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.372 -0.302 17948 6172 1 13 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.740 0.005 17948 6173 1 13 . 1 1 96 96 VAL H H 96 8.394 8.394 8.313 0.081 17948 6174 1 13 . 1 1 97 97 SER N N 97 113.924 113.924 115.243 -1.319 17948 6175 1 13 . 1 1 97 97 SER HA H 97 4.145 4.145 4.236 -0.091 17948 6176 1 13 . 1 1 97 97 SER CA C 97 61.393 61.393 61.797 -0.404 17948 6177 1 13 . 1 1 97 97 SER CB C 97 63.415 63.415 62.734 0.681 17948 6178 1 13 . 1 1 97 97 SER H H 97 8.433 8.433 8.673 -0.240 17948 6179 1 13 . 1 1 98 98 GLY N N 98 107.509 107.509 108.428 -0.919 17948 6180 1 13 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.229 0.069 17948 6181 1 13 . 1 1 98 98 GLY H H 98 7.899 7.899 7.622 0.277 17948 6182 1 13 . 1 1 99 99 ARG N N 99 119.471 119.471 120.872 -1.401 17948 6183 1 13 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.682 -0.414 17948 6184 1 13 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.562 -0.035 17948 6185 1 13 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.168 0.132 17948 6186 1 13 . 1 1 99 99 ARG H H 99 7.696 7.696 7.755 -0.059 17948 6187 1 13 . 1 1 100 100 VAL N N 100 117.316 117.316 119.207 -1.891 17948 6188 1 13 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.702 0.258 17948 6189 1 13 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.332 -0.932 17948 6190 1 13 . 1 1 100 100 VAL CB C 100 32.320 32.320 32.013 0.307 17948 6191 1 13 . 1 1 100 100 VAL H H 100 7.906 7.906 7.271 0.635 17948 6192 1 13 . 1 1 101 101 HIS N N 101 119.155 119.155 117.648 1.507 17948 6193 1 13 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.640 0.061 17948 6194 1 13 . 1 1 101 101 HIS CA C 101 56.200 56.200 55.173 1.027 17948 6195 1 13 . 1 1 101 101 HIS CB C 101 30.048 30.048 29.761 0.287 17948 6196 1 13 . 1 1 101 101 HIS H H 101 8.130 8.130 7.428 0.702 17948 6197 1 13 . 1 1 102 102 GLY N N 102 109.145 109.145 110.628 -1.483 17948 6198 1 13 . 1 1 102 102 GLY CA C 102 45.333 45.333 44.612 0.721 17948 6199 1 13 . 1 1 102 102 GLY H H 102 8.086 8.086 8.152 -0.066 17948 6200 1 13 . 1 1 103 103 GLU N N 103 119.345 119.345 118.603 0.742 17948 6201 1 13 . 1 1 103 103 GLU HA H 103 4.330 4.330 3.797 0.533 17948 6202 1 13 . 1 1 103 103 GLU CA C 103 62.300 62.300 57.547 4.753 17948 6203 1 13 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.368 2.386 17948 6204 1 13 . 1 1 103 103 GLU H H 103 7.932 7.932 8.519 -0.587 17948 6205 1 13 . 1 1 104 104 GLU N N 104 122.105 122.105 118.569 3.536 17948 6206 1 13 . 1 1 104 104 GLU HA H 104 4.272 4.272 3.702 0.570 17948 6207 1 13 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.904 -0.672 17948 6208 1 13 . 1 1 104 104 GLU CB C 104 30.500 30.500 29.323 1.177 17948 6209 1 13 . 1 1 104 104 GLU H H 104 8.325 8.325 8.435 -0.110 17948 6210 1 13 . 1 1 105 105 ASP N N 105 124.188 124.188 125.492 -1.304 17948 6211 1 13 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.608 0.002 17948 6212 1 13 . 1 1 105 105 ASP CA C 105 54.520 54.520 54.017 0.503 17948 6213 1 13 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.360 -0.660 17948 6214 1 13 . 1 1 105 105 ASP H H 105 8.077 8.077 8.343 -0.266 17948 6215 1 13 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.366 0.118 17948 6216 1 13 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.313 0.511 17948 6217 1 13 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.269 -0.069 17948 6218 1 13 . 1 1 107 107 THR N N 107 111.950 111.950 117.896 -5.946 17948 6219 1 13 . 1 1 107 107 THR HA H 107 4.273 4.273 4.365 -0.092 17948 6220 1 13 . 1 1 107 107 THR CA C 107 62.700 62.700 61.737 0.963 17948 6221 1 13 . 1 1 107 107 THR CB C 107 69.400 69.400 69.870 -0.470 17948 6222 1 13 . 1 1 107 107 THR H H 107 8.339 8.339 8.245 0.094 17948 6223 1 13 . 1 1 108 108 LYS N N 108 123.349 123.349 124.400 -1.051 17948 6224 1 13 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.092 0.265 17948 6225 1 13 . 1 1 108 108 LYS CA C 108 56.000 56.000 57.371 -1.371 17948 6226 1 13 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.438 0.362 17948 6227 1 13 . 1 1 108 108 LYS H H 108 7.727 7.727 8.746 -1.019 17948 6228 1 14 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.849 -0.239 17948 6229 1 14 . 1 1 3 3 ASP H H 3 8.330 8.330 8.788 -0.458 17948 6230 1 14 . 1 1 4 4 ALA N N 4 124.218 124.218 121.435 2.783 17948 6231 1 14 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.577 -0.317 17948 6232 1 14 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.913 1.087 17948 6233 1 14 . 1 1 4 4 ALA CB C 4 18.965 18.965 20.018 -1.053 17948 6234 1 14 . 1 1 4 4 ALA H H 4 8.180 8.180 7.860 0.320 17948 6235 1 14 . 1 1 5 5 GLY N N 5 107.349 107.349 107.477 -0.128 17948 6236 1 14 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.231 -0.131 17948 6237 1 14 . 1 1 5 5 GLY H H 5 8.344 8.344 8.266 0.078 17948 6238 1 14 . 1 1 6 6 ARG N N 6 119.351 119.351 119.260 0.091 17948 6239 1 14 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.201 0.069 17948 6240 1 14 . 1 1 6 6 ARG H H 6 7.971 7.971 8.240 -0.269 17948 6241 1 14 . 1 1 7 7 LYS N N 7 122.700 122.700 118.731 3.969 17948 6242 1 14 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.445 -0.165 17948 6243 1 14 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.424 0.976 17948 6244 1 14 . 1 1 7 7 LYS CB C 7 32.900 32.900 33.708 -0.808 17948 6245 1 14 . 1 1 7 7 LYS H H 7 8.034 8.034 8.361 -0.327 17948 6246 1 14 . 1 1 8 8 GLY H H 8 8.340 8.340 8.507 -0.167 17948 6247 1 14 . 1 1 9 9 PHE N N 9 122.017 122.017 119.279 2.738 17948 6248 1 14 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.798 -0.178 17948 6249 1 14 . 1 1 9 9 PHE CA C 9 56.000 56.000 57.885 -1.885 17948 6250 1 14 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.946 0.005 17948 6251 1 14 . 1 1 9 9 PHE H H 9 8.093 8.093 8.609 -0.516 17948 6252 1 14 . 1 1 10 10 GLY N N 10 120.389 120.389 108.679 11.710 17948 6253 1 14 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.647 0.907 17948 6254 1 14 . 1 1 10 10 GLY H H 10 7.996 7.996 7.911 0.085 17948 6255 1 14 . 1 1 11 11 GLU N N 11 120.847 120.847 120.217 0.630 17948 6256 1 14 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.349 -0.089 17948 6257 1 14 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.736 0.325 17948 6258 1 14 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.513 -0.313 17948 6259 1 14 . 1 1 11 11 GLU H H 11 8.168 8.168 8.620 -0.452 17948 6260 1 14 . 1 1 12 12 LYS N N 12 121.524 121.524 118.826 2.698 17948 6261 1 14 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.122 0.158 17948 6262 1 14 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.760 -0.208 17948 6263 1 14 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.223 0.577 17948 6264 1 14 . 1 1 12 12 LYS H H 12 8.273 8.273 8.065 0.208 17948 6265 1 14 . 1 1 13 13 ALA N N 13 124.765 124.765 122.482 2.283 17948 6266 1 14 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.480 -0.220 17948 6267 1 14 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.936 1.120 17948 6268 1 14 . 1 1 13 13 ALA CB C 13 18.900 18.900 20.379 -1.479 17948 6269 1 14 . 1 1 13 13 ALA H H 13 8.288 8.288 8.153 0.135 17948 6270 1 14 . 1 1 14 14 SER N N 14 114.047 114.047 114.039 0.008 17948 6271 1 14 . 1 1 14 14 SER HA H 14 4.342 4.342 4.929 -0.587 17948 6272 1 14 . 1 1 14 14 SER CA C 14 58.918 58.918 58.207 0.711 17948 6273 1 14 . 1 1 14 14 SER CB C 14 63.539 63.539 64.435 -0.896 17948 6274 1 14 . 1 1 14 14 SER H H 14 8.145 8.145 8.815 -0.670 17948 6275 1 14 . 1 1 15 15 GLU N N 15 122.145 122.145 119.576 2.569 17948 6276 1 14 . 1 1 15 15 GLU HA H 15 4.260 4.260 5.052 -0.792 17948 6277 1 14 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.672 -7.655 17948 6278 1 14 . 1 1 15 15 GLU CB C 15 30.341 30.341 32.125 -1.784 17948 6279 1 14 . 1 1 15 15 GLU H H 15 8.223 8.223 8.864 -0.641 17948 6280 1 14 . 1 1 16 16 ALA N N 16 123.491 123.491 122.364 1.127 17948 6281 1 14 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.500 -0.216 17948 6282 1 14 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.764 0.736 17948 6283 1 14 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.986 -0.786 17948 6284 1 14 . 1 1 16 16 ALA H H 16 8.033 8.033 8.174 -0.141 17948 6285 1 14 . 1 1 17 17 LEU N N 17 120.066 120.066 116.894 3.172 17948 6286 1 14 . 1 1 17 17 LEU HA H 17 4.334 4.334 5.203 -0.869 17948 6287 1 14 . 1 1 17 17 LEU CA C 17 54.900 54.900 54.135 0.765 17948 6288 1 14 . 1 1 17 17 LEU CB C 17 42.300 42.300 43.796 -1.496 17948 6289 1 14 . 1 1 17 17 LEU H H 17 7.901 7.901 8.792 -0.891 17948 6290 1 14 . 1 1 18 18 LYS N N 18 122.658 122.658 119.886 2.772 17948 6291 1 14 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.961 -0.681 17948 6292 1 14 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.942 -0.942 17948 6293 1 14 . 1 1 18 18 LYS CB C 18 32.637 32.637 34.376 -1.738 17948 6294 1 14 . 1 1 18 18 LYS H H 18 8.081 8.081 8.922 -0.841 17948 6295 1 14 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.586 -0.159 17948 6296 1 14 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.048 0.252 17948 6297 1 14 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.416 -0.516 17948 6298 1 14 . 1 1 20 20 ASP N N 20 119.912 119.912 117.944 1.968 17948 6299 1 14 . 1 1 20 20 ASP HA H 20 4.571 4.571 5.079 -0.508 17948 6300 1 14 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.431 1.069 17948 6301 1 14 . 1 1 20 20 ASP CB C 20 40.900 40.900 43.541 -2.641 17948 6302 1 14 . 1 1 20 20 ASP H H 20 8.398 8.398 8.655 -0.257 17948 6303 1 14 . 1 1 21 21 SER N N 21 115.552 115.552 114.654 0.898 17948 6304 1 14 . 1 1 21 21 SER HA H 21 4.513 4.513 4.741 -0.228 17948 6305 1 14 . 1 1 21 21 SER CA C 21 58.726 58.726 57.937 0.789 17948 6306 1 14 . 1 1 21 21 SER CB C 21 63.709 63.709 65.200 -1.491 17948 6307 1 14 . 1 1 21 21 SER H H 21 8.113 8.113 8.319 -0.206 17948 6308 1 14 . 1 1 22 22 GLN N N 22 119.920 119.920 120.552 -0.632 17948 6309 1 14 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.582 -0.302 17948 6310 1 14 . 1 1 22 22 GLN H H 22 8.224 8.224 8.546 -0.322 17948 6311 1 14 . 1 1 23 23 LYS N N 23 121.734 121.734 119.457 2.277 17948 6312 1 14 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.476 -0.196 17948 6313 1 14 . 1 1 23 23 LYS CA C 23 56.173 56.173 55.982 0.191 17948 6314 1 14 . 1 1 23 23 LYS CB C 23 30.593 30.593 33.709 -3.116 17948 6315 1 14 . 1 1 23 23 LYS H H 23 8.415 8.415 8.622 -0.207 17948 6316 1 14 . 1 1 24 24 SER N N 24 126.408 126.408 114.242 12.166 17948 6317 1 14 . 1 1 24 24 SER HA H 24 4.510 4.510 4.317 0.193 17948 6318 1 14 . 1 1 24 24 SER CA C 24 57.341 57.341 59.010 -1.669 17948 6319 1 14 . 1 1 24 24 SER CB C 24 63.800 63.800 63.193 0.607 17948 6320 1 14 . 1 1 24 24 SER H H 24 7.595 7.595 8.188 -0.593 17948 6321 1 14 . 1 1 25 25 TYR N N 25 120.790 120.790 121.306 -0.516 17948 6322 1 14 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.429 0.027 17948 6323 1 14 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.508 1.228 17948 6324 1 14 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.646 -1.577 17948 6325 1 14 . 1 1 25 25 TYR H H 25 8.370 8.370 8.321 0.049 17948 6326 1 14 . 1 1 26 26 ALA N N 26 122.684 122.684 126.928 -4.244 17948 6327 1 14 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.137 0.027 17948 6328 1 14 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.801 1.199 17948 6329 1 14 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.014 -0.114 17948 6330 1 14 . 1 1 26 26 ALA H H 26 8.405 8.405 7.952 0.453 17948 6331 1 14 . 1 1 27 27 GLU N N 27 118.504 118.504 117.595 0.909 17948 6332 1 14 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.318 -0.202 17948 6333 1 14 . 1 1 27 27 GLU CA C 27 58.000 58.000 55.933 2.067 17948 6334 1 14 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.781 0.219 17948 6335 1 14 . 1 1 27 27 GLU H H 27 7.988 7.988 8.665 -0.677 17948 6336 1 14 . 1 1 28 28 GLN N N 28 119.735 119.735 119.064 0.671 17948 6337 1 14 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.080 0.144 17948 6338 1 14 . 1 1 28 28 GLN CA C 28 57.600 57.600 56.885 0.715 17948 6339 1 14 . 1 1 28 28 GLN CB C 28 29.400 29.400 28.883 0.517 17948 6340 1 14 . 1 1 28 28 GLN H H 28 8.282 8.282 8.111 0.171 17948 6341 1 14 . 1 1 29 29 GLY N N 29 108.734 108.734 107.735 0.999 17948 6342 1 14 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.461 1.939 17948 6343 1 14 . 1 1 29 29 GLY H H 29 8.645 8.645 8.111 0.534 17948 6344 1 14 . 1 1 30 30 LYS N N 30 120.800 120.800 121.477 -0.677 17948 6345 1 14 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.693 -0.413 17948 6346 1 14 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.820 2.172 17948 6347 1 14 . 1 1 30 30 LYS CB C 30 29.800 29.800 33.880 -4.080 17948 6348 1 14 . 1 1 30 30 LYS H H 30 8.140 8.140 8.399 -0.259 17948 6349 1 14 . 1 1 31 31 GLU N N 31 119.994 119.994 122.963 -2.969 17948 6350 1 14 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.372 -0.112 17948 6351 1 14 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.519 2.881 17948 6352 1 14 . 1 1 31 31 GLU CB C 31 32.521 32.521 30.460 2.061 17948 6353 1 14 . 1 1 31 31 GLU H H 31 8.039 8.039 8.925 -0.886 17948 6354 1 14 . 1 1 32 32 TYR N N 32 119.254 119.254 118.298 0.956 17948 6355 1 14 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.295 0.335 17948 6356 1 14 . 1 1 32 32 TYR CA C 32 58.020 58.020 58.727 -0.707 17948 6357 1 14 . 1 1 32 32 TYR CB C 32 39.160 39.160 38.507 0.653 17948 6358 1 14 . 1 1 32 32 TYR H H 32 7.994 7.994 7.907 0.087 17948 6359 1 14 . 1 1 33 33 ILE N N 33 121.600 121.600 119.863 1.737 17948 6360 1 14 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.371 -0.347 17948 6361 1 14 . 1 1 33 33 ILE CA C 33 62.100 62.100 60.928 1.172 17948 6362 1 14 . 1 1 33 33 ILE CB C 33 38.300 38.300 39.251 -0.951 17948 6363 1 14 . 1 1 33 33 ILE H H 33 8.260 8.260 7.957 0.303 17948 6364 1 14 . 1 1 34 34 THR N N 34 115.849 115.849 118.034 -2.185 17948 6365 1 14 . 1 1 34 34 THR HA H 34 4.480 4.480 4.345 0.135 17948 6366 1 14 . 1 1 34 34 THR CA C 34 63.600 63.600 62.149 1.451 17948 6367 1 14 . 1 1 34 34 THR CB C 34 69.300 69.300 69.549 -0.249 17948 6368 1 14 . 1 1 34 34 THR H H 34 8.082 8.082 8.348 -0.266 17948 6369 1 14 . 1 1 35 35 ASP N N 35 122.190 122.190 121.415 0.775 17948 6370 1 14 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.489 0.065 17948 6371 1 14 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.869 0.531 17948 6372 1 14 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.622 -0.122 17948 6373 1 14 . 1 1 35 35 ASP H H 35 8.102 8.102 7.912 0.190 17948 6374 1 14 . 1 1 36 36 LYS N N 36 119.451 119.451 121.506 -2.055 17948 6375 1 14 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.404 -0.194 17948 6376 1 14 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.286 0.214 17948 6377 1 14 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.139 -0.639 17948 6378 1 14 . 1 1 36 36 LYS H H 36 7.983 7.983 8.329 -0.346 17948 6379 1 14 . 1 1 37 37 ALA N N 37 123.038 123.038 127.940 -4.902 17948 6380 1 14 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.222 -0.041 17948 6381 1 14 . 1 1 37 37 ALA CA C 37 53.600 53.600 53.351 0.249 17948 6382 1 14 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.098 -0.298 17948 6383 1 14 . 1 1 37 37 ALA H H 37 8.241 8.241 8.394 -0.153 17948 6384 1 14 . 1 1 38 38 ASP N N 38 118.323 118.323 120.221 -1.898 17948 6385 1 14 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.582 -0.078 17948 6386 1 14 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.091 1.009 17948 6387 1 14 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.353 -0.353 17948 6388 1 14 . 1 1 38 38 ASP H H 38 8.144 8.144 8.199 -0.055 17948 6389 1 14 . 1 1 39 39 LYS N N 39 120.011 120.011 119.556 0.455 17948 6390 1 14 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.015 0.260 17948 6391 1 14 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.786 0.114 17948 6392 1 14 . 1 1 39 39 LYS CB C 39 32.754 32.754 32.868 -0.114 17948 6393 1 14 . 1 1 39 39 LYS H H 39 7.960 7.960 8.255 -0.295 17948 6394 1 14 . 1 1 40 40 VAL N N 40 119.113 119.113 119.589 -0.476 17948 6395 1 14 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.358 -0.314 17948 6396 1 14 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.440 1.460 17948 6397 1 14 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.569 -0.069 17948 6398 1 14 . 1 1 40 40 VAL H H 40 7.948 7.948 8.164 -0.216 17948 6399 1 14 . 1 1 41 41 ALA N N 41 125.220 125.220 128.733 -3.513 17948 6400 1 14 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.672 -0.378 17948 6401 1 14 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.782 1.118 17948 6402 1 14 . 1 1 41 41 ALA CB C 41 19.100 19.100 20.170 -1.070 17948 6403 1 14 . 1 1 41 41 ALA H H 41 8.168 8.168 8.341 -0.173 17948 6404 1 14 . 1 1 42 42 GLY N N 42 107.007 107.007 110.099 -3.092 17948 6405 1 14 . 1 1 42 42 GLY CA C 42 45.400 45.400 46.123 -0.723 17948 6406 1 14 . 1 1 42 42 GLY H H 42 8.130 8.130 8.581 -0.451 17948 6407 1 14 . 1 1 43 43 LYS N N 43 122.310 122.310 117.797 4.513 17948 6408 1 14 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.293 0.078 17948 6409 1 14 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.049 -0.049 17948 6410 1 14 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.037 -0.037 17948 6411 1 14 . 1 1 43 43 LYS H H 43 8.253 8.253 7.876 0.377 17948 6412 1 14 . 1 1 44 44 VAL N N 44 120.734 120.734 121.544 -0.810 17948 6413 1 14 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.901 0.239 17948 6414 1 14 . 1 1 44 44 VAL CA C 44 62.000 62.000 63.647 -1.647 17948 6415 1 14 . 1 1 44 44 VAL CB C 44 32.700 32.700 31.325 1.375 17948 6416 1 14 . 1 1 44 44 VAL H H 44 8.026 8.026 7.802 0.224 17948 6417 1 14 . 1 1 45 45 GLN N N 45 124.893 124.893 119.522 5.371 17948 6418 1 14 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.720 -0.440 17948 6419 1 14 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.052 -0.652 17948 6420 1 14 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.379 -0.379 17948 6421 1 14 . 1 1 45 45 GLN H H 45 8.385 8.385 8.110 0.275 17948 6422 1 14 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.557 -0.386 17948 6423 1 14 . 1 1 46 46 PRO CA C 46 61.800 61.800 62.386 -0.586 17948 6424 1 14 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.353 0.576 17948 6425 1 14 . 1 1 47 47 GLU N N 47 123.526 123.526 121.066 2.460 17948 6426 1 14 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.284 -0.024 17948 6427 1 14 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.572 -0.372 17948 6428 1 14 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.003 0.697 17948 6429 1 14 . 1 1 47 47 GLU H H 47 8.039 8.039 8.478 -0.439 17948 6430 1 14 . 1 1 48 48 ASP N N 48 122.131 122.131 124.550 -2.419 17948 6431 1 14 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.708 -0.110 17948 6432 1 14 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.073 2.257 17948 6433 1 14 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.918 -11.218 17948 6434 1 14 . 1 1 48 48 ASP H H 48 8.402 8.402 8.715 -0.313 17948 6435 1 14 . 1 1 49 49 ASN N N 49 121.154 121.154 116.607 4.547 17948 6436 1 14 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.555 0.145 17948 6437 1 14 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.173 -1.573 17948 6438 1 14 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.023 2.550 17948 6439 1 14 . 1 1 49 49 ASN H H 49 8.338 8.338 8.412 -0.074 17948 6440 1 14 . 1 1 50 50 LYS N N 50 120.660 120.660 120.142 0.518 17948 6441 1 14 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.078 0.221 17948 6442 1 14 . 1 1 50 50 LYS H H 50 8.247 8.247 8.198 0.049 17948 6443 1 14 . 1 1 51 51 GLY N N 51 108.915 108.915 106.541 2.374 17948 6444 1 14 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.756 0.644 17948 6445 1 14 . 1 1 51 51 GLY H H 51 8.320 8.320 8.246 0.074 17948 6446 1 14 . 1 1 52 52 VAL N N 52 118.906 118.906 120.404 -1.498 17948 6447 1 14 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.435 -0.389 17948 6448 1 14 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.654 0.746 17948 6449 1 14 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.474 -0.974 17948 6450 1 14 . 1 1 52 52 VAL H H 52 7.836 7.836 8.226 -0.390 17948 6451 1 14 . 1 1 53 53 PHE N N 53 123.002 123.002 126.608 -3.606 17948 6452 1 14 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.433 0.215 17948 6453 1 14 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.370 -0.770 17948 6454 1 14 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.277 -0.877 17948 6455 1 14 . 1 1 53 53 PHE H H 53 8.284 8.284 8.616 -0.332 17948 6456 1 14 . 1 1 54 54 GLN N N 54 122.278 122.278 122.951 -0.673 17948 6457 1 14 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.050 0.263 17948 6458 1 14 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.967 -0.167 17948 6459 1 14 . 1 1 54 54 GLN CB C 54 29.500 29.500 28.808 0.692 17948 6460 1 14 . 1 1 54 54 GLN H H 54 8.223 8.223 7.441 0.782 17948 6461 1 14 . 1 1 55 55 GLY N N 55 109.285 109.285 107.722 1.563 17948 6462 1 14 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.708 0.492 17948 6463 1 14 . 1 1 55 55 GLY H H 55 7.900 7.900 8.364 -0.464 17948 6464 1 14 . 1 1 56 56 VAL H H 56 7.898 7.898 8.203 -0.305 17948 6465 1 14 . 1 1 57 57 HIS N N 57 120.411 120.411 121.486 -1.075 17948 6466 1 14 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.737 -0.488 17948 6467 1 14 . 1 1 57 57 HIS H H 57 8.529 8.529 7.513 1.016 17948 6468 1 14 . 1 1 58 58 ASP N N 58 120.960 120.960 119.859 1.101 17948 6469 1 14 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.567 0.043 17948 6470 1 14 . 1 1 58 58 ASP H H 58 8.234 8.234 8.688 -0.454 17948 6471 1 14 . 1 1 59 59 SER N N 59 116.391 116.391 116.404 -0.013 17948 6472 1 14 . 1 1 59 59 SER HA H 59 4.398 4.398 4.518 -0.120 17948 6473 1 14 . 1 1 59 59 SER CA C 59 58.500 58.500 57.881 0.619 17948 6474 1 14 . 1 1 59 59 SER CB C 59 63.700 63.700 64.900 -1.200 17948 6475 1 14 . 1 1 59 59 SER H H 59 8.248 8.248 8.266 -0.018 17948 6476 1 14 . 1 1 60 60 ALA N N 60 125.620 125.620 125.948 -0.328 17948 6477 1 14 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.147 0.161 17948 6478 1 14 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.306 0.493 17948 6479 1 14 . 1 1 60 60 ALA CB C 60 19.161 19.161 18.957 0.203 17948 6480 1 14 . 1 1 60 60 ALA H H 60 8.290 8.290 8.281 0.009 17948 6481 1 14 . 1 1 61 61 GLU N N 61 119.550 119.550 121.650 -2.100 17948 6482 1 14 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.252 -0.001 17948 6483 1 14 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.382 0.218 17948 6484 1 14 . 1 1 61 61 GLU CB C 61 30.100 30.100 30.235 -0.135 17948 6485 1 14 . 1 1 61 61 GLU H H 61 8.206 8.206 8.419 -0.213 17948 6486 1 14 . 1 1 62 62 LYS N N 62 122.003 122.003 123.108 -1.105 17948 6487 1 14 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.088 0.212 17948 6488 1 14 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.389 0.411 17948 6489 1 14 . 1 1 62 62 LYS CB C 62 32.900 32.900 31.997 0.903 17948 6490 1 14 . 1 1 62 62 LYS H H 62 8.157 8.157 8.622 -0.465 17948 6491 1 14 . 1 1 63 63 GLY N N 63 109.728 109.728 109.390 0.338 17948 6492 1 14 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.420 -0.120 17948 6493 1 14 . 1 1 63 63 GLY H H 63 8.371 8.371 8.646 -0.275 17948 6494 1 14 . 1 1 64 64 LYS N N 64 120.537 120.537 121.406 -0.869 17948 6495 1 14 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.491 -0.151 17948 6496 1 14 . 1 1 64 64 LYS CA C 64 56.200 56.200 55.954 0.246 17948 6497 1 14 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.702 -0.702 17948 6498 1 14 . 1 1 64 64 LYS H H 64 8.078 8.078 7.956 0.122 17948 6499 1 14 . 1 1 65 65 ASP N N 65 120.981 120.981 122.083 -1.102 17948 6500 1 14 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.700 -0.110 17948 6501 1 14 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.807 0.493 17948 6502 1 14 . 1 1 65 65 ASP CB C 65 41.200 41.200 42.345 -1.145 17948 6503 1 14 . 1 1 65 65 ASP H H 65 8.336 8.336 8.420 -0.084 17948 6504 1 14 . 1 1 66 66 ASN N N 66 119.056 119.056 121.057 -2.001 17948 6505 1 14 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.626 0.065 17948 6506 1 14 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.017 0.183 17948 6507 1 14 . 1 1 66 66 ASN CB C 66 39.000 39.000 38.977 0.023 17948 6508 1 14 . 1 1 66 66 ASN H H 66 8.280 8.280 8.580 -0.300 17948 6509 1 14 . 1 1 67 67 ALA N N 67 124.164 124.164 123.080 1.084 17948 6510 1 14 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.162 0.151 17948 6511 1 14 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.720 0.004 17948 6512 1 14 . 1 1 67 67 ALA CB C 67 19.171 19.171 17.784 1.387 17948 6513 1 14 . 1 1 67 67 ALA H H 67 8.248 8.248 7.986 0.262 17948 6514 1 14 . 1 1 68 68 GLU N N 68 119.599 119.599 119.613 -0.014 17948 6515 1 14 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.428 -0.145 17948 6516 1 14 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.312 0.500 17948 6517 1 14 . 1 1 68 68 GLU CB C 68 30.126 30.126 28.692 1.435 17948 6518 1 14 . 1 1 68 68 GLU H H 68 8.295 8.295 8.547 -0.252 17948 6519 1 14 . 1 1 69 69 GLY N N 69 109.616 109.616 111.136 -1.520 17948 6520 1 14 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.045 0.395 17948 6521 1 14 . 1 1 69 69 GLY H H 69 8.348 8.348 8.184 0.164 17948 6522 1 14 . 1 1 70 70 GLN N N 70 119.476 119.476 120.260 -0.784 17948 6523 1 14 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.409 -0.021 17948 6524 1 14 . 1 1 70 70 GLN CA C 70 55.860 55.860 57.062 -1.202 17948 6525 1 14 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.809 -0.309 17948 6526 1 14 . 1 1 70 70 GLN H H 70 8.200 8.200 8.591 -0.391 17948 6527 1 14 . 1 1 71 71 GLY N N 71 109.928 109.928 108.752 1.176 17948 6528 1 14 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.646 -0.286 17948 6529 1 14 . 1 1 71 71 GLY H H 71 8.438 8.438 8.051 0.387 17948 6530 1 14 . 1 1 72 72 GLU N N 72 120.438 120.438 119.526 0.912 17948 6531 1 14 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.315 0.083 17948 6532 1 14 . 1 1 72 72 GLU CA C 72 56.400 56.400 55.795 0.605 17948 6533 1 14 . 1 1 72 72 GLU CB C 72 30.700 30.700 31.046 -0.345 17948 6534 1 14 . 1 1 72 72 GLU H H 72 8.296 8.296 8.219 0.077 17948 6535 1 14 . 1 1 73 73 SER N N 73 117.699 117.699 116.474 1.225 17948 6536 1 14 . 1 1 73 73 SER HA H 73 4.601 4.601 4.248 0.353 17948 6537 1 14 . 1 1 73 73 SER CA C 73 58.011 58.011 61.576 -3.565 17948 6538 1 14 . 1 1 73 73 SER CB C 73 64.816 64.816 63.091 1.725 17948 6539 1 14 . 1 1 73 73 SER H H 73 8.666 8.666 8.576 0.090 17948 6540 1 14 . 1 1 74 74 LEU N N 74 125.422 125.422 121.586 3.836 17948 6541 1 14 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.241 0.000 17948 6542 1 14 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.235 1.488 17948 6543 1 14 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.012 1.143 17948 6544 1 14 . 1 1 74 74 LEU H H 74 8.899 8.899 8.333 0.566 17948 6545 1 14 . 1 1 75 75 ALA N N 75 120.685 120.685 121.177 -0.492 17948 6546 1 14 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.944 0.077 17948 6547 1 14 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.860 -0.060 17948 6548 1 14 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.251 0.349 17948 6549 1 14 . 1 1 75 75 ALA H H 75 8.389 8.389 8.184 0.205 17948 6550 1 14 . 1 1 76 76 ASP N N 76 117.754 117.754 118.648 -0.894 17948 6551 1 14 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.282 0.152 17948 6552 1 14 . 1 1 76 76 ASP CA C 76 56.700 56.700 58.207 -1.507 17948 6553 1 14 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.757 -0.074 17948 6554 1 14 . 1 1 76 76 ASP H H 76 7.777 7.777 7.862 -0.085 17948 6555 1 14 . 1 1 77 77 GLN N N 77 119.402 119.402 117.680 1.722 17948 6556 1 14 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.067 0.154 17948 6557 1 14 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.473 -0.629 17948 6558 1 14 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.405 1.197 17948 6559 1 14 . 1 1 77 77 GLN H H 77 8.038 8.038 7.925 0.113 17948 6560 1 14 . 1 1 78 78 ALA N N 78 121.376 121.376 122.577 -1.201 17948 6561 1 14 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.157 0.014 17948 6562 1 14 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.651 -0.101 17948 6563 1 14 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.241 0.612 17948 6564 1 14 . 1 1 78 78 ALA H H 78 8.427 8.427 7.610 0.817 17948 6565 1 14 . 1 1 79 79 ARG N N 79 117.905 117.905 119.141 -1.236 17948 6566 1 14 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.058 -0.040 17948 6567 1 14 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.797 0.496 17948 6568 1 14 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.681 0.478 17948 6569 1 14 . 1 1 79 79 ARG H H 79 8.031 8.031 8.086 -0.055 17948 6570 1 14 . 1 1 80 80 ASP N N 80 120.290 120.290 119.543 0.747 17948 6571 1 14 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.453 0.108 17948 6572 1 14 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.604 -1.328 17948 6573 1 14 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.091 -0.591 17948 6574 1 14 . 1 1 80 80 ASP H H 80 8.126 8.126 8.122 0.004 17948 6575 1 14 . 1 1 81 81 TYR N N 81 120.191 120.191 120.656 -0.465 17948 6576 1 14 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.293 0.047 17948 6577 1 14 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.846 0.273 17948 6578 1 14 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.728 -0.228 17948 6579 1 14 . 1 1 81 81 TYR H H 81 8.250 8.250 7.667 0.583 17948 6580 1 14 . 1 1 82 82 MET N N 82 117.996 117.996 118.886 -0.890 17948 6581 1 14 . 1 1 82 82 MET HA H 82 4.222 4.222 3.988 0.234 17948 6582 1 14 . 1 1 82 82 MET CA C 82 58.618 58.618 59.742 -1.124 17948 6583 1 14 . 1 1 82 82 MET CB C 82 32.875 32.875 32.289 0.586 17948 6584 1 14 . 1 1 82 82 MET H H 82 8.354 8.354 8.456 -0.102 17948 6585 1 14 . 1 1 83 83 GLY N N 83 106.902 106.902 104.642 2.260 17948 6586 1 14 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.202 -0.002 17948 6587 1 14 . 1 1 83 83 GLY H H 83 8.365 8.365 7.827 0.538 17948 6588 1 14 . 1 1 84 84 ALA N N 84 124.830 124.830 123.264 1.566 17948 6589 1 14 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.277 0.041 17948 6590 1 14 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.857 0.421 17948 6591 1 14 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.166 0.403 17948 6592 1 14 . 1 1 84 84 ALA H H 84 7.950 7.950 7.263 0.687 17948 6593 1 14 . 1 1 85 85 ALA N N 85 120.542 120.542 121.302 -0.760 17948 6594 1 14 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.936 0.101 17948 6595 1 14 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.869 0.110 17948 6596 1 14 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.196 0.304 17948 6597 1 14 . 1 1 85 85 ALA H H 85 8.274 8.274 8.120 0.154 17948 6598 1 14 . 1 1 86 86 LYS N N 86 116.920 116.920 119.431 -2.511 17948 6599 1 14 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.008 -0.121 17948 6600 1 14 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.563 0.497 17948 6601 1 14 . 1 1 86 86 LYS CB C 86 32.300 32.300 32.221 0.079 17948 6602 1 14 . 1 1 86 86 LYS H H 86 8.265 8.265 7.600 0.665 17948 6603 1 14 . 1 1 87 87 SER N N 87 113.664 113.664 114.590 -0.926 17948 6604 1 14 . 1 1 87 87 SER HA H 87 4.312 4.312 4.127 0.185 17948 6605 1 14 . 1 1 87 87 SER CA C 87 61.330 61.330 61.759 -0.429 17948 6606 1 14 . 1 1 87 87 SER CB C 87 62.900 62.900 62.929 -0.029 17948 6607 1 14 . 1 1 87 87 SER H H 87 7.926 7.926 7.784 0.142 17948 6608 1 14 . 1 1 88 88 LYS N N 88 120.310 120.310 120.794 -0.484 17948 6609 1 14 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.062 0.324 17948 6610 1 14 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.068 -1.724 17948 6611 1 14 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.351 -0.551 17948 6612 1 14 . 1 1 88 88 LYS H H 88 7.859 7.859 7.665 0.194 17948 6613 1 14 . 1 1 89 89 LEU N N 89 119.648 119.648 121.601 -1.953 17948 6614 1 14 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.982 0.119 17948 6615 1 14 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.766 0.302 17948 6616 1 14 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.965 0.535 17948 6617 1 14 . 1 1 89 89 LEU H H 89 8.158 8.158 7.814 0.344 17948 6618 1 14 . 1 1 90 90 ASN N N 90 117.422 117.422 117.147 0.275 17948 6619 1 14 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.356 0.042 17948 6620 1 14 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.834 0.225 17948 6621 1 14 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.354 0.146 17948 6622 1 14 . 1 1 90 90 ASN H H 90 8.240 8.240 7.905 0.335 17948 6623 1 14 . 1 1 91 91 ASP N N 91 119.945 119.945 119.047 0.898 17948 6624 1 14 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.443 -0.002 17948 6625 1 14 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.782 -0.438 17948 6626 1 14 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.868 -0.568 17948 6627 1 14 . 1 1 91 91 ASP H H 91 8.111 8.111 7.577 0.534 17948 6628 1 14 . 1 1 92 92 ALA N N 92 123.226 123.226 122.382 0.844 17948 6629 1 14 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.204 -0.030 17948 6630 1 14 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.892 0.481 17948 6631 1 14 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.443 -0.143 17948 6632 1 14 . 1 1 92 92 ALA H H 92 8.240 8.240 7.509 0.731 17948 6633 1 14 . 1 1 93 93 VAL N N 93 117.940 117.940 119.548 -1.608 17948 6634 1 14 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.584 0.015 17948 6635 1 14 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.179 -0.286 17948 6636 1 14 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.394 0.219 17948 6637 1 14 . 1 1 93 93 VAL H H 93 8.410 8.410 8.133 0.277 17948 6638 1 14 . 1 1 94 94 GLU N N 94 120.610 120.610 118.929 1.681 17948 6639 1 14 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.984 0.066 17948 6640 1 14 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.703 -0.103 17948 6641 1 14 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.536 0.064 17948 6642 1 14 . 1 1 94 94 GLU H H 94 8.289 8.289 8.011 0.279 17948 6643 1 14 . 1 1 95 95 TYR N N 95 120.241 120.241 118.878 1.363 17948 6644 1 14 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.229 0.041 17948 6645 1 14 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.774 -0.474 17948 6646 1 14 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.911 -0.211 17948 6647 1 14 . 1 1 95 95 TYR H H 95 8.186 8.186 7.420 0.766 17948 6648 1 14 . 1 1 96 96 VAL N N 96 116.942 116.942 118.185 -1.243 17948 6649 1 14 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.557 -0.011 17948 6650 1 14 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.646 -0.576 17948 6651 1 14 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.718 0.027 17948 6652 1 14 . 1 1 96 96 VAL H H 96 8.394 8.394 8.224 0.170 17948 6653 1 14 . 1 1 97 97 SER N N 97 113.924 113.924 115.087 -1.163 17948 6654 1 14 . 1 1 97 97 SER HA H 97 4.145 4.145 4.227 -0.082 17948 6655 1 14 . 1 1 97 97 SER CA C 97 61.393 61.393 61.156 0.237 17948 6656 1 14 . 1 1 97 97 SER CB C 97 63.415 63.415 62.754 0.661 17948 6657 1 14 . 1 1 97 97 SER H H 97 8.433 8.433 8.685 -0.252 17948 6658 1 14 . 1 1 98 98 GLY N N 98 107.509 107.509 109.076 -1.567 17948 6659 1 14 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.142 0.156 17948 6660 1 14 . 1 1 98 98 GLY H H 98 7.899 7.899 7.650 0.249 17948 6661 1 14 . 1 1 99 99 ARG N N 99 119.471 119.471 120.479 -1.008 17948 6662 1 14 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.276 -0.008 17948 6663 1 14 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.718 -0.191 17948 6664 1 14 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.272 0.028 17948 6665 1 14 . 1 1 99 99 ARG H H 99 7.696 7.696 7.666 0.030 17948 6666 1 14 . 1 1 100 100 VAL N N 100 117.316 117.316 118.982 -1.666 17948 6667 1 14 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.805 0.155 17948 6668 1 14 . 1 1 100 100 VAL CA C 100 63.400 63.400 63.749 -0.349 17948 6669 1 14 . 1 1 100 100 VAL CB C 100 32.320 32.320 32.215 0.105 17948 6670 1 14 . 1 1 100 100 VAL H H 100 7.906 7.906 7.446 0.460 17948 6671 1 14 . 1 1 101 101 HIS N N 101 119.155 119.155 118.620 0.535 17948 6672 1 14 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.362 0.339 17948 6673 1 14 . 1 1 101 101 HIS CA C 101 56.200 56.200 56.630 -0.430 17948 6674 1 14 . 1 1 101 101 HIS CB C 101 30.048 30.048 27.777 2.271 17948 6675 1 14 . 1 1 101 101 HIS H H 101 8.130 8.130 7.687 0.443 17948 6676 1 14 . 1 1 102 102 GLY N N 102 109.145 109.145 109.155 -0.010 17948 6677 1 14 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.013 0.320 17948 6678 1 14 . 1 1 102 102 GLY H H 102 8.086 8.086 8.129 -0.043 17948 6679 1 14 . 1 1 103 103 GLU N N 103 119.345 119.345 118.824 0.521 17948 6680 1 14 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.006 0.324 17948 6681 1 14 . 1 1 103 103 GLU CA C 103 62.300 62.300 57.404 4.896 17948 6682 1 14 . 1 1 103 103 GLU CB C 103 32.754 32.754 29.867 2.886 17948 6683 1 14 . 1 1 103 103 GLU H H 103 7.932 7.932 8.533 -0.601 17948 6684 1 14 . 1 1 104 104 GLU N N 104 122.105 122.105 121.223 0.882 17948 6685 1 14 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.535 -0.263 17948 6686 1 14 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.835 -0.603 17948 6687 1 14 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.108 -0.608 17948 6688 1 14 . 1 1 104 104 GLU H H 104 8.325 8.325 8.538 -0.213 17948 6689 1 14 . 1 1 105 105 ASP N N 105 124.188 124.188 124.744 -0.556 17948 6690 1 14 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.743 -0.133 17948 6691 1 14 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.444 1.076 17948 6692 1 14 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.087 -0.388 17948 6693 1 14 . 1 1 105 105 ASP H H 105 8.077 8.077 8.307 -0.230 17948 6694 1 14 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.637 -0.153 17948 6695 1 14 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.908 0.916 17948 6696 1 14 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.887 -0.687 17948 6697 1 14 . 1 1 107 107 THR N N 107 111.950 111.950 111.639 0.311 17948 6698 1 14 . 1 1 107 107 THR HA H 107 4.273 4.273 4.394 -0.121 17948 6699 1 14 . 1 1 107 107 THR CA C 107 62.700 62.700 61.258 1.442 17948 6700 1 14 . 1 1 107 107 THR CB C 107 69.400 69.400 70.266 -0.867 17948 6701 1 14 . 1 1 107 107 THR H H 107 8.339 8.339 7.609 0.730 17948 6702 1 14 . 1 1 108 108 LYS N N 108 123.349 123.349 121.926 1.423 17948 6703 1 14 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.019 0.338 17948 6704 1 14 . 1 1 108 108 LYS CA C 108 56.000 56.000 57.147 -1.147 17948 6705 1 14 . 1 1 108 108 LYS CB C 108 32.800 32.800 31.502 1.298 17948 6706 1 14 . 1 1 108 108 LYS H H 108 7.727 7.727 9.031 -1.304 17948 6707 1 15 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.929 -0.319 17948 6708 1 15 . 1 1 3 3 ASP H H 3 8.330 8.330 8.790 -0.460 17948 6709 1 15 . 1 1 4 4 ALA N N 4 124.218 124.218 122.375 1.843 17948 6710 1 15 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.538 -0.278 17948 6711 1 15 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.985 1.015 17948 6712 1 15 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.979 -1.014 17948 6713 1 15 . 1 1 4 4 ALA H H 4 8.180 8.180 7.999 0.181 17948 6714 1 15 . 1 1 5 5 GLY N N 5 107.349 107.349 107.587 -0.238 17948 6715 1 15 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.190 -0.090 17948 6716 1 15 . 1 1 5 5 GLY H H 5 8.344 8.344 8.144 0.200 17948 6717 1 15 . 1 1 6 6 ARG N N 6 119.351 119.351 120.696 -1.345 17948 6718 1 15 . 1 1 6 6 ARG HA H 6 4.270 4.270 5.073 -0.803 17948 6719 1 15 . 1 1 6 6 ARG H H 6 7.971 7.971 8.618 -0.647 17948 6720 1 15 . 1 1 7 7 LYS N N 7 122.700 122.700 120.348 2.352 17948 6721 1 15 . 1 1 7 7 LYS HA H 7 4.280 4.280 5.069 -0.789 17948 6722 1 15 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.371 0.029 17948 6723 1 15 . 1 1 7 7 LYS CB C 7 32.900 32.900 35.173 -2.273 17948 6724 1 15 . 1 1 7 7 LYS H H 7 8.034 8.034 9.188 -1.154 17948 6725 1 15 . 1 1 8 8 GLY H H 8 8.340 8.340 9.063 -0.723 17948 6726 1 15 . 1 1 9 9 PHE N N 9 122.017 122.017 120.280 1.737 17948 6727 1 15 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.907 -0.287 17948 6728 1 15 . 1 1 9 9 PHE CA C 9 56.000 56.000 57.435 -1.435 17948 6729 1 15 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.077 0.873 17948 6730 1 15 . 1 1 9 9 PHE H H 9 8.093 8.093 8.205 -0.112 17948 6731 1 15 . 1 1 10 10 GLY N N 10 120.389 120.389 108.781 11.608 17948 6732 1 15 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.480 0.074 17948 6733 1 15 . 1 1 10 10 GLY H H 10 7.996 7.996 8.700 -0.704 17948 6734 1 15 . 1 1 11 11 GLU N N 11 120.847 120.847 120.322 0.525 17948 6735 1 15 . 1 1 11 11 GLU HA H 11 4.260 4.260 3.966 0.294 17948 6736 1 15 . 1 1 11 11 GLU CA C 11 57.061 57.061 57.842 -0.781 17948 6737 1 15 . 1 1 11 11 GLU CB C 11 30.200 30.200 29.439 0.761 17948 6738 1 15 . 1 1 11 11 GLU H H 11 8.168 8.168 8.660 -0.492 17948 6739 1 15 . 1 1 12 12 LYS N N 12 121.524 121.524 117.661 3.863 17948 6740 1 15 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.042 0.238 17948 6741 1 15 . 1 1 12 12 LYS CA C 12 56.552 56.552 57.374 -0.822 17948 6742 1 15 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.566 0.234 17948 6743 1 15 . 1 1 12 12 LYS H H 12 8.273 8.273 8.111 0.162 17948 6744 1 15 . 1 1 13 13 ALA N N 13 124.765 124.765 123.154 1.611 17948 6745 1 15 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.609 -0.349 17948 6746 1 15 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.922 1.134 17948 6747 1 15 . 1 1 13 13 ALA CB C 13 18.900 18.900 20.628 -1.728 17948 6748 1 15 . 1 1 13 13 ALA H H 13 8.288 8.288 8.138 0.150 17948 6749 1 15 . 1 1 14 14 SER N N 14 114.047 114.047 114.764 -0.717 17948 6750 1 15 . 1 1 14 14 SER HA H 14 4.342 4.342 5.074 -0.732 17948 6751 1 15 . 1 1 14 14 SER CA C 14 58.918 58.918 57.824 1.094 17948 6752 1 15 . 1 1 14 14 SER CB C 14 63.539 63.539 64.913 -1.374 17948 6753 1 15 . 1 1 14 14 SER H H 14 8.145 8.145 8.559 -0.414 17948 6754 1 15 . 1 1 15 15 GLU N N 15 122.145 122.145 121.240 0.905 17948 6755 1 15 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.517 -0.257 17948 6756 1 15 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.991 -8.974 17948 6757 1 15 . 1 1 15 15 GLU CB C 15 30.341 30.341 31.300 -0.959 17948 6758 1 15 . 1 1 15 15 GLU H H 15 8.223 8.223 8.712 -0.489 17948 6759 1 15 . 1 1 16 16 ALA N N 16 123.491 123.491 125.862 -2.371 17948 6760 1 15 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.852 -0.568 17948 6761 1 15 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.843 0.657 17948 6762 1 15 . 1 1 16 16 ALA CB C 16 19.200 19.200 20.696 -1.496 17948 6763 1 15 . 1 1 16 16 ALA H H 16 8.033 8.033 8.215 -0.182 17948 6764 1 15 . 1 1 17 17 LEU N N 17 120.066 120.066 122.207 -2.141 17948 6765 1 15 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.789 -0.455 17948 6766 1 15 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.133 -0.233 17948 6767 1 15 . 1 1 17 17 LEU CB C 17 42.300 42.300 43.767 -1.467 17948 6768 1 15 . 1 1 17 17 LEU H H 17 7.901 7.901 8.993 -1.092 17948 6769 1 15 . 1 1 18 18 LYS N N 18 122.658 122.658 124.508 -1.850 17948 6770 1 15 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.982 -0.702 17948 6771 1 15 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.333 -1.333 17948 6772 1 15 . 1 1 18 18 LYS CB C 18 32.637 32.637 34.584 -1.948 17948 6773 1 15 . 1 1 18 18 LYS H H 18 8.081 8.081 8.629 -0.548 17948 6774 1 15 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.520 -0.093 17948 6775 1 15 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.054 0.246 17948 6776 1 15 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.320 -0.420 17948 6777 1 15 . 1 1 20 20 ASP N N 20 119.912 119.912 117.870 2.042 17948 6778 1 15 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.750 -0.179 17948 6779 1 15 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.922 0.578 17948 6780 1 15 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.050 -0.150 17948 6781 1 15 . 1 1 20 20 ASP H H 20 8.398 8.398 8.512 -0.114 17948 6782 1 15 . 1 1 21 21 SER N N 21 115.552 115.552 115.135 0.417 17948 6783 1 15 . 1 1 21 21 SER HA H 21 4.513 4.513 4.402 0.111 17948 6784 1 15 . 1 1 21 21 SER CA C 21 58.726 58.726 58.676 0.050 17948 6785 1 15 . 1 1 21 21 SER CB C 21 63.709 63.709 64.680 -0.971 17948 6786 1 15 . 1 1 21 21 SER H H 21 8.113 8.113 7.822 0.291 17948 6787 1 15 . 1 1 22 22 GLN N N 22 119.920 119.920 118.568 1.352 17948 6788 1 15 . 1 1 22 22 GLN HA H 22 4.280 4.280 3.994 0.286 17948 6789 1 15 . 1 1 22 22 GLN H H 22 8.224 8.224 8.392 -0.168 17948 6790 1 15 . 1 1 23 23 LYS N N 23 121.734 121.734 119.853 1.881 17948 6791 1 15 . 1 1 23 23 LYS HA H 23 4.280 4.280 3.998 0.282 17948 6792 1 15 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.757 -0.584 17948 6793 1 15 . 1 1 23 23 LYS CB C 23 30.593 30.593 30.739 -0.146 17948 6794 1 15 . 1 1 23 23 LYS H H 23 8.415 8.415 8.242 0.173 17948 6795 1 15 . 1 1 24 24 SER N N 24 126.408 126.408 115.809 10.599 17948 6796 1 15 . 1 1 24 24 SER HA H 24 4.510 4.510 4.612 -0.102 17948 6797 1 15 . 1 1 24 24 SER CA C 24 57.341 57.341 57.908 -0.567 17948 6798 1 15 . 1 1 24 24 SER CB C 24 63.800 63.800 64.087 -0.287 17948 6799 1 15 . 1 1 24 24 SER H H 24 7.595 7.595 8.087 -0.492 17948 6800 1 15 . 1 1 25 25 TYR N N 25 120.790 120.790 121.381 -0.591 17948 6801 1 15 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.612 -0.156 17948 6802 1 15 . 1 1 25 25 TYR CA C 25 59.736 59.736 59.575 0.161 17948 6803 1 15 . 1 1 25 25 TYR CB C 25 38.069 38.069 38.962 -0.893 17948 6804 1 15 . 1 1 25 25 TYR H H 25 8.370 8.370 8.839 -0.469 17948 6805 1 15 . 1 1 26 26 ALA N N 26 122.684 122.684 121.800 0.884 17948 6806 1 15 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.344 -0.180 17948 6807 1 15 . 1 1 26 26 ALA CA C 26 54.000 54.000 51.871 2.129 17948 6808 1 15 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.071 -0.171 17948 6809 1 15 . 1 1 26 26 ALA H H 26 8.405 8.405 7.959 0.446 17948 6810 1 15 . 1 1 27 27 GLU N N 27 118.504 118.504 121.175 -2.671 17948 6811 1 15 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.459 -0.343 17948 6812 1 15 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.292 1.708 17948 6813 1 15 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.464 0.536 17948 6814 1 15 . 1 1 27 27 GLU H H 27 7.988 7.988 8.389 -0.401 17948 6815 1 15 . 1 1 28 28 GLN N N 28 119.735 119.735 123.272 -3.537 17948 6816 1 15 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.544 -0.320 17948 6817 1 15 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.597 2.003 17948 6818 1 15 . 1 1 28 28 GLN CB C 28 29.400 29.400 30.700 -1.300 17948 6819 1 15 . 1 1 28 28 GLN H H 28 8.282 8.282 8.522 -0.240 17948 6820 1 15 . 1 1 29 29 GLY N N 29 108.734 108.734 111.036 -2.302 17948 6821 1 15 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.804 1.596 17948 6822 1 15 . 1 1 29 29 GLY H H 29 8.645 8.645 8.140 0.505 17948 6823 1 15 . 1 1 30 30 LYS N N 30 120.800 120.800 118.627 2.173 17948 6824 1 15 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.701 -0.421 17948 6825 1 15 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.558 2.434 17948 6826 1 15 . 1 1 30 30 LYS CB C 30 29.800 29.800 34.471 -4.671 17948 6827 1 15 . 1 1 30 30 LYS H H 30 8.140 8.140 8.795 -0.655 17948 6828 1 15 . 1 1 31 31 GLU N N 31 119.994 119.994 118.917 1.077 17948 6829 1 15 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.561 -0.301 17948 6830 1 15 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.198 4.202 17948 6831 1 15 . 1 1 31 31 GLU CB C 31 32.521 32.521 31.136 1.385 17948 6832 1 15 . 1 1 31 31 GLU H H 31 8.039 8.039 8.528 -0.489 17948 6833 1 15 . 1 1 32 32 TYR N N 32 119.254 119.254 119.930 -0.676 17948 6834 1 15 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.564 0.066 17948 6835 1 15 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.938 0.082 17948 6836 1 15 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.321 -0.161 17948 6837 1 15 . 1 1 32 32 TYR H H 32 7.994 7.994 8.180 -0.186 17948 6838 1 15 . 1 1 33 33 ILE N N 33 121.600 121.600 117.940 3.660 17948 6839 1 15 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.651 -0.627 17948 6840 1 15 . 1 1 33 33 ILE CA C 33 62.100 62.100 60.678 1.422 17948 6841 1 15 . 1 1 33 33 ILE CB C 33 38.300 38.300 39.648 -1.348 17948 6842 1 15 . 1 1 33 33 ILE H H 33 8.260 8.260 8.008 0.252 17948 6843 1 15 . 1 1 34 34 THR N N 34 115.849 115.849 113.630 2.219 17948 6844 1 15 . 1 1 34 34 THR HA H 34 4.480 4.480 4.041 0.439 17948 6845 1 15 . 1 1 34 34 THR CA C 34 63.600 63.600 63.204 0.396 17948 6846 1 15 . 1 1 34 34 THR CB C 34 69.300 69.300 69.239 0.061 17948 6847 1 15 . 1 1 34 34 THR H H 34 8.082 8.082 8.385 -0.303 17948 6848 1 15 . 1 1 35 35 ASP N N 35 122.190 122.190 118.432 3.758 17948 6849 1 15 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.767 -0.213 17948 6850 1 15 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.376 2.024 17948 6851 1 15 . 1 1 35 35 ASP CB C 35 41.500 41.500 42.229 -0.729 17948 6852 1 15 . 1 1 35 35 ASP H H 35 8.102 8.102 8.290 -0.188 17948 6853 1 15 . 1 1 36 36 LYS N N 36 119.451 119.451 119.965 -0.514 17948 6854 1 15 . 1 1 36 36 LYS HA H 36 4.210 4.210 5.238 -1.028 17948 6855 1 15 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.602 0.898 17948 6856 1 15 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.733 -2.232 17948 6857 1 15 . 1 1 36 36 LYS H H 36 7.983 7.983 8.481 -0.498 17948 6858 1 15 . 1 1 37 37 ALA N N 37 123.038 123.038 122.109 0.929 17948 6859 1 15 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.877 -0.696 17948 6860 1 15 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.042 1.558 17948 6861 1 15 . 1 1 37 37 ALA CB C 37 18.800 18.800 20.425 -1.625 17948 6862 1 15 . 1 1 37 37 ALA H H 37 8.241 8.241 8.931 -0.690 17948 6863 1 15 . 1 1 38 38 ASP N N 38 118.323 118.323 118.463 -0.140 17948 6864 1 15 . 1 1 38 38 ASP HA H 38 4.504 4.504 5.212 -0.708 17948 6865 1 15 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.394 1.706 17948 6866 1 15 . 1 1 38 38 ASP CB C 38 41.000 41.000 42.130 -1.130 17948 6867 1 15 . 1 1 38 38 ASP H H 38 8.144 8.144 8.643 -0.499 17948 6868 1 15 . 1 1 39 39 LYS N N 39 120.011 120.011 119.566 0.445 17948 6869 1 15 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.981 -0.706 17948 6870 1 15 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.138 1.762 17948 6871 1 15 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.849 -1.095 17948 6872 1 15 . 1 1 39 39 LYS H H 39 7.960 7.960 8.601 -0.641 17948 6873 1 15 . 1 1 40 40 VAL N N 40 119.113 119.113 119.528 -0.415 17948 6874 1 15 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.617 -0.573 17948 6875 1 15 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.156 0.744 17948 6876 1 15 . 1 1 40 40 VAL CB C 40 32.500 32.500 34.053 -1.554 17948 6877 1 15 . 1 1 40 40 VAL H H 40 7.948 7.948 8.718 -0.770 17948 6878 1 15 . 1 1 41 41 ALA N N 41 125.220 125.220 128.570 -3.350 17948 6879 1 15 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.640 -0.346 17948 6880 1 15 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.779 1.121 17948 6881 1 15 . 1 1 41 41 ALA CB C 41 19.100 19.100 21.272 -2.172 17948 6882 1 15 . 1 1 41 41 ALA H H 41 8.168 8.168 8.584 -0.416 17948 6883 1 15 . 1 1 42 42 GLY N N 42 107.007 107.007 106.970 0.037 17948 6884 1 15 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.911 0.489 17948 6885 1 15 . 1 1 42 42 GLY H H 42 8.130 8.130 8.419 -0.289 17948 6886 1 15 . 1 1 43 43 LYS N N 43 122.310 122.310 123.719 -1.409 17948 6887 1 15 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.306 0.065 17948 6888 1 15 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.248 -0.248 17948 6889 1 15 . 1 1 43 43 LYS CB C 43 33.000 33.000 32.931 0.069 17948 6890 1 15 . 1 1 43 43 LYS H H 43 8.253 8.253 8.488 -0.235 17948 6891 1 15 . 1 1 44 44 VAL N N 44 120.734 120.734 121.826 -1.092 17948 6892 1 15 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.077 0.063 17948 6893 1 15 . 1 1 44 44 VAL CA C 44 62.000 62.000 61.856 0.144 17948 6894 1 15 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.971 -0.271 17948 6895 1 15 . 1 1 44 44 VAL H H 44 8.026 8.026 7.697 0.329 17948 6896 1 15 . 1 1 45 45 GLN N N 45 124.893 124.893 126.989 -2.096 17948 6897 1 15 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.738 -0.458 17948 6898 1 15 . 1 1 45 45 GLN CA C 45 53.400 53.400 53.008 0.392 17948 6899 1 15 . 1 1 45 45 GLN CB C 45 29.000 29.000 27.949 1.051 17948 6900 1 15 . 1 1 45 45 GLN H H 45 8.385 8.385 8.434 -0.049 17948 6901 1 15 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.438 -0.267 17948 6902 1 15 . 1 1 46 46 PRO CA C 46 61.800 61.800 62.709 -0.909 17948 6903 1 15 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.455 0.474 17948 6904 1 15 . 1 1 47 47 GLU N N 47 123.526 123.526 117.272 6.254 17948 6905 1 15 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.204 0.056 17948 6906 1 15 . 1 1 47 47 GLU CA C 47 56.200 56.200 57.067 -0.867 17948 6907 1 15 . 1 1 47 47 GLU CB C 47 30.700 30.700 28.965 1.735 17948 6908 1 15 . 1 1 47 47 GLU H H 47 8.039 8.039 8.509 -0.470 17948 6909 1 15 . 1 1 48 48 ASP N N 48 122.131 122.131 121.568 0.563 17948 6910 1 15 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.713 -0.115 17948 6911 1 15 . 1 1 48 48 ASP CA C 48 56.330 56.330 53.669 2.662 17948 6912 1 15 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.350 -10.650 17948 6913 1 15 . 1 1 48 48 ASP H H 48 8.402 8.402 8.569 -0.167 17948 6914 1 15 . 1 1 49 49 ASN N N 49 121.154 121.154 118.093 3.061 17948 6915 1 15 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.894 -0.194 17948 6916 1 15 . 1 1 49 49 ASN CA C 49 51.600 51.600 52.836 -1.236 17948 6917 1 15 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.109 1.464 17948 6918 1 15 . 1 1 49 49 ASN H H 49 8.338 8.338 7.815 0.523 17948 6919 1 15 . 1 1 50 50 LYS N N 50 120.660 120.660 121.372 -0.712 17948 6920 1 15 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.501 -0.202 17948 6921 1 15 . 1 1 50 50 LYS H H 50 8.247 8.247 8.567 -0.320 17948 6922 1 15 . 1 1 51 51 GLY N N 51 108.915 108.915 109.998 -1.083 17948 6923 1 15 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.645 0.756 17948 6924 1 15 . 1 1 51 51 GLY H H 51 8.320 8.320 7.835 0.485 17948 6925 1 15 . 1 1 52 52 VAL N N 52 118.906 118.906 117.451 1.455 17948 6926 1 15 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.352 -0.306 17948 6927 1 15 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.572 0.828 17948 6928 1 15 . 1 1 52 52 VAL CB C 52 32.500 32.500 31.451 1.049 17948 6929 1 15 . 1 1 52 52 VAL H H 52 7.836 7.836 8.290 -0.454 17948 6930 1 15 . 1 1 53 53 PHE N N 53 123.002 123.002 119.359 3.643 17948 6931 1 15 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.767 -0.119 17948 6932 1 15 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.743 -0.143 17948 6933 1 15 . 1 1 53 53 PHE CB C 53 39.400 39.400 39.790 -0.390 17948 6934 1 15 . 1 1 53 53 PHE H H 53 8.284 8.284 7.702 0.582 17948 6935 1 15 . 1 1 54 54 GLN N N 54 122.278 122.278 120.378 1.900 17948 6936 1 15 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.458 -0.145 17948 6937 1 15 . 1 1 54 54 GLN CA C 54 55.800 55.800 56.161 -0.361 17948 6938 1 15 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.381 0.119 17948 6939 1 15 . 1 1 54 54 GLN H H 54 8.223 8.223 8.926 -0.703 17948 6940 1 15 . 1 1 55 55 GLY N N 55 109.285 109.285 109.011 0.274 17948 6941 1 15 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.034 0.166 17948 6942 1 15 . 1 1 55 55 GLY H H 55 7.900 7.900 8.019 -0.119 17948 6943 1 15 . 1 1 56 56 VAL H H 56 7.898 7.898 8.023 -0.125 17948 6944 1 15 . 1 1 57 57 HIS N N 57 120.411 120.411 116.149 4.262 17948 6945 1 15 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.858 -0.609 17948 6946 1 15 . 1 1 57 57 HIS H H 57 8.529 8.529 7.355 1.174 17948 6947 1 15 . 1 1 58 58 ASP N N 58 120.960 120.960 120.476 0.484 17948 6948 1 15 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.794 -0.184 17948 6949 1 15 . 1 1 58 58 ASP H H 58 8.234 8.234 8.720 -0.486 17948 6950 1 15 . 1 1 59 59 SER N N 59 116.391 116.391 114.758 1.633 17948 6951 1 15 . 1 1 59 59 SER HA H 59 4.398 4.398 4.603 -0.205 17948 6952 1 15 . 1 1 59 59 SER CA C 59 58.500 58.500 58.023 0.477 17948 6953 1 15 . 1 1 59 59 SER CB C 59 63.700 63.700 64.768 -1.068 17948 6954 1 15 . 1 1 59 59 SER H H 59 8.248 8.248 8.153 0.095 17948 6955 1 15 . 1 1 60 60 ALA N N 60 125.620 125.620 123.743 1.877 17948 6956 1 15 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.535 -0.227 17948 6957 1 15 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.583 0.217 17948 6958 1 15 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.968 -0.807 17948 6959 1 15 . 1 1 60 60 ALA H H 60 8.290 8.290 8.306 -0.016 17948 6960 1 15 . 1 1 61 61 GLU N N 61 119.550 119.550 120.046 -0.496 17948 6961 1 15 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.523 -0.272 17948 6962 1 15 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.238 0.362 17948 6963 1 15 . 1 1 61 61 GLU CB C 61 30.100 30.100 32.090 -1.990 17948 6964 1 15 . 1 1 61 61 GLU H H 61 8.206 8.206 8.072 0.134 17948 6965 1 15 . 1 1 62 62 LYS N N 62 122.003 122.003 122.986 -0.983 17948 6966 1 15 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.339 -0.039 17948 6967 1 15 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.529 0.271 17948 6968 1 15 . 1 1 62 62 LYS CB C 62 32.900 32.900 33.195 -0.295 17948 6969 1 15 . 1 1 62 62 LYS H H 62 8.157 8.157 8.770 -0.613 17948 6970 1 15 . 1 1 63 63 GLY N N 63 109.728 109.728 109.407 0.321 17948 6971 1 15 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.475 0.825 17948 6972 1 15 . 1 1 63 63 GLY H H 63 8.371 8.371 7.933 0.438 17948 6973 1 15 . 1 1 64 64 LYS N N 64 120.537 120.537 121.113 -0.576 17948 6974 1 15 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.462 -0.122 17948 6975 1 15 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.417 -0.217 17948 6976 1 15 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.556 -0.556 17948 6977 1 15 . 1 1 64 64 LYS H H 64 8.078 8.078 8.446 -0.368 17948 6978 1 15 . 1 1 65 65 ASP N N 65 120.981 120.981 117.848 3.133 17948 6979 1 15 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.244 0.346 17948 6980 1 15 . 1 1 65 65 ASP CA C 65 54.300 54.300 56.276 -1.976 17948 6981 1 15 . 1 1 65 65 ASP CB C 65 41.200 41.200 40.686 0.514 17948 6982 1 15 . 1 1 65 65 ASP H H 65 8.336 8.336 8.302 0.034 17948 6983 1 15 . 1 1 66 66 ASN N N 66 119.056 119.056 119.258 -0.202 17948 6984 1 15 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.223 0.468 17948 6985 1 15 . 1 1 66 66 ASN CA C 66 53.200 53.200 54.013 -0.812 17948 6986 1 15 . 1 1 66 66 ASN CB C 66 39.000 39.000 38.121 0.879 17948 6987 1 15 . 1 1 66 66 ASN H H 66 8.280 8.280 8.402 -0.122 17948 6988 1 15 . 1 1 67 67 ALA N N 67 124.164 124.164 127.002 -2.838 17948 6989 1 15 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.356 -0.043 17948 6990 1 15 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.079 0.645 17948 6991 1 15 . 1 1 67 67 ALA CB C 67 19.171 19.171 20.750 -1.579 17948 6992 1 15 . 1 1 67 67 ALA H H 67 8.248 8.248 8.218 0.030 17948 6993 1 15 . 1 1 68 68 GLU N N 68 119.599 119.599 116.559 3.040 17948 6994 1 15 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.032 0.251 17948 6995 1 15 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.903 -0.091 17948 6996 1 15 . 1 1 68 68 GLU CB C 68 30.126 30.126 30.048 0.078 17948 6997 1 15 . 1 1 68 68 GLU H H 68 8.295 8.295 8.649 -0.354 17948 6998 1 15 . 1 1 69 69 GLY N N 69 109.616 109.616 106.863 2.753 17948 6999 1 15 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.881 0.559 17948 7000 1 15 . 1 1 69 69 GLY H H 69 8.348 8.348 8.303 0.045 17948 7001 1 15 . 1 1 70 70 GLN N N 70 119.476 119.476 120.001 -0.525 17948 7002 1 15 . 1 1 70 70 GLN HA H 70 4.388 4.388 3.903 0.485 17948 7003 1 15 . 1 1 70 70 GLN CA C 70 55.860 55.860 57.568 -1.708 17948 7004 1 15 . 1 1 70 70 GLN CB C 70 29.500 29.500 27.888 1.612 17948 7005 1 15 . 1 1 70 70 GLN H H 70 8.200 8.200 8.636 -0.436 17948 7006 1 15 . 1 1 71 71 GLY N N 71 109.928 109.928 107.554 2.374 17948 7007 1 15 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.341 1.019 17948 7008 1 15 . 1 1 71 71 GLY H H 71 8.438 8.438 8.061 0.377 17948 7009 1 15 . 1 1 72 72 GLU N N 72 120.438 120.438 119.490 0.948 17948 7010 1 15 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.437 -0.039 17948 7011 1 15 . 1 1 72 72 GLU CA C 72 56.400 56.400 55.838 0.562 17948 7012 1 15 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.683 1.017 17948 7013 1 15 . 1 1 72 72 GLU H H 72 8.296 8.296 8.805 -0.509 17948 7014 1 15 . 1 1 73 73 SER N N 73 117.699 117.699 114.265 3.434 17948 7015 1 15 . 1 1 73 73 SER HA H 73 4.601 4.601 4.445 0.156 17948 7016 1 15 . 1 1 73 73 SER CA C 73 58.011 58.011 57.310 0.701 17948 7017 1 15 . 1 1 73 73 SER CB C 73 64.816 64.816 63.993 0.823 17948 7018 1 15 . 1 1 73 73 SER H H 73 8.666 8.666 7.888 0.778 17948 7019 1 15 . 1 1 74 74 LEU N N 74 125.422 125.422 123.649 1.773 17948 7020 1 15 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.196 0.045 17948 7021 1 15 . 1 1 74 74 LEU CA C 74 57.723 57.723 57.172 0.551 17948 7022 1 15 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.063 1.092 17948 7023 1 15 . 1 1 74 74 LEU H H 74 8.899 8.899 8.807 0.092 17948 7024 1 15 . 1 1 75 75 ALA N N 75 120.685 120.685 120.900 -0.215 17948 7025 1 15 . 1 1 75 75 ALA HA H 75 4.021 4.021 4.069 -0.048 17948 7026 1 15 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.806 -0.006 17948 7027 1 15 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.164 0.436 17948 7028 1 15 . 1 1 75 75 ALA H H 75 8.389 8.389 8.250 0.139 17948 7029 1 15 . 1 1 76 76 ASP N N 76 117.754 117.754 118.853 -1.099 17948 7030 1 15 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.258 0.176 17948 7031 1 15 . 1 1 76 76 ASP CA C 76 56.700 56.700 58.214 -1.514 17948 7032 1 15 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.783 -0.100 17948 7033 1 15 . 1 1 76 76 ASP H H 76 7.777 7.777 7.972 -0.195 17948 7034 1 15 . 1 1 77 77 GLN N N 77 119.402 119.402 117.806 1.596 17948 7035 1 15 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.020 0.201 17948 7036 1 15 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.742 -0.898 17948 7037 1 15 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.479 1.123 17948 7038 1 15 . 1 1 77 77 GLN H H 77 8.038 8.038 8.064 -0.026 17948 7039 1 15 . 1 1 78 78 ALA N N 78 121.376 121.376 122.667 -1.291 17948 7040 1 15 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.175 -0.004 17948 7041 1 15 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.642 -0.092 17948 7042 1 15 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.129 0.725 17948 7043 1 15 . 1 1 78 78 ALA H H 78 8.427 8.427 7.350 1.077 17948 7044 1 15 . 1 1 79 79 ARG N N 79 117.905 117.905 119.043 -1.138 17948 7045 1 15 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.066 -0.048 17948 7046 1 15 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.968 0.325 17948 7047 1 15 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.498 0.661 17948 7048 1 15 . 1 1 79 79 ARG H H 79 8.031 8.031 8.208 -0.177 17948 7049 1 15 . 1 1 80 80 ASP N N 80 120.290 120.290 119.577 0.713 17948 7050 1 15 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.451 0.110 17948 7051 1 15 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.531 -1.254 17948 7052 1 15 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.070 -0.570 17948 7053 1 15 . 1 1 80 80 ASP H H 80 8.126 8.126 8.094 0.032 17948 7054 1 15 . 1 1 81 81 TYR N N 81 120.191 120.191 120.684 -0.493 17948 7055 1 15 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.278 0.062 17948 7056 1 15 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.911 0.208 17948 7057 1 15 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.747 -0.247 17948 7058 1 15 . 1 1 81 81 TYR H H 81 8.250 8.250 7.666 0.584 17948 7059 1 15 . 1 1 82 82 MET N N 82 117.996 117.996 118.842 -0.846 17948 7060 1 15 . 1 1 82 82 MET HA H 82 4.222 4.222 3.987 0.235 17948 7061 1 15 . 1 1 82 82 MET CA C 82 58.618 58.618 59.746 -1.128 17948 7062 1 15 . 1 1 82 82 MET CB C 82 32.875 32.875 32.289 0.586 17948 7063 1 15 . 1 1 82 82 MET H H 82 8.354 8.354 8.475 -0.121 17948 7064 1 15 . 1 1 83 83 GLY N N 83 106.902 106.902 104.629 2.273 17948 7065 1 15 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.202 -0.002 17948 7066 1 15 . 1 1 83 83 GLY H H 83 8.365 8.365 7.818 0.547 17948 7067 1 15 . 1 1 84 84 ALA N N 84 124.830 124.830 123.249 1.581 17948 7068 1 15 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.267 0.051 17948 7069 1 15 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.845 0.433 17948 7070 1 15 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.157 0.412 17948 7071 1 15 . 1 1 84 84 ALA H H 84 7.950 7.950 7.248 0.702 17948 7072 1 15 . 1 1 85 85 ALA N N 85 120.542 120.542 121.103 -0.561 17948 7073 1 15 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.953 0.084 17948 7074 1 15 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.908 0.071 17948 7075 1 15 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.264 0.236 17948 7076 1 15 . 1 1 85 85 ALA H H 85 8.274 8.274 8.069 0.205 17948 7077 1 15 . 1 1 86 86 LYS N N 86 116.920 116.920 118.781 -1.861 17948 7078 1 15 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.021 -0.134 17948 7079 1 15 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.497 1.563 17948 7080 1 15 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.548 0.752 17948 7081 1 15 . 1 1 86 86 LYS H H 86 8.265 8.265 7.603 0.662 17948 7082 1 15 . 1 1 87 87 SER N N 87 113.664 113.664 115.105 -1.441 17948 7083 1 15 . 1 1 87 87 SER HA H 87 4.312 4.312 4.108 0.204 17948 7084 1 15 . 1 1 87 87 SER CA C 87 61.330 61.330 61.687 -0.357 17948 7085 1 15 . 1 1 87 87 SER CB C 87 62.900 62.900 62.772 0.128 17948 7086 1 15 . 1 1 87 87 SER H H 87 7.926 7.926 7.780 0.146 17948 7087 1 15 . 1 1 88 88 LYS N N 88 120.310 120.310 120.026 0.284 17948 7088 1 15 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.095 0.291 17948 7089 1 15 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.003 -1.659 17948 7090 1 15 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.328 -0.528 17948 7091 1 15 . 1 1 88 88 LYS H H 88 7.859 7.859 7.739 0.120 17948 7092 1 15 . 1 1 89 89 LEU N N 89 119.648 119.648 122.036 -2.388 17948 7093 1 15 . 1 1 89 89 LEU HA H 89 4.101 4.101 4.125 -0.024 17948 7094 1 15 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.581 0.486 17948 7095 1 15 . 1 1 89 89 LEU CB C 89 41.500 41.500 41.436 0.064 17948 7096 1 15 . 1 1 89 89 LEU H H 89 8.158 8.158 7.346 0.812 17948 7097 1 15 . 1 1 90 90 ASN N N 90 117.422 117.422 117.712 -0.290 17948 7098 1 15 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.344 0.054 17948 7099 1 15 . 1 1 90 90 ASN CA C 90 57.059 57.059 57.150 -0.091 17948 7100 1 15 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.571 -0.071 17948 7101 1 15 . 1 1 90 90 ASN H H 90 8.240 8.240 8.784 -0.544 17948 7102 1 15 . 1 1 91 91 ASP N N 91 119.945 119.945 119.774 0.171 17948 7103 1 15 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.433 0.008 17948 7104 1 15 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.782 -0.438 17948 7105 1 15 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.699 -0.399 17948 7106 1 15 . 1 1 91 91 ASP H H 91 8.111 8.111 7.803 0.308 17948 7107 1 15 . 1 1 92 92 ALA N N 92 123.226 123.226 121.886 1.340 17948 7108 1 15 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.199 -0.025 17948 7109 1 15 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.805 0.568 17948 7110 1 15 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.410 -0.110 17948 7111 1 15 . 1 1 92 92 ALA H H 92 8.240 8.240 7.415 0.825 17948 7112 1 15 . 1 1 93 93 VAL N N 93 117.940 117.940 119.557 -1.617 17948 7113 1 15 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.529 0.070 17948 7114 1 15 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.660 -0.767 17948 7115 1 15 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.435 0.178 17948 7116 1 15 . 1 1 93 93 VAL H H 93 8.410 8.410 7.948 0.462 17948 7117 1 15 . 1 1 94 94 GLU N N 94 120.610 120.610 119.391 1.219 17948 7118 1 15 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.956 0.094 17948 7119 1 15 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.841 -0.241 17948 7120 1 15 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.786 -0.186 17948 7121 1 15 . 1 1 94 94 GLU H H 94 8.289 8.289 7.873 0.416 17948 7122 1 15 . 1 1 95 95 TYR N N 95 120.241 120.241 118.299 1.942 17948 7123 1 15 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.241 0.029 17948 7124 1 15 . 1 1 95 95 TYR CA C 95 61.300 61.300 60.552 0.748 17948 7125 1 15 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.702 -0.002 17948 7126 1 15 . 1 1 95 95 TYR H H 95 8.186 8.186 7.345 0.841 17948 7127 1 15 . 1 1 96 96 VAL N N 96 116.942 116.942 118.747 -1.805 17948 7128 1 15 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.397 0.149 17948 7129 1 15 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.697 -0.627 17948 7130 1 15 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.559 0.186 17948 7131 1 15 . 1 1 96 96 VAL H H 96 8.394 8.394 8.347 0.047 17948 7132 1 15 . 1 1 97 97 SER N N 97 113.924 113.924 115.075 -1.151 17948 7133 1 15 . 1 1 97 97 SER HA H 97 4.145 4.145 4.205 -0.060 17948 7134 1 15 . 1 1 97 97 SER CA C 97 61.393 61.393 61.251 0.142 17948 7135 1 15 . 1 1 97 97 SER CB C 97 63.415 63.415 62.711 0.704 17948 7136 1 15 . 1 1 97 97 SER H H 97 8.433 8.433 8.660 -0.227 17948 7137 1 15 . 1 1 98 98 GLY N N 98 107.509 107.509 108.796 -1.287 17948 7138 1 15 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.048 0.250 17948 7139 1 15 . 1 1 98 98 GLY H H 98 7.899 7.899 7.667 0.232 17948 7140 1 15 . 1 1 99 99 ARG N N 99 119.471 119.471 120.559 -1.088 17948 7141 1 15 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.214 0.054 17948 7142 1 15 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.930 -0.403 17948 7143 1 15 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.243 0.057 17948 7144 1 15 . 1 1 99 99 ARG H H 99 7.696 7.696 7.822 -0.126 17948 7145 1 15 . 1 1 100 100 VAL N N 100 117.316 117.316 118.220 -0.904 17948 7146 1 15 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.769 0.191 17948 7147 1 15 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.493 -1.093 17948 7148 1 15 . 1 1 100 100 VAL CB C 100 32.320 32.320 32.082 0.238 17948 7149 1 15 . 1 1 100 100 VAL H H 100 7.906 7.906 7.247 0.659 17948 7150 1 15 . 1 1 101 101 HIS N N 101 119.155 119.155 119.058 0.097 17948 7151 1 15 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.430 0.271 17948 7152 1 15 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.751 -1.551 17948 7153 1 15 . 1 1 101 101 HIS CB C 101 30.048 30.048 30.455 -0.407 17948 7154 1 15 . 1 1 101 101 HIS H H 101 8.130 8.130 7.441 0.689 17948 7155 1 15 . 1 1 102 102 GLY N N 102 109.145 109.145 107.143 2.002 17948 7156 1 15 . 1 1 102 102 GLY CA C 102 45.333 45.333 46.623 -1.290 17948 7157 1 15 . 1 1 102 102 GLY H H 102 8.086 8.086 8.241 -0.155 17948 7158 1 15 . 1 1 103 103 GLU N N 103 119.345 119.345 125.179 -5.834 17948 7159 1 15 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.407 -0.077 17948 7160 1 15 . 1 1 103 103 GLU CA C 103 62.300 62.300 57.631 4.669 17948 7161 1 15 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.325 2.429 17948 7162 1 15 . 1 1 103 103 GLU H H 103 7.932 7.932 8.031 -0.099 17948 7163 1 15 . 1 1 104 104 GLU N N 104 122.105 122.105 119.395 2.710 17948 7164 1 15 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.448 -0.176 17948 7165 1 15 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.464 -0.232 17948 7166 1 15 . 1 1 104 104 GLU CB C 104 30.500 30.500 32.028 -1.528 17948 7167 1 15 . 1 1 104 104 GLU H H 104 8.325 8.325 8.164 0.161 17948 7168 1 15 . 1 1 105 105 ASP N N 105 124.188 124.188 120.285 3.903 17948 7169 1 15 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.502 0.108 17948 7170 1 15 . 1 1 105 105 ASP CA C 105 54.520 54.520 54.382 0.138 17948 7171 1 15 . 1 1 105 105 ASP CB C 105 40.700 40.700 39.483 1.217 17948 7172 1 15 . 1 1 105 105 ASP H H 105 8.077 8.077 7.764 0.313 17948 7173 1 15 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.417 0.067 17948 7174 1 15 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.814 1.010 17948 7175 1 15 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.682 -0.482 17948 7176 1 15 . 1 1 107 107 THR N N 107 111.950 111.950 111.788 0.162 17948 7177 1 15 . 1 1 107 107 THR HA H 107 4.273 4.273 4.610 -0.337 17948 7178 1 15 . 1 1 107 107 THR CA C 107 62.700 62.700 61.536 1.164 17948 7179 1 15 . 1 1 107 107 THR CB C 107 69.400 69.400 69.953 -0.553 17948 7180 1 15 . 1 1 107 107 THR H H 107 8.339 8.339 8.015 0.324 17948 7181 1 15 . 1 1 108 108 LYS N N 108 123.349 123.349 123.678 -0.329 17948 7182 1 15 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.388 -0.031 17948 7183 1 15 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.090 -0.090 17948 7184 1 15 . 1 1 108 108 LYS CB C 108 32.800 32.800 34.261 -1.461 17948 7185 1 15 . 1 1 108 108 LYS H H 108 7.727 7.727 8.394 -0.667 17948 7186 1 16 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.579 0.031 17948 7187 1 16 . 1 1 3 3 ASP H H 3 8.330 8.330 8.539 -0.209 17948 7188 1 16 . 1 1 4 4 ALA N N 4 124.218 124.218 123.644 0.574 17948 7189 1 16 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.289 -0.029 17948 7190 1 16 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.912 0.088 17948 7191 1 16 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.445 -0.480 17948 7192 1 16 . 1 1 4 4 ALA H H 4 8.180 8.180 7.936 0.244 17948 7193 1 16 . 1 1 5 5 GLY N N 5 107.349 107.349 106.988 0.361 17948 7194 1 16 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.182 -0.082 17948 7195 1 16 . 1 1 5 5 GLY H H 5 8.344 8.344 8.558 -0.214 17948 7196 1 16 . 1 1 6 6 ARG N N 6 119.351 119.351 120.131 -0.780 17948 7197 1 16 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.004 0.266 17948 7198 1 16 . 1 1 6 6 ARG H H 6 7.971 7.971 8.346 -0.375 17948 7199 1 16 . 1 1 7 7 LYS N N 7 122.700 122.700 118.937 3.763 17948 7200 1 16 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.167 0.113 17948 7201 1 16 . 1 1 7 7 LYS CA C 7 56.400 56.400 56.195 0.205 17948 7202 1 16 . 1 1 7 7 LYS CB C 7 32.900 32.900 32.273 0.627 17948 7203 1 16 . 1 1 7 7 LYS H H 7 8.034 8.034 8.271 -0.237 17948 7204 1 16 . 1 1 8 8 GLY H H 8 8.340 8.340 8.581 -0.241 17948 7205 1 16 . 1 1 9 9 PHE N N 9 122.017 122.017 119.219 2.798 17948 7206 1 16 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.926 -0.306 17948 7207 1 16 . 1 1 9 9 PHE CA C 9 56.000 56.000 59.620 -3.620 17948 7208 1 16 . 1 1 9 9 PHE CB C 9 39.950 39.950 39.957 -0.007 17948 7209 1 16 . 1 1 9 9 PHE H H 9 8.093 8.093 9.140 -1.047 17948 7210 1 16 . 1 1 10 10 GLY N N 10 120.389 120.389 110.925 9.464 17948 7211 1 16 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.132 0.422 17948 7212 1 16 . 1 1 10 10 GLY H H 10 7.996 7.996 8.041 -0.045 17948 7213 1 16 . 1 1 11 11 GLU N N 11 120.847 120.847 120.649 0.198 17948 7214 1 16 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.371 -0.111 17948 7215 1 16 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.492 0.569 17948 7216 1 16 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.270 -0.070 17948 7217 1 16 . 1 1 11 11 GLU H H 11 8.168 8.168 8.766 -0.598 17948 7218 1 16 . 1 1 12 12 LYS N N 12 121.524 121.524 118.115 3.409 17948 7219 1 16 . 1 1 12 12 LYS HA H 12 4.280 4.280 3.973 0.307 17948 7220 1 16 . 1 1 12 12 LYS CA C 12 56.552 56.552 57.020 -0.469 17948 7221 1 16 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.651 1.149 17948 7222 1 16 . 1 1 12 12 LYS H H 12 8.273 8.273 8.201 0.072 17948 7223 1 16 . 1 1 13 13 ALA N N 13 124.765 124.765 122.613 2.152 17948 7224 1 16 . 1 1 13 13 ALA HA H 13 4.260 4.260 3.996 0.264 17948 7225 1 16 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.917 0.139 17948 7226 1 16 . 1 1 13 13 ALA CB C 13 18.900 18.900 18.108 0.791 17948 7227 1 16 . 1 1 13 13 ALA H H 13 8.288 8.288 8.459 -0.171 17948 7228 1 16 . 1 1 14 14 SER N N 14 114.047 114.047 113.789 0.258 17948 7229 1 16 . 1 1 14 14 SER HA H 14 4.342 4.342 4.501 -0.159 17948 7230 1 16 . 1 1 14 14 SER CA C 14 58.918 58.918 57.760 1.158 17948 7231 1 16 . 1 1 14 14 SER CB C 14 63.539 63.539 64.704 -1.165 17948 7232 1 16 . 1 1 14 14 SER H H 14 8.145 8.145 7.875 0.270 17948 7233 1 16 . 1 1 15 15 GLU N N 15 122.145 122.145 123.421 -1.276 17948 7234 1 16 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.591 -0.331 17948 7235 1 16 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.316 -7.299 17948 7236 1 16 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.692 -0.351 17948 7237 1 16 . 1 1 15 15 GLU H H 15 8.223 8.223 8.519 -0.296 17948 7238 1 16 . 1 1 16 16 ALA N N 16 123.491 123.491 124.040 -0.549 17948 7239 1 16 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.798 -0.514 17948 7240 1 16 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.923 0.577 17948 7241 1 16 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.760 -0.560 17948 7242 1 16 . 1 1 16 16 ALA H H 16 8.033 8.033 8.671 -0.637 17948 7243 1 16 . 1 1 17 17 LEU N N 17 120.066 120.066 122.383 -2.317 17948 7244 1 16 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.517 -0.183 17948 7245 1 16 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.000 -0.100 17948 7246 1 16 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.962 -0.662 17948 7247 1 16 . 1 1 17 17 LEU H H 17 7.901 7.901 8.474 -0.573 17948 7248 1 16 . 1 1 18 18 LYS N N 18 122.658 122.658 120.279 2.379 17948 7249 1 16 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.525 -0.245 17948 7250 1 16 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.783 -0.783 17948 7251 1 16 . 1 1 18 18 LYS CB C 18 32.637 32.637 32.805 -0.168 17948 7252 1 16 . 1 1 18 18 LYS H H 18 8.081 8.081 7.959 0.122 17948 7253 1 16 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.424 0.003 17948 7254 1 16 . 1 1 19 19 PRO CA C 19 63.300 63.300 64.060 -0.760 17948 7255 1 16 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.203 -0.302 17948 7256 1 16 . 1 1 20 20 ASP N N 20 119.912 119.912 116.462 3.450 17948 7257 1 16 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.656 -0.085 17948 7258 1 16 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.019 0.481 17948 7259 1 16 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.335 -0.435 17948 7260 1 16 . 1 1 20 20 ASP H H 20 8.398 8.398 7.745 0.653 17948 7261 1 16 . 1 1 21 21 SER N N 21 115.552 115.552 114.163 1.389 17948 7262 1 16 . 1 1 21 21 SER HA H 21 4.513 4.513 4.130 0.383 17948 7263 1 16 . 1 1 21 21 SER CA C 21 58.726 58.726 58.393 0.333 17948 7264 1 16 . 1 1 21 21 SER CB C 21 63.709 63.709 63.149 0.560 17948 7265 1 16 . 1 1 21 21 SER H H 21 8.113 8.113 8.213 -0.100 17948 7266 1 16 . 1 1 22 22 GLN N N 22 119.920 119.920 119.048 0.872 17948 7267 1 16 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.176 0.104 17948 7268 1 16 . 1 1 22 22 GLN H H 22 8.224 8.224 8.092 0.132 17948 7269 1 16 . 1 1 23 23 LYS N N 23 121.734 121.734 121.517 0.217 17948 7270 1 16 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.150 0.130 17948 7271 1 16 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.846 -0.673 17948 7272 1 16 . 1 1 23 23 LYS CB C 23 30.593 30.593 31.607 -1.014 17948 7273 1 16 . 1 1 23 23 LYS H H 23 8.415 8.415 8.231 0.184 17948 7274 1 16 . 1 1 24 24 SER N N 24 126.408 126.408 118.746 7.662 17948 7275 1 16 . 1 1 24 24 SER HA H 24 4.510 4.510 4.376 0.134 17948 7276 1 16 . 1 1 24 24 SER CA C 24 57.341 57.341 58.131 -0.790 17948 7277 1 16 . 1 1 24 24 SER CB C 24 63.800 63.800 64.246 -0.446 17948 7278 1 16 . 1 1 24 24 SER H H 24 7.595 7.595 8.246 -0.651 17948 7279 1 16 . 1 1 25 25 TYR N N 25 120.790 120.790 118.338 2.452 17948 7280 1 16 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.140 0.316 17948 7281 1 16 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.305 1.431 17948 7282 1 16 . 1 1 25 25 TYR CB C 25 38.069 38.069 35.964 2.105 17948 7283 1 16 . 1 1 25 25 TYR H H 25 8.370 8.370 8.434 -0.064 17948 7284 1 16 . 1 1 26 26 ALA N N 26 122.684 122.684 123.447 -0.763 17948 7285 1 16 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.298 -0.134 17948 7286 1 16 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.283 1.717 17948 7287 1 16 . 1 1 26 26 ALA CB C 26 18.900 18.900 17.255 1.645 17948 7288 1 16 . 1 1 26 26 ALA H H 26 8.405 8.405 8.241 0.164 17948 7289 1 16 . 1 1 27 27 GLU N N 27 118.504 118.504 122.296 -3.792 17948 7290 1 16 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.413 -0.297 17948 7291 1 16 . 1 1 27 27 GLU CA C 27 58.000 58.000 55.197 2.803 17948 7292 1 16 . 1 1 27 27 GLU CB C 27 30.000 30.000 30.720 -0.720 17948 7293 1 16 . 1 1 27 27 GLU H H 27 7.988 7.988 7.926 0.062 17948 7294 1 16 . 1 1 28 28 GLN N N 28 119.735 119.735 118.704 1.031 17948 7295 1 16 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.175 0.049 17948 7296 1 16 . 1 1 28 28 GLN CA C 28 57.600 57.600 56.144 1.456 17948 7297 1 16 . 1 1 28 28 GLN CB C 28 29.400 29.400 28.543 0.857 17948 7298 1 16 . 1 1 28 28 GLN H H 28 8.282 8.282 8.504 -0.222 17948 7299 1 16 . 1 1 29 29 GLY N N 29 108.734 108.734 109.952 -1.218 17948 7300 1 16 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.480 0.920 17948 7301 1 16 . 1 1 29 29 GLY H H 29 8.645 8.645 8.172 0.473 17948 7302 1 16 . 1 1 30 30 LYS N N 30 120.800 120.800 123.657 -2.857 17948 7303 1 16 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.415 -0.135 17948 7304 1 16 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.851 2.141 17948 7305 1 16 . 1 1 30 30 LYS CB C 30 29.800 29.800 33.002 -3.202 17948 7306 1 16 . 1 1 30 30 LYS H H 30 8.140 8.140 8.578 -0.438 17948 7307 1 16 . 1 1 31 31 GLU N N 31 119.994 119.994 121.475 -1.481 17948 7308 1 16 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.026 0.234 17948 7309 1 16 . 1 1 31 31 GLU CA C 31 59.400 59.400 57.155 2.245 17948 7310 1 16 . 1 1 31 31 GLU CB C 31 32.521 32.521 28.395 4.127 17948 7311 1 16 . 1 1 31 31 GLU H H 31 8.039 8.039 8.932 -0.893 17948 7312 1 16 . 1 1 32 32 TYR N N 32 119.254 119.254 119.563 -0.309 17948 7313 1 16 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.468 0.162 17948 7314 1 16 . 1 1 32 32 TYR CA C 32 58.020 58.020 58.848 -0.828 17948 7315 1 16 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.391 -0.231 17948 7316 1 16 . 1 1 32 32 TYR H H 32 7.994 7.994 8.094 -0.100 17948 7317 1 16 . 1 1 33 33 ILE N N 33 121.600 121.600 120.219 1.381 17948 7318 1 16 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.475 -0.451 17948 7319 1 16 . 1 1 33 33 ILE CA C 33 62.100 62.100 60.400 1.700 17948 7320 1 16 . 1 1 33 33 ILE CB C 33 38.300 38.300 39.756 -1.456 17948 7321 1 16 . 1 1 33 33 ILE H H 33 8.260 8.260 7.748 0.512 17948 7322 1 16 . 1 1 34 34 THR N N 34 115.849 115.849 120.916 -5.067 17948 7323 1 16 . 1 1 34 34 THR HA H 34 4.480 4.480 4.584 -0.104 17948 7324 1 16 . 1 1 34 34 THR CA C 34 63.600 63.600 61.118 2.482 17948 7325 1 16 . 1 1 34 34 THR CB C 34 69.300 69.300 70.091 -0.791 17948 7326 1 16 . 1 1 34 34 THR H H 34 8.082 8.082 8.349 -0.267 17948 7327 1 16 . 1 1 35 35 ASP N N 35 122.190 122.190 122.858 -0.668 17948 7328 1 16 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.702 -0.148 17948 7329 1 16 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.252 1.148 17948 7330 1 16 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.427 0.073 17948 7331 1 16 . 1 1 35 35 ASP H H 35 8.102 8.102 8.577 -0.475 17948 7332 1 16 . 1 1 36 36 LYS N N 36 119.451 119.451 124.666 -5.215 17948 7333 1 16 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.471 -0.261 17948 7334 1 16 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.679 -0.180 17948 7335 1 16 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.059 -1.559 17948 7336 1 16 . 1 1 36 36 LYS H H 36 7.983 7.983 8.374 -0.391 17948 7337 1 16 . 1 1 37 37 ALA N N 37 123.038 123.038 127.501 -4.463 17948 7338 1 16 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.562 -0.381 17948 7339 1 16 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.283 1.317 17948 7340 1 16 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.876 -1.076 17948 7341 1 16 . 1 1 37 37 ALA H H 37 8.241 8.241 8.306 -0.065 17948 7342 1 16 . 1 1 38 38 ASP N N 38 118.323 118.323 121.005 -2.682 17948 7343 1 16 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.777 -0.273 17948 7344 1 16 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.348 1.752 17948 7345 1 16 . 1 1 38 38 ASP CB C 38 41.000 41.000 42.537 -1.537 17948 7346 1 16 . 1 1 38 38 ASP H H 38 8.144 8.144 8.125 0.019 17948 7347 1 16 . 1 1 39 39 LYS N N 39 120.011 120.011 120.995 -0.984 17948 7348 1 16 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.324 -0.049 17948 7349 1 16 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.782 0.118 17948 7350 1 16 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.106 -0.352 17948 7351 1 16 . 1 1 39 39 LYS H H 39 7.960 7.960 8.271 -0.311 17948 7352 1 16 . 1 1 40 40 VAL N N 40 119.113 119.113 118.777 0.336 17948 7353 1 16 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.520 -0.476 17948 7354 1 16 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.539 1.361 17948 7355 1 16 . 1 1 40 40 VAL CB C 40 32.500 32.500 33.303 -0.803 17948 7356 1 16 . 1 1 40 40 VAL H H 40 7.948 7.948 8.179 -0.231 17948 7357 1 16 . 1 1 41 41 ALA N N 41 125.220 125.220 127.015 -1.795 17948 7358 1 16 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.623 -0.329 17948 7359 1 16 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.834 1.066 17948 7360 1 16 . 1 1 41 41 ALA CB C 41 19.100 19.100 20.058 -0.958 17948 7361 1 16 . 1 1 41 41 ALA H H 41 8.168 8.168 8.456 -0.288 17948 7362 1 16 . 1 1 42 42 GLY N N 42 107.007 107.007 107.501 -0.494 17948 7363 1 16 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.347 1.053 17948 7364 1 16 . 1 1 42 42 GLY H H 42 8.130 8.130 8.350 -0.220 17948 7365 1 16 . 1 1 43 43 LYS N N 43 122.310 122.310 119.184 3.126 17948 7366 1 16 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.482 -0.111 17948 7367 1 16 . 1 1 43 43 LYS CA C 43 56.000 56.000 56.212 -0.212 17948 7368 1 16 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.457 -0.457 17948 7369 1 16 . 1 1 43 43 LYS H H 43 8.253 8.253 8.157 0.096 17948 7370 1 16 . 1 1 44 44 VAL N N 44 120.734 120.734 119.975 0.759 17948 7371 1 16 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.240 -0.100 17948 7372 1 16 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.112 -0.112 17948 7373 1 16 . 1 1 44 44 VAL CB C 44 32.700 32.700 31.986 0.714 17948 7374 1 16 . 1 1 44 44 VAL H H 44 8.026 8.026 8.264 -0.238 17948 7375 1 16 . 1 1 45 45 GLN N N 45 124.893 124.893 120.767 4.126 17948 7376 1 16 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.602 -0.322 17948 7377 1 16 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.266 -0.866 17948 7378 1 16 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.292 -0.292 17948 7379 1 16 . 1 1 45 45 GLN H H 45 8.385 8.385 7.746 0.639 17948 7380 1 16 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.548 -0.377 17948 7381 1 16 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.268 -1.468 17948 7382 1 16 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.528 0.401 17948 7383 1 16 . 1 1 47 47 GLU N N 47 123.526 123.526 121.474 2.052 17948 7384 1 16 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.397 -0.138 17948 7385 1 16 . 1 1 47 47 GLU CA C 47 56.200 56.200 55.476 0.724 17948 7386 1 16 . 1 1 47 47 GLU CB C 47 30.700 30.700 31.120 -0.420 17948 7387 1 16 . 1 1 47 47 GLU H H 47 8.039 8.039 8.320 -0.281 17948 7388 1 16 . 1 1 48 48 ASP N N 48 122.131 122.131 119.642 2.489 17948 7389 1 16 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.496 0.102 17948 7390 1 16 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.879 1.451 17948 7391 1 16 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.144 -10.444 17948 7392 1 16 . 1 1 48 48 ASP H H 48 8.402 8.402 8.376 0.026 17948 7393 1 16 . 1 1 49 49 ASN N N 49 121.154 121.154 118.602 2.552 17948 7394 1 16 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.726 -0.026 17948 7395 1 16 . 1 1 49 49 ASN CA C 49 51.600 51.600 52.601 -1.001 17948 7396 1 16 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.042 1.530 17948 7397 1 16 . 1 1 49 49 ASN H H 49 8.338 8.338 8.387 -0.049 17948 7398 1 16 . 1 1 50 50 LYS N N 50 120.660 120.660 118.534 2.126 17948 7399 1 16 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.556 -0.257 17948 7400 1 16 . 1 1 50 50 LYS H H 50 8.247 8.247 8.528 -0.281 17948 7401 1 16 . 1 1 51 51 GLY N N 51 108.915 108.915 108.592 0.323 17948 7402 1 16 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.043 0.357 17948 7403 1 16 . 1 1 51 51 GLY H H 51 8.320 8.320 8.722 -0.402 17948 7404 1 16 . 1 1 52 52 VAL N N 52 118.906 118.906 118.715 0.191 17948 7405 1 16 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.369 -0.323 17948 7406 1 16 . 1 1 52 52 VAL CA C 52 62.400 62.400 62.693 -0.293 17948 7407 1 16 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.491 0.009 17948 7408 1 16 . 1 1 52 52 VAL H H 52 7.836 7.836 7.980 -0.144 17948 7409 1 16 . 1 1 53 53 PHE N N 53 123.002 123.002 120.239 2.763 17948 7410 1 16 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.640 0.008 17948 7411 1 16 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.460 0.140 17948 7412 1 16 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.804 -1.404 17948 7413 1 16 . 1 1 53 53 PHE H H 53 8.284 8.284 7.594 0.690 17948 7414 1 16 . 1 1 54 54 GLN N N 54 122.278 122.278 123.453 -1.175 17948 7415 1 16 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.655 -0.342 17948 7416 1 16 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.268 0.532 17948 7417 1 16 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.579 -0.079 17948 7418 1 16 . 1 1 54 54 GLN H H 54 8.223 8.223 9.167 -0.944 17948 7419 1 16 . 1 1 55 55 GLY N N 55 109.285 109.285 110.724 -1.439 17948 7420 1 16 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.938 0.262 17948 7421 1 16 . 1 1 55 55 GLY H H 55 7.900 7.900 8.356 -0.456 17948 7422 1 16 . 1 1 56 56 VAL H H 56 7.898 7.898 8.256 -0.358 17948 7423 1 16 . 1 1 57 57 HIS N N 57 120.411 120.411 124.567 -4.156 17948 7424 1 16 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.907 -0.658 17948 7425 1 16 . 1 1 57 57 HIS H H 57 8.529 8.529 8.514 0.015 17948 7426 1 16 . 1 1 58 58 ASP N N 58 120.960 120.960 120.758 0.202 17948 7427 1 16 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.808 -0.198 17948 7428 1 16 . 1 1 58 58 ASP H H 58 8.234 8.234 8.576 -0.342 17948 7429 1 16 . 1 1 59 59 SER N N 59 116.391 116.391 115.738 0.653 17948 7430 1 16 . 1 1 59 59 SER HA H 59 4.398 4.398 4.491 -0.093 17948 7431 1 16 . 1 1 59 59 SER CA C 59 58.500 58.500 58.357 0.143 17948 7432 1 16 . 1 1 59 59 SER CB C 59 63.700 63.700 63.517 0.183 17948 7433 1 16 . 1 1 59 59 SER H H 59 8.248 8.248 8.109 0.139 17948 7434 1 16 . 1 1 60 60 ALA N N 60 125.620 125.620 126.963 -1.343 17948 7435 1 16 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.795 -0.487 17948 7436 1 16 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.461 0.339 17948 7437 1 16 . 1 1 60 60 ALA CB C 60 19.161 19.161 20.516 -1.355 17948 7438 1 16 . 1 1 60 60 ALA H H 60 8.290 8.290 8.245 0.045 17948 7439 1 16 . 1 1 61 61 GLU N N 61 119.550 119.550 120.282 -0.732 17948 7440 1 16 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.528 -0.277 17948 7441 1 16 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.389 0.211 17948 7442 1 16 . 1 1 61 61 GLU CB C 61 30.100 30.100 31.852 -1.752 17948 7443 1 16 . 1 1 61 61 GLU H H 61 8.206 8.206 8.581 -0.375 17948 7444 1 16 . 1 1 62 62 LYS N N 62 122.003 122.003 121.854 0.149 17948 7445 1 16 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.615 -0.315 17948 7446 1 16 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.703 0.097 17948 7447 1 16 . 1 1 62 62 LYS CB C 62 32.900 32.900 32.016 0.884 17948 7448 1 16 . 1 1 62 62 LYS H H 62 8.157 8.157 8.663 -0.506 17948 7449 1 16 . 1 1 63 63 GLY N N 63 109.728 109.728 110.063 -0.335 17948 7450 1 16 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.072 0.228 17948 7451 1 16 . 1 1 63 63 GLY H H 63 8.371 8.371 8.009 0.362 17948 7452 1 16 . 1 1 64 64 LYS N N 64 120.537 120.537 119.475 1.062 17948 7453 1 16 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.538 -0.198 17948 7454 1 16 . 1 1 64 64 LYS CA C 64 56.200 56.200 58.437 -2.237 17948 7455 1 16 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.156 -0.156 17948 7456 1 16 . 1 1 64 64 LYS H H 64 8.078 8.078 8.780 -0.702 17948 7457 1 16 . 1 1 65 65 ASP N N 65 120.981 120.981 116.019 4.962 17948 7458 1 16 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.631 -0.041 17948 7459 1 16 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.682 0.618 17948 7460 1 16 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.239 -0.039 17948 7461 1 16 . 1 1 65 65 ASP H H 65 8.336 8.336 8.288 0.048 17948 7462 1 16 . 1 1 66 66 ASN N N 66 119.056 119.056 116.833 2.223 17948 7463 1 16 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.710 -0.019 17948 7464 1 16 . 1 1 66 66 ASN CA C 66 53.200 53.200 52.649 0.551 17948 7465 1 16 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.555 -0.555 17948 7466 1 16 . 1 1 66 66 ASN H H 66 8.280 8.280 7.866 0.414 17948 7467 1 16 . 1 1 67 67 ALA N N 67 124.164 124.164 122.246 1.918 17948 7468 1 16 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.552 -0.239 17948 7469 1 16 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.824 0.900 17948 7470 1 16 . 1 1 67 67 ALA CB C 67 19.171 19.171 20.016 -0.845 17948 7471 1 16 . 1 1 67 67 ALA H H 67 8.248 8.248 8.443 -0.195 17948 7472 1 16 . 1 1 68 68 GLU N N 68 119.599 119.599 117.055 2.544 17948 7473 1 16 . 1 1 68 68 GLU HA H 68 4.282 4.282 3.930 0.352 17948 7474 1 16 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.738 0.074 17948 7475 1 16 . 1 1 68 68 GLU CB C 68 30.126 30.126 28.588 1.538 17948 7476 1 16 . 1 1 68 68 GLU H H 68 8.295 8.295 8.700 -0.405 17948 7477 1 16 . 1 1 69 69 GLY N N 69 109.616 109.616 103.851 5.765 17948 7478 1 16 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.330 0.110 17948 7479 1 16 . 1 1 69 69 GLY H H 69 8.348 8.348 8.059 0.289 17948 7480 1 16 . 1 1 70 70 GLN N N 70 119.476 119.476 117.220 2.256 17948 7481 1 16 . 1 1 70 70 GLN HA H 70 4.388 4.388 3.854 0.534 17948 7482 1 16 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.567 -0.707 17948 7483 1 16 . 1 1 70 70 GLN CB C 70 29.500 29.500 26.946 2.554 17948 7484 1 16 . 1 1 70 70 GLN H H 70 8.200 8.200 8.022 0.178 17948 7485 1 16 . 1 1 71 71 GLY N N 71 109.928 109.928 110.118 -0.190 17948 7486 1 16 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.434 0.926 17948 7487 1 16 . 1 1 71 71 GLY H H 71 8.438 8.438 8.330 0.108 17948 7488 1 16 . 1 1 72 72 GLU N N 72 120.438 120.438 119.302 1.136 17948 7489 1 16 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.275 0.123 17948 7490 1 16 . 1 1 72 72 GLU CA C 72 56.400 56.400 57.708 -1.308 17948 7491 1 16 . 1 1 72 72 GLU CB C 72 30.700 30.700 28.454 2.246 17948 7492 1 16 . 1 1 72 72 GLU H H 72 8.296 8.296 8.622 -0.326 17948 7493 1 16 . 1 1 73 73 SER N N 73 117.699 117.699 115.758 1.941 17948 7494 1 16 . 1 1 73 73 SER HA H 73 4.601 4.601 4.399 0.202 17948 7495 1 16 . 1 1 73 73 SER CA C 73 58.011 58.011 59.443 -1.431 17948 7496 1 16 . 1 1 73 73 SER CB C 73 64.816 64.816 63.866 0.950 17948 7497 1 16 . 1 1 73 73 SER H H 73 8.666 8.666 8.437 0.229 17948 7498 1 16 . 1 1 74 74 LEU N N 74 125.422 125.422 124.915 0.507 17948 7499 1 16 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.297 -0.056 17948 7500 1 16 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.718 1.005 17948 7501 1 16 . 1 1 74 74 LEU CB C 74 42.155 42.155 42.107 0.048 17948 7502 1 16 . 1 1 74 74 LEU H H 74 8.899 8.899 7.873 1.026 17948 7503 1 16 . 1 1 75 75 ALA N N 75 120.685 120.685 122.360 -1.675 17948 7504 1 16 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.813 0.208 17948 7505 1 16 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.535 -0.735 17948 7506 1 16 . 1 1 75 75 ALA CB C 75 18.600 18.600 17.711 0.889 17948 7507 1 16 . 1 1 75 75 ALA H H 75 8.389 8.389 8.211 0.178 17948 7508 1 16 . 1 1 76 76 ASP N N 76 117.754 117.754 118.280 -0.526 17948 7509 1 16 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.336 0.098 17948 7510 1 16 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.063 -0.363 17948 7511 1 16 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.891 -0.208 17948 7512 1 16 . 1 1 76 76 ASP H H 76 7.777 7.777 7.766 0.011 17948 7513 1 16 . 1 1 77 77 GLN N N 77 119.402 119.402 118.836 0.566 17948 7514 1 16 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.012 0.209 17948 7515 1 16 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.555 -0.711 17948 7516 1 16 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.564 1.038 17948 7517 1 16 . 1 1 77 77 GLN H H 77 8.038 8.038 7.624 0.414 17948 7518 1 16 . 1 1 78 78 ALA N N 78 121.376 121.376 122.300 -0.924 17948 7519 1 16 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.149 0.022 17948 7520 1 16 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.770 -0.220 17948 7521 1 16 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.238 0.615 17948 7522 1 16 . 1 1 78 78 ALA H H 78 8.427 8.427 8.589 -0.162 17948 7523 1 16 . 1 1 79 79 ARG N N 79 117.905 117.905 119.166 -1.261 17948 7524 1 16 . 1 1 79 79 ARG HA H 79 4.018 4.018 3.991 0.027 17948 7525 1 16 . 1 1 79 79 ARG CA C 79 59.293 59.293 59.590 -0.297 17948 7526 1 16 . 1 1 79 79 ARG CB C 79 30.159 30.159 30.200 -0.041 17948 7527 1 16 . 1 1 79 79 ARG H H 79 8.031 8.031 7.843 0.188 17948 7528 1 16 . 1 1 80 80 ASP N N 80 120.290 120.290 119.420 0.870 17948 7529 1 16 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.455 0.106 17948 7530 1 16 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.398 -1.122 17948 7531 1 16 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.879 -0.379 17948 7532 1 16 . 1 1 80 80 ASP H H 80 8.126 8.126 8.255 -0.129 17948 7533 1 16 . 1 1 81 81 TYR N N 81 120.191 120.191 120.187 0.004 17948 7534 1 16 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.336 0.004 17948 7535 1 16 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.451 0.668 17948 7536 1 16 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.695 -0.195 17948 7537 1 16 . 1 1 81 81 TYR H H 81 8.250 8.250 7.635 0.615 17948 7538 1 16 . 1 1 82 82 MET N N 82 117.996 117.996 119.018 -1.022 17948 7539 1 16 . 1 1 82 82 MET HA H 82 4.222 4.222 3.943 0.279 17948 7540 1 16 . 1 1 82 82 MET CA C 82 58.618 58.618 59.726 -1.108 17948 7541 1 16 . 1 1 82 82 MET CB C 82 32.875 32.875 32.267 0.608 17948 7542 1 16 . 1 1 82 82 MET H H 82 8.354 8.354 8.434 -0.080 17948 7543 1 16 . 1 1 83 83 GLY N N 83 106.902 106.902 104.585 2.317 17948 7544 1 16 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.196 0.004 17948 7545 1 16 . 1 1 83 83 GLY H H 83 8.365 8.365 7.843 0.522 17948 7546 1 16 . 1 1 84 84 ALA N N 84 124.830 124.830 123.637 1.193 17948 7547 1 16 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.205 0.113 17948 7548 1 16 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.567 0.711 17948 7549 1 16 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.476 0.093 17948 7550 1 16 . 1 1 84 84 ALA H H 84 7.950 7.950 7.251 0.699 17948 7551 1 16 . 1 1 85 85 ALA N N 85 120.542 120.542 121.239 -0.697 17948 7552 1 16 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.848 0.189 17948 7553 1 16 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.796 0.183 17948 7554 1 16 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.100 0.400 17948 7555 1 16 . 1 1 85 85 ALA H H 85 8.274 8.274 8.062 0.212 17948 7556 1 16 . 1 1 86 86 LYS N N 86 116.920 116.920 119.462 -2.542 17948 7557 1 16 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.968 -0.081 17948 7558 1 16 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.610 0.450 17948 7559 1 16 . 1 1 86 86 LYS CB C 86 32.300 32.300 32.335 -0.035 17948 7560 1 16 . 1 1 86 86 LYS H H 86 8.265 8.265 7.580 0.685 17948 7561 1 16 . 1 1 87 87 SER N N 87 113.664 113.664 114.929 -1.265 17948 7562 1 16 . 1 1 87 87 SER HA H 87 4.312 4.312 4.097 0.215 17948 7563 1 16 . 1 1 87 87 SER CA C 87 61.330 61.330 61.720 -0.390 17948 7564 1 16 . 1 1 87 87 SER CB C 87 62.900 62.900 62.589 0.311 17948 7565 1 16 . 1 1 87 87 SER H H 87 7.926 7.926 7.678 0.248 17948 7566 1 16 . 1 1 88 88 LYS N N 88 120.310 120.310 121.334 -1.024 17948 7567 1 16 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.066 0.320 17948 7568 1 16 . 1 1 88 88 LYS CA C 88 57.344 57.344 58.876 -1.532 17948 7569 1 16 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.327 -0.527 17948 7570 1 16 . 1 1 88 88 LYS H H 88 7.859 7.859 7.611 0.248 17948 7571 1 16 . 1 1 89 89 LEU N N 89 119.648 119.648 121.686 -2.038 17948 7572 1 16 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.951 0.150 17948 7573 1 16 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.803 0.264 17948 7574 1 16 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.898 0.602 17948 7575 1 16 . 1 1 89 89 LEU H H 89 8.158 8.158 7.818 0.340 17948 7576 1 16 . 1 1 90 90 ASN N N 90 117.422 117.422 117.139 0.283 17948 7577 1 16 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.381 0.017 17948 7578 1 16 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.699 0.360 17948 7579 1 16 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.262 0.238 17948 7580 1 16 . 1 1 90 90 ASN H H 90 8.240 8.240 7.926 0.314 17948 7581 1 16 . 1 1 91 91 ASP N N 91 119.945 119.945 118.986 0.959 17948 7582 1 16 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.505 -0.063 17948 7583 1 16 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.404 -0.060 17948 7584 1 16 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.879 -0.579 17948 7585 1 16 . 1 1 91 91 ASP H H 91 8.111 8.111 7.396 0.715 17948 7586 1 16 . 1 1 92 92 ALA N N 92 123.226 123.226 122.812 0.414 17948 7587 1 16 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.254 -0.080 17948 7588 1 16 . 1 1 92 92 ALA CA C 92 55.373 55.373 55.018 0.355 17948 7589 1 16 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.563 -0.263 17948 7590 1 16 . 1 1 92 92 ALA H H 92 8.240 8.240 7.619 0.621 17948 7591 1 16 . 1 1 93 93 VAL N N 93 117.940 117.940 119.674 -1.734 17948 7592 1 16 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.677 -0.078 17948 7593 1 16 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.092 0.801 17948 7594 1 16 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.260 0.353 17948 7595 1 16 . 1 1 93 93 VAL H H 93 8.410 8.410 8.267 0.143 17948 7596 1 16 . 1 1 94 94 GLU N N 94 120.610 120.610 118.273 2.337 17948 7597 1 16 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.025 0.025 17948 7598 1 16 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.117 0.483 17948 7599 1 16 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.314 0.286 17948 7600 1 16 . 1 1 94 94 GLU H H 94 8.289 8.289 7.866 0.423 17948 7601 1 16 . 1 1 95 95 TYR N N 95 120.241 120.241 119.682 0.559 17948 7602 1 16 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.205 0.065 17948 7603 1 16 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.916 -0.616 17948 7604 1 16 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.747 -0.047 17948 7605 1 16 . 1 1 95 95 TYR H H 95 8.186 8.186 7.572 0.614 17948 7606 1 16 . 1 1 96 96 VAL N N 96 116.942 116.942 118.433 -1.491 17948 7607 1 16 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.693 -0.147 17948 7608 1 16 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.209 -0.139 17948 7609 1 16 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.542 0.203 17948 7610 1 16 . 1 1 96 96 VAL H H 96 8.394 8.394 8.303 0.091 17948 7611 1 16 . 1 1 97 97 SER N N 97 113.924 113.924 115.353 -1.429 17948 7612 1 16 . 1 1 97 97 SER HA H 97 4.145 4.145 4.255 -0.110 17948 7613 1 16 . 1 1 97 97 SER CA C 97 61.393 61.393 61.243 0.150 17948 7614 1 16 . 1 1 97 97 SER CB C 97 63.415 63.415 62.593 0.822 17948 7615 1 16 . 1 1 97 97 SER H H 97 8.433 8.433 8.414 0.019 17948 7616 1 16 . 1 1 98 98 GLY N N 98 107.509 107.509 108.575 -1.066 17948 7617 1 16 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.063 0.235 17948 7618 1 16 . 1 1 98 98 GLY H H 98 7.899 7.899 7.557 0.342 17948 7619 1 16 . 1 1 99 99 ARG N N 99 119.471 119.471 120.062 -0.591 17948 7620 1 16 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.201 0.067 17948 7621 1 16 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.732 -0.205 17948 7622 1 16 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.316 -0.016 17948 7623 1 16 . 1 1 99 99 ARG H H 99 7.696 7.696 7.472 0.224 17948 7624 1 16 . 1 1 100 100 VAL N N 100 117.316 117.316 118.935 -1.619 17948 7625 1 16 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.816 0.144 17948 7626 1 16 . 1 1 100 100 VAL CA C 100 63.400 63.400 63.414 -0.014 17948 7627 1 16 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.907 0.413 17948 7628 1 16 . 1 1 100 100 VAL H H 100 7.906 7.906 7.448 0.458 17948 7629 1 16 . 1 1 101 101 HIS N N 101 119.155 119.155 117.535 1.620 17948 7630 1 16 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.235 0.466 17948 7631 1 16 . 1 1 101 101 HIS CA C 101 56.200 56.200 56.050 0.150 17948 7632 1 16 . 1 1 101 101 HIS CB C 101 30.048 30.048 28.140 1.908 17948 7633 1 16 . 1 1 101 101 HIS H H 101 8.130 8.130 7.825 0.305 17948 7634 1 16 . 1 1 102 102 GLY N N 102 109.145 109.145 107.114 2.031 17948 7635 1 16 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.748 -0.415 17948 7636 1 16 . 1 1 102 102 GLY H H 102 8.086 8.086 8.554 -0.468 17948 7637 1 16 . 1 1 103 103 GLU N N 103 119.345 119.345 119.424 -0.079 17948 7638 1 16 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.413 -0.083 17948 7639 1 16 . 1 1 103 103 GLU CA C 103 62.300 62.300 57.034 5.266 17948 7640 1 16 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.434 1.319 17948 7641 1 16 . 1 1 103 103 GLU H H 103 7.932 7.932 8.092 -0.160 17948 7642 1 16 . 1 1 104 104 GLU N N 104 122.105 122.105 122.101 0.004 17948 7643 1 16 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.547 -0.275 17948 7644 1 16 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.878 -0.646 17948 7645 1 16 . 1 1 104 104 GLU CB C 104 30.500 30.500 30.447 0.053 17948 7646 1 16 . 1 1 104 104 GLU H H 104 8.325 8.325 8.652 -0.327 17948 7647 1 16 . 1 1 105 105 ASP N N 105 124.188 124.188 121.503 2.685 17948 7648 1 16 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.869 -0.259 17948 7649 1 16 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.359 1.161 17948 7650 1 16 . 1 1 105 105 ASP CB C 105 40.700 40.700 40.335 0.365 17948 7651 1 16 . 1 1 105 105 ASP H H 105 8.077 8.077 8.057 0.020 17948 7652 1 16 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.937 -0.453 17948 7653 1 16 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.142 0.682 17948 7654 1 16 . 1 1 106 106 PRO CB C 106 32.200 32.200 31.981 0.219 17948 7655 1 16 . 1 1 107 107 THR N N 107 111.950 111.950 112.222 -0.272 17948 7656 1 16 . 1 1 107 107 THR HA H 107 4.273 4.273 4.767 -0.494 17948 7657 1 16 . 1 1 107 107 THR CA C 107 62.700 62.700 61.846 0.855 17948 7658 1 16 . 1 1 107 107 THR CB C 107 69.400 69.400 71.355 -1.955 17948 7659 1 16 . 1 1 107 107 THR H H 107 8.339 8.339 8.492 -0.153 17948 7660 1 16 . 1 1 108 108 LYS N N 108 123.349 123.349 121.761 1.588 17948 7661 1 16 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.877 -0.520 17948 7662 1 16 . 1 1 108 108 LYS CA C 108 56.000 56.000 55.662 0.338 17948 7663 1 16 . 1 1 108 108 LYS CB C 108 32.800 32.800 34.597 -1.797 17948 7664 1 16 . 1 1 108 108 LYS H H 108 7.727 7.727 8.782 -1.055 17948 7665 1 17 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.591 0.019 17948 7666 1 17 . 1 1 3 3 ASP H H 3 8.330 8.330 8.486 -0.156 17948 7667 1 17 . 1 1 4 4 ALA N N 4 124.218 124.218 122.224 1.994 17948 7668 1 17 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.141 0.119 17948 7669 1 17 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.294 0.706 17948 7670 1 17 . 1 1 4 4 ALA CB C 4 18.965 18.965 18.924 0.041 17948 7671 1 17 . 1 1 4 4 ALA H H 4 8.180 8.180 7.870 0.310 17948 7672 1 17 . 1 1 5 5 GLY N N 5 107.349 107.349 107.522 -0.173 17948 7673 1 17 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.303 -0.203 17948 7674 1 17 . 1 1 5 5 GLY H H 5 8.344 8.344 9.922 -1.578 17948 7675 1 17 . 1 1 6 6 ARG N N 6 119.351 119.351 121.295 -1.944 17948 7676 1 17 . 1 1 6 6 ARG HA H 6 4.270 4.270 5.067 -0.797 17948 7677 1 17 . 1 1 6 6 ARG H H 6 7.971 7.971 8.954 -0.983 17948 7678 1 17 . 1 1 7 7 LYS N N 7 122.700 122.700 120.261 2.439 17948 7679 1 17 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.977 -0.697 17948 7680 1 17 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.899 0.501 17948 7681 1 17 . 1 1 7 7 LYS CB C 7 32.900 32.900 34.918 -2.018 17948 7682 1 17 . 1 1 7 7 LYS H H 7 8.034 8.034 9.141 -1.107 17948 7683 1 17 . 1 1 8 8 GLY H H 8 8.340 8.340 8.732 -0.392 17948 7684 1 17 . 1 1 9 9 PHE N N 9 122.017 122.017 119.754 2.263 17948 7685 1 17 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.395 -0.775 17948 7686 1 17 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.911 -2.911 17948 7687 1 17 . 1 1 9 9 PHE CB C 9 39.950 39.950 41.280 -1.330 17948 7688 1 17 . 1 1 9 9 PHE H H 9 8.093 8.093 9.505 -1.412 17948 7689 1 17 . 1 1 10 10 GLY N N 10 120.389 120.389 108.772 11.617 17948 7690 1 17 . 1 1 10 10 GLY CA C 10 45.554 45.554 45.190 0.364 17948 7691 1 17 . 1 1 10 10 GLY H H 10 7.996 7.996 8.552 -0.556 17948 7692 1 17 . 1 1 11 11 GLU N N 11 120.847 120.847 120.518 0.329 17948 7693 1 17 . 1 1 11 11 GLU HA H 11 4.260 4.260 3.972 0.288 17948 7694 1 17 . 1 1 11 11 GLU CA C 11 57.061 57.061 57.187 -0.126 17948 7695 1 17 . 1 1 11 11 GLU CB C 11 30.200 30.200 28.608 1.591 17948 7696 1 17 . 1 1 11 11 GLU H H 11 8.168 8.168 8.320 -0.152 17948 7697 1 17 . 1 1 12 12 LYS N N 12 121.524 121.524 120.065 1.459 17948 7698 1 17 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.510 -0.230 17948 7699 1 17 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.712 0.840 17948 7700 1 17 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.793 0.007 17948 7701 1 17 . 1 1 12 12 LYS H H 12 8.273 8.273 7.937 0.336 17948 7702 1 17 . 1 1 13 13 ALA N N 13 124.765 124.765 126.605 -1.840 17948 7703 1 17 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.519 -0.259 17948 7704 1 17 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.884 1.172 17948 7705 1 17 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.451 -0.551 17948 7706 1 17 . 1 1 13 13 ALA H H 13 8.288 8.288 8.581 -0.293 17948 7707 1 17 . 1 1 14 14 SER N N 14 114.047 114.047 114.496 -0.449 17948 7708 1 17 . 1 1 14 14 SER HA H 14 4.342 4.342 4.259 0.083 17948 7709 1 17 . 1 1 14 14 SER CA C 14 58.918 58.918 58.820 0.098 17948 7710 1 17 . 1 1 14 14 SER CB C 14 63.539 63.539 63.545 -0.006 17948 7711 1 17 . 1 1 14 14 SER H H 14 8.145 8.145 8.202 -0.057 17948 7712 1 17 . 1 1 15 15 GLU N N 15 122.145 122.145 119.204 2.941 17948 7713 1 17 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.453 -0.193 17948 7714 1 17 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.956 -7.939 17948 7715 1 17 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.860 -0.519 17948 7716 1 17 . 1 1 15 15 GLU H H 15 8.223 8.223 8.346 -0.123 17948 7717 1 17 . 1 1 16 16 ALA N N 16 123.491 123.491 122.868 0.623 17948 7718 1 17 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.922 -0.638 17948 7719 1 17 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.044 0.456 17948 7720 1 17 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.442 -0.242 17948 7721 1 17 . 1 1 16 16 ALA H H 16 8.033 8.033 8.565 -0.532 17948 7722 1 17 . 1 1 17 17 LEU N N 17 120.066 120.066 118.940 1.126 17948 7723 1 17 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.690 -0.356 17948 7724 1 17 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.558 -0.658 17948 7725 1 17 . 1 1 17 17 LEU CB C 17 42.300 42.300 42.499 -0.199 17948 7726 1 17 . 1 1 17 17 LEU H H 17 7.901 7.901 8.541 -0.640 17948 7727 1 17 . 1 1 18 18 LYS N N 18 122.658 122.658 119.583 3.075 17948 7728 1 17 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.648 -0.368 17948 7729 1 17 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.011 -1.011 17948 7730 1 17 . 1 1 18 18 LYS CB C 18 32.637 32.637 34.652 -2.015 17948 7731 1 17 . 1 1 18 18 LYS H H 18 8.081 8.081 8.097 -0.016 17948 7732 1 17 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.660 -0.233 17948 7733 1 17 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.229 0.071 17948 7734 1 17 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.230 -0.330 17948 7735 1 17 . 1 1 20 20 ASP N N 20 119.912 119.912 117.963 1.949 17948 7736 1 17 . 1 1 20 20 ASP HA H 20 4.571 4.571 5.103 -0.532 17948 7737 1 17 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.941 0.558 17948 7738 1 17 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.544 -0.644 17948 7739 1 17 . 1 1 20 20 ASP H H 20 8.398 8.398 8.568 -0.170 17948 7740 1 17 . 1 1 21 21 SER N N 21 115.552 115.552 117.226 -1.674 17948 7741 1 17 . 1 1 21 21 SER HA H 21 4.513 4.513 5.052 -0.539 17948 7742 1 17 . 1 1 21 21 SER CA C 21 58.726 58.726 57.973 0.753 17948 7743 1 17 . 1 1 21 21 SER CB C 21 63.709 63.709 64.710 -1.001 17948 7744 1 17 . 1 1 21 21 SER H H 21 8.113 8.113 8.382 -0.269 17948 7745 1 17 . 1 1 22 22 GLN N N 22 119.920 119.920 120.260 -0.340 17948 7746 1 17 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.714 -0.434 17948 7747 1 17 . 1 1 22 22 GLN H H 22 8.224 8.224 8.572 -0.348 17948 7748 1 17 . 1 1 23 23 LYS N N 23 121.734 121.734 120.403 1.331 17948 7749 1 17 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.350 -0.070 17948 7750 1 17 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.802 -0.629 17948 7751 1 17 . 1 1 23 23 LYS CB C 23 30.593 30.593 32.767 -2.174 17948 7752 1 17 . 1 1 23 23 LYS H H 23 8.415 8.415 8.610 -0.195 17948 7753 1 17 . 1 1 24 24 SER N N 24 126.408 126.408 115.521 10.887 17948 7754 1 17 . 1 1 24 24 SER HA H 24 4.510 4.510 4.279 0.231 17948 7755 1 17 . 1 1 24 24 SER CA C 24 57.341 57.341 58.986 -1.645 17948 7756 1 17 . 1 1 24 24 SER CB C 24 63.800 63.800 63.422 0.378 17948 7757 1 17 . 1 1 24 24 SER H H 24 7.595 7.595 7.895 -0.300 17948 7758 1 17 . 1 1 25 25 TYR N N 25 120.790 120.790 118.800 1.990 17948 7759 1 17 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.559 -0.103 17948 7760 1 17 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.328 1.408 17948 7761 1 17 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.456 -1.387 17948 7762 1 17 . 1 1 25 25 TYR H H 25 8.370 8.370 8.194 0.176 17948 7763 1 17 . 1 1 26 26 ALA N N 26 122.684 122.684 124.735 -2.051 17948 7764 1 17 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.329 -0.165 17948 7765 1 17 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.210 1.790 17948 7766 1 17 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.183 -0.283 17948 7767 1 17 . 1 1 26 26 ALA H H 26 8.405 8.405 7.739 0.666 17948 7768 1 17 . 1 1 27 27 GLU N N 27 118.504 118.504 118.259 0.245 17948 7769 1 17 . 1 1 27 27 GLU HA H 27 4.116 4.116 3.912 0.204 17948 7770 1 17 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.683 1.317 17948 7771 1 17 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.723 0.278 17948 7772 1 17 . 1 1 27 27 GLU H H 27 7.988 7.988 8.162 -0.174 17948 7773 1 17 . 1 1 28 28 GLN N N 28 119.735 119.735 117.711 2.024 17948 7774 1 17 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.113 0.111 17948 7775 1 17 . 1 1 28 28 GLN CA C 28 57.600 57.600 56.343 1.257 17948 7776 1 17 . 1 1 28 28 GLN CB C 28 29.400 29.400 28.963 0.437 17948 7777 1 17 . 1 1 28 28 GLN H H 28 8.282 8.282 8.151 0.131 17948 7778 1 17 . 1 1 29 29 GLY N N 29 108.734 108.734 110.133 -1.399 17948 7779 1 17 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.861 1.540 17948 7780 1 17 . 1 1 29 29 GLY H H 29 8.645 8.645 8.536 0.109 17948 7781 1 17 . 1 1 30 30 LYS N N 30 120.800 120.800 121.626 -0.826 17948 7782 1 17 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.501 -0.221 17948 7783 1 17 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.600 2.392 17948 7784 1 17 . 1 1 30 30 LYS CB C 30 29.800 29.800 34.749 -4.949 17948 7785 1 17 . 1 1 30 30 LYS H H 30 8.140 8.140 8.058 0.082 17948 7786 1 17 . 1 1 31 31 GLU N N 31 119.994 119.994 119.823 0.171 17948 7787 1 17 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.397 -0.137 17948 7788 1 17 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.247 3.153 17948 7789 1 17 . 1 1 31 31 GLU CB C 31 32.521 32.521 31.237 1.284 17948 7790 1 17 . 1 1 31 31 GLU H H 31 8.039 8.039 8.227 -0.188 17948 7791 1 17 . 1 1 32 32 TYR N N 32 119.254 119.254 122.726 -3.472 17948 7792 1 17 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.633 -0.003 17948 7793 1 17 . 1 1 32 32 TYR CA C 32 58.020 58.020 58.032 -0.012 17948 7794 1 17 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.083 0.077 17948 7795 1 17 . 1 1 32 32 TYR H H 32 7.994 7.994 8.506 -0.512 17948 7796 1 17 . 1 1 33 33 ILE N N 33 121.600 121.600 120.408 1.192 17948 7797 1 17 . 1 1 33 33 ILE HA H 33 4.024 4.024 3.976 0.048 17948 7798 1 17 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.581 0.519 17948 7799 1 17 . 1 1 33 33 ILE CB C 33 38.300 38.300 37.976 0.324 17948 7800 1 17 . 1 1 33 33 ILE H H 33 8.260 8.260 8.166 0.094 17948 7801 1 17 . 1 1 34 34 THR N N 34 115.849 115.849 119.104 -3.255 17948 7802 1 17 . 1 1 34 34 THR HA H 34 4.480 4.480 4.405 0.075 17948 7803 1 17 . 1 1 34 34 THR CA C 34 63.600 63.600 62.965 0.635 17948 7804 1 17 . 1 1 34 34 THR CB C 34 69.300 69.300 69.419 -0.119 17948 7805 1 17 . 1 1 34 34 THR H H 34 8.082 8.082 8.259 -0.177 17948 7806 1 17 . 1 1 35 35 ASP N N 35 122.190 122.190 119.836 2.354 17948 7807 1 17 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.682 -0.128 17948 7808 1 17 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.569 1.831 17948 7809 1 17 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.795 -0.295 17948 7810 1 17 . 1 1 35 35 ASP H H 35 8.102 8.102 7.957 0.145 17948 7811 1 17 . 1 1 36 36 LYS N N 36 119.451 119.451 118.247 1.204 17948 7812 1 17 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.546 -0.336 17948 7813 1 17 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.715 0.785 17948 7814 1 17 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.342 -0.842 17948 7815 1 17 . 1 1 36 36 LYS H H 36 7.983 7.983 8.321 -0.338 17948 7816 1 17 . 1 1 37 37 ALA N N 37 123.038 123.038 123.861 -0.823 17948 7817 1 17 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.960 -0.779 17948 7818 1 17 . 1 1 37 37 ALA CA C 37 53.600 53.600 51.733 1.867 17948 7819 1 17 . 1 1 37 37 ALA CB C 37 18.800 18.800 20.891 -2.091 17948 7820 1 17 . 1 1 37 37 ALA H H 37 8.241 8.241 8.753 -0.512 17948 7821 1 17 . 1 1 38 38 ASP N N 38 118.323 118.323 119.725 -1.402 17948 7822 1 17 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.967 -0.463 17948 7823 1 17 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.932 1.168 17948 7824 1 17 . 1 1 38 38 ASP CB C 38 41.000 41.000 43.253 -2.253 17948 7825 1 17 . 1 1 38 38 ASP H H 38 8.144 8.144 8.627 -0.483 17948 7826 1 17 . 1 1 39 39 LYS N N 39 120.011 120.011 120.612 -0.601 17948 7827 1 17 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.483 -0.208 17948 7828 1 17 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.978 0.922 17948 7829 1 17 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.596 -0.841 17948 7830 1 17 . 1 1 39 39 LYS H H 39 7.960 7.960 8.308 -0.348 17948 7831 1 17 . 1 1 40 40 VAL N N 40 119.113 119.113 119.705 -0.592 17948 7832 1 17 . 1 1 40 40 VAL HA H 40 4.044 4.044 3.814 0.230 17948 7833 1 17 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.381 0.519 17948 7834 1 17 . 1 1 40 40 VAL CB C 40 32.500 32.500 31.699 0.801 17948 7835 1 17 . 1 1 40 40 VAL H H 40 7.948 7.948 7.887 0.061 17948 7836 1 17 . 1 1 41 41 ALA N N 41 125.220 125.220 126.908 -1.688 17948 7837 1 17 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.614 -0.320 17948 7838 1 17 . 1 1 41 41 ALA CA C 41 52.900 52.900 52.056 0.844 17948 7839 1 17 . 1 1 41 41 ALA CB C 41 19.100 19.100 20.635 -1.535 17948 7840 1 17 . 1 1 41 41 ALA H H 41 8.168 8.168 8.408 -0.240 17948 7841 1 17 . 1 1 42 42 GLY N N 42 107.007 107.007 107.426 -0.419 17948 7842 1 17 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.752 0.648 17948 7843 1 17 . 1 1 42 42 GLY H H 42 8.130 8.130 8.919 -0.789 17948 7844 1 17 . 1 1 43 43 LYS N N 43 122.310 122.310 118.864 3.446 17948 7845 1 17 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.771 -0.400 17948 7846 1 17 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.669 0.331 17948 7847 1 17 . 1 1 43 43 LYS CB C 43 33.000 33.000 35.087 -2.087 17948 7848 1 17 . 1 1 43 43 LYS H H 43 8.253 8.253 8.767 -0.514 17948 7849 1 17 . 1 1 44 44 VAL N N 44 120.734 120.734 118.239 2.495 17948 7850 1 17 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.752 -0.612 17948 7851 1 17 . 1 1 44 44 VAL CA C 44 62.000 62.000 61.325 0.675 17948 7852 1 17 . 1 1 44 44 VAL CB C 44 32.700 32.700 34.084 -1.383 17948 7853 1 17 . 1 1 44 44 VAL H H 44 8.026 8.026 8.679 -0.653 17948 7854 1 17 . 1 1 45 45 GLN N N 45 124.893 124.893 120.159 4.734 17948 7855 1 17 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.887 -0.607 17948 7856 1 17 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.374 -0.974 17948 7857 1 17 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.862 -0.862 17948 7858 1 17 . 1 1 45 45 GLN H H 45 8.385 8.385 8.459 -0.074 17948 7859 1 17 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.556 -0.385 17948 7860 1 17 . 1 1 46 46 PRO CA C 46 61.800 61.800 62.838 -1.038 17948 7861 1 17 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.411 0.518 17948 7862 1 17 . 1 1 47 47 GLU N N 47 123.526 123.526 118.527 4.999 17948 7863 1 17 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.545 -0.285 17948 7864 1 17 . 1 1 47 47 GLU CA C 47 56.200 56.200 55.765 0.435 17948 7865 1 17 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.403 0.297 17948 7866 1 17 . 1 1 47 47 GLU H H 47 8.039 8.039 8.102 -0.063 17948 7867 1 17 . 1 1 48 48 ASP N N 48 122.131 122.131 119.163 2.968 17948 7868 1 17 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.635 -0.037 17948 7869 1 17 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.512 1.818 17948 7870 1 17 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.398 -10.698 17948 7871 1 17 . 1 1 48 48 ASP H H 48 8.402 8.402 8.430 -0.028 17948 7872 1 17 . 1 1 49 49 ASN N N 49 121.154 121.154 117.263 3.891 17948 7873 1 17 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.583 0.117 17948 7874 1 17 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.667 -2.067 17948 7875 1 17 . 1 1 49 49 ASN CB C 49 41.573 41.573 38.926 2.647 17948 7876 1 17 . 1 1 49 49 ASN H H 49 8.338 8.338 8.129 0.209 17948 7877 1 17 . 1 1 50 50 LYS N N 50 120.660 120.660 120.619 0.041 17948 7878 1 17 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.372 -0.073 17948 7879 1 17 . 1 1 50 50 LYS H H 50 8.247 8.247 8.530 -0.283 17948 7880 1 17 . 1 1 51 51 GLY N N 51 108.915 108.915 110.489 -1.574 17948 7881 1 17 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.670 0.730 17948 7882 1 17 . 1 1 51 51 GLY H H 51 8.320 8.320 7.981 0.339 17948 7883 1 17 . 1 1 52 52 VAL N N 52 118.906 118.906 118.566 0.340 17948 7884 1 17 . 1 1 52 52 VAL HA H 52 4.046 4.046 3.908 0.138 17948 7885 1 17 . 1 1 52 52 VAL CA C 52 62.400 62.400 63.075 -0.675 17948 7886 1 17 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.202 0.298 17948 7887 1 17 . 1 1 52 52 VAL H H 52 7.836 7.836 8.099 -0.263 17948 7888 1 17 . 1 1 53 53 PHE N N 53 123.002 123.002 123.291 -0.289 17948 7889 1 17 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.519 0.129 17948 7890 1 17 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.095 -0.495 17948 7891 1 17 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.349 -0.948 17948 7892 1 17 . 1 1 53 53 PHE H H 53 8.284 8.284 8.145 0.139 17948 7893 1 17 . 1 1 54 54 GLN N N 54 122.278 122.278 123.012 -0.734 17948 7894 1 17 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.116 0.197 17948 7895 1 17 . 1 1 54 54 GLN CA C 54 55.800 55.800 56.483 -0.683 17948 7896 1 17 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.445 0.056 17948 7897 1 17 . 1 1 54 54 GLN H H 54 8.223 8.223 8.537 -0.314 17948 7898 1 17 . 1 1 55 55 GLY N N 55 109.285 109.285 107.189 2.096 17948 7899 1 17 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.672 0.528 17948 7900 1 17 . 1 1 55 55 GLY H H 55 7.900 7.900 8.184 -0.284 17948 7901 1 17 . 1 1 56 56 VAL H H 56 7.898 7.898 8.007 -0.109 17948 7902 1 17 . 1 1 57 57 HIS N N 57 120.411 120.411 122.096 -1.685 17948 7903 1 17 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.873 -0.624 17948 7904 1 17 . 1 1 57 57 HIS H H 57 8.529 8.529 8.265 0.264 17948 7905 1 17 . 1 1 58 58 ASP N N 58 120.960 120.960 119.009 1.951 17948 7906 1 17 . 1 1 58 58 ASP HA H 58 4.610 4.610 5.086 -0.476 17948 7907 1 17 . 1 1 58 58 ASP H H 58 8.234 8.234 8.792 -0.558 17948 7908 1 17 . 1 1 59 59 SER N N 59 116.391 116.391 115.161 1.230 17948 7909 1 17 . 1 1 59 59 SER HA H 59 4.398 4.398 5.267 -0.869 17948 7910 1 17 . 1 1 59 59 SER CA C 59 58.500 58.500 57.470 1.030 17948 7911 1 17 . 1 1 59 59 SER CB C 59 63.700 63.700 65.726 -2.026 17948 7912 1 17 . 1 1 59 59 SER H H 59 8.248 8.248 8.624 -0.376 17948 7913 1 17 . 1 1 60 60 ALA N N 60 125.620 125.620 122.584 3.036 17948 7914 1 17 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.655 -0.347 17948 7915 1 17 . 1 1 60 60 ALA CA C 60 52.800 52.800 51.981 0.819 17948 7916 1 17 . 1 1 60 60 ALA CB C 60 19.161 19.161 20.211 -1.050 17948 7917 1 17 . 1 1 60 60 ALA H H 60 8.290 8.290 8.265 0.025 17948 7918 1 17 . 1 1 61 61 GLU N N 61 119.550 119.550 118.879 0.671 17948 7919 1 17 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.898 -0.647 17948 7920 1 17 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.010 0.590 17948 7921 1 17 . 1 1 61 61 GLU CB C 61 30.100 30.100 32.433 -2.333 17948 7922 1 17 . 1 1 61 61 GLU H H 61 8.206 8.206 8.979 -0.773 17948 7923 1 17 . 1 1 62 62 LYS N N 62 122.003 122.003 118.994 3.009 17948 7924 1 17 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.596 -0.296 17948 7925 1 17 . 1 1 62 62 LYS CA C 62 56.800 56.800 55.964 0.836 17948 7926 1 17 . 1 1 62 62 LYS CB C 62 32.900 32.900 33.773 -0.873 17948 7927 1 17 . 1 1 62 62 LYS H H 62 8.157 8.157 8.459 -0.302 17948 7928 1 17 . 1 1 63 63 GLY N N 63 109.728 109.728 107.758 1.970 17948 7929 1 17 . 1 1 63 63 GLY CA C 63 45.300 45.300 44.888 0.412 17948 7930 1 17 . 1 1 63 63 GLY H H 63 8.371 8.371 8.236 0.135 17948 7931 1 17 . 1 1 64 64 LYS N N 64 120.537 120.537 118.076 2.461 17948 7932 1 17 . 1 1 64 64 LYS HA H 64 4.340 4.340 3.957 0.383 17948 7933 1 17 . 1 1 64 64 LYS CA C 64 56.200 56.200 57.390 -1.190 17948 7934 1 17 . 1 1 64 64 LYS CB C 64 33.000 33.000 31.827 1.173 17948 7935 1 17 . 1 1 64 64 LYS H H 64 8.078 8.078 7.523 0.555 17948 7936 1 17 . 1 1 65 65 ASP N N 65 120.981 120.981 119.035 1.946 17948 7937 1 17 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.792 -0.202 17948 7938 1 17 . 1 1 65 65 ASP CA C 65 54.300 54.300 53.712 0.588 17948 7939 1 17 . 1 1 65 65 ASP CB C 65 41.200 41.200 42.530 -1.330 17948 7940 1 17 . 1 1 65 65 ASP H H 65 8.336 8.336 8.362 -0.026 17948 7941 1 17 . 1 1 66 66 ASN N N 66 119.056 119.056 118.521 0.535 17948 7942 1 17 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.988 -0.297 17948 7943 1 17 . 1 1 66 66 ASN CA C 66 53.200 53.200 52.831 0.369 17948 7944 1 17 . 1 1 66 66 ASN CB C 66 39.000 39.000 40.486 -1.486 17948 7945 1 17 . 1 1 66 66 ASN H H 66 8.280 8.280 8.497 -0.217 17948 7946 1 17 . 1 1 67 67 ALA N N 67 124.164 124.164 122.430 1.734 17948 7947 1 17 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.545 -0.232 17948 7948 1 17 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.158 0.566 17948 7949 1 17 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.989 -0.818 17948 7950 1 17 . 1 1 67 67 ALA H H 67 8.248 8.248 8.354 -0.106 17948 7951 1 17 . 1 1 68 68 GLU N N 68 119.599 119.599 119.847 -0.248 17948 7952 1 17 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.504 -0.222 17948 7953 1 17 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.369 0.443 17948 7954 1 17 . 1 1 68 68 GLU CB C 68 30.126 30.126 30.384 -0.258 17948 7955 1 17 . 1 1 68 68 GLU H H 68 8.295 8.295 8.351 -0.056 17948 7956 1 17 . 1 1 69 69 GLY N N 69 109.616 109.616 109.432 0.184 17948 7957 1 17 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.967 0.473 17948 7958 1 17 . 1 1 69 69 GLY H H 69 8.348 8.348 8.556 -0.208 17948 7959 1 17 . 1 1 70 70 GLN N N 70 119.476 119.476 118.211 1.265 17948 7960 1 17 . 1 1 70 70 GLN HA H 70 4.388 4.388 3.879 0.509 17948 7961 1 17 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.686 -0.826 17948 7962 1 17 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.012 0.488 17948 7963 1 17 . 1 1 70 70 GLN H H 70 8.200 8.200 8.132 0.068 17948 7964 1 17 . 1 1 71 71 GLY N N 71 109.928 109.928 106.989 2.939 17948 7965 1 17 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.131 0.229 17948 7966 1 17 . 1 1 71 71 GLY H H 71 8.438 8.438 8.292 0.146 17948 7967 1 17 . 1 1 72 72 GLU N N 72 120.438 120.438 122.553 -2.115 17948 7968 1 17 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.250 0.148 17948 7969 1 17 . 1 1 72 72 GLU CA C 72 56.400 56.400 57.932 -1.532 17948 7970 1 17 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.370 1.330 17948 7971 1 17 . 1 1 72 72 GLU H H 72 8.296 8.296 8.356 -0.060 17948 7972 1 17 . 1 1 73 73 SER N N 73 117.699 117.699 118.365 -0.666 17948 7973 1 17 . 1 1 73 73 SER HA H 73 4.601 4.601 4.493 0.108 17948 7974 1 17 . 1 1 73 73 SER CA C 73 58.011 58.011 57.641 0.370 17948 7975 1 17 . 1 1 73 73 SER CB C 73 64.816 64.816 63.953 0.863 17948 7976 1 17 . 1 1 73 73 SER H H 73 8.666 8.666 8.195 0.471 17948 7977 1 17 . 1 1 74 74 LEU N N 74 125.422 125.422 123.186 2.236 17948 7978 1 17 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.156 0.085 17948 7979 1 17 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.811 0.912 17948 7980 1 17 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.556 0.599 17948 7981 1 17 . 1 1 74 74 LEU H H 74 8.899 8.899 8.779 0.120 17948 7982 1 17 . 1 1 75 75 ALA N N 75 120.685 120.685 122.330 -1.645 17948 7983 1 17 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.883 0.138 17948 7984 1 17 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.086 -0.286 17948 7985 1 17 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.154 0.446 17948 7986 1 17 . 1 1 75 75 ALA H H 75 8.389 8.389 8.217 0.172 17948 7987 1 17 . 1 1 76 76 ASP N N 76 117.754 117.754 118.281 -0.527 17948 7988 1 17 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.270 0.164 17948 7989 1 17 . 1 1 76 76 ASP CA C 76 56.700 56.700 58.131 -1.431 17948 7990 1 17 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.677 0.006 17948 7991 1 17 . 1 1 76 76 ASP H H 76 7.777 7.777 7.894 -0.117 17948 7992 1 17 . 1 1 77 77 GLN N N 77 119.402 119.402 117.605 1.797 17948 7993 1 17 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.022 0.199 17948 7994 1 17 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.707 -0.863 17948 7995 1 17 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.427 1.175 17948 7996 1 17 . 1 1 77 77 GLN H H 77 8.038 8.038 8.001 0.037 17948 7997 1 17 . 1 1 78 78 ALA N N 78 121.376 121.376 122.612 -1.236 17948 7998 1 17 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.110 0.061 17948 7999 1 17 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.761 -0.211 17948 8000 1 17 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.299 0.555 17948 8001 1 17 . 1 1 78 78 ALA H H 78 8.427 8.427 7.421 1.006 17948 8002 1 17 . 1 1 79 79 ARG N N 79 117.905 117.905 118.330 -0.425 17948 8003 1 17 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.047 -0.029 17948 8004 1 17 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.841 0.452 17948 8005 1 17 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.595 0.564 17948 8006 1 17 . 1 1 79 79 ARG H H 79 8.031 8.031 8.206 -0.175 17948 8007 1 17 . 1 1 80 80 ASP N N 80 120.290 120.290 119.773 0.517 17948 8008 1 17 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.455 0.106 17948 8009 1 17 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.645 -1.369 17948 8010 1 17 . 1 1 80 80 ASP CB C 80 40.500 40.500 40.967 -0.467 17948 8011 1 17 . 1 1 80 80 ASP H H 80 8.126 8.126 8.191 -0.065 17948 8012 1 17 . 1 1 81 81 TYR N N 81 120.191 120.191 120.134 0.057 17948 8013 1 17 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.274 0.066 17948 8014 1 17 . 1 1 81 81 TYR CA C 81 61.119 61.119 61.144 -0.025 17948 8015 1 17 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.713 -0.213 17948 8016 1 17 . 1 1 81 81 TYR H H 81 8.250 8.250 7.670 0.580 17948 8017 1 17 . 1 1 82 82 MET N N 82 117.996 117.996 119.655 -1.659 17948 8018 1 17 . 1 1 82 82 MET HA H 82 4.222 4.222 4.060 0.162 17948 8019 1 17 . 1 1 82 82 MET CA C 82 58.618 58.618 60.070 -1.452 17948 8020 1 17 . 1 1 82 82 MET CB C 82 32.875 32.875 32.495 0.380 17948 8021 1 17 . 1 1 82 82 MET H H 82 8.354 8.354 8.528 -0.174 17948 8022 1 17 . 1 1 83 83 GLY N N 83 106.902 106.902 104.641 2.261 17948 8023 1 17 . 1 1 83 83 GLY CA C 83 47.200 47.200 46.868 0.332 17948 8024 1 17 . 1 1 83 83 GLY H H 83 8.365 8.365 7.895 0.470 17948 8025 1 17 . 1 1 84 84 ALA N N 84 124.830 124.830 123.599 1.231 17948 8026 1 17 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.263 0.055 17948 8027 1 17 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.966 0.312 17948 8028 1 17 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.215 0.354 17948 8029 1 17 . 1 1 84 84 ALA H H 84 7.950 7.950 7.418 0.532 17948 8030 1 17 . 1 1 85 85 ALA N N 85 120.542 120.542 121.788 -1.246 17948 8031 1 17 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.864 0.173 17948 8032 1 17 . 1 1 85 85 ALA CA C 85 54.979 54.979 55.115 -0.136 17948 8033 1 17 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.312 0.188 17948 8034 1 17 . 1 1 85 85 ALA H H 85 8.274 8.274 8.047 0.227 17948 8035 1 17 . 1 1 86 86 LYS N N 86 116.920 116.920 117.810 -0.890 17948 8036 1 17 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.931 -0.044 17948 8037 1 17 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.508 0.552 17948 8038 1 17 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.961 0.339 17948 8039 1 17 . 1 1 86 86 LYS H H 86 8.265 8.265 7.723 0.542 17948 8040 1 17 . 1 1 87 87 SER N N 87 113.664 113.664 114.843 -1.179 17948 8041 1 17 . 1 1 87 87 SER HA H 87 4.312 4.312 4.188 0.124 17948 8042 1 17 . 1 1 87 87 SER CA C 87 61.330 61.330 60.865 0.465 17948 8043 1 17 . 1 1 87 87 SER CB C 87 62.900 62.900 62.828 0.072 17948 8044 1 17 . 1 1 87 87 SER H H 87 7.926 7.926 7.623 0.303 17948 8045 1 17 . 1 1 88 88 LYS N N 88 120.310 120.310 122.139 -1.829 17948 8046 1 17 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.103 0.283 17948 8047 1 17 . 1 1 88 88 LYS CA C 88 57.344 57.344 58.855 -1.511 17948 8048 1 17 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.366 -0.566 17948 8049 1 17 . 1 1 88 88 LYS H H 88 7.859 7.859 7.665 0.194 17948 8050 1 17 . 1 1 89 89 LEU N N 89 119.648 119.648 121.195 -1.547 17948 8051 1 17 . 1 1 89 89 LEU HA H 89 4.101 4.101 4.000 0.101 17948 8052 1 17 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.708 0.359 17948 8053 1 17 . 1 1 89 89 LEU CB C 89 41.500 41.500 41.084 0.416 17948 8054 1 17 . 1 1 89 89 LEU H H 89 8.158 8.158 8.246 -0.088 17948 8055 1 17 . 1 1 90 90 ASN N N 90 117.422 117.422 117.443 -0.021 17948 8056 1 17 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.326 0.072 17948 8057 1 17 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.687 0.372 17948 8058 1 17 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.438 0.062 17948 8059 1 17 . 1 1 90 90 ASN H H 90 8.240 8.240 7.888 0.352 17948 8060 1 17 . 1 1 91 91 ASP N N 91 119.945 119.945 119.428 0.517 17948 8061 1 17 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.364 0.077 17948 8062 1 17 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.663 -0.319 17948 8063 1 17 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.691 -0.391 17948 8064 1 17 . 1 1 91 91 ASP H H 91 8.111 8.111 7.677 0.434 17948 8065 1 17 . 1 1 92 92 ALA N N 92 123.226 123.226 122.050 1.176 17948 8066 1 17 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.183 -0.009 17948 8067 1 17 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.770 0.603 17948 8068 1 17 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.405 -0.105 17948 8069 1 17 . 1 1 92 92 ALA H H 92 8.240 8.240 7.436 0.804 17948 8070 1 17 . 1 1 93 93 VAL N N 93 117.940 117.940 119.259 -1.319 17948 8071 1 17 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.525 0.074 17948 8072 1 17 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.833 0.060 17948 8073 1 17 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.528 0.085 17948 8074 1 17 . 1 1 93 93 VAL H H 93 8.410 8.410 8.152 0.258 17948 8075 1 17 . 1 1 94 94 GLU N N 94 120.610 120.610 118.991 1.619 17948 8076 1 17 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.975 0.075 17948 8077 1 17 . 1 1 94 94 GLU CA C 94 59.600 59.600 58.923 0.677 17948 8078 1 17 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.165 0.435 17948 8079 1 17 . 1 1 94 94 GLU H H 94 8.289 8.289 7.978 0.311 17948 8080 1 17 . 1 1 95 95 TYR N N 95 120.241 120.241 118.780 1.461 17948 8081 1 17 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.219 0.051 17948 8082 1 17 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.794 -0.494 17948 8083 1 17 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.869 -0.169 17948 8084 1 17 . 1 1 95 95 TYR H H 95 8.186 8.186 7.382 0.804 17948 8085 1 17 . 1 1 96 96 VAL N N 96 116.942 116.942 118.482 -1.540 17948 8086 1 17 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.612 -0.066 17948 8087 1 17 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.279 -0.209 17948 8088 1 17 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.499 0.246 17948 8089 1 17 . 1 1 96 96 VAL H H 96 8.394 8.394 8.190 0.204 17948 8090 1 17 . 1 1 97 97 SER N N 97 113.924 113.924 114.897 -0.973 17948 8091 1 17 . 1 1 97 97 SER HA H 97 4.145 4.145 4.162 -0.017 17948 8092 1 17 . 1 1 97 97 SER CA C 97 61.393 61.393 61.243 0.150 17948 8093 1 17 . 1 1 97 97 SER CB C 97 63.415 63.415 62.688 0.727 17948 8094 1 17 . 1 1 97 97 SER H H 97 8.433 8.433 8.622 -0.189 17948 8095 1 17 . 1 1 98 98 GLY N N 98 107.509 107.509 108.611 -1.102 17948 8096 1 17 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.134 0.164 17948 8097 1 17 . 1 1 98 98 GLY H H 98 7.899 7.899 7.618 0.281 17948 8098 1 17 . 1 1 99 99 ARG N N 99 119.471 119.471 120.475 -1.004 17948 8099 1 17 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.253 0.015 17948 8100 1 17 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.069 0.458 17948 8101 1 17 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.659 -0.359 17948 8102 1 17 . 1 1 99 99 ARG H H 99 7.696 7.696 7.778 -0.082 17948 8103 1 17 . 1 1 100 100 VAL N N 100 117.316 117.316 122.886 -5.570 17948 8104 1 17 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.897 0.063 17948 8105 1 17 . 1 1 100 100 VAL CA C 100 63.400 63.400 61.620 1.780 17948 8106 1 17 . 1 1 100 100 VAL CB C 100 32.320 32.320 30.176 2.144 17948 8107 1 17 . 1 1 100 100 VAL H H 100 7.906 7.906 7.246 0.660 17948 8108 1 17 . 1 1 101 101 HIS N N 101 119.155 119.155 124.031 -4.876 17948 8109 1 17 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.256 0.445 17948 8110 1 17 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.905 -1.705 17948 8111 1 17 . 1 1 101 101 HIS CB C 101 30.048 30.048 29.890 0.158 17948 8112 1 17 . 1 1 101 101 HIS H H 101 8.130 8.130 8.249 -0.119 17948 8113 1 17 . 1 1 102 102 GLY N N 102 109.145 109.145 111.578 -2.433 17948 8114 1 17 . 1 1 102 102 GLY CA C 102 45.333 45.333 44.873 0.460 17948 8115 1 17 . 1 1 102 102 GLY H H 102 8.086 8.086 8.597 -0.511 17948 8116 1 17 . 1 1 103 103 GLU N N 103 119.345 119.345 118.912 0.433 17948 8117 1 17 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.519 -0.189 17948 8118 1 17 . 1 1 103 103 GLU CA C 103 62.300 62.300 55.474 6.826 17948 8119 1 17 . 1 1 103 103 GLU CB C 103 32.754 32.754 32.286 0.468 17948 8120 1 17 . 1 1 103 103 GLU H H 103 7.932 7.932 8.111 -0.179 17948 8121 1 17 . 1 1 104 104 GLU N N 104 122.105 122.105 118.919 3.186 17948 8122 1 17 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.526 -0.254 17948 8123 1 17 . 1 1 104 104 GLU CA C 104 56.232 56.232 55.928 0.304 17948 8124 1 17 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.383 -0.883 17948 8125 1 17 . 1 1 104 104 GLU H H 104 8.325 8.325 8.392 -0.067 17948 8126 1 17 . 1 1 105 105 ASP N N 105 124.188 124.188 119.641 4.547 17948 8127 1 17 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.919 -0.309 17948 8128 1 17 . 1 1 105 105 ASP CA C 105 54.520 54.520 52.946 1.574 17948 8129 1 17 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.196 -0.496 17948 8130 1 17 . 1 1 105 105 ASP H H 105 8.077 8.077 8.463 -0.386 17948 8131 1 17 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.511 -0.027 17948 8132 1 17 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.030 0.794 17948 8133 1 17 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.239 -0.039 17948 8134 1 17 . 1 1 107 107 THR N N 107 111.950 111.950 111.510 0.440 17948 8135 1 17 . 1 1 107 107 THR HA H 107 4.273 4.273 4.369 -0.096 17948 8136 1 17 . 1 1 107 107 THR CA C 107 62.700 62.700 62.332 0.368 17948 8137 1 17 . 1 1 107 107 THR CB C 107 69.400 69.400 69.946 -0.546 17948 8138 1 17 . 1 1 107 107 THR H H 107 8.339 8.339 7.890 0.449 17948 8139 1 17 . 1 1 108 108 LYS N N 108 123.349 123.349 125.116 -1.767 17948 8140 1 17 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.434 -0.077 17948 8141 1 17 . 1 1 108 108 LYS CA C 108 56.000 56.000 55.965 0.035 17948 8142 1 17 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.778 -0.978 17948 8143 1 17 . 1 1 108 108 LYS H H 108 7.727 7.727 8.570 -0.843 17948 8144 1 18 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.606 0.004 17948 8145 1 18 . 1 1 3 3 ASP H H 3 8.330 8.330 8.815 -0.485 17948 8146 1 18 . 1 1 4 4 ALA N N 4 124.218 124.218 123.555 0.663 17948 8147 1 18 . 1 1 4 4 ALA HA H 4 4.260 4.260 5.011 -0.751 17948 8148 1 18 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.225 0.775 17948 8149 1 18 . 1 1 4 4 ALA CB C 4 18.965 18.965 21.145 -2.180 17948 8150 1 18 . 1 1 4 4 ALA H H 4 8.180 8.180 8.389 -0.209 17948 8151 1 18 . 1 1 5 5 GLY N N 5 107.349 107.349 109.321 -1.972 17948 8152 1 18 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.224 -0.124 17948 8153 1 18 . 1 1 5 5 GLY H H 5 8.344 8.344 8.322 0.022 17948 8154 1 18 . 1 1 6 6 ARG N N 6 119.351 119.351 120.594 -1.243 17948 8155 1 18 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.150 0.120 17948 8156 1 18 . 1 1 6 6 ARG H H 6 7.971 7.971 8.296 -0.325 17948 8157 1 18 . 1 1 7 7 LYS N N 7 122.700 122.700 121.623 1.077 17948 8158 1 18 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.430 -0.150 17948 8159 1 18 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.556 0.844 17948 8160 1 18 . 1 1 7 7 LYS CB C 7 32.900 32.900 33.553 -0.653 17948 8161 1 18 . 1 1 7 7 LYS H H 7 8.034 8.034 8.281 -0.247 17948 8162 1 18 . 1 1 8 8 GLY H H 8 8.340 8.340 8.636 -0.296 17948 8163 1 18 . 1 1 9 9 PHE N N 9 122.017 122.017 117.970 4.047 17948 8164 1 18 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.468 -0.848 17948 8165 1 18 . 1 1 9 9 PHE CA C 9 56.000 56.000 56.781 -0.781 17948 8166 1 18 . 1 1 9 9 PHE CB C 9 39.950 39.950 41.502 -1.552 17948 8167 1 18 . 1 1 9 9 PHE H H 9 8.093 8.093 9.071 -0.978 17948 8168 1 18 . 1 1 10 10 GLY N N 10 120.389 120.389 109.075 11.314 17948 8169 1 18 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.580 0.974 17948 8170 1 18 . 1 1 10 10 GLY H H 10 7.996 7.996 8.668 -0.672 17948 8171 1 18 . 1 1 11 11 GLU N N 11 120.847 120.847 121.547 -0.700 17948 8172 1 18 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.774 -0.514 17948 8173 1 18 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.080 0.981 17948 8174 1 18 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.920 -0.720 17948 8175 1 18 . 1 1 11 11 GLU H H 11 8.168 8.168 8.538 -0.370 17948 8176 1 18 . 1 1 12 12 LYS N N 12 121.524 121.524 121.902 -0.378 17948 8177 1 18 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.829 -0.549 17948 8178 1 18 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.776 0.776 17948 8179 1 18 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.688 -0.888 17948 8180 1 18 . 1 1 12 12 LYS H H 12 8.273 8.273 8.618 -0.345 17948 8181 1 18 . 1 1 13 13 ALA N N 13 124.765 124.765 122.842 1.923 17948 8182 1 18 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.880 -0.620 17948 8183 1 18 . 1 1 13 13 ALA CA C 13 53.056 53.056 51.275 1.781 17948 8184 1 18 . 1 1 13 13 ALA CB C 13 18.900 18.900 20.778 -1.878 17948 8185 1 18 . 1 1 13 13 ALA H H 13 8.288 8.288 8.801 -0.513 17948 8186 1 18 . 1 1 14 14 SER N N 14 114.047 114.047 115.255 -1.208 17948 8187 1 18 . 1 1 14 14 SER HA H 14 4.342 4.342 4.957 -0.615 17948 8188 1 18 . 1 1 14 14 SER CA C 14 58.918 58.918 58.262 0.656 17948 8189 1 18 . 1 1 14 14 SER CB C 14 63.539 63.539 64.907 -1.369 17948 8190 1 18 . 1 1 14 14 SER H H 14 8.145 8.145 8.756 -0.611 17948 8191 1 18 . 1 1 15 15 GLU N N 15 122.145 122.145 122.209 -0.064 17948 8192 1 18 . 1 1 15 15 GLU HA H 15 4.260 4.260 5.155 -0.895 17948 8193 1 18 . 1 1 15 15 GLU CA C 15 48.017 48.017 55.426 -7.409 17948 8194 1 18 . 1 1 15 15 GLU CB C 15 30.341 30.341 31.799 -1.458 17948 8195 1 18 . 1 1 15 15 GLU H H 15 8.223 8.223 8.662 -0.439 17948 8196 1 18 . 1 1 16 16 ALA N N 16 123.491 123.491 124.705 -1.214 17948 8197 1 18 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.590 -0.306 17948 8198 1 18 . 1 1 16 16 ALA CA C 16 52.500 52.500 51.959 0.541 17948 8199 1 18 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.814 -0.614 17948 8200 1 18 . 1 1 16 16 ALA H H 16 8.033 8.033 8.408 -0.375 17948 8201 1 18 . 1 1 17 17 LEU N N 17 120.066 120.066 122.568 -2.502 17948 8202 1 18 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.578 -0.244 17948 8203 1 18 . 1 1 17 17 LEU CA C 17 54.900 54.900 56.025 -1.125 17948 8204 1 18 . 1 1 17 17 LEU CB C 17 42.300 42.300 43.549 -1.249 17948 8205 1 18 . 1 1 17 17 LEU H H 17 7.901 7.901 8.266 -0.365 17948 8206 1 18 . 1 1 18 18 LYS N N 18 122.658 122.658 124.635 -1.977 17948 8207 1 18 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.597 -0.317 17948 8208 1 18 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.365 -1.365 17948 8209 1 18 . 1 1 18 18 LYS CB C 18 32.637 32.637 33.510 -0.873 17948 8210 1 18 . 1 1 18 18 LYS H H 18 8.081 8.081 8.364 -0.283 17948 8211 1 18 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.671 -0.244 17948 8212 1 18 . 1 1 19 19 PRO CA C 19 63.300 63.300 62.883 0.416 17948 8213 1 18 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.998 -1.098 17948 8214 1 18 . 1 1 20 20 ASP N N 20 119.912 119.912 121.584 -1.672 17948 8215 1 18 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.869 -0.298 17948 8216 1 18 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.009 0.491 17948 8217 1 18 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.156 -0.256 17948 8218 1 18 . 1 1 20 20 ASP H H 20 8.398 8.398 8.700 -0.302 17948 8219 1 18 . 1 1 21 21 SER N N 21 115.552 115.552 116.023 -0.471 17948 8220 1 18 . 1 1 21 21 SER HA H 21 4.513 4.513 5.018 -0.505 17948 8221 1 18 . 1 1 21 21 SER CA C 21 58.726 58.726 57.763 0.963 17948 8222 1 18 . 1 1 21 21 SER CB C 21 63.709 63.709 66.014 -2.305 17948 8223 1 18 . 1 1 21 21 SER H H 21 8.113 8.113 8.013 0.100 17948 8224 1 18 . 1 1 22 22 GLN N N 22 119.920 119.920 121.303 -1.383 17948 8225 1 18 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.467 -0.187 17948 8226 1 18 . 1 1 22 22 GLN H H 22 8.224 8.224 8.415 -0.191 17948 8227 1 18 . 1 1 23 23 LYS N N 23 121.734 121.734 123.120 -1.386 17948 8228 1 18 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.762 -0.482 17948 8229 1 18 . 1 1 23 23 LYS CA C 23 56.173 56.173 55.819 0.354 17948 8230 1 18 . 1 1 23 23 LYS CB C 23 30.593 30.593 33.453 -2.860 17948 8231 1 18 . 1 1 23 23 LYS H H 23 8.415 8.415 8.451 -0.036 17948 8232 1 18 . 1 1 24 24 SER N N 24 126.408 126.408 115.236 11.172 17948 8233 1 18 . 1 1 24 24 SER HA H 24 4.510 4.510 4.545 -0.035 17948 8234 1 18 . 1 1 24 24 SER CA C 24 57.341 57.341 57.745 -0.404 17948 8235 1 18 . 1 1 24 24 SER CB C 24 63.800 63.800 64.390 -0.590 17948 8236 1 18 . 1 1 24 24 SER H H 24 7.595 7.595 8.277 -0.682 17948 8237 1 18 . 1 1 25 25 TYR N N 25 120.790 120.790 119.601 1.189 17948 8238 1 18 . 1 1 25 25 TYR HA H 25 4.456 4.456 5.068 -0.612 17948 8239 1 18 . 1 1 25 25 TYR CA C 25 59.736 59.736 57.824 1.913 17948 8240 1 18 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.286 -1.217 17948 8241 1 18 . 1 1 25 25 TYR H H 25 8.370 8.370 7.957 0.413 17948 8242 1 18 . 1 1 26 26 ALA N N 26 122.684 122.684 126.297 -3.613 17948 8243 1 18 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.362 -0.198 17948 8244 1 18 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.359 1.641 17948 8245 1 18 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.302 -0.402 17948 8246 1 18 . 1 1 26 26 ALA H H 26 8.405 8.405 8.462 -0.057 17948 8247 1 18 . 1 1 27 27 GLU N N 27 118.504 118.504 118.076 0.428 17948 8248 1 18 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.212 -0.096 17948 8249 1 18 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.841 1.159 17948 8250 1 18 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.814 0.186 17948 8251 1 18 . 1 1 27 27 GLU H H 27 7.988 7.988 8.232 -0.244 17948 8252 1 18 . 1 1 28 28 GLN N N 28 119.735 119.735 118.279 1.456 17948 8253 1 18 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.347 -0.123 17948 8254 1 18 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.851 1.749 17948 8255 1 18 . 1 1 28 28 GLN CB C 28 29.400 29.400 30.462 -1.062 17948 8256 1 18 . 1 1 28 28 GLN H H 28 8.282 8.282 8.395 -0.113 17948 8257 1 18 . 1 1 29 29 GLY N N 29 108.734 108.734 109.996 -1.262 17948 8258 1 18 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.679 1.721 17948 8259 1 18 . 1 1 29 29 GLY H H 29 8.645 8.645 7.938 0.707 17948 8260 1 18 . 1 1 30 30 LYS N N 30 120.800 120.800 121.763 -0.963 17948 8261 1 18 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.207 0.073 17948 8262 1 18 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.800 2.192 17948 8263 1 18 . 1 1 30 30 LYS CB C 30 29.800 29.800 32.668 -2.868 17948 8264 1 18 . 1 1 30 30 LYS H H 30 8.140 8.140 8.235 -0.095 17948 8265 1 18 . 1 1 31 31 GLU N N 31 119.994 119.994 122.322 -2.328 17948 8266 1 18 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.392 -0.132 17948 8267 1 18 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.148 3.252 17948 8268 1 18 . 1 1 31 31 GLU CB C 31 32.521 32.521 30.111 2.410 17948 8269 1 18 . 1 1 31 31 GLU H H 31 8.039 8.039 8.116 -0.077 17948 8270 1 18 . 1 1 32 32 TYR N N 32 119.254 119.254 123.846 -4.592 17948 8271 1 18 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.746 -0.116 17948 8272 1 18 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.711 0.309 17948 8273 1 18 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.076 0.084 17948 8274 1 18 . 1 1 32 32 TYR H H 32 7.994 7.994 8.565 -0.571 17948 8275 1 18 . 1 1 33 33 ILE N N 33 121.600 121.600 119.928 1.672 17948 8276 1 18 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.764 -0.740 17948 8277 1 18 . 1 1 33 33 ILE CA C 33 62.100 62.100 60.261 1.839 17948 8278 1 18 . 1 1 33 33 ILE CB C 33 38.300 38.300 40.285 -1.985 17948 8279 1 18 . 1 1 33 33 ILE H H 33 8.260 8.260 8.385 -0.125 17948 8280 1 18 . 1 1 34 34 THR N N 34 115.849 115.849 115.462 0.387 17948 8281 1 18 . 1 1 34 34 THR HA H 34 4.480 4.480 4.430 0.050 17948 8282 1 18 . 1 1 34 34 THR CA C 34 63.600 63.600 63.276 0.324 17948 8283 1 18 . 1 1 34 34 THR CB C 34 69.300 69.300 69.302 -0.002 17948 8284 1 18 . 1 1 34 34 THR H H 34 8.082 8.082 8.672 -0.590 17948 8285 1 18 . 1 1 35 35 ASP N N 35 122.190 122.190 120.612 1.578 17948 8286 1 18 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.779 -0.225 17948 8287 1 18 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.707 1.693 17948 8288 1 18 . 1 1 35 35 ASP CB C 35 41.500 41.500 42.331 -0.831 17948 8289 1 18 . 1 1 35 35 ASP H H 35 8.102 8.102 8.251 -0.149 17948 8290 1 18 . 1 1 36 36 LYS N N 36 119.451 119.451 123.919 -4.468 17948 8291 1 18 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.634 -0.424 17948 8292 1 18 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.227 1.273 17948 8293 1 18 . 1 1 36 36 LYS CB C 36 32.500 32.500 35.075 -2.575 17948 8294 1 18 . 1 1 36 36 LYS H H 36 7.983 7.983 8.361 -0.378 17948 8295 1 18 . 1 1 37 37 ALA N N 37 123.038 123.038 126.089 -3.051 17948 8296 1 18 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.227 -0.046 17948 8297 1 18 . 1 1 37 37 ALA CA C 37 53.600 53.600 53.242 0.357 17948 8298 1 18 . 1 1 37 37 ALA CB C 37 18.800 18.800 18.997 -0.197 17948 8299 1 18 . 1 1 37 37 ALA H H 37 8.241 8.241 8.510 -0.269 17948 8300 1 18 . 1 1 38 38 ASP N N 38 118.323 118.323 121.841 -3.518 17948 8301 1 18 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.627 -0.123 17948 8302 1 18 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.731 0.369 17948 8303 1 18 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.704 -0.704 17948 8304 1 18 . 1 1 38 38 ASP H H 38 8.144 8.144 8.374 -0.230 17948 8305 1 18 . 1 1 39 39 LYS N N 39 120.011 120.011 119.939 0.072 17948 8306 1 18 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.542 -0.267 17948 8307 1 18 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.482 0.418 17948 8308 1 18 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.829 -1.075 17948 8309 1 18 . 1 1 39 39 LYS H H 39 7.960 7.960 8.469 -0.509 17948 8310 1 18 . 1 1 40 40 VAL N N 40 119.113 119.113 118.649 0.464 17948 8311 1 18 . 1 1 40 40 VAL HA H 40 4.044 4.044 3.764 0.280 17948 8312 1 18 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.676 0.224 17948 8313 1 18 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.138 0.362 17948 8314 1 18 . 1 1 40 40 VAL H H 40 7.948 7.948 8.059 -0.111 17948 8315 1 18 . 1 1 41 41 ALA N N 41 125.220 125.220 126.095 -0.875 17948 8316 1 18 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.137 0.157 17948 8317 1 18 . 1 1 41 41 ALA CA C 41 52.900 52.900 52.352 0.548 17948 8318 1 18 . 1 1 41 41 ALA CB C 41 19.100 19.100 18.501 0.599 17948 8319 1 18 . 1 1 41 41 ALA H H 41 8.168 8.168 8.529 -0.361 17948 8320 1 18 . 1 1 42 42 GLY N N 42 107.007 107.007 107.543 -0.536 17948 8321 1 18 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.232 0.168 17948 8322 1 18 . 1 1 42 42 GLY H H 42 8.130 8.130 7.771 0.359 17948 8323 1 18 . 1 1 43 43 LYS N N 43 122.310 122.310 122.808 -0.498 17948 8324 1 18 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.550 -0.179 17948 8325 1 18 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.469 0.530 17948 8326 1 18 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.390 -0.390 17948 8327 1 18 . 1 1 43 43 LYS H H 43 8.253 8.253 8.338 -0.085 17948 8328 1 18 . 1 1 44 44 VAL N N 44 120.734 120.734 120.122 0.612 17948 8329 1 18 . 1 1 44 44 VAL HA H 44 4.140 4.140 3.738 0.402 17948 8330 1 18 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.724 -0.724 17948 8331 1 18 . 1 1 44 44 VAL CB C 44 32.700 32.700 30.756 1.944 17948 8332 1 18 . 1 1 44 44 VAL H H 44 8.026 8.026 7.981 0.045 17948 8333 1 18 . 1 1 45 45 GLN N N 45 124.893 124.893 121.742 3.151 17948 8334 1 18 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.202 0.078 17948 8335 1 18 . 1 1 45 45 GLN CA C 45 53.400 53.400 56.243 -2.843 17948 8336 1 18 . 1 1 45 45 GLN CB C 45 29.000 29.000 28.797 0.203 17948 8337 1 18 . 1 1 45 45 GLN H H 45 8.385 8.385 8.385 -0.000 17948 8338 1 18 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.511 -0.340 17948 8339 1 18 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.005 -1.205 17948 8340 1 18 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.320 0.609 17948 8341 1 18 . 1 1 47 47 GLU N N 47 123.526 123.526 118.176 5.350 17948 8342 1 18 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.498 -0.238 17948 8343 1 18 . 1 1 47 47 GLU CA C 47 56.200 56.200 55.811 0.389 17948 8344 1 18 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.542 0.158 17948 8345 1 18 . 1 1 47 47 GLU H H 47 8.039 8.039 8.295 -0.256 17948 8346 1 18 . 1 1 48 48 ASP N N 48 122.131 122.131 118.167 3.964 17948 8347 1 18 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.912 -0.314 17948 8348 1 18 . 1 1 48 48 ASP CA C 48 56.330 56.330 53.555 2.775 17948 8349 1 18 . 1 1 48 48 ASP CB C 48 30.700 30.700 42.894 -12.194 17948 8350 1 18 . 1 1 48 48 ASP H H 48 8.402 8.402 8.367 0.035 17948 8351 1 18 . 1 1 49 49 ASN N N 49 121.154 121.154 117.816 3.338 17948 8352 1 18 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.794 -0.094 17948 8353 1 18 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.346 -1.746 17948 8354 1 18 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.783 1.790 17948 8355 1 18 . 1 1 49 49 ASN H H 49 8.338 8.338 8.488 -0.150 17948 8356 1 18 . 1 1 50 50 LYS N N 50 120.660 120.660 119.075 1.585 17948 8357 1 18 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.158 0.141 17948 8358 1 18 . 1 1 50 50 LYS H H 50 8.247 8.247 8.282 -0.035 17948 8359 1 18 . 1 1 51 51 GLY N N 51 108.915 108.915 110.753 -1.838 17948 8360 1 18 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.559 -0.158 17948 8361 1 18 . 1 1 51 51 GLY H H 51 8.320 8.320 8.317 0.003 17948 8362 1 18 . 1 1 52 52 VAL N N 52 118.906 118.906 121.170 -2.264 17948 8363 1 18 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.363 -0.317 17948 8364 1 18 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.698 0.702 17948 8365 1 18 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.257 -0.757 17948 8366 1 18 . 1 1 52 52 VAL H H 52 7.836 7.836 8.144 -0.308 17948 8367 1 18 . 1 1 53 53 PHE N N 53 123.002 123.002 124.817 -1.815 17948 8368 1 18 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.222 0.426 17948 8369 1 18 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.846 -1.246 17948 8370 1 18 . 1 1 53 53 PHE CB C 53 39.400 39.400 39.117 0.283 17948 8371 1 18 . 1 1 53 53 PHE H H 53 8.284 8.284 8.473 -0.189 17948 8372 1 18 . 1 1 54 54 GLN N N 54 122.278 122.278 124.550 -2.272 17948 8373 1 18 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.470 -0.157 17948 8374 1 18 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.934 -0.134 17948 8375 1 18 . 1 1 54 54 GLN CB C 54 29.500 29.500 29.694 -0.194 17948 8376 1 18 . 1 1 54 54 GLN H H 54 8.223 8.223 8.021 0.202 17948 8377 1 18 . 1 1 55 55 GLY N N 55 109.285 109.285 108.949 0.336 17948 8378 1 18 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.343 -0.143 17948 8379 1 18 . 1 1 55 55 GLY H H 55 7.900 7.900 7.842 0.058 17948 8380 1 18 . 1 1 56 56 VAL H H 56 7.898 7.898 7.817 0.081 17948 8381 1 18 . 1 1 57 57 HIS N N 57 120.411 120.411 124.324 -3.913 17948 8382 1 18 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.883 -0.634 17948 8383 1 18 . 1 1 57 57 HIS H H 57 8.529 8.529 7.912 0.617 17948 8384 1 18 . 1 1 58 58 ASP N N 58 120.960 120.960 119.350 1.610 17948 8385 1 18 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.864 -0.254 17948 8386 1 18 . 1 1 58 58 ASP H H 58 8.234 8.234 8.712 -0.478 17948 8387 1 18 . 1 1 59 59 SER N N 59 116.391 116.391 114.131 2.260 17948 8388 1 18 . 1 1 59 59 SER HA H 59 4.398 4.398 4.613 -0.215 17948 8389 1 18 . 1 1 59 59 SER CA C 59 58.500 58.500 58.903 -0.403 17948 8390 1 18 . 1 1 59 59 SER CB C 59 63.700 63.700 64.367 -0.667 17948 8391 1 18 . 1 1 59 59 SER H H 59 8.248 8.248 8.640 -0.392 17948 8392 1 18 . 1 1 60 60 ALA N N 60 125.620 125.620 122.091 3.529 17948 8393 1 18 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.535 -0.227 17948 8394 1 18 . 1 1 60 60 ALA CA C 60 52.800 52.800 51.956 0.844 17948 8395 1 18 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.513 -0.352 17948 8396 1 18 . 1 1 60 60 ALA H H 60 8.290 8.290 8.039 0.251 17948 8397 1 18 . 1 1 61 61 GLU N N 61 119.550 119.550 120.738 -1.188 17948 8398 1 18 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.616 -0.365 17948 8399 1 18 . 1 1 61 61 GLU CA C 61 56.600 56.600 55.348 1.252 17948 8400 1 18 . 1 1 61 61 GLU CB C 61 30.100 30.100 31.697 -1.597 17948 8401 1 18 . 1 1 61 61 GLU H H 61 8.206 8.206 8.143 0.063 17948 8402 1 18 . 1 1 62 62 LYS N N 62 122.003 122.003 117.698 4.305 17948 8403 1 18 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.697 -0.397 17948 8404 1 18 . 1 1 62 62 LYS CA C 62 56.800 56.800 55.264 1.536 17948 8405 1 18 . 1 1 62 62 LYS CB C 62 32.900 32.900 35.085 -2.185 17948 8406 1 18 . 1 1 62 62 LYS H H 62 8.157 8.157 8.238 -0.081 17948 8407 1 18 . 1 1 63 63 GLY N N 63 109.728 109.728 106.230 3.498 17948 8408 1 18 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.431 -0.131 17948 8409 1 18 . 1 1 63 63 GLY H H 63 8.371 8.371 8.432 -0.061 17948 8410 1 18 . 1 1 64 64 LYS N N 64 120.537 120.537 121.293 -0.756 17948 8411 1 18 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.625 -0.285 17948 8412 1 18 . 1 1 64 64 LYS CA C 64 56.200 56.200 55.157 1.043 17948 8413 1 18 . 1 1 64 64 LYS CB C 64 33.000 33.000 34.743 -1.743 17948 8414 1 18 . 1 1 64 64 LYS H H 64 8.078 8.078 8.233 -0.155 17948 8415 1 18 . 1 1 65 65 ASP N N 65 120.981 120.981 119.148 1.833 17948 8416 1 18 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.663 -0.073 17948 8417 1 18 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.277 0.023 17948 8418 1 18 . 1 1 65 65 ASP CB C 65 41.200 41.200 42.223 -1.023 17948 8419 1 18 . 1 1 65 65 ASP H H 65 8.336 8.336 8.553 -0.217 17948 8420 1 18 . 1 1 66 66 ASN N N 66 119.056 119.056 118.630 0.426 17948 8421 1 18 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.707 -0.016 17948 8422 1 18 . 1 1 66 66 ASN CA C 66 53.200 53.200 52.950 0.250 17948 8423 1 18 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.796 -0.796 17948 8424 1 18 . 1 1 66 66 ASN H H 66 8.280 8.280 8.345 -0.065 17948 8425 1 18 . 1 1 67 67 ALA N N 67 124.164 124.164 122.336 1.828 17948 8426 1 18 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.065 0.248 17948 8427 1 18 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.870 -0.146 17948 8428 1 18 . 1 1 67 67 ALA CB C 67 19.171 19.171 18.908 0.263 17948 8429 1 18 . 1 1 67 67 ALA H H 67 8.248 8.248 8.097 0.151 17948 8430 1 18 . 1 1 68 68 GLU N N 68 119.599 119.599 117.815 1.784 17948 8431 1 18 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.002 0.280 17948 8432 1 18 . 1 1 68 68 GLU CA C 68 56.812 56.812 57.101 -0.289 17948 8433 1 18 . 1 1 68 68 GLU CB C 68 30.126 30.126 29.910 0.216 17948 8434 1 18 . 1 1 68 68 GLU H H 68 8.295 8.295 8.491 -0.196 17948 8435 1 18 . 1 1 69 69 GLY N N 69 109.616 109.616 104.842 4.774 17948 8436 1 18 . 1 1 69 69 GLY CA C 69 45.440 45.440 45.172 0.268 17948 8437 1 18 . 1 1 69 69 GLY H H 69 8.348 8.348 8.198 0.150 17948 8438 1 18 . 1 1 70 70 GLN N N 70 119.476 119.476 117.117 2.359 17948 8439 1 18 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.104 0.284 17948 8440 1 18 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.539 -0.679 17948 8441 1 18 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.158 0.342 17948 8442 1 18 . 1 1 70 70 GLN H H 70 8.200 8.200 8.329 -0.129 17948 8443 1 18 . 1 1 71 71 GLY N N 71 109.928 109.928 107.130 2.798 17948 8444 1 18 . 1 1 71 71 GLY CA C 71 45.360 45.360 45.113 0.247 17948 8445 1 18 . 1 1 71 71 GLY H H 71 8.438 8.438 8.660 -0.222 17948 8446 1 18 . 1 1 72 72 GLU N N 72 120.438 120.438 118.604 1.834 17948 8447 1 18 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.713 -0.315 17948 8448 1 18 . 1 1 72 72 GLU CA C 72 56.400 56.400 55.029 1.371 17948 8449 1 18 . 1 1 72 72 GLU CB C 72 30.700 30.700 32.600 -1.900 17948 8450 1 18 . 1 1 72 72 GLU H H 72 8.296 8.296 7.453 0.843 17948 8451 1 18 . 1 1 73 73 SER N N 73 117.699 117.699 114.277 3.422 17948 8452 1 18 . 1 1 73 73 SER HA H 73 4.601 4.601 4.173 0.428 17948 8453 1 18 . 1 1 73 73 SER CA C 73 58.011 58.011 58.746 -0.735 17948 8454 1 18 . 1 1 73 73 SER CB C 73 64.816 64.816 63.563 1.253 17948 8455 1 18 . 1 1 73 73 SER H H 73 8.666 8.666 8.690 -0.024 17948 8456 1 18 . 1 1 74 74 LEU N N 74 125.422 125.422 122.346 3.076 17948 8457 1 18 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.112 0.129 17948 8458 1 18 . 1 1 74 74 LEU CA C 74 57.723 57.723 57.172 0.551 17948 8459 1 18 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.174 0.981 17948 8460 1 18 . 1 1 74 74 LEU H H 74 8.899 8.899 8.695 0.204 17948 8461 1 18 . 1 1 75 75 ALA N N 75 120.685 120.685 122.175 -1.490 17948 8462 1 18 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.928 0.093 17948 8463 1 18 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.696 0.104 17948 8464 1 18 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.054 0.546 17948 8465 1 18 . 1 1 75 75 ALA H H 75 8.389 8.389 8.071 0.318 17948 8466 1 18 . 1 1 76 76 ASP N N 76 117.754 117.754 118.990 -1.236 17948 8467 1 18 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.348 0.086 17948 8468 1 18 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.616 -0.916 17948 8469 1 18 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.703 -0.020 17948 8470 1 18 . 1 1 76 76 ASP H H 76 7.777 7.777 7.918 -0.141 17948 8471 1 18 . 1 1 77 77 GLN N N 77 119.402 119.402 117.974 1.428 17948 8472 1 18 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.052 0.169 17948 8473 1 18 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.535 -0.691 17948 8474 1 18 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.512 1.090 17948 8475 1 18 . 1 1 77 77 GLN H H 77 8.038 8.038 7.799 0.239 17948 8476 1 18 . 1 1 78 78 ALA N N 78 121.376 121.376 122.699 -1.323 17948 8477 1 18 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.163 0.008 17948 8478 1 18 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.556 -0.006 17948 8479 1 18 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.468 0.386 17948 8480 1 18 . 1 1 78 78 ALA H H 78 8.427 8.427 7.800 0.627 17948 8481 1 18 . 1 1 79 79 ARG N N 79 117.905 117.905 119.004 -1.099 17948 8482 1 18 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.047 -0.029 17948 8483 1 18 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.964 0.329 17948 8484 1 18 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.517 0.642 17948 8485 1 18 . 1 1 79 79 ARG H H 79 8.031 8.031 7.789 0.242 17948 8486 1 18 . 1 1 80 80 ASP N N 80 120.290 120.290 119.280 1.010 17948 8487 1 18 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.411 0.150 17948 8488 1 18 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.858 -1.582 17948 8489 1 18 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.060 -0.561 17948 8490 1 18 . 1 1 80 80 ASP H H 80 8.126 8.126 8.218 -0.092 17948 8491 1 18 . 1 1 81 81 TYR N N 81 120.191 120.191 120.386 -0.195 17948 8492 1 18 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.311 0.029 17948 8493 1 18 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.642 0.477 17948 8494 1 18 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.577 -0.077 17948 8495 1 18 . 1 1 81 81 TYR H H 81 8.250 8.250 7.670 0.580 17948 8496 1 18 . 1 1 82 82 MET N N 82 117.996 117.996 119.484 -1.488 17948 8497 1 18 . 1 1 82 82 MET HA H 82 4.222 4.222 4.090 0.132 17948 8498 1 18 . 1 1 82 82 MET CA C 82 58.618 58.618 59.854 -1.236 17948 8499 1 18 . 1 1 82 82 MET CB C 82 32.875 32.875 32.404 0.471 17948 8500 1 18 . 1 1 82 82 MET H H 82 8.354 8.354 8.490 -0.136 17948 8501 1 18 . 1 1 83 83 GLY N N 83 106.902 106.902 104.625 2.277 17948 8502 1 18 . 1 1 83 83 GLY CA C 83 47.200 47.200 46.930 0.270 17948 8503 1 18 . 1 1 83 83 GLY H H 83 8.365 8.365 7.959 0.406 17948 8504 1 18 . 1 1 84 84 ALA N N 84 124.830 124.830 123.675 1.155 17948 8505 1 18 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.323 -0.005 17948 8506 1 18 . 1 1 84 84 ALA CA C 84 54.278 54.278 54.062 0.216 17948 8507 1 18 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.281 0.288 17948 8508 1 18 . 1 1 84 84 ALA H H 84 7.950 7.950 7.478 0.472 17948 8509 1 18 . 1 1 85 85 ALA N N 85 120.542 120.542 122.456 -1.914 17948 8510 1 18 . 1 1 85 85 ALA HA H 85 4.037 4.037 4.099 -0.062 17948 8511 1 18 . 1 1 85 85 ALA CA C 85 54.979 54.979 55.266 -0.287 17948 8512 1 18 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.578 -0.078 17948 8513 1 18 . 1 1 85 85 ALA H H 85 8.274 8.274 8.217 0.057 17948 8514 1 18 . 1 1 86 86 LYS N N 86 116.920 116.920 117.812 -0.892 17948 8515 1 18 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.989 -0.102 17948 8516 1 18 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.706 0.354 17948 8517 1 18 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.927 0.373 17948 8518 1 18 . 1 1 86 86 LYS H H 86 8.265 8.265 7.813 0.452 17948 8519 1 18 . 1 1 87 87 SER N N 87 113.664 113.664 115.207 -1.543 17948 8520 1 18 . 1 1 87 87 SER HA H 87 4.312 4.312 4.238 0.074 17948 8521 1 18 . 1 1 87 87 SER CA C 87 61.330 61.330 61.090 0.240 17948 8522 1 18 . 1 1 87 87 SER CB C 87 62.900 62.900 62.979 -0.079 17948 8523 1 18 . 1 1 87 87 SER H H 87 7.926 7.926 7.688 0.238 17948 8524 1 18 . 1 1 88 88 LYS N N 88 120.310 120.310 122.003 -1.693 17948 8525 1 18 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.130 0.256 17948 8526 1 18 . 1 1 88 88 LYS CA C 88 57.344 57.344 58.936 -1.592 17948 8527 1 18 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.512 -0.712 17948 8528 1 18 . 1 1 88 88 LYS H H 88 7.859 7.859 7.722 0.137 17948 8529 1 18 . 1 1 89 89 LEU N N 89 119.648 119.648 121.348 -1.700 17948 8530 1 18 . 1 1 89 89 LEU HA H 89 4.101 4.101 4.067 0.034 17948 8531 1 18 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.829 0.238 17948 8532 1 18 . 1 1 89 89 LEU CB C 89 41.500 41.500 41.078 0.422 17948 8533 1 18 . 1 1 89 89 LEU H H 89 8.158 8.158 8.365 -0.207 17948 8534 1 18 . 1 1 90 90 ASN N N 90 117.422 117.422 117.190 0.232 17948 8535 1 18 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.410 -0.012 17948 8536 1 18 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.315 0.744 17948 8537 1 18 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.331 0.168 17948 8538 1 18 . 1 1 90 90 ASN H H 90 8.240 8.240 7.937 0.303 17948 8539 1 18 . 1 1 91 91 ASP N N 91 119.945 119.945 119.030 0.915 17948 8540 1 18 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.530 -0.089 17948 8541 1 18 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.166 0.178 17948 8542 1 18 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.802 -0.502 17948 8543 1 18 . 1 1 91 91 ASP H H 91 8.111 8.111 7.654 0.457 17948 8544 1 18 . 1 1 92 92 ALA N N 92 123.226 123.226 123.176 0.050 17948 8545 1 18 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.169 0.005 17948 8546 1 18 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.889 0.484 17948 8547 1 18 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.797 -0.496 17948 8548 1 18 . 1 1 92 92 ALA H H 92 8.240 8.240 7.452 0.788 17948 8549 1 18 . 1 1 93 93 VAL N N 93 117.940 117.940 119.850 -1.910 17948 8550 1 18 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.699 -0.100 17948 8551 1 18 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.090 0.803 17948 8552 1 18 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.246 0.367 17948 8553 1 18 . 1 1 93 93 VAL H H 93 8.410 8.410 8.269 0.141 17948 8554 1 18 . 1 1 94 94 GLU N N 94 120.610 120.610 118.885 1.725 17948 8555 1 18 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.016 0.034 17948 8556 1 18 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.539 0.061 17948 8557 1 18 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.571 0.029 17948 8558 1 18 . 1 1 94 94 GLU H H 94 8.289 8.289 7.844 0.445 17948 8559 1 18 . 1 1 95 95 TYR N N 95 120.241 120.241 120.073 0.168 17948 8560 1 18 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.213 0.057 17948 8561 1 18 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.569 -0.269 17948 8562 1 18 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.800 -0.100 17948 8563 1 18 . 1 1 95 95 TYR H H 95 8.186 8.186 7.613 0.573 17948 8564 1 18 . 1 1 96 96 VAL N N 96 116.942 116.942 118.233 -1.291 17948 8565 1 18 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.592 -0.046 17948 8566 1 18 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.566 -0.496 17948 8567 1 18 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.018 0.727 17948 8568 1 18 . 1 1 96 96 VAL H H 96 8.394 8.394 8.321 0.073 17948 8569 1 18 . 1 1 97 97 SER N N 97 113.924 113.924 115.453 -1.529 17948 8570 1 18 . 1 1 97 97 SER HA H 97 4.145 4.145 4.268 -0.123 17948 8571 1 18 . 1 1 97 97 SER CA C 97 61.393 61.393 61.589 -0.196 17948 8572 1 18 . 1 1 97 97 SER CB C 97 63.415 63.415 62.768 0.647 17948 8573 1 18 . 1 1 97 97 SER H H 97 8.433 8.433 8.458 -0.025 17948 8574 1 18 . 1 1 98 98 GLY N N 98 107.509 107.509 108.580 -1.071 17948 8575 1 18 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.177 0.121 17948 8576 1 18 . 1 1 98 98 GLY H H 98 7.899 7.899 7.516 0.383 17948 8577 1 18 . 1 1 99 99 ARG N N 99 119.471 119.471 118.973 0.498 17948 8578 1 18 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.127 0.141 17948 8579 1 18 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.725 -0.198 17948 8580 1 18 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.099 0.201 17948 8581 1 18 . 1 1 99 99 ARG H H 99 7.696 7.696 7.404 0.292 17948 8582 1 18 . 1 1 100 100 VAL N N 100 117.316 117.316 117.075 0.241 17948 8583 1 18 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.775 0.185 17948 8584 1 18 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.391 -0.991 17948 8585 1 18 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.830 0.490 17948 8586 1 18 . 1 1 100 100 VAL H H 100 7.906 7.906 7.265 0.641 17948 8587 1 18 . 1 1 101 101 HIS N N 101 119.155 119.155 116.799 2.356 17948 8588 1 18 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.669 0.032 17948 8589 1 18 . 1 1 101 101 HIS CA C 101 56.200 56.200 55.460 0.740 17948 8590 1 18 . 1 1 101 101 HIS CB C 101 30.048 30.048 32.356 -2.308 17948 8591 1 18 . 1 1 101 101 HIS H H 101 8.130 8.130 7.472 0.658 17948 8592 1 18 . 1 1 102 102 GLY N N 102 109.145 109.145 108.368 0.777 17948 8593 1 18 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.583 -0.250 17948 8594 1 18 . 1 1 102 102 GLY H H 102 8.086 8.086 8.211 -0.125 17948 8595 1 18 . 1 1 103 103 GLU N N 103 119.345 119.345 119.786 -0.441 17948 8596 1 18 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.428 -0.098 17948 8597 1 18 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.420 5.880 17948 8598 1 18 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.549 2.205 17948 8599 1 18 . 1 1 103 103 GLU H H 103 7.932 7.932 8.253 -0.321 17948 8600 1 18 . 1 1 104 104 GLU N N 104 122.105 122.105 124.443 -2.338 17948 8601 1 18 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.473 -0.201 17948 8602 1 18 . 1 1 104 104 GLU CA C 104 56.232 56.232 57.324 -1.092 17948 8603 1 18 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.028 -0.528 17948 8604 1 18 . 1 1 104 104 GLU H H 104 8.325 8.325 8.771 -0.446 17948 8605 1 18 . 1 1 105 105 ASP N N 105 124.188 124.188 121.455 2.733 17948 8606 1 18 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.949 -0.339 17948 8607 1 18 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.348 1.172 17948 8608 1 18 . 1 1 105 105 ASP CB C 105 40.700 40.700 40.508 0.192 17948 8609 1 18 . 1 1 105 105 ASP H H 105 8.077 8.077 8.047 0.030 17948 8610 1 18 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.554 -0.070 17948 8611 1 18 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.044 0.780 17948 8612 1 18 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.089 0.111 17948 8613 1 18 . 1 1 107 107 THR N N 107 111.950 111.950 110.320 1.630 17948 8614 1 18 . 1 1 107 107 THR HA H 107 4.273 4.273 4.570 -0.297 17948 8615 1 18 . 1 1 107 107 THR CA C 107 62.700 62.700 61.501 1.200 17948 8616 1 18 . 1 1 107 107 THR CB C 107 69.400 69.400 70.640 -1.240 17948 8617 1 18 . 1 1 107 107 THR H H 107 8.339 8.339 8.178 0.161 17948 8618 1 18 . 1 1 108 108 LYS N N 108 123.349 123.349 121.973 1.376 17948 8619 1 18 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.599 -0.242 17948 8620 1 18 . 1 1 108 108 LYS CA C 108 56.000 56.000 55.622 0.378 17948 8621 1 18 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.776 -0.976 17948 8622 1 18 . 1 1 108 108 LYS H H 108 7.727 7.727 8.683 -0.956 17948 8623 1 19 . 1 1 3 3 ASP HA H 3 4.610 4.610 5.215 -0.605 17948 8624 1 19 . 1 1 3 3 ASP H H 3 8.330 8.330 8.990 -0.660 17948 8625 1 19 . 1 1 4 4 ALA N N 4 124.218 124.218 124.722 -0.504 17948 8626 1 19 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.600 -0.340 17948 8627 1 19 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.923 1.077 17948 8628 1 19 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.818 -0.853 17948 8629 1 19 . 1 1 4 4 ALA H H 4 8.180 8.180 8.393 -0.213 17948 8630 1 19 . 1 1 5 5 GLY N N 5 107.349 107.349 106.948 0.401 17948 8631 1 19 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.975 0.124 17948 8632 1 19 . 1 1 5 5 GLY H H 5 8.344 8.344 8.236 0.108 17948 8633 1 19 . 1 1 6 6 ARG N N 6 119.351 119.351 119.332 0.019 17948 8634 1 19 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.494 -0.224 17948 8635 1 19 . 1 1 6 6 ARG H H 6 7.971 7.971 8.329 -0.358 17948 8636 1 19 . 1 1 7 7 LYS N N 7 122.700 122.700 120.259 2.441 17948 8637 1 19 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.636 -0.356 17948 8638 1 19 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.969 0.431 17948 8639 1 19 . 1 1 7 7 LYS CB C 7 32.900 32.900 33.472 -0.572 17948 8640 1 19 . 1 1 7 7 LYS H H 7 8.034 8.034 8.424 -0.390 17948 8641 1 19 . 1 1 8 8 GLY H H 8 8.340 8.340 8.366 -0.026 17948 8642 1 19 . 1 1 9 9 PHE N N 9 122.017 122.017 117.584 4.433 17948 8643 1 19 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.137 0.483 17948 8644 1 19 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.474 -2.474 17948 8645 1 19 . 1 1 9 9 PHE CB C 9 39.950 39.950 38.726 1.224 17948 8646 1 19 . 1 1 9 9 PHE H H 9 8.093 8.093 7.886 0.207 17948 8647 1 19 . 1 1 10 10 GLY N N 10 120.389 120.389 109.359 11.030 17948 8648 1 19 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.496 1.058 17948 8649 1 19 . 1 1 10 10 GLY H H 10 7.996 7.996 8.365 -0.369 17948 8650 1 19 . 1 1 11 11 GLU N N 11 120.847 120.847 123.206 -2.359 17948 8651 1 19 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.509 -0.249 17948 8652 1 19 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.469 0.592 17948 8653 1 19 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.533 -0.333 17948 8654 1 19 . 1 1 11 11 GLU H H 11 8.168 8.168 8.435 -0.267 17948 8655 1 19 . 1 1 12 12 LYS N N 12 121.524 121.524 118.434 3.090 17948 8656 1 19 . 1 1 12 12 LYS HA H 12 4.280 4.280 3.906 0.374 17948 8657 1 19 . 1 1 12 12 LYS CA C 12 56.552 56.552 57.285 -0.733 17948 8658 1 19 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.025 0.775 17948 8659 1 19 . 1 1 12 12 LYS H H 12 8.273 8.273 8.426 -0.153 17948 8660 1 19 . 1 1 13 13 ALA N N 13 124.765 124.765 120.107 4.658 17948 8661 1 19 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.099 0.161 17948 8662 1 19 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.991 0.065 17948 8663 1 19 . 1 1 13 13 ALA CB C 13 18.900 18.900 18.692 0.208 17948 8664 1 19 . 1 1 13 13 ALA H H 13 8.288 8.288 8.177 0.111 17948 8665 1 19 . 1 1 14 14 SER N N 14 114.047 114.047 115.492 -1.445 17948 8666 1 19 . 1 1 14 14 SER HA H 14 4.342 4.342 4.419 -0.077 17948 8667 1 19 . 1 1 14 14 SER CA C 14 58.918 58.918 58.463 0.455 17948 8668 1 19 . 1 1 14 14 SER CB C 14 63.539 63.539 63.860 -0.321 17948 8669 1 19 . 1 1 14 14 SER H H 14 8.145 8.145 8.629 -0.484 17948 8670 1 19 . 1 1 15 15 GLU N N 15 122.145 122.145 120.049 2.096 17948 8671 1 19 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.132 0.128 17948 8672 1 19 . 1 1 15 15 GLU CA C 15 48.017 48.017 57.083 -9.066 17948 8673 1 19 . 1 1 15 15 GLU CB C 15 30.341 30.341 29.913 0.428 17948 8674 1 19 . 1 1 15 15 GLU H H 15 8.223 8.223 8.036 0.187 17948 8675 1 19 . 1 1 16 16 ALA N N 16 123.491 123.491 122.703 0.788 17948 8676 1 19 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.394 -0.110 17948 8677 1 19 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.644 -0.144 17948 8678 1 19 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.604 -0.404 17948 8679 1 19 . 1 1 16 16 ALA H H 16 8.033 8.033 8.138 -0.105 17948 8680 1 19 . 1 1 17 17 LEU N N 17 120.066 120.066 121.920 -1.854 17948 8681 1 19 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.630 -0.296 17948 8682 1 19 . 1 1 17 17 LEU CA C 17 54.900 54.900 54.835 0.065 17948 8683 1 19 . 1 1 17 17 LEU CB C 17 42.300 42.300 41.506 0.794 17948 8684 1 19 . 1 1 17 17 LEU H H 17 7.901 7.901 8.292 -0.391 17948 8685 1 19 . 1 1 18 18 LYS N N 18 122.658 122.658 124.987 -2.329 17948 8686 1 19 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.711 -0.431 17948 8687 1 19 . 1 1 18 18 LYS CA C 18 54.000 54.000 54.866 -0.866 17948 8688 1 19 . 1 1 18 18 LYS CB C 18 32.637 32.637 33.444 -0.807 17948 8689 1 19 . 1 1 18 18 LYS H H 18 8.081 8.081 8.458 -0.377 17948 8690 1 19 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.510 -0.083 17948 8691 1 19 . 1 1 19 19 PRO CA C 19 63.300 63.300 62.797 0.503 17948 8692 1 19 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.235 -0.335 17948 8693 1 19 . 1 1 20 20 ASP N N 20 119.912 119.912 120.170 -0.258 17948 8694 1 19 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.823 -0.252 17948 8695 1 19 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.057 0.443 17948 8696 1 19 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.022 -0.122 17948 8697 1 19 . 1 1 20 20 ASP H H 20 8.398 8.398 8.417 -0.019 17948 8698 1 19 . 1 1 21 21 SER N N 21 115.552 115.552 118.195 -2.643 17948 8699 1 19 . 1 1 21 21 SER HA H 21 4.513 4.513 4.523 -0.010 17948 8700 1 19 . 1 1 21 21 SER CA C 21 58.726 58.726 58.630 0.096 17948 8701 1 19 . 1 1 21 21 SER CB C 21 63.709 63.709 63.694 0.015 17948 8702 1 19 . 1 1 21 21 SER H H 21 8.113 8.113 8.372 -0.259 17948 8703 1 19 . 1 1 22 22 GLN N N 22 119.920 119.920 123.570 -3.650 17948 8704 1 19 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.757 -0.477 17948 8705 1 19 . 1 1 22 22 GLN H H 22 8.224 8.224 8.767 -0.543 17948 8706 1 19 . 1 1 23 23 LYS N N 23 121.734 121.734 121.543 0.191 17948 8707 1 19 . 1 1 23 23 LYS HA H 23 4.280 4.280 5.037 -0.757 17948 8708 1 19 . 1 1 23 23 LYS CA C 23 56.173 56.173 55.474 0.699 17948 8709 1 19 . 1 1 23 23 LYS CB C 23 30.593 30.593 34.850 -4.257 17948 8710 1 19 . 1 1 23 23 LYS H H 23 8.415 8.415 8.785 -0.370 17948 8711 1 19 . 1 1 24 24 SER N N 24 126.408 126.408 115.179 11.229 17948 8712 1 19 . 1 1 24 24 SER HA H 24 4.510 4.510 4.977 -0.467 17948 8713 1 19 . 1 1 24 24 SER CA C 24 57.341 57.341 57.723 -0.382 17948 8714 1 19 . 1 1 24 24 SER CB C 24 63.800 63.800 64.247 -0.447 17948 8715 1 19 . 1 1 24 24 SER H H 24 7.595 7.595 8.949 -1.354 17948 8716 1 19 . 1 1 25 25 TYR N N 25 120.790 120.790 119.235 1.555 17948 8717 1 19 . 1 1 25 25 TYR HA H 25 4.456 4.456 5.444 -0.988 17948 8718 1 19 . 1 1 25 25 TYR CA C 25 59.736 59.736 56.858 2.878 17948 8719 1 19 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.380 -1.311 17948 8720 1 19 . 1 1 25 25 TYR H H 25 8.370 8.370 8.365 0.005 17948 8721 1 19 . 1 1 26 26 ALA N N 26 122.684 122.684 124.325 -1.641 17948 8722 1 19 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.650 -0.486 17948 8723 1 19 . 1 1 26 26 ALA CA C 26 54.000 54.000 51.728 2.272 17948 8724 1 19 . 1 1 26 26 ALA CB C 26 18.900 18.900 20.373 -1.473 17948 8725 1 19 . 1 1 26 26 ALA H H 26 8.405 8.405 8.297 0.108 17948 8726 1 19 . 1 1 27 27 GLU N N 27 118.504 118.504 117.981 0.523 17948 8727 1 19 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.154 -0.038 17948 8728 1 19 . 1 1 27 27 GLU CA C 27 58.000 58.000 57.474 0.526 17948 8729 1 19 . 1 1 27 27 GLU CB C 27 30.000 30.000 29.299 0.701 17948 8730 1 19 . 1 1 27 27 GLU H H 27 7.988 7.988 8.381 -0.393 17948 8731 1 19 . 1 1 28 28 GLN N N 28 119.735 119.735 116.662 3.073 17948 8732 1 19 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.503 -0.279 17948 8733 1 19 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.324 2.276 17948 8734 1 19 . 1 1 28 28 GLN CB C 28 29.400 29.400 29.060 0.340 17948 8735 1 19 . 1 1 28 28 GLN H H 28 8.282 8.282 8.596 -0.314 17948 8736 1 19 . 1 1 29 29 GLY N N 29 108.734 108.734 109.771 -1.037 17948 8737 1 19 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.663 0.737 17948 8738 1 19 . 1 1 29 29 GLY H H 29 8.645 8.645 8.233 0.412 17948 8739 1 19 . 1 1 30 30 LYS N N 30 120.800 120.800 118.792 2.008 17948 8740 1 19 . 1 1 30 30 LYS HA H 30 4.280 4.280 3.991 0.289 17948 8741 1 19 . 1 1 30 30 LYS CA C 30 57.992 57.992 57.196 0.796 17948 8742 1 19 . 1 1 30 30 LYS CB C 30 29.800 29.800 31.309 -1.509 17948 8743 1 19 . 1 1 30 30 LYS H H 30 8.140 8.140 7.969 0.171 17948 8744 1 19 . 1 1 31 31 GLU N N 31 119.994 119.994 119.923 0.071 17948 8745 1 19 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.349 -0.089 17948 8746 1 19 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.500 2.900 17948 8747 1 19 . 1 1 31 31 GLU CB C 31 32.521 32.521 30.126 2.395 17948 8748 1 19 . 1 1 31 31 GLU H H 31 8.039 8.039 8.402 -0.363 17948 8749 1 19 . 1 1 32 32 TYR N N 32 119.254 119.254 122.852 -3.598 17948 8750 1 19 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.499 0.131 17948 8751 1 19 . 1 1 32 32 TYR CA C 32 58.020 58.020 59.229 -1.209 17948 8752 1 19 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.777 -0.617 17948 8753 1 19 . 1 1 32 32 TYR H H 32 7.994 7.994 8.602 -0.608 17948 8754 1 19 . 1 1 33 33 ILE N N 33 121.600 121.600 118.266 3.334 17948 8755 1 19 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.329 -0.305 17948 8756 1 19 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.105 0.995 17948 8757 1 19 . 1 1 33 33 ILE CB C 33 38.300 38.300 40.244 -1.944 17948 8758 1 19 . 1 1 33 33 ILE H H 33 8.260 8.260 7.609 0.651 17948 8759 1 19 . 1 1 34 34 THR N N 34 115.849 115.849 121.400 -5.551 17948 8760 1 19 . 1 1 34 34 THR HA H 34 4.480 4.480 4.519 -0.039 17948 8761 1 19 . 1 1 34 34 THR CA C 34 63.600 63.600 62.101 1.499 17948 8762 1 19 . 1 1 34 34 THR CB C 34 69.300 69.300 69.598 -0.298 17948 8763 1 19 . 1 1 34 34 THR H H 34 8.082 8.082 8.156 -0.074 17948 8764 1 19 . 1 1 35 35 ASP N N 35 122.190 122.190 121.899 0.291 17948 8765 1 19 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.700 -0.146 17948 8766 1 19 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.589 0.811 17948 8767 1 19 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.597 -0.097 17948 8768 1 19 . 1 1 35 35 ASP H H 35 8.102 8.102 8.524 -0.422 17948 8769 1 19 . 1 1 36 36 LYS N N 36 119.451 119.451 120.151 -0.700 17948 8770 1 19 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.595 -0.385 17948 8771 1 19 . 1 1 36 36 LYS CA C 36 56.500 56.500 56.357 0.143 17948 8772 1 19 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.211 -1.711 17948 8773 1 19 . 1 1 36 36 LYS H H 36 7.983 7.983 7.817 0.166 17948 8774 1 19 . 1 1 37 37 ALA N N 37 123.038 123.038 122.753 0.285 17948 8775 1 19 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.338 -0.157 17948 8776 1 19 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.837 0.763 17948 8777 1 19 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.437 -0.637 17948 8778 1 19 . 1 1 37 37 ALA H H 37 8.241 8.241 8.318 -0.077 17948 8779 1 19 . 1 1 38 38 ASP N N 38 118.323 118.323 119.840 -1.517 17948 8780 1 19 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.462 0.042 17948 8781 1 19 . 1 1 38 38 ASP CA C 38 55.100 55.100 55.122 -0.022 17948 8782 1 19 . 1 1 38 38 ASP CB C 38 41.000 41.000 39.324 1.676 17948 8783 1 19 . 1 1 38 38 ASP H H 38 8.144 8.144 8.494 -0.350 17948 8784 1 19 . 1 1 39 39 LYS N N 39 120.011 120.011 123.363 -3.352 17948 8785 1 19 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.541 -0.266 17948 8786 1 19 . 1 1 39 39 LYS CA C 39 56.900 56.900 55.552 1.348 17948 8787 1 19 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.777 -1.023 17948 8788 1 19 . 1 1 39 39 LYS H H 39 7.960 7.960 8.057 -0.097 17948 8789 1 19 . 1 1 40 40 VAL N N 40 119.113 119.113 121.437 -2.324 17948 8790 1 19 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.316 -0.272 17948 8791 1 19 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.759 1.141 17948 8792 1 19 . 1 1 40 40 VAL CB C 40 32.500 32.500 31.779 0.721 17948 8793 1 19 . 1 1 40 40 VAL H H 40 7.948 7.948 8.306 -0.358 17948 8794 1 19 . 1 1 41 41 ALA N N 41 125.220 125.220 122.936 2.284 17948 8795 1 19 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.727 -0.433 17948 8796 1 19 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.837 1.062 17948 8797 1 19 . 1 1 41 41 ALA CB C 41 19.100 19.100 19.985 -0.885 17948 8798 1 19 . 1 1 41 41 ALA H H 41 8.168 8.168 7.635 0.533 17948 8799 1 19 . 1 1 42 42 GLY N N 42 107.007 107.007 109.257 -2.250 17948 8800 1 19 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.921 0.479 17948 8801 1 19 . 1 1 42 42 GLY H H 42 8.130 8.130 8.318 -0.188 17948 8802 1 19 . 1 1 43 43 LYS N N 43 122.310 122.310 117.837 4.473 17948 8803 1 19 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.542 -0.171 17948 8804 1 19 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.715 0.285 17948 8805 1 19 . 1 1 43 43 LYS CB C 43 33.000 33.000 34.370 -1.370 17948 8806 1 19 . 1 1 43 43 LYS H H 43 8.253 8.253 8.563 -0.310 17948 8807 1 19 . 1 1 44 44 VAL N N 44 120.734 120.734 117.761 2.973 17948 8808 1 19 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.612 -0.472 17948 8809 1 19 . 1 1 44 44 VAL CA C 44 62.000 62.000 61.628 0.372 17948 8810 1 19 . 1 1 44 44 VAL CB C 44 32.700 32.700 34.595 -1.895 17948 8811 1 19 . 1 1 44 44 VAL H H 44 8.026 8.026 8.450 -0.424 17948 8812 1 19 . 1 1 45 45 GLN N N 45 124.893 124.893 120.749 4.144 17948 8813 1 19 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.702 -0.422 17948 8814 1 19 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.171 -0.771 17948 8815 1 19 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.301 -0.301 17948 8816 1 19 . 1 1 45 45 GLN H H 45 8.385 8.385 8.846 -0.461 17948 8817 1 19 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.573 -0.402 17948 8818 1 19 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.023 -1.223 17948 8819 1 19 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.706 0.223 17948 8820 1 19 . 1 1 47 47 GLU N N 47 123.526 123.526 117.504 6.022 17948 8821 1 19 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.804 -0.544 17948 8822 1 19 . 1 1 47 47 GLU CA C 47 56.200 56.200 55.574 0.626 17948 8823 1 19 . 1 1 47 47 GLU CB C 47 30.700 30.700 31.662 -0.962 17948 8824 1 19 . 1 1 47 47 GLU H H 47 8.039 8.039 8.549 -0.510 17948 8825 1 19 . 1 1 48 48 ASP N N 48 122.131 122.131 119.957 2.174 17948 8826 1 19 . 1 1 48 48 ASP HA H 48 4.598 4.598 5.043 -0.445 17948 8827 1 19 . 1 1 48 48 ASP CA C 48 56.330 56.330 53.794 2.536 17948 8828 1 19 . 1 1 48 48 ASP CB C 48 30.700 30.700 43.158 -12.458 17948 8829 1 19 . 1 1 48 48 ASP H H 48 8.402 8.402 8.717 -0.315 17948 8830 1 19 . 1 1 49 49 ASN N N 49 121.154 121.154 118.931 2.223 17948 8831 1 19 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.871 -0.171 17948 8832 1 19 . 1 1 49 49 ASN CA C 49 51.600 51.600 52.652 -1.052 17948 8833 1 19 . 1 1 49 49 ASN CB C 49 41.573 41.573 40.809 0.764 17948 8834 1 19 . 1 1 49 49 ASN H H 49 8.338 8.338 8.572 -0.234 17948 8835 1 19 . 1 1 50 50 LYS N N 50 120.660 120.660 119.760 0.900 17948 8836 1 19 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.122 0.177 17948 8837 1 19 . 1 1 50 50 LYS H H 50 8.247 8.247 8.664 -0.417 17948 8838 1 19 . 1 1 51 51 GLY N N 51 108.915 108.915 110.668 -1.753 17948 8839 1 19 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.817 0.583 17948 8840 1 19 . 1 1 51 51 GLY H H 51 8.320 8.320 8.092 0.228 17948 8841 1 19 . 1 1 52 52 VAL N N 52 118.906 118.906 119.694 -0.788 17948 8842 1 19 . 1 1 52 52 VAL HA H 52 4.046 4.046 5.088 -1.042 17948 8843 1 19 . 1 1 52 52 VAL CA C 52 62.400 62.400 60.348 2.052 17948 8844 1 19 . 1 1 52 52 VAL CB C 52 32.500 32.500 34.830 -2.330 17948 8845 1 19 . 1 1 52 52 VAL H H 52 7.836 7.836 8.350 -0.514 17948 8846 1 19 . 1 1 53 53 PHE N N 53 123.002 123.002 119.881 3.121 17948 8847 1 19 . 1 1 53 53 PHE HA H 53 4.648 4.648 5.149 -0.501 17948 8848 1 19 . 1 1 53 53 PHE CA C 53 57.600 57.600 57.904 -0.304 17948 8849 1 19 . 1 1 53 53 PHE CB C 53 39.400 39.400 41.553 -2.153 17948 8850 1 19 . 1 1 53 53 PHE H H 53 8.284 8.284 9.013 -0.729 17948 8851 1 19 . 1 1 54 54 GLN N N 54 122.278 122.278 120.156 2.122 17948 8852 1 19 . 1 1 54 54 GLN HA H 54 4.313 4.313 5.104 -0.791 17948 8853 1 19 . 1 1 54 54 GLN CA C 54 55.800 55.800 54.724 1.076 17948 8854 1 19 . 1 1 54 54 GLN CB C 54 29.500 29.500 31.870 -2.370 17948 8855 1 19 . 1 1 54 54 GLN H H 54 8.223 8.223 9.287 -1.064 17948 8856 1 19 . 1 1 55 55 GLY N N 55 109.285 109.285 108.552 0.733 17948 8857 1 19 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.979 0.221 17948 8858 1 19 . 1 1 55 55 GLY H H 55 7.900 7.900 9.009 -1.109 17948 8859 1 19 . 1 1 56 56 VAL H H 56 7.898 7.898 8.081 -0.183 17948 8860 1 19 . 1 1 57 57 HIS N N 57 120.411 120.411 116.923 3.488 17948 8861 1 19 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.503 -0.254 17948 8862 1 19 . 1 1 57 57 HIS H H 57 8.529 8.529 8.490 0.039 17948 8863 1 19 . 1 1 58 58 ASP N N 58 120.960 120.960 120.763 0.197 17948 8864 1 19 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.639 -0.029 17948 8865 1 19 . 1 1 58 58 ASP H H 58 8.234 8.234 8.083 0.151 17948 8866 1 19 . 1 1 59 59 SER N N 59 116.391 116.391 114.790 1.601 17948 8867 1 19 . 1 1 59 59 SER HA H 59 4.398 4.398 5.043 -0.645 17948 8868 1 19 . 1 1 59 59 SER CA C 59 58.500 58.500 57.074 1.426 17948 8869 1 19 . 1 1 59 59 SER CB C 59 63.700 63.700 64.322 -0.622 17948 8870 1 19 . 1 1 59 59 SER H H 59 8.248 8.248 8.886 -0.638 17948 8871 1 19 . 1 1 60 60 ALA N N 60 125.620 125.620 123.071 2.549 17948 8872 1 19 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.582 -0.274 17948 8873 1 19 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.117 0.682 17948 8874 1 19 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.843 -0.682 17948 8875 1 19 . 1 1 60 60 ALA H H 60 8.290 8.290 8.328 -0.038 17948 8876 1 19 . 1 1 61 61 GLU N N 61 119.550 119.550 118.813 0.737 17948 8877 1 19 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.667 -0.416 17948 8878 1 19 . 1 1 61 61 GLU CA C 61 56.600 56.600 55.679 0.921 17948 8879 1 19 . 1 1 61 61 GLU CB C 61 30.100 30.100 31.524 -1.424 17948 8880 1 19 . 1 1 61 61 GLU H H 61 8.206 8.206 8.259 -0.053 17948 8881 1 19 . 1 1 62 62 LYS N N 62 122.003 122.003 119.796 2.207 17948 8882 1 19 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.676 -0.376 17948 8883 1 19 . 1 1 62 62 LYS CA C 62 56.800 56.800 55.789 1.011 17948 8884 1 19 . 1 1 62 62 LYS CB C 62 32.900 32.900 34.067 -1.167 17948 8885 1 19 . 1 1 62 62 LYS H H 62 8.157 8.157 8.342 -0.185 17948 8886 1 19 . 1 1 63 63 GLY N N 63 109.728 109.728 109.490 0.238 17948 8887 1 19 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.056 0.244 17948 8888 1 19 . 1 1 63 63 GLY H H 63 8.371 8.371 8.446 -0.075 17948 8889 1 19 . 1 1 64 64 LYS N N 64 120.537 120.537 120.437 0.100 17948 8890 1 19 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.107 0.233 17948 8891 1 19 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.324 -0.124 17948 8892 1 19 . 1 1 64 64 LYS CB C 64 33.000 33.000 31.876 1.124 17948 8893 1 19 . 1 1 64 64 LYS H H 64 8.078 8.078 8.098 -0.020 17948 8894 1 19 . 1 1 65 65 ASP N N 65 120.981 120.981 116.336 4.645 17948 8895 1 19 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.284 0.306 17948 8896 1 19 . 1 1 65 65 ASP CA C 65 54.300 54.300 55.308 -1.008 17948 8897 1 19 . 1 1 65 65 ASP CB C 65 41.200 41.200 40.945 0.255 17948 8898 1 19 . 1 1 65 65 ASP H H 65 8.336 8.336 8.240 0.096 17948 8899 1 19 . 1 1 66 66 ASN N N 66 119.056 119.056 116.982 2.074 17948 8900 1 19 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.809 -0.118 17948 8901 1 19 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.066 0.134 17948 8902 1 19 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.863 -0.863 17948 8903 1 19 . 1 1 66 66 ASN H H 66 8.280 8.280 8.396 -0.116 17948 8904 1 19 . 1 1 67 67 ALA N N 67 124.164 124.164 122.907 1.257 17948 8905 1 19 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.688 -0.375 17948 8906 1 19 . 1 1 67 67 ALA CA C 67 52.724 52.724 51.925 0.798 17948 8907 1 19 . 1 1 67 67 ALA CB C 67 19.171 19.171 21.181 -2.010 17948 8908 1 19 . 1 1 67 67 ALA H H 67 8.248 8.248 8.438 -0.190 17948 8909 1 19 . 1 1 68 68 GLU N N 68 119.599 119.599 117.305 2.294 17948 8910 1 19 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.400 -0.118 17948 8911 1 19 . 1 1 68 68 GLU CA C 68 56.812 56.812 55.967 0.845 17948 8912 1 19 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.252 -1.126 17948 8913 1 19 . 1 1 68 68 GLU H H 68 8.295 8.295 8.393 -0.098 17948 8914 1 19 . 1 1 69 69 GLY N N 69 109.616 109.616 108.283 1.333 17948 8915 1 19 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.760 0.680 17948 8916 1 19 . 1 1 69 69 GLY H H 69 8.348 8.348 8.624 -0.276 17948 8917 1 19 . 1 1 70 70 GLN N N 70 119.476 119.476 119.432 0.044 17948 8918 1 19 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.344 0.044 17948 8919 1 19 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.333 -0.473 17948 8920 1 19 . 1 1 70 70 GLN CB C 70 29.500 29.500 30.765 -1.265 17948 8921 1 19 . 1 1 70 70 GLN H H 70 8.200 8.200 8.555 -0.355 17948 8922 1 19 . 1 1 71 71 GLY N N 71 109.928 109.928 112.595 -2.667 17948 8923 1 19 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.783 0.577 17948 8924 1 19 . 1 1 71 71 GLY H H 71 8.438 8.438 8.623 -0.185 17948 8925 1 19 . 1 1 72 72 GLU N N 72 120.438 120.438 118.996 1.442 17948 8926 1 19 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.116 0.282 17948 8927 1 19 . 1 1 72 72 GLU CA C 72 56.400 56.400 57.361 -0.961 17948 8928 1 19 . 1 1 72 72 GLU CB C 72 30.700 30.700 29.901 0.799 17948 8929 1 19 . 1 1 72 72 GLU H H 72 8.296 8.296 8.407 -0.111 17948 8930 1 19 . 1 1 73 73 SER N N 73 117.699 117.699 115.305 2.394 17948 8931 1 19 . 1 1 73 73 SER HA H 73 4.601 4.601 4.505 0.096 17948 8932 1 19 . 1 1 73 73 SER CA C 73 58.011 58.011 59.215 -1.204 17948 8933 1 19 . 1 1 73 73 SER CB C 73 64.816 64.816 63.546 1.270 17948 8934 1 19 . 1 1 73 73 SER H H 73 8.666 8.666 8.437 0.229 17948 8935 1 19 . 1 1 74 74 LEU N N 74 125.422 125.422 122.773 2.649 17948 8936 1 19 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.172 0.069 17948 8937 1 19 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.384 1.339 17948 8938 1 19 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.472 0.683 17948 8939 1 19 . 1 1 74 74 LEU H H 74 8.899 8.899 8.269 0.630 17948 8940 1 19 . 1 1 75 75 ALA N N 75 120.685 120.685 120.665 0.020 17948 8941 1 19 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.985 0.036 17948 8942 1 19 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.296 0.504 17948 8943 1 19 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.502 0.098 17948 8944 1 19 . 1 1 75 75 ALA H H 75 8.389 8.389 7.996 0.393 17948 8945 1 19 . 1 1 76 76 ASP N N 76 117.754 117.754 119.012 -1.258 17948 8946 1 19 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.260 0.174 17948 8947 1 19 . 1 1 76 76 ASP CA C 76 56.700 56.700 58.006 -1.306 17948 8948 1 19 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.696 -0.013 17948 8949 1 19 . 1 1 76 76 ASP H H 76 7.777 7.777 7.983 -0.206 17948 8950 1 19 . 1 1 77 77 GLN N N 77 119.402 119.402 117.708 1.694 17948 8951 1 19 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.022 0.199 17948 8952 1 19 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.628 -0.784 17948 8953 1 19 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.421 1.181 17948 8954 1 19 . 1 1 77 77 GLN H H 77 8.038 8.038 8.175 -0.137 17948 8955 1 19 . 1 1 78 78 ALA N N 78 121.376 121.376 122.549 -1.173 17948 8956 1 19 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.163 0.008 17948 8957 1 19 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.646 -0.096 17948 8958 1 19 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.255 0.599 17948 8959 1 19 . 1 1 78 78 ALA H H 78 8.427 8.427 7.639 0.788 17948 8960 1 19 . 1 1 79 79 ARG N N 79 117.905 117.905 119.136 -1.231 17948 8961 1 19 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.058 -0.040 17948 8962 1 19 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.777 0.516 17948 8963 1 19 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.666 0.493 17948 8964 1 19 . 1 1 79 79 ARG H H 79 8.031 8.031 8.091 -0.060 17948 8965 1 19 . 1 1 80 80 ASP N N 80 120.290 120.290 119.663 0.627 17948 8966 1 19 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.459 0.102 17948 8967 1 19 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.676 -1.400 17948 8968 1 19 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.092 -0.592 17948 8969 1 19 . 1 1 80 80 ASP H H 80 8.126 8.126 8.085 0.041 17948 8970 1 19 . 1 1 81 81 TYR N N 81 120.191 120.191 120.648 -0.457 17948 8971 1 19 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.327 0.013 17948 8972 1 19 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.465 0.653 17948 8973 1 19 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.626 -0.126 17948 8974 1 19 . 1 1 81 81 TYR H H 81 8.250 8.250 7.651 0.599 17948 8975 1 19 . 1 1 82 82 MET N N 82 117.996 117.996 119.091 -1.095 17948 8976 1 19 . 1 1 82 82 MET HA H 82 4.222 4.222 4.004 0.218 17948 8977 1 19 . 1 1 82 82 MET CA C 82 58.618 58.618 59.812 -1.194 17948 8978 1 19 . 1 1 82 82 MET CB C 82 32.875 32.875 32.327 0.548 17948 8979 1 19 . 1 1 82 82 MET H H 82 8.354 8.354 8.598 -0.244 17948 8980 1 19 . 1 1 83 83 GLY N N 83 106.902 106.902 104.779 2.123 17948 8981 1 19 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.039 0.161 17948 8982 1 19 . 1 1 83 83 GLY H H 83 8.365 8.365 7.935 0.430 17948 8983 1 19 . 1 1 84 84 ALA N N 84 124.830 124.830 123.811 1.019 17948 8984 1 19 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.256 0.062 17948 8985 1 19 . 1 1 84 84 ALA CA C 84 54.278 54.278 54.097 0.181 17948 8986 1 19 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.285 0.284 17948 8987 1 19 . 1 1 84 84 ALA H H 84 7.950 7.950 7.333 0.617 17948 8988 1 19 . 1 1 85 85 ALA N N 85 120.542 120.542 121.570 -1.028 17948 8989 1 19 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.893 0.144 17948 8990 1 19 . 1 1 85 85 ALA CA C 85 54.979 54.979 55.021 -0.042 17948 8991 1 19 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.496 0.004 17948 8992 1 19 . 1 1 85 85 ALA H H 85 8.274 8.274 8.092 0.182 17948 8993 1 19 . 1 1 86 86 LYS N N 86 116.920 116.920 118.222 -1.302 17948 8994 1 19 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.952 -0.065 17948 8995 1 19 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.587 0.473 17948 8996 1 19 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.661 0.639 17948 8997 1 19 . 1 1 86 86 LYS H H 86 8.265 8.265 8.156 0.109 17948 8998 1 19 . 1 1 87 87 SER N N 87 113.664 113.664 114.625 -0.961 17948 8999 1 19 . 1 1 87 87 SER HA H 87 4.312 4.312 4.191 0.121 17948 9000 1 19 . 1 1 87 87 SER CA C 87 61.330 61.330 60.776 0.554 17948 9001 1 19 . 1 1 87 87 SER CB C 87 62.900 62.900 62.722 0.178 17948 9002 1 19 . 1 1 87 87 SER H H 87 7.926 7.926 7.646 0.280 17948 9003 1 19 . 1 1 88 88 LYS N N 88 120.310 120.310 122.264 -1.954 17948 9004 1 19 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.088 0.298 17948 9005 1 19 . 1 1 88 88 LYS CA C 88 57.344 57.344 58.982 -1.638 17948 9006 1 19 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.391 -0.591 17948 9007 1 19 . 1 1 88 88 LYS H H 88 7.859 7.859 7.675 0.184 17948 9008 1 19 . 1 1 89 89 LEU N N 89 119.648 119.648 121.787 -2.139 17948 9009 1 19 . 1 1 89 89 LEU HA H 89 4.101 4.101 4.001 0.100 17948 9010 1 19 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.685 0.382 17948 9011 1 19 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.981 0.519 17948 9012 1 19 . 1 1 89 89 LEU H H 89 8.158 8.158 8.210 -0.052 17948 9013 1 19 . 1 1 90 90 ASN N N 90 117.422 117.422 117.229 0.193 17948 9014 1 19 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.316 0.082 17948 9015 1 19 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.859 0.199 17948 9016 1 19 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.357 0.143 17948 9017 1 19 . 1 1 90 90 ASN H H 90 8.240 8.240 7.861 0.379 17948 9018 1 19 . 1 1 91 91 ASP N N 91 119.945 119.945 119.663 0.282 17948 9019 1 19 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.454 -0.013 17948 9020 1 19 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.516 -0.172 17948 9021 1 19 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.660 -0.360 17948 9022 1 19 . 1 1 91 91 ASP H H 91 8.111 8.111 7.619 0.492 17948 9023 1 19 . 1 1 92 92 ALA N N 92 123.226 123.226 121.776 1.450 17948 9024 1 19 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.137 0.037 17948 9025 1 19 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.888 0.485 17948 9026 1 19 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.552 -0.253 17948 9027 1 19 . 1 1 92 92 ALA H H 92 8.240 8.240 7.400 0.840 17948 9028 1 19 . 1 1 93 93 VAL N N 93 117.940 117.940 119.304 -1.364 17948 9029 1 19 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.482 0.117 17948 9030 1 19 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.115 -0.222 17948 9031 1 19 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.486 0.127 17948 9032 1 19 . 1 1 93 93 VAL H H 93 8.410 8.410 8.162 0.248 17948 9033 1 19 . 1 1 94 94 GLU N N 94 120.610 120.610 118.915 1.695 17948 9034 1 19 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.900 0.150 17948 9035 1 19 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.408 0.191 17948 9036 1 19 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.701 -0.101 17948 9037 1 19 . 1 1 94 94 GLU H H 94 8.289 8.289 7.930 0.359 17948 9038 1 19 . 1 1 95 95 TYR N N 95 120.241 120.241 119.316 0.925 17948 9039 1 19 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.195 0.075 17948 9040 1 19 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.143 0.157 17948 9041 1 19 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.510 0.190 17948 9042 1 19 . 1 1 95 95 TYR H H 95 8.186 8.186 7.349 0.837 17948 9043 1 19 . 1 1 96 96 VAL N N 96 116.942 116.942 118.415 -1.473 17948 9044 1 19 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.421 0.125 17948 9045 1 19 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.253 -0.183 17948 9046 1 19 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.451 0.294 17948 9047 1 19 . 1 1 96 96 VAL H H 96 8.394 8.394 8.118 0.276 17948 9048 1 19 . 1 1 97 97 SER N N 97 113.924 113.924 114.857 -0.933 17948 9049 1 19 . 1 1 97 97 SER HA H 97 4.145 4.145 4.131 0.014 17948 9050 1 19 . 1 1 97 97 SER CA C 97 61.393 61.393 60.997 0.396 17948 9051 1 19 . 1 1 97 97 SER CB C 97 63.415 63.415 62.481 0.934 17948 9052 1 19 . 1 1 97 97 SER H H 97 8.433 8.433 8.603 -0.170 17948 9053 1 19 . 1 1 98 98 GLY N N 98 107.509 107.509 108.919 -1.410 17948 9054 1 19 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.025 0.273 17948 9055 1 19 . 1 1 98 98 GLY H H 98 7.899 7.899 7.654 0.245 17948 9056 1 19 . 1 1 99 99 ARG N N 99 119.471 119.471 120.312 -0.841 17948 9057 1 19 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.218 0.050 17948 9058 1 19 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.779 -0.252 17948 9059 1 19 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.286 0.014 17948 9060 1 19 . 1 1 99 99 ARG H H 99 7.696 7.696 7.532 0.164 17948 9061 1 19 . 1 1 100 100 VAL N N 100 117.316 117.316 118.376 -1.060 17948 9062 1 19 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.756 0.204 17948 9063 1 19 . 1 1 100 100 VAL CA C 100 63.400 63.400 64.474 -1.074 17948 9064 1 19 . 1 1 100 100 VAL CB C 100 32.320 32.320 32.096 0.224 17948 9065 1 19 . 1 1 100 100 VAL H H 100 7.906 7.906 7.373 0.533 17948 9066 1 19 . 1 1 101 101 HIS N N 101 119.155 119.155 114.530 4.625 17948 9067 1 19 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.558 0.143 17948 9068 1 19 . 1 1 101 101 HIS CA C 101 56.200 56.200 55.547 0.653 17948 9069 1 19 . 1 1 101 101 HIS CB C 101 30.048 30.048 30.147 -0.099 17948 9070 1 19 . 1 1 101 101 HIS H H 101 8.130 8.130 7.651 0.479 17948 9071 1 19 . 1 1 102 102 GLY N N 102 109.145 109.145 108.435 0.710 17948 9072 1 19 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.894 -0.561 17948 9073 1 19 . 1 1 102 102 GLY H H 102 8.086 8.086 7.919 0.167 17948 9074 1 19 . 1 1 103 103 GLU N N 103 119.345 119.345 118.129 1.216 17948 9075 1 19 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.360 -0.030 17948 9076 1 19 . 1 1 103 103 GLU CA C 103 62.300 62.300 55.929 6.371 17948 9077 1 19 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.021 1.733 17948 9078 1 19 . 1 1 103 103 GLU H H 103 7.932 7.932 8.404 -0.472 17948 9079 1 19 . 1 1 104 104 GLU N N 104 122.105 122.105 118.797 3.308 17948 9080 1 19 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.603 -0.331 17948 9081 1 19 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.024 0.208 17948 9082 1 19 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.556 -1.056 17948 9083 1 19 . 1 1 104 104 GLU H H 104 8.325 8.325 8.466 -0.141 17948 9084 1 19 . 1 1 105 105 ASP N N 105 124.188 124.188 119.565 4.623 17948 9085 1 19 . 1 1 105 105 ASP HA H 105 4.610 4.610 5.029 -0.419 17948 9086 1 19 . 1 1 105 105 ASP CA C 105 54.520 54.520 52.698 1.822 17948 9087 1 19 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.620 -0.920 17948 9088 1 19 . 1 1 105 105 ASP H H 105 8.077 8.077 8.376 -0.299 17948 9089 1 19 . 1 1 106 106 PRO HA H 106 4.484 4.484 3.851 0.633 17948 9090 1 19 . 1 1 106 106 PRO CA C 106 63.824 63.824 62.865 0.959 17948 9091 1 19 . 1 1 106 106 PRO CB C 106 32.200 32.200 30.346 1.854 17948 9092 1 19 . 1 1 107 107 THR N N 107 111.950 111.950 115.628 -3.678 17948 9093 1 19 . 1 1 107 107 THR HA H 107 4.273 4.273 3.812 0.461 17948 9094 1 19 . 1 1 107 107 THR CA C 107 62.700 62.700 63.230 -0.530 17948 9095 1 19 . 1 1 107 107 THR CB C 107 69.400 69.400 68.091 1.309 17948 9096 1 19 . 1 1 107 107 THR H H 107 8.339 8.339 7.979 0.360 17948 9097 1 19 . 1 1 108 108 LYS N N 108 123.349 123.349 118.846 4.503 17948 9098 1 19 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.387 -0.030 17948 9099 1 19 . 1 1 108 108 LYS CA C 108 56.000 56.000 55.620 0.380 17948 9100 1 19 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.578 -0.778 17948 9101 1 19 . 1 1 108 108 LYS H H 108 7.727 7.727 8.510 -0.783 17948 9102 1 20 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.908 -0.298 17948 9103 1 20 . 1 1 3 3 ASP H H 3 8.330 8.330 8.245 0.085 17948 9104 1 20 . 1 1 4 4 ALA N N 4 124.218 124.218 121.987 2.231 17948 9105 1 20 . 1 1 4 4 ALA HA H 4 4.260 4.260 5.224 -0.964 17948 9106 1 20 . 1 1 4 4 ALA CA C 4 53.000 53.000 51.956 1.044 17948 9107 1 20 . 1 1 4 4 ALA CB C 4 18.965 18.965 20.538 -1.573 17948 9108 1 20 . 1 1 4 4 ALA H H 4 8.180 8.180 8.802 -0.622 17948 9109 1 20 . 1 1 5 5 GLY N N 5 107.349 107.349 107.003 0.346 17948 9110 1 20 . 1 1 5 5 GLY CA C 5 45.100 45.100 45.055 0.045 17948 9111 1 20 . 1 1 5 5 GLY H H 5 8.344 8.344 8.272 0.072 17948 9112 1 20 . 1 1 6 6 ARG N N 6 119.351 119.351 118.830 0.521 17948 9113 1 20 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.813 -0.543 17948 9114 1 20 . 1 1 6 6 ARG H H 6 7.971 7.971 8.243 -0.272 17948 9115 1 20 . 1 1 7 7 LYS N N 7 122.700 122.700 118.859 3.841 17948 9116 1 20 . 1 1 7 7 LYS HA H 7 4.280 4.280 5.075 -0.795 17948 9117 1 20 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.684 0.716 17948 9118 1 20 . 1 1 7 7 LYS CB C 7 32.900 32.900 34.985 -2.085 17948 9119 1 20 . 1 1 7 7 LYS H H 7 8.034 8.034 8.829 -0.795 17948 9120 1 20 . 1 1 8 8 GLY H H 8 8.340 8.340 8.603 -0.263 17948 9121 1 20 . 1 1 9 9 PHE N N 9 122.017 122.017 117.562 4.455 17948 9122 1 20 . 1 1 9 9 PHE HA H 9 4.620 4.620 5.150 -0.530 17948 9123 1 20 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.888 -2.888 17948 9124 1 20 . 1 1 9 9 PHE CB C 9 39.950 39.950 40.448 -0.498 17948 9125 1 20 . 1 1 9 9 PHE H H 9 8.093 8.093 9.695 -1.602 17948 9126 1 20 . 1 1 10 10 GLY N N 10 120.389 120.389 108.449 11.940 17948 9127 1 20 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.866 0.688 17948 9128 1 20 . 1 1 10 10 GLY H H 10 7.996 7.996 7.685 0.311 17948 9129 1 20 . 1 1 11 11 GLU N N 11 120.847 120.847 120.859 -0.012 17948 9130 1 20 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.180 0.080 17948 9131 1 20 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.889 0.172 17948 9132 1 20 . 1 1 11 11 GLU CB C 11 30.200 30.200 29.461 0.739 17948 9133 1 20 . 1 1 11 11 GLU H H 11 8.168 8.168 8.169 -0.001 17948 9134 1 20 . 1 1 12 12 LYS N N 12 121.524 121.524 123.626 -2.102 17948 9135 1 20 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.418 -0.138 17948 9136 1 20 . 1 1 12 12 LYS CA C 12 56.552 56.552 55.605 0.947 17948 9137 1 20 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.048 -0.248 17948 9138 1 20 . 1 1 12 12 LYS H H 12 8.273 8.273 8.081 0.192 17948 9139 1 20 . 1 1 13 13 ALA N N 13 124.765 124.765 122.035 2.730 17948 9140 1 20 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.225 0.035 17948 9141 1 20 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.342 0.714 17948 9142 1 20 . 1 1 13 13 ALA CB C 13 18.900 18.900 18.647 0.253 17948 9143 1 20 . 1 1 13 13 ALA H H 13 8.288 8.288 8.284 0.004 17948 9144 1 20 . 1 1 14 14 SER N N 14 114.047 114.047 115.671 -1.624 17948 9145 1 20 . 1 1 14 14 SER HA H 14 4.342 4.342 4.398 -0.056 17948 9146 1 20 . 1 1 14 14 SER CA C 14 58.918 58.918 57.733 1.185 17948 9147 1 20 . 1 1 14 14 SER CB C 14 63.539 63.539 64.194 -0.655 17948 9148 1 20 . 1 1 14 14 SER H H 14 8.145 8.145 8.302 -0.157 17948 9149 1 20 . 1 1 15 15 GLU N N 15 122.145 122.145 120.910 1.235 17948 9150 1 20 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.080 0.180 17948 9151 1 20 . 1 1 15 15 GLU CA C 15 48.017 48.017 57.452 -9.435 17948 9152 1 20 . 1 1 15 15 GLU CB C 15 30.341 30.341 29.132 1.209 17948 9153 1 20 . 1 1 15 15 GLU H H 15 8.223 8.223 8.690 -0.467 17948 9154 1 20 . 1 1 16 16 ALA N N 16 123.491 123.491 121.820 1.671 17948 9155 1 20 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.081 0.203 17948 9156 1 20 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.768 -0.268 17948 9157 1 20 . 1 1 16 16 ALA CB C 16 19.200 19.200 18.689 0.512 17948 9158 1 20 . 1 1 16 16 ALA H H 16 8.033 8.033 8.390 -0.357 17948 9159 1 20 . 1 1 17 17 LEU N N 17 120.066 120.066 122.772 -2.706 17948 9160 1 20 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.359 -0.025 17948 9161 1 20 . 1 1 17 17 LEU CA C 17 54.900 54.900 54.651 0.249 17948 9162 1 20 . 1 1 17 17 LEU CB C 17 42.300 42.300 43.373 -1.073 17948 9163 1 20 . 1 1 17 17 LEU H H 17 7.901 7.901 7.829 0.072 17948 9164 1 20 . 1 1 18 18 LYS N N 18 122.658 122.658 121.761 0.897 17948 9165 1 20 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.263 0.017 17948 9166 1 20 . 1 1 18 18 LYS CA C 18 54.000 54.000 56.078 -2.078 17948 9167 1 20 . 1 1 18 18 LYS CB C 18 32.637 32.637 31.732 0.905 17948 9168 1 20 . 1 1 18 18 LYS H H 18 8.081 8.081 8.207 -0.126 17948 9169 1 20 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.599 -0.172 17948 9170 1 20 . 1 1 19 19 PRO CA C 19 63.300 63.300 62.926 0.374 17948 9171 1 20 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.381 -0.481 17948 9172 1 20 . 1 1 20 20 ASP N N 20 119.912 119.912 117.001 2.911 17948 9173 1 20 . 1 1 20 20 ASP HA H 20 4.571 4.571 5.123 -0.552 17948 9174 1 20 . 1 1 20 20 ASP CA C 20 54.500 54.500 53.606 0.894 17948 9175 1 20 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.632 -0.732 17948 9176 1 20 . 1 1 20 20 ASP H H 20 8.398 8.398 8.684 -0.286 17948 9177 1 20 . 1 1 21 21 SER N N 21 115.552 115.552 115.852 -0.300 17948 9178 1 20 . 1 1 21 21 SER HA H 21 4.513 4.513 4.794 -0.281 17948 9179 1 20 . 1 1 21 21 SER CA C 21 58.726 58.726 57.728 0.998 17948 9180 1 20 . 1 1 21 21 SER CB C 21 63.709 63.709 64.568 -0.859 17948 9181 1 20 . 1 1 21 21 SER H H 21 8.113 8.113 8.649 -0.536 17948 9182 1 20 . 1 1 22 22 GLN N N 22 119.920 119.920 121.458 -1.538 17948 9183 1 20 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.700 -0.420 17948 9184 1 20 . 1 1 22 22 GLN H H 22 8.224 8.224 8.523 -0.299 17948 9185 1 20 . 1 1 23 23 LYS N N 23 121.734 121.734 121.520 0.214 17948 9186 1 20 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.998 -0.718 17948 9187 1 20 . 1 1 23 23 LYS CA C 23 56.173 56.173 55.568 0.605 17948 9188 1 20 . 1 1 23 23 LYS CB C 23 30.593 30.593 34.365 -3.772 17948 9189 1 20 . 1 1 23 23 LYS H H 23 8.415 8.415 9.080 -0.665 17948 9190 1 20 . 1 1 24 24 SER N N 24 126.408 126.408 115.417 10.991 17948 9191 1 20 . 1 1 24 24 SER HA H 24 4.510 4.510 5.137 -0.627 17948 9192 1 20 . 1 1 24 24 SER CA C 24 57.341 57.341 57.622 -0.281 17948 9193 1 20 . 1 1 24 24 SER CB C 24 63.800 63.800 64.350 -0.550 17948 9194 1 20 . 1 1 24 24 SER H H 24 7.595 7.595 8.903 -1.308 17948 9195 1 20 . 1 1 25 25 TYR N N 25 120.790 120.790 120.752 0.038 17948 9196 1 20 . 1 1 25 25 TYR HA H 25 4.456 4.456 5.155 -0.699 17948 9197 1 20 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.311 1.425 17948 9198 1 20 . 1 1 25 25 TYR CB C 25 38.069 38.069 40.011 -1.942 17948 9199 1 20 . 1 1 25 25 TYR H H 25 8.370 8.370 9.426 -1.056 17948 9200 1 20 . 1 1 26 26 ALA N N 26 122.684 122.684 125.909 -3.225 17948 9201 1 20 . 1 1 26 26 ALA HA H 26 4.164 4.164 5.183 -1.019 17948 9202 1 20 . 1 1 26 26 ALA CA C 26 54.000 54.000 51.628 2.372 17948 9203 1 20 . 1 1 26 26 ALA CB C 26 18.900 18.900 21.835 -2.935 17948 9204 1 20 . 1 1 26 26 ALA H H 26 8.405 8.405 8.490 -0.085 17948 9205 1 20 . 1 1 27 27 GLU N N 27 118.504 118.504 118.766 -0.262 17948 9206 1 20 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.807 -0.691 17948 9207 1 20 . 1 1 27 27 GLU CA C 27 58.000 58.000 55.962 2.038 17948 9208 1 20 . 1 1 27 27 GLU CB C 27 30.000 30.000 32.028 -2.028 17948 9209 1 20 . 1 1 27 27 GLU H H 27 7.988 7.988 8.895 -0.907 17948 9210 1 20 . 1 1 28 28 GLN N N 28 119.735 119.735 118.191 1.544 17948 9211 1 20 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.709 -0.485 17948 9212 1 20 . 1 1 28 28 GLN CA C 28 57.600 57.600 55.655 1.945 17948 9213 1 20 . 1 1 28 28 GLN CB C 28 29.400 29.400 30.638 -1.238 17948 9214 1 20 . 1 1 28 28 GLN H H 28 8.282 8.282 8.873 -0.591 17948 9215 1 20 . 1 1 29 29 GLY N N 29 108.734 108.734 108.378 0.356 17948 9216 1 20 . 1 1 29 29 GLY CA C 29 46.400 46.400 44.948 1.452 17948 9217 1 20 . 1 1 29 29 GLY H H 29 8.645 8.645 8.738 -0.093 17948 9218 1 20 . 1 1 30 30 LYS N N 30 120.800 120.800 117.903 2.897 17948 9219 1 20 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.488 -0.208 17948 9220 1 20 . 1 1 30 30 LYS CA C 30 57.992 57.992 55.791 2.201 17948 9221 1 20 . 1 1 30 30 LYS CB C 30 29.800 29.800 33.572 -3.772 17948 9222 1 20 . 1 1 30 30 LYS H H 30 8.140 8.140 7.978 0.162 17948 9223 1 20 . 1 1 31 31 GLU N N 31 119.994 119.994 119.168 0.826 17948 9224 1 20 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.713 -0.453 17948 9225 1 20 . 1 1 31 31 GLU CA C 31 59.400 59.400 55.777 3.623 17948 9226 1 20 . 1 1 31 31 GLU CB C 31 32.521 32.521 31.771 0.750 17948 9227 1 20 . 1 1 31 31 GLU H H 31 8.039 8.039 8.854 -0.815 17948 9228 1 20 . 1 1 32 32 TYR N N 32 119.254 119.254 119.216 0.038 17948 9229 1 20 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.951 -0.321 17948 9230 1 20 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.738 0.282 17948 9231 1 20 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.798 -0.638 17948 9232 1 20 . 1 1 32 32 TYR H H 32 7.994 7.994 8.835 -0.841 17948 9233 1 20 . 1 1 33 33 ILE N N 33 121.600 121.600 118.954 2.646 17948 9234 1 20 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.968 -0.944 17948 9235 1 20 . 1 1 33 33 ILE CA C 33 62.100 62.100 59.983 2.116 17948 9236 1 20 . 1 1 33 33 ILE CB C 33 38.300 38.300 41.689 -3.389 17948 9237 1 20 . 1 1 33 33 ILE H H 33 8.260 8.260 8.184 0.076 17948 9238 1 20 . 1 1 34 34 THR N N 34 115.849 115.849 111.546 4.303 17948 9239 1 20 . 1 1 34 34 THR HA H 34 4.480 4.480 4.967 -0.487 17948 9240 1 20 . 1 1 34 34 THR CA C 34 63.600 63.600 61.380 2.220 17948 9241 1 20 . 1 1 34 34 THR CB C 34 69.300 69.300 71.697 -2.397 17948 9242 1 20 . 1 1 34 34 THR H H 34 8.082 8.082 8.385 -0.303 17948 9243 1 20 . 1 1 35 35 ASP N N 35 122.190 122.190 119.215 2.975 17948 9244 1 20 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.853 -0.299 17948 9245 1 20 . 1 1 35 35 ASP CA C 35 55.400 55.400 53.831 1.569 17948 9246 1 20 . 1 1 35 35 ASP CB C 35 41.500 41.500 43.033 -1.533 17948 9247 1 20 . 1 1 35 35 ASP H H 35 8.102 8.102 9.021 -0.919 17948 9248 1 20 . 1 1 36 36 LYS N N 36 119.451 119.451 118.881 0.570 17948 9249 1 20 . 1 1 36 36 LYS HA H 36 4.210 4.210 5.079 -0.869 17948 9250 1 20 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.458 1.042 17948 9251 1 20 . 1 1 36 36 LYS CB C 36 32.500 32.500 34.508 -2.009 17948 9252 1 20 . 1 1 36 36 LYS H H 36 7.983 7.983 8.668 -0.685 17948 9253 1 20 . 1 1 37 37 ALA N N 37 123.038 123.038 122.687 0.351 17948 9254 1 20 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.956 -0.775 17948 9255 1 20 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.074 1.526 17948 9256 1 20 . 1 1 37 37 ALA CB C 37 18.800 18.800 20.836 -2.036 17948 9257 1 20 . 1 1 37 37 ALA H H 37 8.241 8.241 9.044 -0.803 17948 9258 1 20 . 1 1 38 38 ASP N N 38 118.323 118.323 119.384 -1.061 17948 9259 1 20 . 1 1 38 38 ASP HA H 38 4.504 4.504 5.148 -0.644 17948 9260 1 20 . 1 1 38 38 ASP CA C 38 55.100 55.100 53.539 1.561 17948 9261 1 20 . 1 1 38 38 ASP CB C 38 41.000 41.000 42.498 -1.498 17948 9262 1 20 . 1 1 38 38 ASP H H 38 8.144 8.144 8.822 -0.678 17948 9263 1 20 . 1 1 39 39 LYS N N 39 120.011 120.011 121.614 -1.603 17948 9264 1 20 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.578 -0.303 17948 9265 1 20 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.491 0.409 17948 9266 1 20 . 1 1 39 39 LYS CB C 39 32.754 32.754 32.722 0.032 17948 9267 1 20 . 1 1 39 39 LYS H H 39 7.960 7.960 8.757 -0.797 17948 9268 1 20 . 1 1 40 40 VAL N N 40 119.113 119.113 117.576 1.537 17948 9269 1 20 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.322 -0.278 17948 9270 1 20 . 1 1 40 40 VAL CA C 40 62.900 62.900 61.985 0.915 17948 9271 1 20 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.340 0.160 17948 9272 1 20 . 1 1 40 40 VAL H H 40 7.948 7.948 8.216 -0.268 17948 9273 1 20 . 1 1 41 41 ALA N N 41 125.220 125.220 125.180 0.040 17948 9274 1 20 . 1 1 41 41 ALA HA H 41 4.294 4.294 5.346 -1.052 17948 9275 1 20 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.963 0.937 17948 9276 1 20 . 1 1 41 41 ALA CB C 41 19.100 19.100 21.421 -2.321 17948 9277 1 20 . 1 1 41 41 ALA H H 41 8.168 8.168 9.059 -0.891 17948 9278 1 20 . 1 1 42 42 GLY N N 42 107.007 107.007 108.956 -1.949 17948 9279 1 20 . 1 1 42 42 GLY CA C 42 45.400 45.400 44.745 0.655 17948 9280 1 20 . 1 1 42 42 GLY H H 42 8.130 8.130 8.500 -0.370 17948 9281 1 20 . 1 1 43 43 LYS N N 43 122.310 122.310 118.399 3.911 17948 9282 1 20 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.084 0.287 17948 9283 1 20 . 1 1 43 43 LYS CA C 43 56.000 56.000 57.081 -1.081 17948 9284 1 20 . 1 1 43 43 LYS CB C 43 33.000 33.000 32.464 0.536 17948 9285 1 20 . 1 1 43 43 LYS H H 43 8.253 8.253 7.958 0.295 17948 9286 1 20 . 1 1 44 44 VAL N N 44 120.734 120.734 122.804 -2.070 17948 9287 1 20 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.107 0.033 17948 9288 1 20 . 1 1 44 44 VAL CA C 44 62.000 62.000 63.461 -1.461 17948 9289 1 20 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.711 -0.011 17948 9290 1 20 . 1 1 44 44 VAL H H 44 8.026 8.026 8.345 -0.319 17948 9291 1 20 . 1 1 45 45 GLN N N 45 124.893 124.893 125.541 -0.648 17948 9292 1 20 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.528 -0.248 17948 9293 1 20 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.924 -1.524 17948 9294 1 20 . 1 1 45 45 GLN CB C 45 29.000 29.000 27.968 1.032 17948 9295 1 20 . 1 1 45 45 GLN H H 45 8.385 8.385 8.337 0.048 17948 9296 1 20 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.345 -0.174 17948 9297 1 20 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.815 -2.015 17948 9298 1 20 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.443 0.486 17948 9299 1 20 . 1 1 47 47 GLU N N 47 123.526 123.526 118.162 5.364 17948 9300 1 20 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.359 -0.099 17948 9301 1 20 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.160 0.040 17948 9302 1 20 . 1 1 47 47 GLU CB C 47 30.700 30.700 29.820 0.880 17948 9303 1 20 . 1 1 47 47 GLU H H 47 8.039 8.039 8.068 -0.029 17948 9304 1 20 . 1 1 48 48 ASP N N 48 122.131 122.131 119.051 3.080 17948 9305 1 20 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.423 0.175 17948 9306 1 20 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.990 1.339 17948 9307 1 20 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.095 -10.395 17948 9308 1 20 . 1 1 48 48 ASP H H 48 8.402 8.402 8.080 0.322 17948 9309 1 20 . 1 1 49 49 ASN N N 49 121.154 121.154 117.981 3.173 17948 9310 1 20 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.657 0.043 17948 9311 1 20 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.226 -1.626 17948 9312 1 20 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.276 2.297 17948 9313 1 20 . 1 1 49 49 ASN H H 49 8.338 8.338 8.468 -0.130 17948 9314 1 20 . 1 1 50 50 LYS N N 50 120.660 120.660 119.565 1.095 17948 9315 1 20 . 1 1 50 50 LYS HA H 50 4.299 4.299 3.888 0.411 17948 9316 1 20 . 1 1 50 50 LYS H H 50 8.247 8.247 8.450 -0.203 17948 9317 1 20 . 1 1 51 51 GLY N N 51 108.915 108.915 108.131 0.784 17948 9318 1 20 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.584 0.816 17948 9319 1 20 . 1 1 51 51 GLY H H 51 8.320 8.320 7.859 0.461 17948 9320 1 20 . 1 1 52 52 VAL N N 52 118.906 118.906 116.355 2.551 17948 9321 1 20 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.937 -0.891 17948 9322 1 20 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.561 0.839 17948 9323 1 20 . 1 1 52 52 VAL CB C 52 32.500 32.500 33.372 -0.872 17948 9324 1 20 . 1 1 52 52 VAL H H 52 7.836 7.836 8.397 -0.561 17948 9325 1 20 . 1 1 53 53 PHE N N 53 123.002 123.002 117.953 5.049 17948 9326 1 20 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.848 -0.200 17948 9327 1 20 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.899 -1.299 17948 9328 1 20 . 1 1 53 53 PHE CB C 53 39.400 39.400 40.345 -0.945 17948 9329 1 20 . 1 1 53 53 PHE H H 53 8.284 8.284 8.356 -0.072 17948 9330 1 20 . 1 1 54 54 GLN N N 54 122.278 122.278 116.016 6.262 17948 9331 1 20 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.443 -0.130 17948 9332 1 20 . 1 1 54 54 GLN CA C 54 55.800 55.800 56.275 -0.475 17948 9333 1 20 . 1 1 54 54 GLN CB C 54 29.500 29.500 31.810 -2.310 17948 9334 1 20 . 1 1 54 54 GLN H H 54 8.223 8.223 8.672 -0.449 17948 9335 1 20 . 1 1 55 55 GLY N N 55 109.285 109.285 109.641 -0.356 17948 9336 1 20 . 1 1 55 55 GLY CA C 55 45.200 45.200 44.814 0.386 17948 9337 1 20 . 1 1 55 55 GLY H H 55 7.900 7.900 8.164 -0.264 17948 9338 1 20 . 1 1 56 56 VAL H H 56 7.898 7.898 7.154 0.744 17948 9339 1 20 . 1 1 57 57 HIS N N 57 120.411 120.411 118.429 1.982 17948 9340 1 20 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.342 -0.093 17948 9341 1 20 . 1 1 57 57 HIS H H 57 8.529 8.529 8.320 0.209 17948 9342 1 20 . 1 1 58 58 ASP N N 58 120.960 120.960 120.292 0.668 17948 9343 1 20 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.508 0.102 17948 9344 1 20 . 1 1 58 58 ASP H H 58 8.234 8.234 8.303 -0.069 17948 9345 1 20 . 1 1 59 59 SER N N 59 116.391 116.391 114.321 2.070 17948 9346 1 20 . 1 1 59 59 SER HA H 59 4.398 4.398 4.120 0.278 17948 9347 1 20 . 1 1 59 59 SER CA C 59 58.500 58.500 58.773 -0.273 17948 9348 1 20 . 1 1 59 59 SER CB C 59 63.700 63.700 62.606 1.094 17948 9349 1 20 . 1 1 59 59 SER H H 59 8.248 8.248 8.390 -0.142 17948 9350 1 20 . 1 1 60 60 ALA N N 60 125.620 125.620 127.923 -2.303 17948 9351 1 20 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.717 -0.409 17948 9352 1 20 . 1 1 60 60 ALA CA C 60 52.800 52.800 51.078 1.722 17948 9353 1 20 . 1 1 60 60 ALA CB C 60 19.161 19.161 21.297 -2.136 17948 9354 1 20 . 1 1 60 60 ALA H H 60 8.290 8.290 8.028 0.262 17948 9355 1 20 . 1 1 61 61 GLU N N 61 119.550 119.550 119.005 0.545 17948 9356 1 20 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.671 -0.420 17948 9357 1 20 . 1 1 61 61 GLU CA C 61 56.600 56.600 55.700 0.900 17948 9358 1 20 . 1 1 61 61 GLU CB C 61 30.100 30.100 31.641 -1.541 17948 9359 1 20 . 1 1 61 61 GLU H H 61 8.206 8.206 8.566 -0.360 17948 9360 1 20 . 1 1 62 62 LYS N N 62 122.003 122.003 119.176 2.827 17948 9361 1 20 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.406 -0.106 17948 9362 1 20 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.262 0.538 17948 9363 1 20 . 1 1 62 62 LYS CB C 62 32.900 32.900 34.327 -1.427 17948 9364 1 20 . 1 1 62 62 LYS H H 62 8.157 8.157 8.643 -0.486 17948 9365 1 20 . 1 1 63 63 GLY N N 63 109.728 109.728 109.492 0.236 17948 9366 1 20 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.517 -0.217 17948 9367 1 20 . 1 1 63 63 GLY H H 63 8.371 8.371 8.404 -0.033 17948 9368 1 20 . 1 1 64 64 LYS N N 64 120.537 120.537 119.865 0.672 17948 9369 1 20 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.313 0.027 17948 9370 1 20 . 1 1 64 64 LYS CA C 64 56.200 56.200 55.976 0.224 17948 9371 1 20 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.265 -0.265 17948 9372 1 20 . 1 1 64 64 LYS H H 64 8.078 8.078 8.527 -0.449 17948 9373 1 20 . 1 1 65 65 ASP N N 65 120.981 120.981 118.409 2.572 17948 9374 1 20 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.453 0.137 17948 9375 1 20 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.759 -0.459 17948 9376 1 20 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.199 0.001 17948 9377 1 20 . 1 1 65 65 ASP H H 65 8.336 8.336 8.273 0.063 17948 9378 1 20 . 1 1 66 66 ASN N N 66 119.056 119.056 118.638 0.418 17948 9379 1 20 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.641 0.050 17948 9380 1 20 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.622 -0.422 17948 9381 1 20 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.123 -0.123 17948 9382 1 20 . 1 1 66 66 ASN H H 66 8.280 8.280 8.723 -0.443 17948 9383 1 20 . 1 1 67 67 ALA N N 67 124.164 124.164 122.799 1.365 17948 9384 1 20 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.470 -0.157 17948 9385 1 20 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.176 0.548 17948 9386 1 20 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.355 -0.183 17948 9387 1 20 . 1 1 67 67 ALA H H 67 8.248 8.248 8.037 0.211 17948 9388 1 20 . 1 1 68 68 GLU N N 68 119.599 119.599 119.469 0.130 17948 9389 1 20 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.458 -0.176 17948 9390 1 20 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.040 0.772 17948 9391 1 20 . 1 1 68 68 GLU CB C 68 30.126 30.126 31.208 -1.082 17948 9392 1 20 . 1 1 68 68 GLU H H 68 8.295 8.295 8.648 -0.353 17948 9393 1 20 . 1 1 69 69 GLY N N 69 109.616 109.616 108.166 1.450 17948 9394 1 20 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.447 0.993 17948 9395 1 20 . 1 1 69 69 GLY H H 69 8.348 8.348 7.814 0.534 17948 9396 1 20 . 1 1 70 70 GLN N N 70 119.476 119.476 117.997 1.479 17948 9397 1 20 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.353 0.035 17948 9398 1 20 . 1 1 70 70 GLN CA C 70 55.860 55.860 55.525 0.335 17948 9399 1 20 . 1 1 70 70 GLN CB C 70 29.500 29.500 30.486 -0.986 17948 9400 1 20 . 1 1 70 70 GLN H H 70 8.200 8.200 8.600 -0.400 17948 9401 1 20 . 1 1 71 71 GLY N N 71 109.928 109.928 108.400 1.528 17948 9402 1 20 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.861 0.499 17948 9403 1 20 . 1 1 71 71 GLY H H 71 8.438 8.438 8.063 0.375 17948 9404 1 20 . 1 1 72 72 GLU N N 72 120.438 120.438 119.537 0.901 17948 9405 1 20 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.571 -0.173 17948 9406 1 20 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.635 -0.235 17948 9407 1 20 . 1 1 72 72 GLU CB C 72 30.700 30.700 30.602 0.098 17948 9408 1 20 . 1 1 72 72 GLU H H 72 8.296 8.296 8.647 -0.351 17948 9409 1 20 . 1 1 73 73 SER N N 73 117.699 117.699 114.103 3.596 17948 9410 1 20 . 1 1 73 73 SER HA H 73 4.601 4.601 4.386 0.215 17948 9411 1 20 . 1 1 73 73 SER CA C 73 58.011 58.011 58.590 -0.579 17948 9412 1 20 . 1 1 73 73 SER CB C 73 64.816 64.816 62.905 1.911 17948 9413 1 20 . 1 1 73 73 SER H H 73 8.666 8.666 7.934 0.732 17948 9414 1 20 . 1 1 74 74 LEU N N 74 125.422 125.422 123.690 1.732 17948 9415 1 20 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.247 -0.006 17948 9416 1 20 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.290 1.433 17948 9417 1 20 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.718 0.437 17948 9418 1 20 . 1 1 74 74 LEU H H 74 8.899 8.899 8.280 0.619 17948 9419 1 20 . 1 1 75 75 ALA N N 75 120.685 120.685 121.148 -0.463 17948 9420 1 20 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.922 0.099 17948 9421 1 20 . 1 1 75 75 ALA CA C 75 54.800 54.800 54.778 0.022 17948 9422 1 20 . 1 1 75 75 ALA CB C 75 18.600 18.600 17.889 0.711 17948 9423 1 20 . 1 1 75 75 ALA H H 75 8.389 8.389 8.151 0.238 17948 9424 1 20 . 1 1 76 76 ASP N N 76 117.754 117.754 118.487 -0.733 17948 9425 1 20 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.277 0.157 17948 9426 1 20 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.285 -0.585 17948 9427 1 20 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.639 0.044 17948 9428 1 20 . 1 1 76 76 ASP H H 76 7.777 7.777 7.926 -0.149 17948 9429 1 20 . 1 1 77 77 GLN N N 77 119.402 119.402 117.932 1.470 17948 9430 1 20 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.007 0.214 17948 9431 1 20 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.602 -0.757 17948 9432 1 20 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.494 1.108 17948 9433 1 20 . 1 1 77 77 GLN H H 77 8.038 8.038 7.948 0.090 17948 9434 1 20 . 1 1 78 78 ALA N N 78 121.376 121.376 122.462 -1.086 17948 9435 1 20 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.103 0.068 17948 9436 1 20 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.930 -0.380 17948 9437 1 20 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.328 0.526 17948 9438 1 20 . 1 1 78 78 ALA H H 78 8.427 8.427 7.339 1.088 17948 9439 1 20 . 1 1 79 79 ARG N N 79 117.905 117.905 119.038 -1.133 17948 9440 1 20 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.071 -0.053 17948 9441 1 20 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.746 0.547 17948 9442 1 20 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.671 0.488 17948 9443 1 20 . 1 1 79 79 ARG H H 79 8.031 8.031 8.205 -0.174 17948 9444 1 20 . 1 1 80 80 ASP N N 80 120.290 120.290 119.823 0.467 17948 9445 1 20 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.478 0.083 17948 9446 1 20 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.416 -1.140 17948 9447 1 20 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.076 -0.576 17948 9448 1 20 . 1 1 80 80 ASP H H 80 8.126 8.126 7.914 0.212 17948 9449 1 20 . 1 1 81 81 TYR N N 81 120.191 120.191 120.730 -0.539 17948 9450 1 20 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.319 0.021 17948 9451 1 20 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.461 0.658 17948 9452 1 20 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.664 -0.164 17948 9453 1 20 . 1 1 81 81 TYR H H 81 8.250 8.250 7.656 0.594 17948 9454 1 20 . 1 1 82 82 MET N N 82 117.996 117.996 119.533 -1.537 17948 9455 1 20 . 1 1 82 82 MET HA H 82 4.222 4.222 3.960 0.262 17948 9456 1 20 . 1 1 82 82 MET CA C 82 58.618 58.618 60.101 -1.483 17948 9457 1 20 . 1 1 82 82 MET CB C 82 32.875 32.875 32.339 0.536 17948 9458 1 20 . 1 1 82 82 MET H H 82 8.354 8.354 8.665 -0.311 17948 9459 1 20 . 1 1 83 83 GLY N N 83 106.902 106.902 104.631 2.271 17948 9460 1 20 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.187 0.013 17948 9461 1 20 . 1 1 83 83 GLY H H 83 8.365 8.365 7.805 0.560 17948 9462 1 20 . 1 1 84 84 ALA N N 84 124.830 124.830 123.262 1.568 17948 9463 1 20 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.281 0.037 17948 9464 1 20 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.847 0.431 17948 9465 1 20 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.201 0.368 17948 9466 1 20 . 1 1 84 84 ALA H H 84 7.950 7.950 7.264 0.686 17948 9467 1 20 . 1 1 85 85 ALA N N 85 120.542 120.542 121.139 -0.597 17948 9468 1 20 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.901 0.136 17948 9469 1 20 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.878 0.101 17948 9470 1 20 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.175 0.325 17948 9471 1 20 . 1 1 85 85 ALA H H 85 8.274 8.274 8.051 0.223 17948 9472 1 20 . 1 1 86 86 LYS N N 86 116.920 116.920 119.071 -2.151 17948 9473 1 20 . 1 1 86 86 LYS HA H 86 3.887 3.887 4.042 -0.155 17948 9474 1 20 . 1 1 86 86 LYS CA C 86 60.060 60.060 58.670 1.390 17948 9475 1 20 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.606 0.694 17948 9476 1 20 . 1 1 86 86 LYS H H 86 8.265 8.265 7.570 0.695 17948 9477 1 20 . 1 1 87 87 SER N N 87 113.664 113.664 115.304 -1.640 17948 9478 1 20 . 1 1 87 87 SER HA H 87 4.312 4.312 4.182 0.130 17948 9479 1 20 . 1 1 87 87 SER CA C 87 61.330 61.330 61.499 -0.169 17948 9480 1 20 . 1 1 87 87 SER CB C 87 62.900 62.900 62.816 0.084 17948 9481 1 20 . 1 1 87 87 SER H H 87 7.926 7.926 7.806 0.120 17948 9482 1 20 . 1 1 88 88 LYS N N 88 120.310 120.310 120.910 -0.600 17948 9483 1 20 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.058 0.328 17948 9484 1 20 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.035 -1.690 17948 9485 1 20 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.362 -0.562 17948 9486 1 20 . 1 1 88 88 LYS H H 88 7.859 7.859 7.648 0.211 17948 9487 1 20 . 1 1 89 89 LEU N N 89 119.648 119.648 121.450 -1.802 17948 9488 1 20 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.960 0.141 17948 9489 1 20 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.830 0.237 17948 9490 1 20 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.895 0.605 17948 9491 1 20 . 1 1 89 89 LEU H H 89 8.158 8.158 7.871 0.287 17948 9492 1 20 . 1 1 90 90 ASN N N 90 117.422 117.422 117.200 0.222 17948 9493 1 20 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.371 0.027 17948 9494 1 20 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.331 0.728 17948 9495 1 20 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.012 0.488 17948 9496 1 20 . 1 1 90 90 ASN H H 90 8.240 8.240 7.969 0.271 17948 9497 1 20 . 1 1 91 91 ASP N N 91 119.945 119.945 118.144 1.801 17948 9498 1 20 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.422 0.019 17948 9499 1 20 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.840 -0.495 17948 9500 1 20 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.718 -0.418 17948 9501 1 20 . 1 1 91 91 ASP H H 91 8.111 8.111 7.596 0.515 17948 9502 1 20 . 1 1 92 92 ALA N N 92 123.226 123.226 122.475 0.751 17948 9503 1 20 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.189 -0.015 17948 9504 1 20 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.798 0.575 17948 9505 1 20 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.464 -0.164 17948 9506 1 20 . 1 1 92 92 ALA H H 92 8.240 8.240 7.477 0.763 17948 9507 1 20 . 1 1 93 93 VAL N N 93 117.940 117.940 119.451 -1.511 17948 9508 1 20 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.493 0.106 17948 9509 1 20 . 1 1 93 93 VAL CA C 93 66.893 66.893 67.066 -0.173 17948 9510 1 20 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.381 0.232 17948 9511 1 20 . 1 1 93 93 VAL H H 93 8.410 8.410 8.151 0.259 17948 9512 1 20 . 1 1 94 94 GLU N N 94 120.610 120.610 118.645 1.965 17948 9513 1 20 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.878 0.172 17948 9514 1 20 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.574 0.026 17948 9515 1 20 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.680 -0.080 17948 9516 1 20 . 1 1 94 94 GLU H H 94 8.289 8.289 7.932 0.357 17948 9517 1 20 . 1 1 95 95 TYR N N 95 120.241 120.241 118.875 1.366 17948 9518 1 20 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.205 0.065 17948 9519 1 20 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.943 -0.643 17948 9520 1 20 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.693 0.007 17948 9521 1 20 . 1 1 95 95 TYR H H 95 8.186 8.186 7.393 0.793 17948 9522 1 20 . 1 1 96 96 VAL N N 96 116.942 116.942 118.350 -1.408 17948 9523 1 20 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.615 -0.069 17948 9524 1 20 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.300 -0.230 17948 9525 1 20 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.523 0.222 17948 9526 1 20 . 1 1 96 96 VAL H H 96 8.394 8.394 8.169 0.225 17948 9527 1 20 . 1 1 97 97 SER N N 97 113.924 113.924 115.040 -1.116 17948 9528 1 20 . 1 1 97 97 SER HA H 97 4.145 4.145 4.121 0.024 17948 9529 1 20 . 1 1 97 97 SER CA C 97 61.393 61.393 61.164 0.229 17948 9530 1 20 . 1 1 97 97 SER CB C 97 63.415 63.415 62.444 0.971 17948 9531 1 20 . 1 1 97 97 SER H H 97 8.433 8.433 8.622 -0.189 17948 9532 1 20 . 1 1 98 98 GLY N N 98 107.509 107.509 109.080 -1.571 17948 9533 1 20 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.113 0.185 17948 9534 1 20 . 1 1 98 98 GLY H H 98 7.899 7.899 7.700 0.199 17948 9535 1 20 . 1 1 99 99 ARG N N 99 119.471 119.471 119.979 -0.508 17948 9536 1 20 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.258 0.010 17948 9537 1 20 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.785 -0.258 17948 9538 1 20 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.234 0.066 17948 9539 1 20 . 1 1 99 99 ARG H H 99 7.696 7.696 7.858 -0.162 17948 9540 1 20 . 1 1 100 100 VAL N N 100 117.316 117.316 117.558 -0.242 17948 9541 1 20 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.685 0.275 17948 9542 1 20 . 1 1 100 100 VAL CA C 100 63.400 63.400 63.997 -0.597 17948 9543 1 20 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.883 0.437 17948 9544 1 20 . 1 1 100 100 VAL H H 100 7.906 7.906 7.113 0.793 17948 9545 1 20 . 1 1 101 101 HIS N N 101 119.155 119.155 119.471 -0.316 17948 9546 1 20 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.157 0.544 17948 9547 1 20 . 1 1 101 101 HIS CA C 101 56.200 56.200 57.104 -0.904 17948 9548 1 20 . 1 1 101 101 HIS CB C 101 30.048 30.048 28.612 1.436 17948 9549 1 20 . 1 1 101 101 HIS H H 101 8.130 8.130 7.387 0.743 17948 9550 1 20 . 1 1 102 102 GLY N N 102 109.145 109.145 113.710 -4.565 17948 9551 1 20 . 1 1 102 102 GLY CA C 102 45.333 45.333 44.257 1.076 17948 9552 1 20 . 1 1 102 102 GLY H H 102 8.086 8.086 7.966 0.120 17948 9553 1 20 . 1 1 103 103 GLU N N 103 119.345 119.345 118.283 1.062 17948 9554 1 20 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.482 -0.152 17948 9555 1 20 . 1 1 103 103 GLU CA C 103 62.300 62.300 55.300 7.000 17948 9556 1 20 . 1 1 103 103 GLU CB C 103 32.754 32.754 30.482 2.272 17948 9557 1 20 . 1 1 103 103 GLU H H 103 7.932 7.932 7.705 0.227 17948 9558 1 20 . 1 1 104 104 GLU N N 104 122.105 122.105 120.708 1.397 17948 9559 1 20 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.317 -0.045 17948 9560 1 20 . 1 1 104 104 GLU CA C 104 56.232 56.232 57.406 -1.174 17948 9561 1 20 . 1 1 104 104 GLU CB C 104 30.500 30.500 30.920 -0.420 17948 9562 1 20 . 1 1 104 104 GLU H H 104 8.325 8.325 8.684 -0.359 17948 9563 1 20 . 1 1 105 105 ASP N N 105 124.188 124.188 117.813 6.375 17948 9564 1 20 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.506 0.104 17948 9565 1 20 . 1 1 105 105 ASP CA C 105 54.520 54.520 54.874 -0.354 17948 9566 1 20 . 1 1 105 105 ASP CB C 105 40.700 40.700 40.846 -0.146 17948 9567 1 20 . 1 1 105 105 ASP H H 105 8.077 8.077 8.207 -0.130 17948 9568 1 20 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.537 -0.053 17948 9569 1 20 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.293 0.531 17948 9570 1 20 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.460 -0.260 17948 9571 1 20 . 1 1 107 107 THR N N 107 111.950 111.950 112.425 -0.475 17948 9572 1 20 . 1 1 107 107 THR HA H 107 4.273 4.273 4.795 -0.522 17948 9573 1 20 . 1 1 107 107 THR CA C 107 62.700 62.700 62.256 0.444 17948 9574 1 20 . 1 1 107 107 THR CB C 107 69.400 69.400 70.052 -0.652 17948 9575 1 20 . 1 1 107 107 THR H H 107 8.339 8.339 8.368 -0.029 17948 9576 1 20 . 1 1 108 108 LYS N N 108 123.349 123.349 123.147 0.202 17948 9577 1 20 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.621 -0.264 17948 9578 1 20 . 1 1 108 108 LYS CA C 108 56.000 56.000 55.690 0.310 17948 9579 1 20 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.762 0.038 17948 9580 1 20 . 1 1 108 108 LYS H H 108 7.727 7.727 8.193 -0.466 17948 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 100 2.261 -0.415 2.234 17948 2 1 1 "Average Difference" HA 118 0.245 0.046 0.241 17948 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17948 4 1 1 "Average Difference" CA 98 1.495 -0.211 1.488 17948 5 1 1 "Average Difference" CB 86 1.635 0.288 1.619 17948 6 1 1 "Average Difference" HN 103 0.369 -0.010 0.370 17948 7 1 2 "Average Difference" N 100 2.345 -0.664 2.260 17948 8 1 2 "Average Difference" HA 118 0.394 0.166 0.359 17948 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17948 10 1 2 "Average Difference" CA 98 1.466 -0.255 1.451 17948 11 1 2 "Average Difference" CB 86 1.589 0.520 1.510 17948 12 1 2 "Average Difference" HN 103 0.468 0.139 0.449 17948 13 1 3 "Average Difference" N 100 2.459 -0.271 2.457 17948 14 1 3 "Average Difference" HA 118 0.249 0.050 0.245 17948 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17948 16 1 3 "Average Difference" CA 98 1.456 -0.136 1.457 17948 17 1 3 "Average Difference" CB 86 1.604 0.296 1.585 17948 18 1 3 "Average Difference" HN 103 0.412 0.055 0.410 17948 19 1 4 "Average Difference" N 100 2.823 -0.430 2.805 17948 20 1 4 "Average Difference" HA 118 0.294 0.041 0.293 17948 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17948 22 1 4 "Average Difference" CA 98 1.501 -0.213 1.493 17948 23 1 4 "Average Difference" CB 86 1.703 0.238 1.696 17948 24 1 4 "Average Difference" HN 103 0.416 0.004 0.418 17948 25 1 5 "Average Difference" N 100 2.609 -0.664 2.536 17948 26 1 5 "Average Difference" HA 118 0.268 0.059 0.263 17948 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17948 28 1 5 "Average Difference" CA 98 1.505 -0.080 1.510 17948 29 1 5 "Average Difference" CB 86 1.410 0.203 1.404 17948 30 1 5 "Average Difference" HN 103 0.384 0.027 0.385 17948 31 1 6 "Average Difference" N 100 2.524 -0.576 2.469 17948 32 1 6 "Average Difference" HA 118 0.338 0.140 0.310 17948 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17948 34 1 6 "Average Difference" CA 98 1.584 -0.276 1.568 17948 35 1 6 "Average Difference" CB 86 1.724 0.527 1.651 17948 36 1 6 "Average Difference" HN 103 0.467 0.120 0.453 17948 37 1 7 "Average Difference" N 100 2.500 -0.371 2.485 17948 38 1 7 "Average Difference" HA 118 0.322 0.092 0.310 17948 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17948 40 1 7 "Average Difference" CA 98 1.351 -0.291 1.326 17948 41 1 7 "Average Difference" CB 86 1.599 0.337 1.572 17948 42 1 7 "Average Difference" HN 103 0.452 0.043 0.452 17948 43 1 8 "Average Difference" N 100 2.418 -0.504 2.377 17948 44 1 8 "Average Difference" HA 118 0.353 0.125 0.332 17948 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17948 46 1 8 "Average Difference" CA 98 1.417 -0.203 1.409 17948 47 1 8 "Average Difference" CB 86 1.865 0.526 1.800 17948 48 1 8 "Average Difference" HN 103 0.501 0.112 0.491 17948 49 1 9 "Average Difference" N 100 2.732 -0.150 2.742 17948 50 1 9 "Average Difference" HA 118 0.254 0.049 0.250 17948 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17948 52 1 9 "Average Difference" CA 98 1.475 -0.151 1.474 17948 53 1 9 "Average Difference" CB 86 1.576 0.203 1.572 17948 54 1 9 "Average Difference" HN 103 0.389 0.040 0.389 17948 55 1 10 "Average Difference" N 100 2.639 -0.456 2.613 17948 56 1 10 "Average Difference" HA 118 0.224 -0.002 0.225 17948 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17948 58 1 10 "Average Difference" CA 98 1.426 -0.090 1.431 17948 59 1 10 "Average Difference" CB 86 1.562 0.123 1.566 17948 60 1 10 "Average Difference" HN 103 0.400 0.001 0.402 17948 61 1 11 "Average Difference" N 100 2.202 -0.156 2.207 17948 62 1 11 "Average Difference" HA 118 0.297 0.112 0.276 17948 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17948 64 1 11 "Average Difference" CA 98 1.475 -0.228 1.465 17948 65 1 11 "Average Difference" CB 86 1.819 0.515 1.754 17948 66 1 11 "Average Difference" HN 103 0.422 0.104 0.411 17948 67 1 12 "Average Difference" N 100 2.768 -0.160 2.778 17948 68 1 12 "Average Difference" HA 118 0.285 0.073 0.277 17948 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17948 70 1 12 "Average Difference" CA 98 1.582 -0.139 1.584 17948 71 1 12 "Average Difference" CB 86 1.673 0.224 1.668 17948 72 1 12 "Average Difference" HN 103 0.435 0.055 0.433 17948 73 1 13 "Average Difference" N 100 2.869 -0.288 2.868 17948 74 1 13 "Average Difference" HA 118 0.251 -0.002 0.253 17948 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17948 76 1 13 "Average Difference" CA 98 1.395 -0.116 1.397 17948 77 1 13 "Average Difference" CB 86 1.452 0.150 1.453 17948 78 1 13 "Average Difference" HN 103 0.390 0.020 0.392 17948 79 1 14 "Average Difference" N 100 2.552 -0.386 2.535 17948 80 1 14 "Average Difference" HA 118 0.255 0.045 0.252 17948 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17948 82 1 14 "Average Difference" CA 98 1.355 -0.140 1.355 17948 83 1 14 "Average Difference" CB 86 1.643 0.237 1.636 17948 84 1 14 "Average Difference" HN 103 0.421 0.018 0.423 17948 85 1 15 "Average Difference" N 100 2.544 -0.586 2.488 17948 86 1 15 "Average Difference" HA 118 0.312 0.089 0.300 17948 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17948 88 1 15 "Average Difference" CA 98 1.475 -0.175 1.472 17948 89 1 15 "Average Difference" CB 86 1.610 0.368 1.577 17948 90 1 15 "Average Difference" HN 103 0.472 0.045 0.472 17948 91 1 16 "Average Difference" N 100 2.375 -0.401 2.353 17948 92 1 16 "Average Difference" HA 118 0.250 0.050 0.246 17948 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17948 94 1 16 "Average Difference" CA 98 1.345 -0.170 1.341 17948 95 1 16 "Average Difference" CB 86 1.551 0.098 1.557 17948 96 1 16 "Average Difference" HN 103 0.408 0.020 0.409 17948 97 1 17 "Average Difference" N 100 2.561 -0.576 2.508 17948 98 1 17 "Average Difference" HA 118 0.328 0.107 0.311 17948 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17948 100 1 17 "Average Difference" CA 98 1.459 -0.232 1.448 17948 101 1 17 "Average Difference" CB 86 1.614 0.403 1.572 17948 102 1 17 "Average Difference" HN 103 0.442 0.079 0.438 17948 103 1 18 "Average Difference" N 100 2.622 -0.346 2.612 17948 104 1 18 "Average Difference" HA 118 0.281 0.108 0.260 17948 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17948 106 1 18 "Average Difference" CA 98 1.393 -0.262 1.375 17948 107 1 18 "Average Difference" CB 86 1.735 0.510 1.668 17948 108 1 18 "Average Difference" HN 103 0.367 0.040 0.367 17948 109 1 19 "Average Difference" N 100 2.787 -0.754 2.697 17948 110 1 19 "Average Difference" HA 118 0.319 0.118 0.298 17948 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17948 112 1 19 "Average Difference" CA 98 1.494 -0.272 1.477 17948 113 1 19 "Average Difference" CB 86 1.734 0.373 1.703 17948 114 1 19 "Average Difference" HN 103 0.412 0.075 0.407 17948 115 1 20 "Average Difference" N 100 2.672 -0.927 2.519 17948 116 1 20 "Average Difference" HA 118 0.391 0.118 0.374 17948 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17948 118 1 20 "Average Difference" CA 98 1.620 -0.257 1.608 17948 119 1 20 "Average Difference" CB 86 1.703 0.477 1.645 17948 120 1 20 "Average Difference" HN 103 0.502 0.086 0.497 17948 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 17948 _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 3 3 ASP HA H 3 4.610 4.610 4.724 -0.114 17948 2 1 . 1 1 3 3 ASP H H 3 8.330 8.330 8.581 -0.252 17948 3 1 . 1 1 4 4 ALA N N 4 124.218 124.218 123.160 1.058 17948 4 1 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.493 -0.233 17948 5 1 . 1 1 4 4 ALA CA C 4 53.000 53.000 52.259 0.741 17948 6 1 . 1 1 4 4 ALA CB C 4 18.965 18.965 19.859 -0.894 17948 7 1 . 1 1 4 4 ALA H H 4 8.180 8.180 8.210 -0.030 17948 8 1 . 1 1 5 5 GLY N N 5 107.349 107.349 107.662 -0.313 17948 9 1 . 1 1 5 5 GLY CA C 5 45.100 45.100 44.934 0.166 17948 10 1 . 1 1 5 5 GLY H H 5 8.344 8.344 8.616 -0.272 17948 11 1 . 1 1 6 6 ARG N N 6 119.351 119.351 120.329 -0.978 17948 12 1 . 1 1 6 6 ARG HA H 6 4.270 4.270 4.621 -0.351 17948 13 1 . 1 1 6 6 ARG H H 6 7.971 7.971 8.553 -0.582 17948 14 1 . 1 1 7 7 LYS N N 7 122.700 122.700 120.530 2.170 17948 15 1 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.746 -0.466 17948 16 1 . 1 1 7 7 LYS CA C 7 56.400 56.400 55.932 0.468 17948 17 1 . 1 1 7 7 LYS CB C 7 32.900 32.900 34.299 -1.399 17948 18 1 . 1 1 7 7 LYS H H 7 8.034 8.034 8.658 -0.624 17948 19 1 . 1 1 8 8 GLY H H 8 8.340 8.340 8.511 -0.171 17948 20 1 . 1 1 9 9 PHE N N 9 122.017 122.017 119.530 2.487 17948 21 1 . 1 1 9 9 PHE HA H 9 4.620 4.620 4.894 -0.274 17948 22 1 . 1 1 9 9 PHE CA C 9 56.000 56.000 58.259 -2.259 17948 23 1 . 1 1 9 9 PHE CB C 9 39.950 39.950 40.035 -0.085 17948 24 1 . 1 1 9 9 PHE H H 9 8.093 8.093 8.762 -0.668 17948 25 1 . 1 1 10 10 GLY N N 10 120.389 120.389 109.103 11.286 17948 26 1 . 1 1 10 10 GLY CA C 10 45.554 45.554 44.880 0.674 17948 27 1 . 1 1 10 10 GLY H H 10 7.996 7.996 8.429 -0.433 17948 28 1 . 1 1 11 11 GLU N N 11 120.847 120.847 120.210 0.637 17948 29 1 . 1 1 11 11 GLU HA H 11 4.260 4.260 4.414 -0.154 17948 30 1 . 1 1 11 11 GLU CA C 11 57.061 57.061 56.514 0.547 17948 31 1 . 1 1 11 11 GLU CB C 11 30.200 30.200 30.508 -0.308 17948 32 1 . 1 1 11 11 GLU H H 11 8.168 8.168 8.554 -0.386 17948 33 1 . 1 1 12 12 LYS N N 12 121.524 121.524 120.137 1.387 17948 34 1 . 1 1 12 12 LYS HA H 12 4.280 4.280 4.492 -0.212 17948 35 1 . 1 1 12 12 LYS CA C 12 56.552 56.552 56.263 0.289 17948 36 1 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.254 -0.454 17948 37 1 . 1 1 12 12 LYS H H 12 8.273 8.273 8.360 -0.087 17948 38 1 . 1 1 13 13 ALA N N 13 124.765 124.765 123.943 0.822 17948 39 1 . 1 1 13 13 ALA HA H 13 4.260 4.260 4.533 -0.273 17948 40 1 . 1 1 13 13 ALA CA C 13 53.056 53.056 52.042 1.014 17948 41 1 . 1 1 13 13 ALA CB C 13 18.900 18.900 19.750 -0.850 17948 42 1 . 1 1 13 13 ALA H H 13 8.288 8.288 8.361 -0.073 17948 43 1 . 1 1 14 14 SER N N 14 114.047 114.047 115.156 -1.109 17948 44 1 . 1 1 14 14 SER HA H 14 4.342 4.342 4.675 -0.333 17948 45 1 . 1 1 14 14 SER CA C 14 58.918 58.918 58.236 0.681 17948 46 1 . 1 1 14 14 SER CB C 14 63.539 63.539 64.237 -0.698 17948 47 1 . 1 1 14 14 SER H H 14 8.145 8.145 8.471 -0.326 17948 48 1 . 1 1 15 15 GLU N N 15 122.145 122.145 121.128 1.017 17948 49 1 . 1 1 15 15 GLU HA H 15 4.260 4.260 4.578 -0.318 17948 50 1 . 1 1 15 15 GLU CA C 15 48.017 48.017 56.357 -8.340 17948 51 1 . 1 1 15 15 GLU CB C 15 30.341 30.341 30.595 -0.254 17948 52 1 . 1 1 15 15 GLU H H 15 8.223 8.223 8.608 -0.385 17948 53 1 . 1 1 16 16 ALA N N 16 123.491 123.491 123.846 -0.355 17948 54 1 . 1 1 16 16 ALA HA H 16 4.284 4.284 4.501 -0.217 17948 55 1 . 1 1 16 16 ALA CA C 16 52.500 52.500 52.151 0.349 17948 56 1 . 1 1 16 16 ALA CB C 16 19.200 19.200 19.595 -0.395 17948 57 1 . 1 1 16 16 ALA H H 16 8.033 8.033 8.352 -0.319 17948 58 1 . 1 1 17 17 LEU N N 17 120.066 120.066 120.668 -0.602 17948 59 1 . 1 1 17 17 LEU HA H 17 4.334 4.334 4.554 -0.220 17948 60 1 . 1 1 17 17 LEU CA C 17 54.900 54.900 55.172 -0.272 17948 61 1 . 1 1 17 17 LEU CB C 17 42.300 42.300 43.153 -0.853 17948 62 1 . 1 1 17 17 LEU H H 17 7.901 7.901 8.274 -0.373 17948 63 1 . 1 1 18 18 LYS N N 18 122.658 122.658 121.203 1.455 17948 64 1 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.616 -0.336 17948 65 1 . 1 1 18 18 LYS CA C 18 54.000 54.000 55.134 -1.134 17948 66 1 . 1 1 18 18 LYS CB C 18 32.637 32.637 33.084 -0.447 17948 67 1 . 1 1 18 18 LYS H H 18 8.081 8.081 8.319 -0.238 17948 68 1 . 1 1 19 19 PRO HA H 19 4.427 4.427 4.556 -0.129 17948 69 1 . 1 1 19 19 PRO CA C 19 63.300 63.300 63.148 0.151 17948 70 1 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.184 -0.284 17948 71 1 . 1 1 20 20 ASP N N 20 119.912 119.912 118.838 1.074 17948 72 1 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.745 -0.174 17948 73 1 . 1 1 20 20 ASP CA C 20 54.500 54.500 54.096 0.404 17948 74 1 . 1 1 20 20 ASP CB C 20 40.900 40.900 41.425 -0.525 17948 75 1 . 1 1 20 20 ASP H H 20 8.398 8.398 8.412 -0.014 17948 76 1 . 1 1 21 21 SER N N 21 115.552 115.552 115.993 -0.441 17948 77 1 . 1 1 21 21 SER HA H 21 4.513 4.513 4.586 -0.073 17948 78 1 . 1 1 21 21 SER CA C 21 58.726 58.726 58.266 0.460 17948 79 1 . 1 1 21 21 SER CB C 21 63.709 63.709 64.460 -0.751 17948 80 1 . 1 1 21 21 SER H H 21 8.113 8.113 8.254 -0.141 17948 81 1 . 1 1 22 22 GLN N N 22 119.920 119.920 120.870 -0.950 17948 82 1 . 1 1 22 22 GLN HA H 22 4.280 4.280 4.456 -0.176 17948 83 1 . 1 1 22 22 GLN H H 22 8.224 8.224 8.417 -0.193 17948 84 1 . 1 1 23 23 LYS N N 23 121.734 121.734 120.864 0.870 17948 85 1 . 1 1 23 23 LYS HA H 23 4.280 4.280 4.457 -0.177 17948 86 1 . 1 1 23 23 LYS CA C 23 56.173 56.173 56.425 -0.252 17948 87 1 . 1 1 23 23 LYS CB C 23 30.593 30.593 33.133 -2.540 17948 88 1 . 1 1 23 23 LYS H H 23 8.415 8.415 8.532 -0.117 17948 89 1 . 1 1 24 24 SER N N 24 126.408 126.408 115.138 11.270 17948 90 1 . 1 1 24 24 SER HA H 24 4.510 4.510 4.571 -0.061 17948 91 1 . 1 1 24 24 SER CA C 24 57.341 57.341 58.133 -0.792 17948 92 1 . 1 1 24 24 SER CB C 24 63.800 63.800 63.858 -0.058 17948 93 1 . 1 1 24 24 SER H H 24 7.595 7.595 8.262 -0.667 17948 94 1 . 1 1 25 25 TYR N N 25 120.790 120.790 120.518 0.272 17948 95 1 . 1 1 25 25 TYR HA H 25 4.456 4.456 4.734 -0.278 17948 96 1 . 1 1 25 25 TYR CA C 25 59.736 59.736 58.198 1.539 17948 97 1 . 1 1 25 25 TYR CB C 25 38.069 38.069 39.106 -1.037 17948 98 1 . 1 1 25 25 TYR H H 25 8.370 8.370 8.428 -0.058 17948 99 1 . 1 1 26 26 ALA N N 26 122.684 122.684 123.992 -1.308 17948 100 1 . 1 1 26 26 ALA HA H 26 4.164 4.164 4.416 -0.252 17948 101 1 . 1 1 26 26 ALA CA C 26 54.000 54.000 52.323 1.677 17948 102 1 . 1 1 26 26 ALA CB C 26 18.900 18.900 19.599 -0.699 17948 103 1 . 1 1 26 26 ALA H H 26 8.405 8.405 8.280 0.125 17948 104 1 . 1 1 27 27 GLU N N 27 118.504 118.504 119.364 -0.860 17948 105 1 . 1 1 27 27 GLU HA H 27 4.116 4.116 4.338 -0.222 17948 106 1 . 1 1 27 27 GLU CA C 27 58.000 58.000 56.742 1.258 17948 107 1 . 1 1 27 27 GLU CB C 27 30.000 30.000 30.199 -0.199 17948 108 1 . 1 1 27 27 GLU H H 27 7.988 7.988 8.564 -0.576 17948 109 1 . 1 1 28 28 GLN N N 28 119.735 119.735 119.221 0.514 17948 110 1 . 1 1 28 28 GLN HA H 28 4.224 4.224 4.433 -0.209 17948 111 1 . 1 1 28 28 GLN CA C 28 57.600 57.600 56.029 1.571 17948 112 1 . 1 1 28 28 GLN CB C 28 29.400 29.400 29.815 -0.415 17948 113 1 . 1 1 28 28 GLN H H 28 8.282 8.282 8.471 -0.189 17948 114 1 . 1 1 29 29 GLY N N 29 108.734 108.734 109.261 -0.526 17948 115 1 . 1 1 29 29 GLY CA C 29 46.400 46.400 45.047 1.353 17948 116 1 . 1 1 29 29 GLY H H 29 8.645 8.645 8.429 0.216 17948 117 1 . 1 1 30 30 LYS N N 30 120.800 120.800 120.403 0.397 17948 118 1 . 1 1 30 30 LYS HA H 30 4.280 4.280 4.479 -0.198 17948 119 1 . 1 1 30 30 LYS CA C 30 57.992 57.992 56.177 1.815 17948 120 1 . 1 1 30 30 LYS CB C 30 29.800 29.800 33.549 -3.749 17948 121 1 . 1 1 30 30 LYS H H 30 8.140 8.140 8.418 -0.278 17948 122 1 . 1 1 31 31 GLU N N 31 119.994 119.994 120.189 -0.195 17948 123 1 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.419 -0.159 17948 124 1 . 1 1 31 31 GLU CA C 31 59.400 59.400 56.176 3.224 17948 125 1 . 1 1 31 31 GLU CB C 31 32.521 32.521 30.768 1.753 17948 126 1 . 1 1 31 31 GLU H H 31 8.039 8.039 8.555 -0.516 17948 127 1 . 1 1 32 32 TYR N N 32 119.254 119.254 120.576 -1.322 17948 128 1 . 1 1 32 32 TYR HA H 32 4.630 4.630 4.730 -0.100 17948 129 1 . 1 1 32 32 TYR CA C 32 58.020 58.020 57.814 0.206 17948 130 1 . 1 1 32 32 TYR CB C 32 39.160 39.160 39.379 -0.219 17948 131 1 . 1 1 32 32 TYR H H 32 7.994 7.994 8.347 -0.353 17948 132 1 . 1 1 33 33 ILE N N 33 121.600 121.600 120.863 0.737 17948 133 1 . 1 1 33 33 ILE HA H 33 4.024 4.024 4.425 -0.401 17948 134 1 . 1 1 33 33 ILE CA C 33 62.100 62.100 61.038 1.062 17948 135 1 . 1 1 33 33 ILE CB C 33 38.300 38.300 39.474 -1.174 17948 136 1 . 1 1 33 33 ILE H H 33 8.260 8.260 8.207 0.053 17948 137 1 . 1 1 34 34 THR N N 34 115.849 115.849 116.873 -1.024 17948 138 1 . 1 1 34 34 THR HA H 34 4.480 4.480 4.467 0.013 17948 139 1 . 1 1 34 34 THR CA C 34 63.600 63.600 62.048 1.552 17948 140 1 . 1 1 34 34 THR CB C 34 69.300 69.300 70.004 -0.704 17948 141 1 . 1 1 34 34 THR H H 34 8.082 8.082 8.283 -0.201 17948 142 1 . 1 1 35 35 ASP N N 35 122.190 122.190 120.970 1.220 17948 143 1 . 1 1 35 35 ASP HA H 35 4.554 4.554 4.693 -0.140 17948 144 1 . 1 1 35 35 ASP CA C 35 55.400 55.400 54.206 1.194 17948 145 1 . 1 1 35 35 ASP CB C 35 41.500 41.500 41.937 -0.437 17948 146 1 . 1 1 35 35 ASP H H 35 8.102 8.102 8.343 -0.241 17948 147 1 . 1 1 36 36 LYS N N 36 119.451 119.451 120.563 -1.112 17948 148 1 . 1 1 36 36 LYS HA H 36 4.210 4.210 4.513 -0.303 17948 149 1 . 1 1 36 36 LYS CA C 36 56.500 56.500 55.968 0.532 17948 150 1 . 1 1 36 36 LYS CB C 36 32.500 32.500 33.563 -1.063 17948 151 1 . 1 1 36 36 LYS H H 36 7.983 7.983 8.299 -0.316 17948 152 1 . 1 1 37 37 ALA N N 37 123.038 123.038 123.879 -0.841 17948 153 1 . 1 1 37 37 ALA HA H 37 4.181 4.181 4.430 -0.249 17948 154 1 . 1 1 37 37 ALA CA C 37 53.600 53.600 52.438 1.162 17948 155 1 . 1 1 37 37 ALA CB C 37 18.800 18.800 19.527 -0.727 17948 156 1 . 1 1 37 37 ALA H H 37 8.241 8.241 8.419 -0.178 17948 157 1 . 1 1 38 38 ASP N N 38 118.323 118.323 119.770 -1.448 17948 158 1 . 1 1 38 38 ASP HA H 38 4.504 4.504 4.716 -0.212 17948 159 1 . 1 1 38 38 ASP CA C 38 55.100 55.100 54.195 0.905 17948 160 1 . 1 1 38 38 ASP CB C 38 41.000 41.000 41.745 -0.745 17948 161 1 . 1 1 38 38 ASP H H 38 8.144 8.144 8.418 -0.274 17948 162 1 . 1 1 39 39 LYS N N 39 120.011 120.011 120.709 -0.698 17948 163 1 . 1 1 39 39 LYS HA H 39 4.275 4.275 4.448 -0.173 17948 164 1 . 1 1 39 39 LYS CA C 39 56.900 56.900 56.340 0.560 17948 165 1 . 1 1 39 39 LYS CB C 39 32.754 32.754 33.082 -0.328 17948 166 1 . 1 1 39 39 LYS H H 39 7.960 7.960 8.316 -0.356 17948 167 1 . 1 1 40 40 VAL N N 40 119.113 119.113 118.708 0.405 17948 168 1 . 1 1 40 40 VAL HA H 40 4.044 4.044 4.237 -0.193 17948 169 1 . 1 1 40 40 VAL CA C 40 62.900 62.900 62.306 0.594 17948 170 1 . 1 1 40 40 VAL CB C 40 32.500 32.500 32.494 0.006 17948 171 1 . 1 1 40 40 VAL H H 40 7.948 7.948 8.285 -0.337 17948 172 1 . 1 1 41 41 ALA N N 41 125.220 125.220 125.226 -0.006 17948 173 1 . 1 1 41 41 ALA HA H 41 4.294 4.294 4.633 -0.339 17948 174 1 . 1 1 41 41 ALA CA C 41 52.900 52.900 51.927 0.973 17948 175 1 . 1 1 41 41 ALA CB C 41 19.100 19.100 19.813 -0.713 17948 176 1 . 1 1 41 41 ALA H H 41 8.168 8.168 8.308 -0.141 17948 177 1 . 1 1 42 42 GLY N N 42 107.007 107.007 108.237 -1.230 17948 178 1 . 1 1 42 42 GLY CA C 42 45.400 45.400 45.047 0.353 17948 179 1 . 1 1 42 42 GLY H H 42 8.130 8.130 8.446 -0.316 17948 180 1 . 1 1 43 43 LYS N N 43 122.310 122.310 120.540 1.770 17948 181 1 . 1 1 43 43 LYS HA H 43 4.371 4.371 4.533 -0.162 17948 182 1 . 1 1 43 43 LYS CA C 43 56.000 56.000 55.925 0.075 17948 183 1 . 1 1 43 43 LYS CB C 43 33.000 33.000 33.844 -0.844 17948 184 1 . 1 1 43 43 LYS H H 43 8.253 8.253 8.291 -0.038 17948 185 1 . 1 1 44 44 VAL N N 44 120.734 120.734 119.924 0.810 17948 186 1 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.251 -0.111 17948 187 1 . 1 1 44 44 VAL CA C 44 62.000 62.000 62.426 -0.426 17948 188 1 . 1 1 44 44 VAL CB C 44 32.700 32.700 32.809 -0.109 17948 189 1 . 1 1 44 44 VAL H H 44 8.026 8.026 8.240 -0.214 17948 190 1 . 1 1 45 45 GLN N N 45 124.893 124.893 122.592 2.301 17948 191 1 . 1 1 45 45 GLN HA H 45 4.280 4.280 4.586 -0.306 17948 192 1 . 1 1 45 45 GLN CA C 45 53.400 53.400 54.511 -1.111 17948 193 1 . 1 1 45 45 GLN CB C 45 29.000 29.000 29.133 -0.133 17948 194 1 . 1 1 45 45 GLN H H 45 8.385 8.385 8.416 -0.031 17948 195 1 . 1 1 46 46 PRO HA H 46 4.171 4.171 4.455 -0.284 17948 196 1 . 1 1 46 46 PRO CA C 46 61.800 61.800 63.171 -1.371 17948 197 1 . 1 1 46 46 PRO CB C 46 32.929 32.929 32.380 0.549 17948 198 1 . 1 1 47 47 GLU N N 47 123.526 123.526 119.384 4.142 17948 199 1 . 1 1 47 47 GLU HA H 47 4.260 4.260 4.308 -0.048 17948 200 1 . 1 1 47 47 GLU CA C 47 56.200 56.200 56.361 -0.161 17948 201 1 . 1 1 47 47 GLU CB C 47 30.700 30.700 30.288 0.412 17948 202 1 . 1 1 47 47 GLU H H 47 8.039 8.039 8.390 -0.351 17948 203 1 . 1 1 48 48 ASP N N 48 122.131 122.131 120.567 1.564 17948 204 1 . 1 1 48 48 ASP HA H 48 4.598 4.598 4.687 -0.089 17948 205 1 . 1 1 48 48 ASP CA C 48 56.330 56.330 54.285 2.045 17948 206 1 . 1 1 48 48 ASP CB C 48 30.700 30.700 41.665 -10.965 17948 207 1 . 1 1 48 48 ASP H H 48 8.402 8.402 8.465 -0.063 17948 208 1 . 1 1 49 49 ASN N N 49 121.154 121.154 118.067 3.087 17948 209 1 . 1 1 49 49 ASN HA H 49 4.700 4.700 4.722 -0.022 17948 210 1 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.191 -1.591 17948 211 1 . 1 1 49 49 ASN CB C 49 41.573 41.573 39.820 1.753 17948 212 1 . 1 1 49 49 ASN H H 49 8.338 8.338 8.344 -0.006 17948 213 1 . 1 1 50 50 LYS N N 50 120.660 120.660 120.068 0.592 17948 214 1 . 1 1 50 50 LYS HA H 50 4.299 4.299 4.417 -0.118 17948 215 1 . 1 1 50 50 LYS H H 50 8.247 8.247 8.466 -0.220 17948 216 1 . 1 1 51 51 GLY N N 51 108.915 108.915 109.736 -0.821 17948 217 1 . 1 1 51 51 GLY CA C 51 45.400 45.400 44.879 0.521 17948 218 1 . 1 1 51 51 GLY H H 51 8.320 8.320 8.232 0.088 17948 219 1 . 1 1 52 52 VAL N N 52 118.906 118.906 119.572 -0.666 17948 220 1 . 1 1 52 52 VAL HA H 52 4.046 4.046 4.384 -0.338 17948 221 1 . 1 1 52 52 VAL CA C 52 62.400 62.400 61.986 0.414 17948 222 1 . 1 1 52 52 VAL CB C 52 32.500 32.500 32.945 -0.445 17948 223 1 . 1 1 52 52 VAL H H 52 7.836 7.836 8.186 -0.350 17948 224 1 . 1 1 53 53 PHE N N 53 123.002 123.002 122.690 0.312 17948 225 1 . 1 1 53 53 PHE HA H 53 4.648 4.648 4.680 -0.032 17948 226 1 . 1 1 53 53 PHE CA C 53 57.600 57.600 58.005 -0.405 17948 227 1 . 1 1 53 53 PHE CB C 53 39.400 39.400 39.999 -0.599 17948 228 1 . 1 1 53 53 PHE H H 53 8.284 8.284 8.226 0.058 17948 229 1 . 1 1 54 54 GLN N N 54 122.278 122.278 121.436 0.842 17948 230 1 . 1 1 54 54 GLN HA H 54 4.313 4.313 4.505 -0.192 17948 231 1 . 1 1 54 54 GLN CA C 54 55.800 55.800 55.531 0.269 17948 232 1 . 1 1 54 54 GLN CB C 54 29.500 29.500 30.292 -0.792 17948 233 1 . 1 1 54 54 GLN H H 54 8.223 8.223 8.571 -0.348 17948 234 1 . 1 1 55 55 GLY N N 55 109.285 109.285 109.127 0.158 17948 235 1 . 1 1 55 55 GLY CA C 55 45.200 45.200 45.017 0.183 17948 236 1 . 1 1 55 55 GLY H H 55 7.900 7.900 8.346 -0.446 17948 237 1 . 1 1 56 56 VAL H H 56 7.898 7.898 7.991 -0.093 17948 238 1 . 1 1 57 57 HIS N N 57 120.411 120.411 121.043 -0.632 17948 239 1 . 1 1 57 57 HIS HA H 57 4.249 4.249 4.731 -0.482 17948 240 1 . 1 1 57 57 HIS H H 57 8.529 8.529 8.248 0.281 17948 241 1 . 1 1 58 58 ASP N N 58 120.960 120.960 120.609 0.351 17948 242 1 . 1 1 58 58 ASP HA H 58 4.610 4.610 4.738 -0.128 17948 243 1 . 1 1 58 58 ASP H H 58 8.234 8.234 8.330 -0.096 17948 244 1 . 1 1 59 59 SER N N 59 116.391 116.391 115.481 0.910 17948 245 1 . 1 1 59 59 SER HA H 59 4.398 4.398 4.632 -0.234 17948 246 1 . 1 1 59 59 SER CA C 59 58.500 58.500 58.164 0.336 17948 247 1 . 1 1 59 59 SER CB C 59 63.700 63.700 64.154 -0.454 17948 248 1 . 1 1 59 59 SER H H 59 8.248 8.248 8.412 -0.164 17948 249 1 . 1 1 60 60 ALA N N 60 125.620 125.620 124.907 0.713 17948 250 1 . 1 1 60 60 ALA HA H 60 4.308 4.308 4.475 -0.167 17948 251 1 . 1 1 60 60 ALA CA C 60 52.800 52.800 52.265 0.535 17948 252 1 . 1 1 60 60 ALA CB C 60 19.161 19.161 19.687 -0.526 17948 253 1 . 1 1 60 60 ALA H H 60 8.290 8.290 8.254 0.036 17948 254 1 . 1 1 61 61 GLU N N 61 119.550 119.550 119.612 -0.062 17948 255 1 . 1 1 61 61 GLU HA H 61 4.251 4.251 4.415 -0.164 17948 256 1 . 1 1 61 61 GLU CA C 61 56.600 56.600 56.204 0.396 17948 257 1 . 1 1 61 61 GLU CB C 61 30.100 30.100 30.863 -0.763 17948 258 1 . 1 1 61 61 GLU H H 61 8.206 8.206 8.408 -0.202 17948 259 1 . 1 1 62 62 LYS N N 62 122.003 122.003 120.624 1.379 17948 260 1 . 1 1 62 62 LYS HA H 62 4.300 4.300 4.461 -0.161 17948 261 1 . 1 1 62 62 LYS CA C 62 56.800 56.800 56.233 0.567 17948 262 1 . 1 1 62 62 LYS CB C 62 32.900 32.900 33.333 -0.433 17948 263 1 . 1 1 62 62 LYS H H 62 8.157 8.157 8.460 -0.303 17948 264 1 . 1 1 63 63 GLY N N 63 109.728 109.728 109.947 -0.219 17948 265 1 . 1 1 63 63 GLY CA C 63 45.300 45.300 45.058 0.242 17948 266 1 . 1 1 63 63 GLY H H 63 8.371 8.371 8.298 0.073 17948 267 1 . 1 1 64 64 LYS N N 64 120.537 120.537 120.250 0.287 17948 268 1 . 1 1 64 64 LYS HA H 64 4.340 4.340 4.324 0.016 17948 269 1 . 1 1 64 64 LYS CA C 64 56.200 56.200 56.519 -0.319 17948 270 1 . 1 1 64 64 LYS CB C 64 33.000 33.000 33.307 -0.307 17948 271 1 . 1 1 64 64 LYS H H 64 8.078 8.078 8.283 -0.205 17948 272 1 . 1 1 65 65 ASP N N 65 120.981 120.981 119.286 1.695 17948 273 1 . 1 1 65 65 ASP HA H 65 4.590 4.590 4.564 0.026 17948 274 1 . 1 1 65 65 ASP CA C 65 54.300 54.300 54.280 0.020 17948 275 1 . 1 1 65 65 ASP CB C 65 41.200 41.200 41.592 -0.392 17948 276 1 . 1 1 65 65 ASP H H 65 8.336 8.336 8.314 0.022 17948 277 1 . 1 1 66 66 ASN N N 66 119.056 119.056 118.599 0.457 17948 278 1 . 1 1 66 66 ASN HA H 66 4.691 4.691 4.640 0.051 17948 279 1 . 1 1 66 66 ASN CA C 66 53.200 53.200 53.318 -0.118 17948 280 1 . 1 1 66 66 ASN CB C 66 39.000 39.000 39.304 -0.304 17948 281 1 . 1 1 66 66 ASN H H 66 8.280 8.280 8.419 -0.139 17948 282 1 . 1 1 67 67 ALA N N 67 124.164 124.164 123.176 0.988 17948 283 1 . 1 1 67 67 ALA HA H 67 4.313 4.313 4.338 -0.025 17948 284 1 . 1 1 67 67 ALA CA C 67 52.724 52.724 52.262 0.462 17948 285 1 . 1 1 67 67 ALA CB C 67 19.171 19.171 19.745 -0.574 17948 286 1 . 1 1 67 67 ALA H H 67 8.248 8.248 8.168 0.080 17948 287 1 . 1 1 68 68 GLU N N 68 119.599 119.599 118.970 0.629 17948 288 1 . 1 1 68 68 GLU HA H 68 4.282 4.282 4.377 -0.095 17948 289 1 . 1 1 68 68 GLU CA C 68 56.812 56.812 56.089 0.723 17948 290 1 . 1 1 68 68 GLU CB C 68 30.126 30.126 30.827 -0.701 17948 291 1 . 1 1 68 68 GLU H H 68 8.295 8.295 8.517 -0.222 17948 292 1 . 1 1 69 69 GLY N N 69 109.616 109.616 108.445 1.171 17948 293 1 . 1 1 69 69 GLY CA C 69 45.440 45.440 44.963 0.477 17948 294 1 . 1 1 69 69 GLY H H 69 8.348 8.348 8.261 0.087 17948 295 1 . 1 1 70 70 GLN N N 70 119.476 119.476 118.921 0.555 17948 296 1 . 1 1 70 70 GLN HA H 70 4.388 4.388 4.275 0.113 17948 297 1 . 1 1 70 70 GLN CA C 70 55.860 55.860 56.155 -0.294 17948 298 1 . 1 1 70 70 GLN CB C 70 29.500 29.500 29.804 -0.304 17948 299 1 . 1 1 70 70 GLN H H 70 8.200 8.200 8.422 -0.222 17948 300 1 . 1 1 71 71 GLY N N 71 109.928 109.928 109.395 0.532 17948 301 1 . 1 1 71 71 GLY CA C 71 45.360 45.360 44.981 0.379 17948 302 1 . 1 1 71 71 GLY H H 71 8.438 8.438 8.291 0.147 17948 303 1 . 1 1 72 72 GLU N N 72 120.438 120.438 120.170 0.268 17948 304 1 . 1 1 72 72 GLU HA H 72 4.398 4.398 4.381 0.017 17948 305 1 . 1 1 72 72 GLU CA C 72 56.400 56.400 56.403 -0.004 17948 306 1 . 1 1 72 72 GLU CB C 72 30.700 30.700 30.269 0.431 17948 307 1 . 1 1 72 72 GLU H H 72 8.296 8.296 8.316 -0.020 17948 308 1 . 1 1 73 73 SER N N 73 117.699 117.699 115.419 2.280 17948 309 1 . 1 1 73 73 SER HA H 73 4.601 4.601 4.314 0.287 17948 310 1 . 1 1 73 73 SER CA C 73 58.011 58.011 59.419 -1.408 17948 311 1 . 1 1 73 73 SER CB C 73 64.816 64.816 63.349 1.467 17948 312 1 . 1 1 73 73 SER H H 73 8.666 8.666 8.322 0.345 17948 313 1 . 1 1 74 74 LEU N N 74 125.422 125.422 122.545 2.877 17948 314 1 . 1 1 74 74 LEU HA H 74 4.241 4.241 4.164 0.077 17948 315 1 . 1 1 74 74 LEU CA C 74 57.723 57.723 56.643 1.080 17948 316 1 . 1 1 74 74 LEU CB C 74 42.155 42.155 41.235 0.920 17948 317 1 . 1 1 74 74 LEU H H 74 8.899 8.899 8.367 0.532 17948 318 1 . 1 1 75 75 ALA N N 75 120.685 120.685 121.825 -1.140 17948 319 1 . 1 1 75 75 ALA HA H 75 4.021 4.021 3.949 0.072 17948 320 1 . 1 1 75 75 ALA CA C 75 54.800 54.800 55.019 -0.219 17948 321 1 . 1 1 75 75 ALA CB C 75 18.600 18.600 18.155 0.445 17948 322 1 . 1 1 75 75 ALA H H 75 8.389 8.389 8.207 0.182 17948 323 1 . 1 1 76 76 ASP N N 76 117.754 117.754 118.619 -0.865 17948 324 1 . 1 1 76 76 ASP HA H 76 4.434 4.434 4.307 0.127 17948 325 1 . 1 1 76 76 ASP CA C 76 56.700 56.700 57.558 -0.858 17948 326 1 . 1 1 76 76 ASP CB C 76 40.683 40.683 40.691 -0.008 17948 327 1 . 1 1 76 76 ASP H H 76 7.777 7.777 7.875 -0.098 17948 328 1 . 1 1 77 77 GLN N N 77 119.402 119.402 118.061 1.341 17948 329 1 . 1 1 77 77 GLN HA H 77 4.221 4.221 4.016 0.205 17948 330 1 . 1 1 77 77 GLN CA C 77 57.844 57.844 58.643 -0.799 17948 331 1 . 1 1 77 77 GLN CB C 77 29.602 29.602 28.470 1.132 17948 332 1 . 1 1 77 77 GLN H H 77 8.038 8.038 7.941 0.098 17948 333 1 . 1 1 78 78 ALA N N 78 121.376 121.376 122.482 -1.106 17948 334 1 . 1 1 78 78 ALA HA H 78 4.171 4.171 4.141 0.030 17948 335 1 . 1 1 78 78 ALA CA C 78 54.550 54.550 54.729 -0.179 17948 336 1 . 1 1 78 78 ALA CB C 78 18.854 18.854 18.271 0.583 17948 337 1 . 1 1 78 78 ALA H H 78 8.427 8.427 7.699 0.728 17948 338 1 . 1 1 79 79 ARG N N 79 117.905 117.905 118.928 -1.023 17948 339 1 . 1 1 79 79 ARG HA H 79 4.018 4.018 4.042 -0.024 17948 340 1 . 1 1 79 79 ARG CA C 79 59.293 59.293 58.986 0.307 17948 341 1 . 1 1 79 79 ARG CB C 79 30.159 30.159 29.767 0.392 17948 342 1 . 1 1 79 79 ARG H H 79 8.031 8.031 8.049 -0.018 17948 343 1 . 1 1 80 80 ASP N N 80 120.290 120.290 119.660 0.630 17948 344 1 . 1 1 80 80 ASP HA H 80 4.561 4.561 4.460 0.101 17948 345 1 . 1 1 80 80 ASP CA C 80 56.276 56.276 57.535 -1.259 17948 346 1 . 1 1 80 80 ASP CB C 80 40.500 40.500 41.006 -0.506 17948 347 1 . 1 1 80 80 ASP H H 80 8.126 8.126 8.109 0.017 17948 348 1 . 1 1 81 81 TYR N N 81 120.191 120.191 120.385 -0.194 17948 349 1 . 1 1 81 81 TYR HA H 81 4.340 4.340 4.309 0.031 17948 350 1 . 1 1 81 81 TYR CA C 81 61.119 61.119 60.708 0.411 17948 351 1 . 1 1 81 81 TYR CB C 81 38.500 38.500 38.684 -0.184 17948 352 1 . 1 1 81 81 TYR H H 81 8.250 8.250 7.640 0.610 17948 353 1 . 1 1 82 82 MET N N 82 117.996 117.996 119.073 -1.077 17948 354 1 . 1 1 82 82 MET HA H 82 4.222 4.222 3.988 0.234 17948 355 1 . 1 1 82 82 MET CA C 82 58.618 58.618 59.830 -1.212 17948 356 1 . 1 1 82 82 MET CB C 82 32.875 32.875 32.317 0.558 17948 357 1 . 1 1 82 82 MET H H 82 8.354 8.354 8.515 -0.161 17948 358 1 . 1 1 83 83 GLY N N 83 106.902 106.902 104.655 2.247 17948 359 1 . 1 1 83 83 GLY CA C 83 47.200 47.200 47.137 0.063 17948 360 1 . 1 1 83 83 GLY H H 83 8.365 8.365 7.851 0.514 17948 361 1 . 1 1 84 84 ALA N N 84 124.830 124.830 123.388 1.442 17948 362 1 . 1 1 84 84 ALA HA H 84 4.318 4.318 4.263 0.055 17948 363 1 . 1 1 84 84 ALA CA C 84 54.278 54.278 53.897 0.381 17948 364 1 . 1 1 84 84 ALA CB C 84 18.569 18.569 18.239 0.330 17948 365 1 . 1 1 84 84 ALA H H 84 7.950 7.950 7.298 0.652 17948 366 1 . 1 1 85 85 ALA N N 85 120.542 120.542 121.346 -0.804 17948 367 1 . 1 1 85 85 ALA HA H 85 4.037 4.037 3.937 0.100 17948 368 1 . 1 1 85 85 ALA CA C 85 54.979 54.979 54.946 0.033 17948 369 1 . 1 1 85 85 ALA CB C 85 18.500 18.500 18.261 0.239 17948 370 1 . 1 1 85 85 ALA H H 85 8.274 8.274 8.092 0.182 17948 371 1 . 1 1 86 86 LYS N N 86 116.920 116.920 118.750 -1.830 17948 372 1 . 1 1 86 86 LYS HA H 86 3.887 3.887 3.988 -0.101 17948 373 1 . 1 1 86 86 LYS CA C 86 60.060 60.060 59.072 0.988 17948 374 1 . 1 1 86 86 LYS CB C 86 32.300 32.300 31.813 0.487 17948 375 1 . 1 1 86 86 LYS H H 86 8.265 8.265 7.695 0.570 17948 376 1 . 1 1 87 87 SER N N 87 113.664 113.664 115.073 -1.408 17948 377 1 . 1 1 87 87 SER HA H 87 4.312 4.312 4.151 0.161 17948 378 1 . 1 1 87 87 SER CA C 87 61.330 61.330 61.378 -0.048 17948 379 1 . 1 1 87 87 SER CB C 87 62.900 62.900 62.859 0.041 17948 380 1 . 1 1 87 87 SER H H 87 7.926 7.926 7.721 0.205 17948 381 1 . 1 1 88 88 LYS N N 88 120.310 120.310 121.239 -0.929 17948 382 1 . 1 1 88 88 LYS HA H 88 4.386 4.386 4.067 0.319 17948 383 1 . 1 1 88 88 LYS CA C 88 57.344 57.344 59.035 -1.691 17948 384 1 . 1 1 88 88 LYS CB C 88 31.800 31.800 32.372 -0.572 17948 385 1 . 1 1 88 88 LYS H H 88 7.859 7.859 7.672 0.187 17948 386 1 . 1 1 89 89 LEU N N 89 119.648 119.648 121.566 -1.918 17948 387 1 . 1 1 89 89 LEU HA H 89 4.101 4.101 3.982 0.119 17948 388 1 . 1 1 89 89 LEU CA C 89 58.067 58.067 57.756 0.311 17948 389 1 . 1 1 89 89 LEU CB C 89 41.500 41.500 40.974 0.526 17948 390 1 . 1 1 89 89 LEU H H 89 8.158 8.158 7.898 0.260 17948 391 1 . 1 1 90 90 ASN N N 90 117.422 117.422 117.217 0.205 17948 392 1 . 1 1 90 90 ASN HA H 90 4.398 4.398 4.356 0.042 17948 393 1 . 1 1 90 90 ASN CA C 90 57.059 57.059 56.650 0.409 17948 394 1 . 1 1 90 90 ASN CB C 90 38.500 38.500 38.251 0.249 17948 395 1 . 1 1 90 90 ASN H H 90 8.240 8.240 7.958 0.282 17948 396 1 . 1 1 91 91 ASP N N 91 119.945 119.945 119.030 0.915 17948 397 1 . 1 1 91 91 ASP HA H 91 4.441 4.441 4.441 0.000 17948 398 1 . 1 1 91 91 ASP CA C 91 57.344 57.344 57.628 -0.284 17948 399 1 . 1 1 91 91 ASP CB C 91 40.300 40.300 40.719 -0.419 17948 400 1 . 1 1 91 91 ASP H H 91 8.111 8.111 7.592 0.519 17948 401 1 . 1 1 92 92 ALA N N 92 123.226 123.226 122.338 0.888 17948 402 1 . 1 1 92 92 ALA HA H 92 4.174 4.174 4.182 -0.008 17948 403 1 . 1 1 92 92 ALA CA C 92 55.373 55.373 54.832 0.541 17948 404 1 . 1 1 92 92 ALA CB C 92 18.300 18.300 18.473 -0.173 17948 405 1 . 1 1 92 92 ALA H H 92 8.240 8.240 7.463 0.777 17948 406 1 . 1 1 93 93 VAL N N 93 117.940 117.940 119.433 -1.493 17948 407 1 . 1 1 93 93 VAL HA H 93 3.599 3.599 3.552 0.047 17948 408 1 . 1 1 93 93 VAL CA C 93 66.893 66.893 66.943 -0.050 17948 409 1 . 1 1 93 93 VAL CB C 93 31.613 31.613 31.269 0.344 17948 410 1 . 1 1 93 93 VAL H H 93 8.410 8.410 8.158 0.252 17948 411 1 . 1 1 94 94 GLU N N 94 120.610 120.610 119.142 1.468 17948 412 1 . 1 1 94 94 GLU HA H 94 4.050 4.050 3.940 0.110 17948 413 1 . 1 1 94 94 GLU CA C 94 59.600 59.600 59.545 0.055 17948 414 1 . 1 1 94 94 GLU CB C 94 29.600 29.600 29.526 0.074 17948 415 1 . 1 1 94 94 GLU H H 94 8.289 8.289 7.911 0.378 17948 416 1 . 1 1 95 95 TYR N N 95 120.241 120.241 119.066 1.175 17948 417 1 . 1 1 95 95 TYR HA H 95 4.270 4.270 4.218 0.052 17948 418 1 . 1 1 95 95 TYR CA C 95 61.300 61.300 61.545 -0.245 17948 419 1 . 1 1 95 95 TYR CB C 95 38.700 38.700 38.769 -0.069 17948 420 1 . 1 1 95 95 TYR H H 95 8.186 8.186 7.414 0.772 17948 421 1 . 1 1 96 96 VAL N N 96 116.942 116.942 118.446 -1.504 17948 422 1 . 1 1 96 96 VAL HA H 96 3.546 3.546 3.566 -0.019 17948 423 1 . 1 1 96 96 VAL CA C 96 66.070 66.070 66.474 -0.404 17948 424 1 . 1 1 96 96 VAL CB C 96 31.745 31.745 31.476 0.269 17948 425 1 . 1 1 96 96 VAL H H 96 8.394 8.394 8.228 0.166 17948 426 1 . 1 1 97 97 SER N N 97 113.924 113.924 115.098 -1.174 17948 427 1 . 1 1 97 97 SER HA H 97 4.145 4.145 4.214 -0.069 17948 428 1 . 1 1 97 97 SER CA C 97 61.393 61.393 61.361 0.032 17948 429 1 . 1 1 97 97 SER CB C 97 63.415 63.415 62.699 0.716 17948 430 1 . 1 1 97 97 SER H H 97 8.433 8.433 8.630 -0.197 17948 431 1 . 1 1 98 98 GLY N N 98 107.509 107.509 108.621 -1.112 17948 432 1 . 1 1 98 98 GLY CA C 98 46.298 46.298 46.095 0.203 17948 433 1 . 1 1 98 98 GLY H H 98 7.899 7.899 7.592 0.307 17948 434 1 . 1 1 99 99 ARG N N 99 119.471 119.471 120.111 -0.640 17948 435 1 . 1 1 99 99 ARG HA H 99 4.268 4.268 4.274 -0.006 17948 436 1 . 1 1 99 99 ARG CA C 99 56.527 56.527 56.594 -0.067 17948 437 1 . 1 1 99 99 ARG CB C 99 30.300 30.300 30.360 -0.060 17948 438 1 . 1 1 99 99 ARG H H 99 7.696 7.696 7.650 0.046 17948 439 1 . 1 1 100 100 VAL N N 100 117.316 117.316 119.376 -2.060 17948 440 1 . 1 1 100 100 VAL HA H 100 3.960 3.960 3.820 0.140 17948 441 1 . 1 1 100 100 VAL CA C 100 63.400 63.400 63.673 -0.273 17948 442 1 . 1 1 100 100 VAL CB C 100 32.320 32.320 31.413 0.907 17948 443 1 . 1 1 100 100 VAL H H 100 7.906 7.906 7.344 0.562 17948 444 1 . 1 1 101 101 HIS N N 101 119.155 119.155 119.003 0.152 17948 445 1 . 1 1 101 101 HIS HA H 101 4.701 4.701 4.348 0.353 17948 446 1 . 1 1 101 101 HIS CA C 101 56.200 56.200 56.794 -0.594 17948 447 1 . 1 1 101 101 HIS CB C 101 30.048 30.048 29.831 0.217 17948 448 1 . 1 1 101 101 HIS H H 101 8.130 8.130 7.759 0.371 17948 449 1 . 1 1 102 102 GLY N N 102 109.145 109.145 109.553 -0.408 17948 450 1 . 1 1 102 102 GLY CA C 102 45.333 45.333 45.323 0.010 17948 451 1 . 1 1 102 102 GLY H H 102 8.086 8.086 8.256 -0.170 17948 452 1 . 1 1 103 103 GLU N N 103 119.345 119.345 120.272 -0.927 17948 453 1 . 1 1 103 103 GLU HA H 103 4.330 4.330 4.349 -0.019 17948 454 1 . 1 1 103 103 GLU CA C 103 62.300 62.300 56.432 5.868 17948 455 1 . 1 1 103 103 GLU CB C 103 32.754 32.754 31.022 1.732 17948 456 1 . 1 1 103 103 GLU H H 103 7.932 7.932 8.256 -0.324 17948 457 1 . 1 1 104 104 GLU N N 104 122.105 122.105 120.579 1.526 17948 458 1 . 1 1 104 104 GLU HA H 104 4.272 4.272 4.444 -0.172 17948 459 1 . 1 1 104 104 GLU CA C 104 56.232 56.232 56.492 -0.260 17948 460 1 . 1 1 104 104 GLU CB C 104 30.500 30.500 31.032 -0.532 17948 461 1 . 1 1 104 104 GLU H H 104 8.325 8.325 8.448 -0.123 17948 462 1 . 1 1 105 105 ASP N N 105 124.188 124.188 121.312 2.876 17948 463 1 . 1 1 105 105 ASP HA H 105 4.610 4.610 4.825 -0.215 17948 464 1 . 1 1 105 105 ASP CA C 105 54.520 54.520 53.074 1.447 17948 465 1 . 1 1 105 105 ASP CB C 105 40.700 40.700 41.090 -0.390 17948 466 1 . 1 1 105 105 ASP H H 105 8.077 8.077 8.299 -0.222 17948 467 1 . 1 1 106 106 PRO HA H 106 4.484 4.484 4.537 -0.053 17948 468 1 . 1 1 106 106 PRO CA C 106 63.824 63.824 63.200 0.624 17948 469 1 . 1 1 106 106 PRO CB C 106 32.200 32.200 32.239 -0.039 17948 470 1 . 1 1 107 107 THR N N 107 111.950 111.950 112.653 -0.703 17948 471 1 . 1 1 107 107 THR HA H 107 4.273 4.273 4.353 -0.080 17948 472 1 . 1 1 107 107 THR CA C 107 62.700 62.700 62.176 0.524 17948 473 1 . 1 1 107 107 THR CB C 107 69.400 69.400 69.622 -0.222 17948 474 1 . 1 1 107 107 THR H H 107 8.339 8.339 8.092 0.247 17948 475 1 . 1 1 108 108 LYS N N 108 123.349 123.349 122.536 0.813 17948 476 1 . 1 1 108 108 LYS HA H 108 4.357 4.357 4.259 0.098 17948 477 1 . 1 1 108 108 LYS CA C 108 56.000 56.000 56.612 -0.612 17948 478 1 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.963 -0.163 17948 479 1 . 1 1 108 108 LYS H H 108 7.727 7.727 8.553 -0.826 17948 stop_ save_