data_17839 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17839 _Entry.PDB_ID 2LHC 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 17839 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR N N 2 128.640 128.640 114.483 14.157 17839 2 1 1 . 1 1 2 2 THR HA H 2 4.125 4.125 4.005 0.120 17839 3 1 1 . 1 1 2 2 THR C C 2 173.743 173.743 173.985 -0.242 17839 4 1 1 . 1 1 2 2 THR CA C 2 61.651 61.651 62.803 -1.152 17839 5 1 1 . 1 1 2 2 THR CB C 2 69.626 69.626 68.964 0.662 17839 6 1 1 . 1 1 2 2 THR H H 2 7.994 7.994 8.179 -0.185 17839 7 1 1 . 1 1 3 3 TYR N N 3 124.112 124.112 121.192 2.920 17839 8 1 1 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.415 -0.233 17839 9 1 1 . 1 1 3 3 TYR C C 3 175.675 175.675 176.887 -1.212 17839 10 1 1 . 1 1 3 3 TYR CA C 3 58.300 58.300 60.261 -1.961 17839 11 1 1 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.688 -0.170 17839 12 1 1 . 1 1 3 3 TYR H H 3 8.325 8.325 8.438 -0.113 17839 13 1 1 . 1 1 4 4 LYS N N 4 122.769 122.769 120.432 2.337 17839 14 1 1 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.473 -0.590 17839 15 1 1 . 1 1 4 4 LYS C C 4 175.923 175.923 175.158 0.765 17839 16 1 1 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.496 0.927 17839 17 1 1 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.656 -0.889 17839 18 1 1 . 1 1 4 4 LYS H H 4 8.027 8.027 8.120 -0.093 17839 19 1 1 . 1 1 5 5 LEU N N 5 122.314 122.314 120.460 1.854 17839 20 1 1 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.675 -0.615 17839 21 1 1 . 1 1 5 5 LEU C C 5 177.167 177.167 176.261 0.906 17839 22 1 1 . 1 1 5 5 LEU CA C 5 55.289 55.289 54.679 0.610 17839 23 1 1 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.454 -0.439 17839 24 1 1 . 1 1 5 5 LEU H H 5 7.919 7.919 8.280 -0.361 17839 25 1 1 . 1 1 6 6 ILE N N 6 122.789 122.789 126.076 -3.287 17839 26 1 1 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.353 -0.488 17839 27 1 1 . 1 1 6 6 ILE C C 6 176.231 176.231 175.144 1.087 17839 28 1 1 . 1 1 6 6 ILE CA C 6 61.390 61.390 60.442 0.948 17839 29 1 1 . 1 1 6 6 ILE CB C 6 37.859 37.859 39.595 -1.736 17839 30 1 1 . 1 1 6 6 ILE H H 6 7.998 7.998 8.417 -0.419 17839 31 1 1 . 1 1 7 7 LEU N N 7 125.831 125.831 126.631 -0.800 17839 32 1 1 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.833 -0.653 17839 33 1 1 . 1 1 7 7 LEU C C 7 177.079 177.079 175.732 1.347 17839 34 1 1 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.446 0.611 17839 35 1 1 . 1 1 7 7 LEU CB C 7 42.718 42.718 43.121 -0.403 17839 36 1 1 . 1 1 7 7 LEU H H 7 8.099 8.099 8.330 -0.231 17839 37 1 1 . 1 1 8 8 ASN N N 8 118.052 118.052 120.766 -2.714 17839 38 1 1 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.937 -0.463 17839 39 1 1 . 1 1 8 8 ASN C C 8 175.250 175.250 175.879 -0.629 17839 40 1 1 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.722 -0.239 17839 41 1 1 . 1 1 8 8 ASN CB C 8 38.877 38.877 42.127 -3.250 17839 42 1 1 . 1 1 8 8 ASN H H 8 8.058 8.058 8.326 -0.268 17839 43 1 1 . 1 1 9 9 LEU N N 9 121.908 121.908 121.035 0.873 17839 44 1 1 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.256 -0.604 17839 45 1 1 . 1 1 9 9 LEU C C 9 177.065 177.065 178.429 -1.364 17839 46 1 1 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.819 0.705 17839 47 1 1 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.981 -0.031 17839 48 1 1 . 1 1 9 9 LEU H H 9 8.251 8.251 8.633 -0.382 17839 49 1 1 . 1 1 10 10 LYS N N 10 118.870 118.870 119.991 -1.121 17839 50 1 1 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.857 -0.197 17839 51 1 1 . 1 1 10 10 LYS C C 10 178.689 178.689 178.414 0.275 17839 52 1 1 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.070 -0.270 17839 53 1 1 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.500 0.769 17839 54 1 1 . 1 1 10 10 LYS H H 10 7.940 7.940 8.531 -0.591 17839 55 1 1 . 1 1 11 11 GLN N N 11 117.959 117.959 117.298 0.661 17839 56 1 1 . 1 1 11 11 GLN HA H 11 3.897 3.897 3.999 -0.102 17839 57 1 1 . 1 1 11 11 GLN C C 11 179.084 179.084 178.316 0.768 17839 58 1 1 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.688 0.497 17839 59 1 1 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.199 1.272 17839 60 1 1 . 1 1 11 11 GLN H H 11 7.549 7.549 7.887 -0.338 17839 61 1 1 . 1 1 12 12 ALA N N 12 122.975 122.975 121.901 1.074 17839 62 1 1 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.526 0.377 17839 63 1 1 . 1 1 12 12 ALA C C 12 179.596 179.596 178.540 1.056 17839 64 1 1 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.490 0.933 17839 65 1 1 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.148 0.068 17839 66 1 1 . 1 1 12 12 ALA H H 12 8.363 8.363 8.674 -0.311 17839 67 1 1 . 1 1 13 13 LYS N N 13 116.930 116.930 120.239 -3.309 17839 68 1 1 . 1 1 13 13 LYS HA H 13 3.337 3.337 3.991 -0.654 17839 69 1 1 . 1 1 13 13 LYS C C 13 177.621 177.621 178.152 -0.531 17839 70 1 1 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.244 1.443 17839 71 1 1 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.497 1.386 17839 72 1 1 . 1 1 13 13 LYS H H 13 8.097 8.097 7.427 0.670 17839 73 1 1 . 1 1 14 14 GLU N N 14 116.977 116.977 119.383 -2.406 17839 74 1 1 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.060 -0.346 17839 75 1 1 . 1 1 14 14 GLU C C 14 180.065 180.065 178.274 1.791 17839 76 1 1 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.350 0.234 17839 77 1 1 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.574 -0.385 17839 78 1 1 . 1 1 14 14 GLU H H 14 7.582 7.582 8.238 -0.656 17839 79 1 1 . 1 1 15 15 GLU N N 15 119.464 119.464 120.114 -0.650 17839 80 1 1 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.785 0.124 17839 81 1 1 . 1 1 15 15 GLU C C 15 178.367 178.367 178.733 -0.366 17839 82 1 1 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.106 -0.507 17839 83 1 1 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.498 0.537 17839 84 1 1 . 1 1 15 15 GLU H H 15 8.313 8.313 7.356 0.957 17839 85 1 1 . 1 1 16 16 ALA N N 16 122.073 122.073 121.756 0.317 17839 86 1 1 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.039 -0.261 17839 87 1 1 . 1 1 16 16 ALA C C 16 179.245 179.245 179.402 -0.157 17839 88 1 1 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.271 0.061 17839 89 1 1 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.526 0.230 17839 90 1 1 . 1 1 16 16 ALA H H 16 8.427 8.427 7.592 0.835 17839 91 1 1 . 1 1 17 17 ILE N N 17 117.151 117.151 119.514 -2.363 17839 92 1 1 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.674 -0.575 17839 93 1 1 . 1 1 17 17 ILE C C 17 177.196 177.196 178.289 -1.093 17839 94 1 1 . 1 1 17 17 ILE CA C 17 65.069 65.069 64.283 0.786 17839 95 1 1 . 1 1 17 17 ILE CB C 17 36.634 36.634 36.869 -0.235 17839 96 1 1 . 1 1 17 17 ILE H H 17 8.177 8.177 7.707 0.470 17839 97 1 1 . 1 1 18 18 LYS N N 18 119.317 119.317 119.419 -0.102 17839 98 1 1 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.875 -0.206 17839 99 1 1 . 1 1 18 18 LYS C C 18 178.279 178.279 179.126 -0.847 17839 100 1 1 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.310 -0.335 17839 101 1 1 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.360 -0.345 17839 102 1 1 . 1 1 18 18 LYS H H 18 7.525 7.525 8.509 -0.984 17839 103 1 1 . 1 1 19 19 GLU N N 19 119.267 119.267 119.310 -0.043 17839 104 1 1 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.061 -0.136 17839 105 1 1 . 1 1 19 19 GLU C C 19 178.104 178.104 179.291 -1.187 17839 106 1 1 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.050 -0.145 17839 107 1 1 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.547 -1.016 17839 108 1 1 . 1 1 19 19 GLU H H 19 8.226 8.226 7.636 0.590 17839 109 1 1 . 1 1 20 20 LEU N N 20 120.447 120.447 120.481 -0.034 17839 110 1 1 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.178 -0.255 17839 111 1 1 . 1 1 20 20 LEU C C 20 179.991 179.991 179.606 0.385 17839 112 1 1 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.185 -0.083 17839 113 1 1 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.357 -1.532 17839 114 1 1 . 1 1 20 20 LEU H H 20 8.018 8.018 8.553 -0.535 17839 115 1 1 . 1 1 21 21 VAL N N 21 124.479 124.479 118.639 5.840 17839 116 1 1 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.704 0.114 17839 117 1 1 . 1 1 21 21 VAL C C 21 177.431 177.431 177.006 0.425 17839 118 1 1 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.759 0.620 17839 119 1 1 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.570 0.417 17839 120 1 1 . 1 1 21 21 VAL H H 21 9.048 9.048 8.163 0.885 17839 121 1 1 . 1 1 22 22 ASP N N 22 121.941 121.941 119.058 2.883 17839 122 1 1 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.524 -0.580 17839 123 1 1 . 1 1 22 22 ASP C C 22 179.713 179.713 175.679 4.034 17839 124 1 1 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.580 1.536 17839 125 1 1 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.545 -2.045 17839 126 1 1 . 1 1 22 22 ASP H H 22 8.077 8.077 7.709 0.368 17839 127 1 1 . 1 1 23 23 ALA N N 23 116.831 116.831 120.172 -3.341 17839 128 1 1 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.541 -0.361 17839 129 1 1 . 1 1 23 23 ALA C C 23 177.855 177.855 176.234 1.621 17839 130 1 1 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.040 1.261 17839 131 1 1 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.612 -2.622 17839 132 1 1 . 1 1 23 23 ALA H H 23 6.897 6.897 7.105 -0.208 17839 133 1 1 . 1 1 24 24 GLY N N 24 107.830 107.830 108.686 -0.856 17839 134 1 1 . 1 1 24 24 GLY C C 24 174.665 174.665 173.964 0.701 17839 135 1 1 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.998 -0.187 17839 136 1 1 . 1 1 24 24 GLY H H 24 8.002 8.002 8.493 -0.491 17839 137 1 1 . 1 1 25 25 THR N N 25 117.914 117.914 117.844 0.070 17839 138 1 1 . 1 1 25 25 THR HA H 25 3.818 3.818 4.526 -0.708 17839 139 1 1 . 1 1 25 25 THR C C 25 173.187 173.187 173.026 0.161 17839 140 1 1 . 1 1 25 25 THR CA C 25 64.001 64.001 60.782 3.219 17839 141 1 1 . 1 1 25 25 THR CB C 25 69.674 69.674 71.386 -1.712 17839 142 1 1 . 1 1 25 25 THR H H 25 7.784 7.784 8.128 -0.344 17839 143 1 1 . 1 1 26 26 ALA N N 26 128.480 128.480 123.760 4.720 17839 144 1 1 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.818 -0.821 17839 145 1 1 . 1 1 26 26 ALA C C 26 177.884 177.884 177.423 0.461 17839 146 1 1 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.907 2.202 17839 147 1 1 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.680 -0.812 17839 148 1 1 . 1 1 26 26 ALA H H 26 8.749 8.749 8.891 -0.142 17839 149 1 1 . 1 1 27 27 GLU N N 27 120.909 120.909 126.010 -5.101 17839 150 1 1 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.261 -1.022 17839 151 1 1 . 1 1 27 27 GLU C C 27 178.631 178.631 176.648 1.983 17839 152 1 1 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.199 -1.361 17839 153 1 1 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.285 0.633 17839 154 1 1 . 1 1 27 27 GLU H H 27 8.150 8.150 8.986 -0.836 17839 155 1 1 . 1 1 28 28 LYS N N 28 117.447 117.447 117.260 0.187 17839 156 1 1 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.747 0.042 17839 157 1 1 . 1 1 28 28 LYS C C 28 177.211 177.211 178.815 -1.604 17839 158 1 1 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.042 0.048 17839 159 1 1 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.925 0.071 17839 160 1 1 . 1 1 28 28 LYS H H 28 7.989 7.989 7.980 0.009 17839 161 1 1 . 1 1 29 29 TYR N N 29 116.462 116.462 118.897 -2.435 17839 162 1 1 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.141 0.246 17839 163 1 1 . 1 1 29 29 TYR C C 29 177.313 177.313 177.821 -0.508 17839 164 1 1 . 1 1 29 29 TYR CA C 29 59.358 59.358 61.098 -1.740 17839 165 1 1 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.290 1.166 17839 166 1 1 . 1 1 29 29 TYR H H 29 7.273 7.273 8.078 -0.805 17839 167 1 1 . 1 1 30 30 PHE N N 30 119.334 119.334 117.188 2.146 17839 168 1 1 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.303 -0.223 17839 169 1 1 . 1 1 30 30 PHE C C 30 178.762 178.762 177.348 1.414 17839 170 1 1 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.900 -0.328 17839 171 1 1 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.677 4.444 17839 172 1 1 . 1 1 30 30 PHE H H 30 7.991 7.991 7.475 0.516 17839 173 1 1 . 1 1 31 31 LYS N N 31 118.612 118.612 120.335 -1.723 17839 174 1 1 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.334 -0.430 17839 175 1 1 . 1 1 31 31 LYS C C 31 177.694 177.694 178.990 -1.296 17839 176 1 1 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.983 -0.363 17839 177 1 1 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.484 -0.932 17839 178 1 1 . 1 1 31 31 LYS H H 31 7.916 7.916 7.336 0.580 17839 179 1 1 . 1 1 32 32 LEU N N 32 117.737 117.737 120.309 -2.572 17839 180 1 1 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.077 -0.312 17839 181 1 1 . 1 1 32 32 LEU C C 32 177.021 177.021 179.001 -1.980 17839 182 1 1 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.801 -0.460 17839 183 1 1 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.536 -1.119 17839 184 1 1 . 1 1 32 32 LEU H H 32 7.316 7.316 7.604 -0.288 17839 185 1 1 . 1 1 33 33 ILE N N 33 119.064 119.064 115.571 3.493 17839 186 1 1 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.854 -0.202 17839 187 1 1 . 1 1 33 33 ILE C C 33 177.489 177.489 177.980 -0.491 17839 188 1 1 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.330 -2.545 17839 189 1 1 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.210 -1.508 17839 190 1 1 . 1 1 33 33 ILE H H 33 7.620 7.620 8.537 -0.917 17839 191 1 1 . 1 1 34 34 ALA N N 34 119.319 119.319 121.710 -2.391 17839 192 1 1 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.020 -0.240 17839 193 1 1 . 1 1 34 34 ALA C C 34 179.128 179.128 178.485 0.643 17839 194 1 1 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.650 0.202 17839 195 1 1 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.341 -0.091 17839 196 1 1 . 1 1 34 34 ALA H H 34 7.594 7.594 7.836 -0.242 17839 197 1 1 . 1 1 35 35 ASN N N 35 112.212 112.212 116.008 -3.796 17839 198 1 1 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.633 -0.140 17839 199 1 1 . 1 1 35 35 ASN C C 35 175.265 175.265 175.053 0.212 17839 200 1 1 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.935 -1.339 17839 201 1 1 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.224 -0.317 17839 202 1 1 . 1 1 35 35 ASN H H 35 7.264 7.264 7.643 -0.379 17839 203 1 1 . 1 1 36 36 ALA N N 36 124.435 124.435 122.479 1.956 17839 204 1 1 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.293 -0.284 17839 205 1 1 . 1 1 36 36 ALA C C 36 177.826 177.826 177.302 0.524 17839 206 1 1 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.612 0.525 17839 207 1 1 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.448 0.069 17839 208 1 1 . 1 1 36 36 ALA H H 36 7.270 7.270 7.534 -0.264 17839 209 1 1 . 1 1 37 37 LYS N N 37 116.671 116.671 120.008 -3.337 17839 210 1 1 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.259 -0.086 17839 211 1 1 . 1 1 37 37 LYS C C 37 176.772 176.772 176.385 0.387 17839 212 1 1 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.150 -0.613 17839 213 1 1 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.482 2.417 17839 214 1 1 . 1 1 37 37 LYS H H 37 8.682 8.682 8.559 0.123 17839 215 1 1 . 1 1 38 38 THR N N 38 106.220 106.220 111.817 -5.597 17839 216 1 1 . 1 1 38 38 THR HA H 38 4.541 4.541 4.477 0.064 17839 217 1 1 . 1 1 38 38 THR C C 38 173.816 173.816 175.655 -1.839 17839 218 1 1 . 1 1 38 38 THR CA C 38 58.209 58.209 59.969 -1.760 17839 219 1 1 . 1 1 38 38 THR CB C 38 72.726 72.726 69.751 2.975 17839 220 1 1 . 1 1 38 38 THR H H 38 7.232 7.232 7.535 -0.303 17839 221 1 1 . 1 1 39 39 VAL N N 39 122.896 122.896 123.228 -0.332 17839 222 1 1 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.951 -1.073 17839 223 1 1 . 1 1 39 39 VAL C C 39 176.655 176.655 177.388 -0.733 17839 224 1 1 . 1 1 39 39 VAL CA C 39 67.118 67.118 64.912 2.206 17839 225 1 1 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.259 0.001 17839 226 1 1 . 1 1 39 39 VAL H H 39 8.835 8.835 8.713 0.122 17839 227 1 1 . 1 1 40 40 GLU N N 40 117.945 117.945 120.661 -2.716 17839 228 1 1 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.131 -0.349 17839 229 1 1 . 1 1 40 40 GLU C C 40 179.362 179.362 179.085 0.277 17839 230 1 1 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.951 -0.027 17839 231 1 1 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.761 -0.505 17839 232 1 1 . 1 1 40 40 GLU H H 40 8.735 8.735 9.053 -0.318 17839 233 1 1 . 1 1 41 41 GLY N N 41 108.576 108.576 106.512 2.064 17839 234 1 1 . 1 1 41 41 GLY C C 41 176.275 176.275 175.579 0.696 17839 235 1 1 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.609 -0.304 17839 236 1 1 . 1 1 41 41 GLY H H 41 8.019 8.019 7.718 0.301 17839 237 1 1 . 1 1 42 42 VAL N N 42 122.823 122.823 122.496 0.327 17839 238 1 1 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.884 -0.141 17839 239 1 1 . 1 1 42 42 VAL C C 42 177.211 177.211 177.515 -0.304 17839 240 1 1 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.186 1.131 17839 241 1 1 . 1 1 42 42 VAL CB C 42 30.233 30.233 32.078 -1.845 17839 242 1 1 . 1 1 42 42 VAL H H 42 7.705 7.705 7.727 -0.022 17839 243 1 1 . 1 1 43 43 TRP N N 43 119.439 119.439 118.781 0.658 17839 244 1 1 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.417 -0.105 17839 245 1 1 . 1 1 43 43 TRP C C 43 178.879 178.879 178.617 0.262 17839 246 1 1 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.609 -2.376 17839 247 1 1 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.312 -0.509 17839 248 1 1 . 1 1 43 43 TRP H H 43 7.497 7.497 9.089 -1.592 17839 249 1 1 . 1 1 44 44 THR N N 44 115.130 115.130 115.728 -0.598 17839 250 1 1 . 1 1 44 44 THR HA H 44 3.877 3.877 4.519 -0.642 17839 251 1 1 . 1 1 44 44 THR C C 44 177.299 177.299 176.634 0.665 17839 252 1 1 . 1 1 44 44 THR CA C 44 66.178 66.178 64.835 1.343 17839 253 1 1 . 1 1 44 44 THR CB C 44 68.938 68.938 68.620 0.318 17839 254 1 1 . 1 1 44 44 THR H H 44 8.278 8.278 7.688 0.590 17839 255 1 1 . 1 1 45 45 LEU N N 45 123.159 123.159 121.781 1.378 17839 256 1 1 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.994 -0.055 17839 257 1 1 . 1 1 45 45 LEU C C 45 178.235 178.235 178.400 -0.165 17839 258 1 1 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.795 -1.148 17839 259 1 1 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.903 0.405 17839 260 1 1 . 1 1 45 45 LEU H H 45 7.835 7.835 7.757 0.078 17839 261 1 1 . 1 1 46 46 LYS N N 46 119.348 119.348 118.879 0.469 17839 262 1 1 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.934 -0.414 17839 263 1 1 . 1 1 46 46 LYS C C 46 177.518 177.518 177.859 -0.341 17839 264 1 1 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.429 1.129 17839 265 1 1 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.306 -1.081 17839 266 1 1 . 1 1 46 46 LYS H H 46 8.521 8.521 8.150 0.371 17839 267 1 1 . 1 1 47 47 ASP N N 47 117.390 117.390 118.240 -0.850 17839 268 1 1 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.384 -0.648 17839 269 1 1 . 1 1 47 47 ASP C C 47 178.689 178.689 178.350 0.339 17839 270 1 1 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.798 -0.659 17839 271 1 1 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.175 -0.379 17839 272 1 1 . 1 1 47 47 ASP H H 47 7.450 7.450 7.727 -0.277 17839 273 1 1 . 1 1 48 48 GLU N N 48 121.902 121.902 118.965 2.937 17839 274 1 1 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.082 -0.322 17839 275 1 1 . 1 1 48 48 GLU C C 48 179.201 179.201 178.536 0.665 17839 276 1 1 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.162 -0.090 17839 277 1 1 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.562 0.098 17839 278 1 1 . 1 1 48 48 GLU H H 48 7.732 7.732 7.519 0.213 17839 279 1 1 . 1 1 49 49 ILE N N 49 120.605 120.605 116.904 3.701 17839 280 1 1 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.168 -0.588 17839 281 1 1 . 1 1 49 49 ILE C C 49 178.704 178.704 177.749 0.955 17839 282 1 1 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.224 0.777 17839 283 1 1 . 1 1 49 49 ILE CB C 49 37.963 37.963 36.983 0.980 17839 284 1 1 . 1 1 49 49 ILE H H 49 8.551 8.551 7.165 1.386 17839 285 1 1 . 1 1 50 50 LYS N N 50 119.061 119.061 119.080 -0.019 17839 286 1 1 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.210 -0.501 17839 287 1 1 . 1 1 50 50 LYS C C 50 177.753 177.753 177.698 0.055 17839 288 1 1 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.528 1.136 17839 289 1 1 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.293 -1.140 17839 290 1 1 . 1 1 50 50 LYS H H 50 7.567 7.567 7.665 -0.098 17839 291 1 1 . 1 1 51 51 THR N N 51 109.727 109.727 113.664 -3.937 17839 292 1 1 . 1 1 51 51 THR HA H 51 4.148 4.148 4.378 -0.230 17839 293 1 1 . 1 1 51 51 THR C C 51 175.440 175.440 175.161 0.279 17839 294 1 1 . 1 1 51 51 THR CA C 51 63.347 63.347 64.566 -1.218 17839 295 1 1 . 1 1 51 51 THR CB C 51 69.707 69.707 70.505 -0.798 17839 296 1 1 . 1 1 51 51 THR H H 51 7.426 7.426 7.541 -0.115 17839 297 1 1 . 1 1 52 52 PHE N N 52 120.966 120.966 119.238 1.728 17839 298 1 1 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.076 0.432 17839 299 1 1 . 1 1 52 52 PHE C C 52 176.816 176.816 175.838 0.978 17839 300 1 1 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.643 -2.683 17839 301 1 1 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.417 0.106 17839 302 1 1 . 1 1 52 52 PHE H H 52 7.446 7.446 8.662 -1.216 17839 303 1 1 . 1 1 53 53 THR N N 53 114.357 114.357 111.079 3.278 17839 304 1 1 . 1 1 53 53 THR HA H 53 4.223 4.223 3.852 0.371 17839 305 1 1 . 1 1 53 53 THR C C 53 180.987 180.987 174.328 6.659 17839 306 1 1 . 1 1 53 53 THR CA C 53 58.214 58.214 64.651 -6.437 17839 307 1 1 . 1 1 53 53 THR CB C 53 70.157 70.157 68.843 1.314 17839 308 1 1 . 1 1 53 53 THR H H 53 7.953 7.953 8.361 -0.408 17839 309 1 1 . 1 1 54 54 VAL N N 54 122.097 122.097 121.296 0.801 17839 310 1 1 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.390 -0.288 17839 311 1 1 . 1 1 54 54 VAL C C 54 179.509 179.509 175.402 4.107 17839 312 1 1 . 1 1 54 54 VAL CA C 54 62.553 62.553 60.403 2.150 17839 313 1 1 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.864 -0.142 17839 314 1 1 . 1 1 54 54 VAL H H 54 8.045 8.045 8.074 -0.029 17839 315 1 1 . 1 1 55 55 THR N N 55 118.590 118.590 118.268 0.322 17839 316 1 1 . 1 1 55 55 THR HA H 55 4.235 4.235 4.637 -0.402 17839 317 1 1 . 1 1 55 55 THR CA C 55 61.732 61.732 61.536 0.196 17839 318 1 1 . 1 1 55 55 THR CB C 55 69.869 69.869 70.068 -0.199 17839 319 1 1 . 1 1 55 55 THR H H 55 8.209 8.209 8.207 0.002 17839 320 1 2 . 1 1 2 2 THR N N 2 128.640 128.640 117.089 11.551 17839 321 1 2 . 1 1 2 2 THR HA H 2 4.125 4.125 4.067 0.058 17839 322 1 2 . 1 1 2 2 THR C C 2 173.743 173.743 172.812 0.931 17839 323 1 2 . 1 1 2 2 THR CA C 2 61.651 61.651 62.928 -1.277 17839 324 1 2 . 1 1 2 2 THR CB C 2 69.626 69.626 68.146 1.480 17839 325 1 2 . 1 1 2 2 THR H H 2 7.994 7.994 8.416 -0.422 17839 326 1 2 . 1 1 3 3 TYR N N 3 124.112 124.112 121.726 2.386 17839 327 1 2 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.559 -0.377 17839 328 1 2 . 1 1 3 3 TYR C C 3 175.675 175.675 174.036 1.639 17839 329 1 2 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.492 0.807 17839 330 1 2 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.676 -1.158 17839 331 1 2 . 1 1 3 3 TYR H H 3 8.325 8.325 7.865 0.460 17839 332 1 2 . 1 1 4 4 LYS N N 4 122.769 122.769 125.576 -2.807 17839 333 1 2 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.695 -0.812 17839 334 1 2 . 1 1 4 4 LYS C C 4 175.923 175.923 175.653 0.270 17839 335 1 2 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.414 1.008 17839 336 1 2 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.972 -1.205 17839 337 1 2 . 1 1 4 4 LYS H H 4 8.027 8.027 8.121 -0.094 17839 338 1 2 . 1 1 5 5 LEU N N 5 122.314 122.314 122.118 0.196 17839 339 1 2 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.564 -0.504 17839 340 1 2 . 1 1 5 5 LEU C C 5 177.167 177.167 176.751 0.416 17839 341 1 2 . 1 1 5 5 LEU CA C 5 55.289 55.289 54.916 0.373 17839 342 1 2 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.475 -0.460 17839 343 1 2 . 1 1 5 5 LEU H H 5 7.919 7.919 8.424 -0.505 17839 344 1 2 . 1 1 6 6 ILE N N 6 122.789 122.789 126.183 -3.394 17839 345 1 2 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.247 -0.382 17839 346 1 2 . 1 1 6 6 ILE C C 6 176.231 176.231 175.351 0.880 17839 347 1 2 . 1 1 6 6 ILE CA C 6 61.390 61.390 60.685 0.705 17839 348 1 2 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.766 -0.907 17839 349 1 2 . 1 1 6 6 ILE H H 6 7.998 7.998 8.481 -0.483 17839 350 1 2 . 1 1 7 7 LEU N N 7 125.831 125.831 127.847 -2.016 17839 351 1 2 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.744 -0.564 17839 352 1 2 . 1 1 7 7 LEU C C 7 177.079 177.079 175.662 1.417 17839 353 1 2 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.347 0.709 17839 354 1 2 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.698 1.020 17839 355 1 2 . 1 1 7 7 LEU H H 7 8.099 8.099 8.497 -0.398 17839 356 1 2 . 1 1 8 8 ASN N N 8 118.052 118.052 121.062 -3.010 17839 357 1 2 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.913 -0.439 17839 358 1 2 . 1 1 8 8 ASN C C 8 175.250 175.250 175.146 0.104 17839 359 1 2 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.363 0.120 17839 360 1 2 . 1 1 8 8 ASN CB C 8 38.877 38.877 42.279 -3.402 17839 361 1 2 . 1 1 8 8 ASN H H 8 8.058 8.058 7.859 0.199 17839 362 1 2 . 1 1 9 9 LEU N N 9 121.908 121.908 118.215 3.693 17839 363 1 2 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.648 -0.996 17839 364 1 2 . 1 1 9 9 LEU C C 9 177.065 177.065 177.862 -0.797 17839 365 1 2 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.108 1.416 17839 366 1 2 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.178 -0.228 17839 367 1 2 . 1 1 9 9 LEU H H 9 8.251 8.251 8.475 -0.224 17839 368 1 2 . 1 1 10 10 LYS N N 10 118.870 118.870 120.928 -2.058 17839 369 1 2 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.980 -0.320 17839 370 1 2 . 1 1 10 10 LYS C C 10 178.689 178.689 178.510 0.179 17839 371 1 2 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.260 0.540 17839 372 1 2 . 1 1 10 10 LYS CB C 10 32.269 32.269 30.867 1.402 17839 373 1 2 . 1 1 10 10 LYS H H 10 7.940 7.940 8.729 -0.789 17839 374 1 2 . 1 1 11 11 GLN N N 11 117.959 117.959 116.610 1.349 17839 375 1 2 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.093 -0.196 17839 376 1 2 . 1 1 11 11 GLN C C 11 179.084 179.084 178.121 0.963 17839 377 1 2 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.724 0.461 17839 378 1 2 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.026 1.445 17839 379 1 2 . 1 1 11 11 GLN H H 11 7.549 7.549 8.679 -1.130 17839 380 1 2 . 1 1 12 12 ALA N N 12 122.975 122.975 122.266 0.709 17839 381 1 2 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.489 0.414 17839 382 1 2 . 1 1 12 12 ALA C C 12 179.596 179.596 178.793 0.803 17839 383 1 2 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.096 1.327 17839 384 1 2 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.182 0.034 17839 385 1 2 . 1 1 12 12 ALA H H 12 8.363 8.363 8.457 -0.094 17839 386 1 2 . 1 1 13 13 LYS N N 13 116.930 116.930 119.525 -2.595 17839 387 1 2 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.003 -0.666 17839 388 1 2 . 1 1 13 13 LYS C C 13 177.621 177.621 178.506 -0.885 17839 389 1 2 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.317 1.370 17839 390 1 2 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.840 1.043 17839 391 1 2 . 1 1 13 13 LYS H H 13 8.097 8.097 8.038 0.059 17839 392 1 2 . 1 1 14 14 GLU N N 14 116.977 116.977 118.701 -1.724 17839 393 1 2 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.107 -0.393 17839 394 1 2 . 1 1 14 14 GLU C C 14 180.065 180.065 178.766 1.299 17839 395 1 2 . 1 1 14 14 GLU CA C 14 59.584 59.584 58.998 0.586 17839 396 1 2 . 1 1 14 14 GLU CB C 14 29.189 29.189 28.979 0.210 17839 397 1 2 . 1 1 14 14 GLU H H 14 7.582 7.582 8.236 -0.654 17839 398 1 2 . 1 1 15 15 GLU N N 15 119.464 119.464 120.012 -0.548 17839 399 1 2 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.812 0.097 17839 400 1 2 . 1 1 15 15 GLU C C 15 178.367 178.367 178.693 -0.326 17839 401 1 2 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.094 -0.495 17839 402 1 2 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.518 0.517 17839 403 1 2 . 1 1 15 15 GLU H H 15 8.313 8.313 7.384 0.929 17839 404 1 2 . 1 1 16 16 ALA N N 16 122.073 122.073 121.680 0.393 17839 405 1 2 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.059 -0.281 17839 406 1 2 . 1 1 16 16 ALA C C 16 179.245 179.245 179.532 -0.287 17839 407 1 2 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.167 0.165 17839 408 1 2 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.607 0.149 17839 409 1 2 . 1 1 16 16 ALA H H 16 8.427 8.427 7.562 0.865 17839 410 1 2 . 1 1 17 17 ILE N N 17 117.151 117.151 119.391 -2.240 17839 411 1 2 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.597 -0.498 17839 412 1 2 . 1 1 17 17 ILE C C 17 177.196 177.196 178.253 -1.057 17839 413 1 2 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.395 -0.327 17839 414 1 2 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.786 -1.153 17839 415 1 2 . 1 1 17 17 ILE H H 17 8.177 8.177 7.671 0.506 17839 416 1 2 . 1 1 18 18 LYS N N 18 119.317 119.317 118.777 0.540 17839 417 1 2 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.943 -0.274 17839 418 1 2 . 1 1 18 18 LYS C C 18 178.279 178.279 179.339 -1.060 17839 419 1 2 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.526 0.449 17839 420 1 2 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.053 -0.039 17839 421 1 2 . 1 1 18 18 LYS H H 18 7.525 7.525 8.331 -0.806 17839 422 1 2 . 1 1 19 19 GLU N N 19 119.267 119.267 119.237 0.030 17839 423 1 2 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.050 -0.125 17839 424 1 2 . 1 1 19 19 GLU C C 19 178.104 178.104 179.220 -1.116 17839 425 1 2 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.062 -0.157 17839 426 1 2 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.459 -0.927 17839 427 1 2 . 1 1 19 19 GLU H H 19 8.226 8.226 7.623 0.603 17839 428 1 2 . 1 1 20 20 LEU N N 20 120.447 120.447 118.934 1.513 17839 429 1 2 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.235 -0.312 17839 430 1 2 . 1 1 20 20 LEU C C 20 179.991 179.991 178.568 1.423 17839 431 1 2 . 1 1 20 20 LEU CA C 20 58.102 58.102 57.895 0.207 17839 432 1 2 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.200 -1.375 17839 433 1 2 . 1 1 20 20 LEU H H 20 8.018 8.018 8.570 -0.552 17839 434 1 2 . 1 1 21 21 VAL N N 21 124.479 124.479 116.713 7.766 17839 435 1 2 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.893 -0.075 17839 436 1 2 . 1 1 21 21 VAL C C 21 177.431 177.431 177.044 0.387 17839 437 1 2 . 1 1 21 21 VAL CA C 21 66.379 66.379 64.402 1.977 17839 438 1 2 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.961 0.026 17839 439 1 2 . 1 1 21 21 VAL H H 21 9.048 9.048 7.340 1.708 17839 440 1 2 . 1 1 22 22 ASP N N 22 121.941 121.941 119.580 2.361 17839 441 1 2 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.532 -0.588 17839 442 1 2 . 1 1 22 22 ASP C C 22 179.713 179.713 175.710 4.003 17839 443 1 2 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.908 1.208 17839 444 1 2 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.303 -1.803 17839 445 1 2 . 1 1 22 22 ASP H H 22 8.077 8.077 7.641 0.436 17839 446 1 2 . 1 1 23 23 ALA N N 23 116.831 116.831 120.141 -3.310 17839 447 1 2 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.620 -0.440 17839 448 1 2 . 1 1 23 23 ALA C C 23 177.855 177.855 177.346 0.509 17839 449 1 2 . 1 1 23 23 ALA CA C 23 52.301 52.301 50.790 1.511 17839 450 1 2 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.043 -2.053 17839 451 1 2 . 1 1 23 23 ALA H H 23 6.897 6.897 7.236 -0.339 17839 452 1 2 . 1 1 24 24 GLY N N 24 107.830 107.830 108.532 -0.702 17839 453 1 2 . 1 1 24 24 GLY C C 24 174.665 174.665 174.736 -0.071 17839 454 1 2 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.235 -0.424 17839 455 1 2 . 1 1 24 24 GLY H H 24 8.002 8.002 8.599 -0.597 17839 456 1 2 . 1 1 25 25 THR N N 25 117.914 117.914 113.534 4.380 17839 457 1 2 . 1 1 25 25 THR HA H 25 3.818 3.818 3.677 0.141 17839 458 1 2 . 1 1 25 25 THR C C 25 173.187 173.187 173.189 -0.002 17839 459 1 2 . 1 1 25 25 THR CA C 25 64.001 64.001 63.788 0.213 17839 460 1 2 . 1 1 25 25 THR CB C 25 69.674 69.674 69.428 0.246 17839 461 1 2 . 1 1 25 25 THR H H 25 7.784 7.784 7.190 0.594 17839 462 1 2 . 1 1 26 26 ALA N N 26 128.480 128.480 123.981 4.499 17839 463 1 2 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.482 -0.485 17839 464 1 2 . 1 1 26 26 ALA C C 26 177.884 177.884 176.914 0.970 17839 465 1 2 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.630 1.479 17839 466 1 2 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.442 -1.574 17839 467 1 2 . 1 1 26 26 ALA H H 26 8.749 8.749 8.539 0.210 17839 468 1 2 . 1 1 27 27 GLU N N 27 120.909 120.909 124.412 -3.503 17839 469 1 2 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.410 -1.171 17839 470 1 2 . 1 1 27 27 GLU C C 27 178.631 178.631 176.838 1.793 17839 471 1 2 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.045 -1.207 17839 472 1 2 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.639 0.279 17839 473 1 2 . 1 1 27 27 GLU H H 27 8.150 8.150 8.881 -0.731 17839 474 1 2 . 1 1 28 28 LYS N N 28 117.447 117.447 117.557 -0.110 17839 475 1 2 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.739 0.050 17839 476 1 2 . 1 1 28 28 LYS C C 28 177.211 177.211 178.872 -1.661 17839 477 1 2 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.183 -0.093 17839 478 1 2 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.974 0.022 17839 479 1 2 . 1 1 28 28 LYS H H 28 7.989 7.989 8.131 -0.142 17839 480 1 2 . 1 1 29 29 TYR N N 29 116.462 116.462 118.416 -1.954 17839 481 1 2 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.155 0.232 17839 482 1 2 . 1 1 29 29 TYR C C 29 177.313 177.313 177.883 -0.570 17839 483 1 2 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.881 -1.523 17839 484 1 2 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.426 1.030 17839 485 1 2 . 1 1 29 29 TYR H H 29 7.273 7.273 7.490 -0.217 17839 486 1 2 . 1 1 30 30 PHE N N 30 119.334 119.334 117.141 2.193 17839 487 1 2 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.291 -0.211 17839 488 1 2 . 1 1 30 30 PHE C C 30 178.762 178.762 177.338 1.424 17839 489 1 2 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.951 -0.379 17839 490 1 2 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.648 4.473 17839 491 1 2 . 1 1 30 30 PHE H H 30 7.991 7.991 7.496 0.495 17839 492 1 2 . 1 1 31 31 LYS N N 31 118.612 118.612 120.182 -1.570 17839 493 1 2 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.351 -0.447 17839 494 1 2 . 1 1 31 31 LYS C C 31 177.694 177.694 179.004 -1.310 17839 495 1 2 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.102 -0.482 17839 496 1 2 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.427 -0.875 17839 497 1 2 . 1 1 31 31 LYS H H 31 7.916 7.916 7.332 0.584 17839 498 1 2 . 1 1 32 32 LEU N N 32 117.737 117.737 119.711 -1.974 17839 499 1 2 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.104 -0.339 17839 500 1 2 . 1 1 32 32 LEU C C 32 177.021 177.021 178.472 -1.451 17839 501 1 2 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.633 -0.292 17839 502 1 2 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.572 -1.155 17839 503 1 2 . 1 1 32 32 LEU H H 32 7.316 7.316 7.540 -0.224 17839 504 1 2 . 1 1 33 33 ILE N N 33 119.064 119.064 114.210 4.854 17839 505 1 2 . 1 1 33 33 ILE HA H 33 3.652 3.652 4.047 -0.395 17839 506 1 2 . 1 1 33 33 ILE C C 33 177.489 177.489 177.878 -0.389 17839 507 1 2 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.479 -1.694 17839 508 1 2 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.636 -1.934 17839 509 1 2 . 1 1 33 33 ILE H H 33 7.620 7.620 8.094 -0.474 17839 510 1 2 . 1 1 34 34 ALA N N 34 119.319 119.319 122.068 -2.749 17839 511 1 2 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.014 -0.234 17839 512 1 2 . 1 1 34 34 ALA C C 34 179.128 179.128 178.432 0.696 17839 513 1 2 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.684 0.168 17839 514 1 2 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.360 -0.110 17839 515 1 2 . 1 1 34 34 ALA H H 34 7.594 7.594 7.942 -0.348 17839 516 1 2 . 1 1 35 35 ASN N N 35 112.212 112.212 115.869 -3.657 17839 517 1 2 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.640 -0.147 17839 518 1 2 . 1 1 35 35 ASN C C 35 175.265 175.265 175.446 -0.181 17839 519 1 2 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.795 -1.199 17839 520 1 2 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.249 -0.342 17839 521 1 2 . 1 1 35 35 ASN H H 35 7.264 7.264 7.780 -0.516 17839 522 1 2 . 1 1 36 36 ALA N N 36 124.435 124.435 122.867 1.568 17839 523 1 2 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.297 -0.288 17839 524 1 2 . 1 1 36 36 ALA C C 36 177.826 177.826 177.076 0.750 17839 525 1 2 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.704 0.433 17839 526 1 2 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.415 0.102 17839 527 1 2 . 1 1 36 36 ALA H H 36 7.270 7.270 7.654 -0.384 17839 528 1 2 . 1 1 37 37 LYS N N 37 116.671 116.671 121.030 -4.359 17839 529 1 2 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.203 -0.030 17839 530 1 2 . 1 1 37 37 LYS C C 37 176.772 176.772 176.483 0.289 17839 531 1 2 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.333 -0.796 17839 532 1 2 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.683 2.216 17839 533 1 2 . 1 1 37 37 LYS H H 37 8.682 8.682 8.552 0.130 17839 534 1 2 . 1 1 38 38 THR N N 38 106.220 106.220 110.181 -3.961 17839 535 1 2 . 1 1 38 38 THR HA H 38 4.541 4.541 4.600 -0.059 17839 536 1 2 . 1 1 38 38 THR C C 38 173.816 173.816 175.446 -1.630 17839 537 1 2 . 1 1 38 38 THR CA C 38 58.209 58.209 59.982 -1.773 17839 538 1 2 . 1 1 38 38 THR CB C 38 72.726 72.726 70.866 1.860 17839 539 1 2 . 1 1 38 38 THR H H 38 7.232 7.232 7.402 -0.170 17839 540 1 2 . 1 1 39 39 VAL N N 39 122.896 122.896 121.428 1.468 17839 541 1 2 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.902 -1.024 17839 542 1 2 . 1 1 39 39 VAL C C 39 176.655 176.655 177.730 -1.075 17839 543 1 2 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.963 1.155 17839 544 1 2 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.651 -0.391 17839 545 1 2 . 1 1 39 39 VAL H H 39 8.835 8.835 8.778 0.057 17839 546 1 2 . 1 1 40 40 GLU N N 40 117.945 117.945 120.557 -2.612 17839 547 1 2 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.123 -0.341 17839 548 1 2 . 1 1 40 40 GLU C C 40 179.362 179.362 179.100 0.262 17839 549 1 2 . 1 1 40 40 GLU CA C 40 59.924 59.924 60.416 -0.492 17839 550 1 2 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.596 -0.340 17839 551 1 2 . 1 1 40 40 GLU H H 40 8.735 8.735 9.085 -0.350 17839 552 1 2 . 1 1 41 41 GLY N N 41 108.576 108.576 106.508 2.068 17839 553 1 2 . 1 1 41 41 GLY C C 41 176.275 176.275 175.566 0.709 17839 554 1 2 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.658 -0.353 17839 555 1 2 . 1 1 41 41 GLY H H 41 8.019 8.019 7.712 0.307 17839 556 1 2 . 1 1 42 42 VAL N N 42 122.823 122.823 122.724 0.099 17839 557 1 2 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.837 -0.094 17839 558 1 2 . 1 1 42 42 VAL C C 42 177.211 177.211 177.465 -0.254 17839 559 1 2 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.288 1.029 17839 560 1 2 . 1 1 42 42 VAL CB C 42 30.233 30.233 32.029 -1.796 17839 561 1 2 . 1 1 42 42 VAL H H 42 7.705 7.705 7.627 0.078 17839 562 1 2 . 1 1 43 43 TRP N N 43 119.439 119.439 119.322 0.117 17839 563 1 2 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.430 -0.118 17839 564 1 2 . 1 1 43 43 TRP C C 43 178.879 178.879 178.282 0.597 17839 565 1 2 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.933 -2.700 17839 566 1 2 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.066 -0.263 17839 567 1 2 . 1 1 43 43 TRP H H 43 7.497 7.497 9.121 -1.624 17839 568 1 2 . 1 1 44 44 THR N N 44 115.130 115.130 114.238 0.892 17839 569 1 2 . 1 1 44 44 THR HA H 44 3.877 3.877 4.086 -0.209 17839 570 1 2 . 1 1 44 44 THR C C 44 177.299 177.299 176.449 0.850 17839 571 1 2 . 1 1 44 44 THR CA C 44 66.178 66.178 65.750 0.428 17839 572 1 2 . 1 1 44 44 THR CB C 44 68.938 68.938 68.090 0.848 17839 573 1 2 . 1 1 44 44 THR H H 44 8.278 8.278 7.815 0.463 17839 574 1 2 . 1 1 45 45 LEU N N 45 123.159 123.159 123.203 -0.044 17839 575 1 2 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.044 -0.105 17839 576 1 2 . 1 1 45 45 LEU C C 45 178.235 178.235 178.414 -0.179 17839 577 1 2 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.639 -0.992 17839 578 1 2 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.965 0.343 17839 579 1 2 . 1 1 45 45 LEU H H 45 7.835 7.835 7.748 0.087 17839 580 1 2 . 1 1 46 46 LYS N N 46 119.348 119.348 118.033 1.315 17839 581 1 2 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.863 -0.343 17839 582 1 2 . 1 1 46 46 LYS C C 46 177.518 177.518 178.180 -0.662 17839 583 1 2 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.566 0.992 17839 584 1 2 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.354 -1.129 17839 585 1 2 . 1 1 46 46 LYS H H 46 8.521 8.521 8.345 0.176 17839 586 1 2 . 1 1 47 47 ASP N N 47 117.390 117.390 120.157 -2.767 17839 587 1 2 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.382 -0.646 17839 588 1 2 . 1 1 47 47 ASP C C 47 178.689 178.689 178.071 0.618 17839 589 1 2 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.610 -0.471 17839 590 1 2 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.712 -0.916 17839 591 1 2 . 1 1 47 47 ASP H H 47 7.450 7.450 7.815 -0.365 17839 592 1 2 . 1 1 48 48 GLU N N 48 121.902 121.902 118.795 3.107 17839 593 1 2 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.035 -0.275 17839 594 1 2 . 1 1 48 48 GLU C C 48 179.201 179.201 178.705 0.496 17839 595 1 2 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.176 -0.104 17839 596 1 2 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.211 0.450 17839 597 1 2 . 1 1 48 48 GLU H H 48 7.732 7.732 7.532 0.200 17839 598 1 2 . 1 1 49 49 ILE N N 49 120.605 120.605 117.580 3.025 17839 599 1 2 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.906 -0.326 17839 600 1 2 . 1 1 49 49 ILE C C 49 178.704 178.704 177.650 1.054 17839 601 1 2 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.025 0.976 17839 602 1 2 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.096 0.867 17839 603 1 2 . 1 1 49 49 ILE H H 49 8.551 8.551 7.104 1.446 17839 604 1 2 . 1 1 50 50 LYS N N 50 119.061 119.061 118.909 0.152 17839 605 1 2 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.151 -0.442 17839 606 1 2 . 1 1 50 50 LYS C C 50 177.753 177.753 177.850 -0.097 17839 607 1 2 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.472 1.192 17839 608 1 2 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.962 -0.810 17839 609 1 2 . 1 1 50 50 LYS H H 50 7.567 7.567 7.927 -0.360 17839 610 1 2 . 1 1 51 51 THR N N 51 109.727 109.727 112.743 -3.016 17839 611 1 2 . 1 1 51 51 THR HA H 51 4.148 4.148 4.301 -0.153 17839 612 1 2 . 1 1 51 51 THR C C 51 175.440 175.440 174.972 0.468 17839 613 1 2 . 1 1 51 51 THR CA C 51 63.347 63.347 64.368 -1.021 17839 614 1 2 . 1 1 51 51 THR CB C 51 69.707 69.707 70.058 -0.352 17839 615 1 2 . 1 1 51 51 THR H H 51 7.426 7.426 7.593 -0.167 17839 616 1 2 . 1 1 52 52 PHE N N 52 120.966 120.966 119.070 1.896 17839 617 1 2 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.122 0.386 17839 618 1 2 . 1 1 52 52 PHE C C 52 176.816 176.816 175.681 1.135 17839 619 1 2 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.310 -2.350 17839 620 1 2 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.626 -0.102 17839 621 1 2 . 1 1 52 52 PHE H H 52 7.446 7.446 8.528 -1.082 17839 622 1 2 . 1 1 53 53 THR N N 53 114.357 114.357 113.114 1.243 17839 623 1 2 . 1 1 53 53 THR HA H 53 4.223 4.223 4.170 0.053 17839 624 1 2 . 1 1 53 53 THR C C 53 180.987 180.987 174.725 6.262 17839 625 1 2 . 1 1 53 53 THR CA C 53 58.214 58.214 64.290 -6.076 17839 626 1 2 . 1 1 53 53 THR CB C 53 70.157 70.157 69.466 0.691 17839 627 1 2 . 1 1 53 53 THR H H 53 7.953 7.953 8.437 -0.484 17839 628 1 2 . 1 1 54 54 VAL N N 54 122.097 122.097 117.576 4.521 17839 629 1 2 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.306 -0.204 17839 630 1 2 . 1 1 54 54 VAL C C 54 179.509 179.509 175.454 4.055 17839 631 1 2 . 1 1 54 54 VAL CA C 54 62.553 62.553 62.325 0.228 17839 632 1 2 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.816 -0.094 17839 633 1 2 . 1 1 54 54 VAL H H 54 8.045 8.045 8.289 -0.244 17839 634 1 2 . 1 1 55 55 THR N N 55 118.590 118.590 115.588 3.002 17839 635 1 2 . 1 1 55 55 THR HA H 55 4.235 4.235 4.802 -0.567 17839 636 1 2 . 1 1 55 55 THR CA C 55 61.732 61.732 60.981 0.751 17839 637 1 2 . 1 1 55 55 THR CB C 55 69.869 69.869 70.852 -0.983 17839 638 1 2 . 1 1 55 55 THR H H 55 8.209 8.209 7.765 0.444 17839 639 1 3 . 1 1 2 2 THR N N 2 128.640 128.640 122.149 6.491 17839 640 1 3 . 1 1 2 2 THR HA H 2 4.125 4.125 4.635 -0.510 17839 641 1 3 . 1 1 2 2 THR C C 2 173.743 173.743 173.368 0.375 17839 642 1 3 . 1 1 2 2 THR CA C 2 61.651 61.651 62.097 -0.446 17839 643 1 3 . 1 1 2 2 THR CB C 2 69.626 69.626 69.912 -0.286 17839 644 1 3 . 1 1 2 2 THR H H 2 7.994 7.994 8.185 -0.191 17839 645 1 3 . 1 1 3 3 TYR N N 3 124.112 124.112 125.205 -1.093 17839 646 1 3 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.646 -0.464 17839 647 1 3 . 1 1 3 3 TYR C C 3 175.675 175.675 175.151 0.524 17839 648 1 3 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.458 0.842 17839 649 1 3 . 1 1 3 3 TYR CB C 3 38.518 38.518 40.072 -1.554 17839 650 1 3 . 1 1 3 3 TYR H H 3 8.325 8.325 8.438 -0.113 17839 651 1 3 . 1 1 4 4 LYS N N 4 122.769 122.769 124.177 -1.408 17839 652 1 3 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.650 -0.767 17839 653 1 3 . 1 1 4 4 LYS C C 4 175.923 175.923 176.171 -0.248 17839 654 1 3 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.379 1.044 17839 655 1 3 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.840 -1.073 17839 656 1 3 . 1 1 4 4 LYS H H 4 8.027 8.027 8.585 -0.558 17839 657 1 3 . 1 1 5 5 LEU N N 5 122.314 122.314 123.352 -1.038 17839 658 1 3 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.259 -0.199 17839 659 1 3 . 1 1 5 5 LEU C C 5 177.167 177.167 177.366 -0.199 17839 660 1 3 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.314 -0.025 17839 661 1 3 . 1 1 5 5 LEU CB C 5 42.015 42.015 41.373 0.642 17839 662 1 3 . 1 1 5 5 LEU H H 5 7.919 7.919 8.810 -0.891 17839 663 1 3 . 1 1 6 6 ILE N N 6 122.789 122.789 127.395 -4.606 17839 664 1 3 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.078 -0.213 17839 665 1 3 . 1 1 6 6 ILE C C 6 176.231 176.231 174.522 1.709 17839 666 1 3 . 1 1 6 6 ILE CA C 6 61.390 61.390 60.852 0.538 17839 667 1 3 . 1 1 6 6 ILE CB C 6 37.859 37.859 36.691 1.168 17839 668 1 3 . 1 1 6 6 ILE H H 6 7.998 7.998 8.534 -0.536 17839 669 1 3 . 1 1 7 7 LEU N N 7 125.831 125.831 125.591 0.240 17839 670 1 3 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.853 -0.673 17839 671 1 3 . 1 1 7 7 LEU C C 7 177.079 177.079 175.751 1.328 17839 672 1 3 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.135 0.921 17839 673 1 3 . 1 1 7 7 LEU CB C 7 42.718 42.718 43.704 -0.986 17839 674 1 3 . 1 1 7 7 LEU H H 7 8.099 8.099 8.053 0.046 17839 675 1 3 . 1 1 8 8 ASN N N 8 118.052 118.052 118.820 -0.768 17839 676 1 3 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.914 -0.440 17839 677 1 3 . 1 1 8 8 ASN C C 8 175.250 175.250 176.018 -0.768 17839 678 1 3 . 1 1 8 8 ASN CA C 8 52.483 52.483 53.006 -0.523 17839 679 1 3 . 1 1 8 8 ASN CB C 8 38.877 38.877 41.627 -2.750 17839 680 1 3 . 1 1 8 8 ASN H H 8 8.058 8.058 8.251 -0.193 17839 681 1 3 . 1 1 9 9 LEU N N 9 121.908 121.908 120.055 1.853 17839 682 1 3 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.517 -0.865 17839 683 1 3 . 1 1 9 9 LEU C C 9 177.065 177.065 177.738 -0.673 17839 684 1 3 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.052 1.472 17839 685 1 3 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.964 -0.014 17839 686 1 3 . 1 1 9 9 LEU H H 9 8.251 8.251 8.504 -0.253 17839 687 1 3 . 1 1 10 10 LYS N N 10 118.870 118.870 119.574 -0.704 17839 688 1 3 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.874 -0.214 17839 689 1 3 . 1 1 10 10 LYS C C 10 178.689 178.689 178.712 -0.023 17839 690 1 3 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.278 0.522 17839 691 1 3 . 1 1 10 10 LYS CB C 10 32.269 32.269 30.958 1.311 17839 692 1 3 . 1 1 10 10 LYS H H 10 7.940 7.940 8.787 -0.847 17839 693 1 3 . 1 1 11 11 GLN N N 11 117.959 117.959 117.624 0.335 17839 694 1 3 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.026 -0.129 17839 695 1 3 . 1 1 11 11 GLN C C 11 179.084 179.084 178.105 0.979 17839 696 1 3 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.567 0.618 17839 697 1 3 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.039 1.432 17839 698 1 3 . 1 1 11 11 GLN H H 11 7.549 7.549 8.275 -0.726 17839 699 1 3 . 1 1 12 12 ALA N N 12 122.975 122.975 122.036 0.939 17839 700 1 3 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.510 0.393 17839 701 1 3 . 1 1 12 12 ALA C C 12 179.596 179.596 178.488 1.108 17839 702 1 3 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.483 0.940 17839 703 1 3 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.232 -0.016 17839 704 1 3 . 1 1 12 12 ALA H H 12 8.363 8.363 8.803 -0.440 17839 705 1 3 . 1 1 13 13 LYS N N 13 116.930 116.930 119.934 -3.004 17839 706 1 3 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.021 -0.684 17839 707 1 3 . 1 1 13 13 LYS C C 13 177.621 177.621 178.451 -0.830 17839 708 1 3 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.242 1.445 17839 709 1 3 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.674 1.209 17839 710 1 3 . 1 1 13 13 LYS H H 13 8.097 8.097 7.424 0.673 17839 711 1 3 . 1 1 14 14 GLU N N 14 116.977 116.977 119.349 -2.372 17839 712 1 3 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.088 -0.374 17839 713 1 3 . 1 1 14 14 GLU C C 14 180.065 180.065 178.477 1.588 17839 714 1 3 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.064 0.520 17839 715 1 3 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.266 -0.077 17839 716 1 3 . 1 1 14 14 GLU H H 14 7.582 7.582 8.365 -0.783 17839 717 1 3 . 1 1 15 15 GLU N N 15 119.464 119.464 119.823 -0.359 17839 718 1 3 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.771 0.138 17839 719 1 3 . 1 1 15 15 GLU C C 15 178.367 178.367 178.634 -0.267 17839 720 1 3 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.154 -0.555 17839 721 1 3 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.547 0.488 17839 722 1 3 . 1 1 15 15 GLU H H 15 8.313 8.313 7.400 0.913 17839 723 1 3 . 1 1 16 16 ALA N N 16 122.073 122.073 121.480 0.593 17839 724 1 3 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.132 -0.354 17839 725 1 3 . 1 1 16 16 ALA C C 16 179.245 179.245 179.808 -0.563 17839 726 1 3 . 1 1 16 16 ALA CA C 16 55.332 55.332 54.941 0.391 17839 727 1 3 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.450 0.306 17839 728 1 3 . 1 1 16 16 ALA H H 16 8.427 8.427 7.551 0.876 17839 729 1 3 . 1 1 17 17 ILE N N 17 117.151 117.151 119.658 -2.507 17839 730 1 3 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.540 -0.441 17839 731 1 3 . 1 1 17 17 ILE C C 17 177.196 177.196 178.112 -0.916 17839 732 1 3 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.463 -0.394 17839 733 1 3 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.708 -1.074 17839 734 1 3 . 1 1 17 17 ILE H H 17 8.177 8.177 7.611 0.566 17839 735 1 3 . 1 1 18 18 LYS N N 18 119.317 119.317 119.350 -0.033 17839 736 1 3 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.944 -0.275 17839 737 1 3 . 1 1 18 18 LYS C C 18 178.279 178.279 179.284 -1.005 17839 738 1 3 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.475 0.500 17839 739 1 3 . 1 1 18 18 LYS CB C 18 32.015 32.015 31.920 0.095 17839 740 1 3 . 1 1 18 18 LYS H H 18 7.525 7.525 8.410 -0.885 17839 741 1 3 . 1 1 19 19 GLU N N 19 119.267 119.267 119.414 -0.147 17839 742 1 3 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.067 -0.142 17839 743 1 3 . 1 1 19 19 GLU C C 19 178.104 178.104 179.271 -1.167 17839 744 1 3 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.968 -0.063 17839 745 1 3 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.642 -1.111 17839 746 1 3 . 1 1 19 19 GLU H H 19 8.226 8.226 7.653 0.573 17839 747 1 3 . 1 1 20 20 LEU N N 20 120.447 120.447 121.124 -0.677 17839 748 1 3 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.134 -0.211 17839 749 1 3 . 1 1 20 20 LEU C C 20 179.991 179.991 178.794 1.197 17839 750 1 3 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.244 -0.142 17839 751 1 3 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.132 -1.306 17839 752 1 3 . 1 1 20 20 LEU H H 20 8.018 8.018 8.608 -0.590 17839 753 1 3 . 1 1 21 21 VAL N N 21 124.479 124.479 117.943 6.536 17839 754 1 3 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.773 0.045 17839 755 1 3 . 1 1 21 21 VAL C C 21 177.431 177.431 177.880 -0.449 17839 756 1 3 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.888 0.491 17839 757 1 3 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.357 0.630 17839 758 1 3 . 1 1 21 21 VAL H H 21 9.048 9.048 8.120 0.928 17839 759 1 3 . 1 1 22 22 ASP N N 22 121.941 121.941 119.286 2.655 17839 760 1 3 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.519 -0.575 17839 761 1 3 . 1 1 22 22 ASP C C 22 179.713 179.713 175.720 3.993 17839 762 1 3 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.855 1.261 17839 763 1 3 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.535 -2.035 17839 764 1 3 . 1 1 22 22 ASP H H 22 8.077 8.077 7.698 0.379 17839 765 1 3 . 1 1 23 23 ALA N N 23 116.831 116.831 119.104 -2.273 17839 766 1 3 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.621 -0.441 17839 767 1 3 . 1 1 23 23 ALA C C 23 177.855 177.855 176.788 1.067 17839 768 1 3 . 1 1 23 23 ALA CA C 23 52.301 52.301 50.517 1.784 17839 769 1 3 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.267 -2.277 17839 770 1 3 . 1 1 23 23 ALA H H 23 6.897 6.897 7.101 -0.204 17839 771 1 3 . 1 1 24 24 GLY N N 24 107.830 107.830 110.059 -2.229 17839 772 1 3 . 1 1 24 24 GLY C C 24 174.665 174.665 174.494 0.171 17839 773 1 3 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.462 0.348 17839 774 1 3 . 1 1 24 24 GLY H H 24 8.002 8.002 8.891 -0.889 17839 775 1 3 . 1 1 25 25 THR N N 25 117.914 117.914 115.626 2.288 17839 776 1 3 . 1 1 25 25 THR HA H 25 3.818 3.818 4.751 -0.933 17839 777 1 3 . 1 1 25 25 THR C C 25 173.187 173.187 173.657 -0.470 17839 778 1 3 . 1 1 25 25 THR CA C 25 64.001 64.001 60.358 3.643 17839 779 1 3 . 1 1 25 25 THR CB C 25 69.674 69.674 71.333 -1.659 17839 780 1 3 . 1 1 25 25 THR H H 25 7.784 7.784 8.332 -0.548 17839 781 1 3 . 1 1 26 26 ALA N N 26 128.480 128.480 122.341 6.139 17839 782 1 3 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.529 -0.532 17839 783 1 3 . 1 1 26 26 ALA C C 26 177.884 177.884 178.224 -0.340 17839 784 1 3 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.941 2.168 17839 785 1 3 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.093 -1.225 17839 786 1 3 . 1 1 26 26 ALA H H 26 8.749 8.749 8.855 -0.106 17839 787 1 3 . 1 1 27 27 GLU N N 27 120.909 120.909 122.048 -1.139 17839 788 1 3 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.908 -1.669 17839 789 1 3 . 1 1 27 27 GLU C C 27 178.631 178.631 177.277 1.354 17839 790 1 3 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.230 -1.393 17839 791 1 3 . 1 1 27 27 GLU CB C 27 28.918 28.918 29.057 -0.139 17839 792 1 3 . 1 1 27 27 GLU H H 27 8.150 8.150 8.741 -0.591 17839 793 1 3 . 1 1 28 28 LYS N N 28 117.447 117.447 118.062 -0.615 17839 794 1 3 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.745 0.044 17839 795 1 3 . 1 1 28 28 LYS C C 28 177.211 177.211 178.609 -1.398 17839 796 1 3 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.180 -0.090 17839 797 1 3 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.875 0.121 17839 798 1 3 . 1 1 28 28 LYS H H 28 7.989 7.989 8.310 -0.321 17839 799 1 3 . 1 1 29 29 TYR N N 29 116.462 116.462 118.381 -1.919 17839 800 1 3 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.114 0.273 17839 801 1 3 . 1 1 29 29 TYR C C 29 177.313 177.313 178.017 -0.704 17839 802 1 3 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.324 -0.966 17839 803 1 3 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.242 1.214 17839 804 1 3 . 1 1 29 29 TYR H H 29 7.273 7.273 7.035 0.238 17839 805 1 3 . 1 1 30 30 PHE N N 30 119.334 119.334 117.361 1.973 17839 806 1 3 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.313 -0.233 17839 807 1 3 . 1 1 30 30 PHE C C 30 178.762 178.762 177.337 1.425 17839 808 1 3 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.201 -0.629 17839 809 1 3 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.675 4.446 17839 810 1 3 . 1 1 30 30 PHE H H 30 7.991 7.991 7.729 0.262 17839 811 1 3 . 1 1 31 31 LYS N N 31 118.612 118.612 120.313 -1.701 17839 812 1 3 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.347 -0.443 17839 813 1 3 . 1 1 31 31 LYS C C 31 177.694 177.694 178.798 -1.104 17839 814 1 3 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.837 -0.217 17839 815 1 3 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.452 -0.899 17839 816 1 3 . 1 1 31 31 LYS H H 31 7.916 7.916 6.993 0.923 17839 817 1 3 . 1 1 32 32 LEU N N 32 117.737 117.737 119.623 -1.886 17839 818 1 3 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.339 -0.574 17839 819 1 3 . 1 1 32 32 LEU C C 32 177.021 177.021 178.542 -1.521 17839 820 1 3 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.248 0.093 17839 821 1 3 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.822 -1.405 17839 822 1 3 . 1 1 32 32 LEU H H 32 7.316 7.316 8.007 -0.691 17839 823 1 3 . 1 1 33 33 ILE N N 33 119.064 119.064 113.370 5.694 17839 824 1 3 . 1 1 33 33 ILE HA H 33 3.652 3.652 4.104 -0.452 17839 825 1 3 . 1 1 33 33 ILE C C 33 177.489 177.489 177.824 -0.335 17839 826 1 3 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.241 -1.456 17839 827 1 3 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.745 -2.042 17839 828 1 3 . 1 1 33 33 ILE H H 33 7.620 7.620 8.303 -0.683 17839 829 1 3 . 1 1 34 34 ALA N N 34 119.319 119.319 122.690 -3.371 17839 830 1 3 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.984 -0.204 17839 831 1 3 . 1 1 34 34 ALA C C 34 179.128 179.128 178.452 0.676 17839 832 1 3 . 1 1 34 34 ALA CA C 34 54.852 54.852 55.209 -0.357 17839 833 1 3 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.308 -0.058 17839 834 1 3 . 1 1 34 34 ALA H H 34 7.594 7.594 7.942 -0.348 17839 835 1 3 . 1 1 35 35 ASN N N 35 112.212 112.212 113.587 -1.375 17839 836 1 3 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.628 -0.135 17839 837 1 3 . 1 1 35 35 ASN C C 35 175.265 175.265 175.386 -0.121 17839 838 1 3 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.274 -0.678 17839 839 1 3 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.896 0.011 17839 840 1 3 . 1 1 35 35 ASN H H 35 7.264 7.264 7.976 -0.712 17839 841 1 3 . 1 1 36 36 ALA N N 36 124.435 124.435 125.689 -1.254 17839 842 1 3 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.209 -0.200 17839 843 1 3 . 1 1 36 36 ALA C C 36 177.826 177.826 177.727 0.099 17839 844 1 3 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.673 0.464 17839 845 1 3 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.572 -0.055 17839 846 1 3 . 1 1 36 36 ALA H H 36 7.270 7.270 7.749 -0.479 17839 847 1 3 . 1 1 37 37 LYS N N 37 116.671 116.671 122.632 -5.961 17839 848 1 3 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.124 0.049 17839 849 1 3 . 1 1 37 37 LYS C C 37 176.772 176.772 176.534 0.238 17839 850 1 3 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.711 -1.174 17839 851 1 3 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.184 2.715 17839 852 1 3 . 1 1 37 37 LYS H H 37 8.682 8.682 8.473 0.209 17839 853 1 3 . 1 1 38 38 THR N N 38 106.220 106.220 111.581 -5.361 17839 854 1 3 . 1 1 38 38 THR HA H 38 4.541 4.541 4.525 0.016 17839 855 1 3 . 1 1 38 38 THR C C 38 173.816 173.816 175.579 -1.763 17839 856 1 3 . 1 1 38 38 THR CA C 38 58.209 58.209 60.381 -2.172 17839 857 1 3 . 1 1 38 38 THR CB C 38 72.726 72.726 71.142 1.584 17839 858 1 3 . 1 1 38 38 THR H H 38 7.232 7.232 7.519 -0.287 17839 859 1 3 . 1 1 39 39 VAL N N 39 122.896 122.896 120.502 2.394 17839 860 1 3 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.998 -1.120 17839 861 1 3 . 1 1 39 39 VAL C C 39 176.655 176.655 177.610 -0.955 17839 862 1 3 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.815 1.303 17839 863 1 3 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.625 -0.365 17839 864 1 3 . 1 1 39 39 VAL H H 39 8.835 8.835 8.769 0.066 17839 865 1 3 . 1 1 40 40 GLU N N 40 117.945 117.945 120.950 -3.005 17839 866 1 3 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.172 -0.390 17839 867 1 3 . 1 1 40 40 GLU C C 40 179.362 179.362 178.965 0.397 17839 868 1 3 . 1 1 40 40 GLU CA C 40 59.924 59.924 60.249 -0.325 17839 869 1 3 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.631 -0.375 17839 870 1 3 . 1 1 40 40 GLU H H 40 8.735 8.735 9.071 -0.336 17839 871 1 3 . 1 1 41 41 GLY N N 41 108.576 108.576 106.707 1.869 17839 872 1 3 . 1 1 41 41 GLY C C 41 176.275 176.275 175.677 0.598 17839 873 1 3 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.708 -0.403 17839 874 1 3 . 1 1 41 41 GLY H H 41 8.019 8.019 7.555 0.464 17839 875 1 3 . 1 1 42 42 VAL N N 42 122.823 122.823 122.577 0.246 17839 876 1 3 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.893 -0.150 17839 877 1 3 . 1 1 42 42 VAL C C 42 177.211 177.211 177.840 -0.629 17839 878 1 3 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.516 0.801 17839 879 1 3 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.701 -1.468 17839 880 1 3 . 1 1 42 42 VAL H H 42 7.705 7.705 7.614 0.091 17839 881 1 3 . 1 1 43 43 TRP N N 43 119.439 119.439 118.371 1.068 17839 882 1 3 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.407 -0.095 17839 883 1 3 . 1 1 43 43 TRP C C 43 178.879 178.879 178.862 0.017 17839 884 1 3 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.485 -2.252 17839 885 1 3 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.032 -0.229 17839 886 1 3 . 1 1 43 43 TRP H H 43 7.497 7.497 9.011 -1.514 17839 887 1 3 . 1 1 44 44 THR N N 44 115.130 115.130 114.493 0.637 17839 888 1 3 . 1 1 44 44 THR HA H 44 3.877 3.877 4.012 -0.135 17839 889 1 3 . 1 1 44 44 THR C C 44 177.299 177.299 176.532 0.767 17839 890 1 3 . 1 1 44 44 THR CA C 44 66.178 66.178 65.788 0.390 17839 891 1 3 . 1 1 44 44 THR CB C 44 68.938 68.938 68.407 0.531 17839 892 1 3 . 1 1 44 44 THR H H 44 8.278 8.278 7.674 0.604 17839 893 1 3 . 1 1 45 45 LEU N N 45 123.159 123.159 122.994 0.165 17839 894 1 3 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.970 -0.031 17839 895 1 3 . 1 1 45 45 LEU C C 45 178.235 178.235 178.663 -0.428 17839 896 1 3 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.558 -0.911 17839 897 1 3 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.845 0.463 17839 898 1 3 . 1 1 45 45 LEU H H 45 7.835 7.835 7.834 0.001 17839 899 1 3 . 1 1 46 46 LYS N N 46 119.348 119.348 119.247 0.101 17839 900 1 3 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.876 -0.356 17839 901 1 3 . 1 1 46 46 LYS C C 46 177.518 177.518 178.496 -0.978 17839 902 1 3 . 1 1 46 46 LYS CA C 46 60.558 60.558 60.094 0.464 17839 903 1 3 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.872 -1.647 17839 904 1 3 . 1 1 46 46 LYS H H 46 8.521 8.521 8.042 0.479 17839 905 1 3 . 1 1 47 47 ASP N N 47 117.390 117.390 118.671 -1.281 17839 906 1 3 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.389 -0.653 17839 907 1 3 . 1 1 47 47 ASP C C 47 178.689 178.689 178.583 0.106 17839 908 1 3 . 1 1 47 47 ASP CA C 47 57.139 57.139 58.178 -1.039 17839 909 1 3 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.656 -0.860 17839 910 1 3 . 1 1 47 47 ASP H H 47 7.450 7.450 7.786 -0.336 17839 911 1 3 . 1 1 48 48 GLU N N 48 121.902 121.902 118.712 3.190 17839 912 1 3 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.092 -0.332 17839 913 1 3 . 1 1 48 48 GLU C C 48 179.201 179.201 178.770 0.431 17839 914 1 3 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.407 -0.335 17839 915 1 3 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.586 0.075 17839 916 1 3 . 1 1 48 48 GLU H H 48 7.732 7.732 7.572 0.160 17839 917 1 3 . 1 1 49 49 ILE N N 49 120.605 120.605 117.566 3.039 17839 918 1 3 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.161 -0.581 17839 919 1 3 . 1 1 49 49 ILE C C 49 178.704 178.704 177.563 1.141 17839 920 1 3 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.395 0.606 17839 921 1 3 . 1 1 49 49 ILE CB C 49 37.963 37.963 36.902 1.061 17839 922 1 3 . 1 1 49 49 ILE H H 49 8.551 8.551 7.340 1.211 17839 923 1 3 . 1 1 50 50 LYS N N 50 119.061 119.061 117.845 1.216 17839 924 1 3 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.156 -0.447 17839 925 1 3 . 1 1 50 50 LYS C C 50 177.753 177.753 177.682 0.071 17839 926 1 3 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.133 1.531 17839 927 1 3 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.551 -1.398 17839 928 1 3 . 1 1 50 50 LYS H H 50 7.567 7.567 7.490 0.077 17839 929 1 3 . 1 1 51 51 THR N N 51 109.727 109.727 114.616 -4.889 17839 930 1 3 . 1 1 51 51 THR HA H 51 4.148 4.148 4.260 -0.112 17839 931 1 3 . 1 1 51 51 THR C C 51 175.440 175.440 175.906 -0.466 17839 932 1 3 . 1 1 51 51 THR CA C 51 63.347 63.347 65.021 -1.674 17839 933 1 3 . 1 1 51 51 THR CB C 51 69.707 69.707 69.814 -0.107 17839 934 1 3 . 1 1 51 51 THR H H 51 7.426 7.426 7.765 -0.339 17839 935 1 3 . 1 1 52 52 PHE N N 52 120.966 120.966 121.659 -0.693 17839 936 1 3 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.644 -0.136 17839 937 1 3 . 1 1 52 52 PHE C C 52 176.816 176.816 174.848 1.968 17839 938 1 3 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.252 -1.292 17839 939 1 3 . 1 1 52 52 PHE CB C 52 37.524 37.524 39.118 -1.595 17839 940 1 3 . 1 1 52 52 PHE H H 52 7.446 7.446 8.355 -0.909 17839 941 1 3 . 1 1 53 53 THR N N 53 114.357 114.357 115.635 -1.278 17839 942 1 3 . 1 1 53 53 THR HA H 53 4.223 4.223 3.936 0.287 17839 943 1 3 . 1 1 53 53 THR C C 53 180.987 180.987 173.944 7.043 17839 944 1 3 . 1 1 53 53 THR CA C 53 58.214 58.214 62.751 -4.537 17839 945 1 3 . 1 1 53 53 THR CB C 53 70.157 70.157 70.033 0.124 17839 946 1 3 . 1 1 53 53 THR H H 53 7.953 7.953 7.594 0.359 17839 947 1 3 . 1 1 54 54 VAL N N 54 122.097 122.097 119.367 2.730 17839 948 1 3 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.465 -0.363 17839 949 1 3 . 1 1 54 54 VAL C C 54 179.509 179.509 175.110 4.399 17839 950 1 3 . 1 1 54 54 VAL CA C 54 62.553 62.553 60.616 1.937 17839 951 1 3 . 1 1 54 54 VAL CB C 54 32.722 32.722 33.411 -0.689 17839 952 1 3 . 1 1 54 54 VAL H H 54 8.045 8.045 8.068 -0.023 17839 953 1 3 . 1 1 55 55 THR N N 55 118.590 118.590 118.877 -0.287 17839 954 1 3 . 1 1 55 55 THR HA H 55 4.235 4.235 4.494 -0.259 17839 955 1 3 . 1 1 55 55 THR CA C 55 61.732 61.732 62.389 -0.657 17839 956 1 3 . 1 1 55 55 THR CB C 55 69.869 69.869 69.418 0.451 17839 957 1 3 . 1 1 55 55 THR H H 55 8.209 8.209 8.257 -0.048 17839 958 1 4 . 1 1 2 2 THR N N 2 128.640 128.640 116.488 12.152 17839 959 1 4 . 1 1 2 2 THR HA H 2 4.125 4.125 4.578 -0.453 17839 960 1 4 . 1 1 2 2 THR C C 2 173.743 173.743 173.804 -0.061 17839 961 1 4 . 1 1 2 2 THR CA C 2 61.651 61.651 62.716 -1.065 17839 962 1 4 . 1 1 2 2 THR CB C 2 69.626 69.626 68.674 0.952 17839 963 1 4 . 1 1 2 2 THR H H 2 7.994 7.994 8.348 -0.354 17839 964 1 4 . 1 1 3 3 TYR N N 3 124.112 124.112 120.490 3.622 17839 965 1 4 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.565 -0.383 17839 966 1 4 . 1 1 3 3 TYR C C 3 175.675 175.675 175.545 0.130 17839 967 1 4 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.892 0.408 17839 968 1 4 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.494 -0.976 17839 969 1 4 . 1 1 3 3 TYR H H 3 8.325 8.325 7.979 0.346 17839 970 1 4 . 1 1 4 4 LYS N N 4 122.769 122.769 122.089 0.680 17839 971 1 4 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.402 -0.519 17839 972 1 4 . 1 1 4 4 LYS C C 4 175.923 175.923 176.999 -1.076 17839 973 1 4 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.317 0.106 17839 974 1 4 . 1 1 4 4 LYS CB C 4 32.767 32.767 31.833 0.934 17839 975 1 4 . 1 1 4 4 LYS H H 4 8.027 8.027 8.066 -0.039 17839 976 1 4 . 1 1 5 5 LEU N N 5 122.314 122.314 123.690 -1.376 17839 977 1 4 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.150 -0.090 17839 978 1 4 . 1 1 5 5 LEU C C 5 177.167 177.167 178.208 -1.041 17839 979 1 4 . 1 1 5 5 LEU CA C 5 55.289 55.289 56.103 -0.814 17839 980 1 4 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.204 -0.189 17839 981 1 4 . 1 1 5 5 LEU H H 5 7.919 7.919 8.772 -0.853 17839 982 1 4 . 1 1 6 6 ILE N N 6 122.789 122.789 116.132 6.657 17839 983 1 4 . 1 1 6 6 ILE HA H 6 3.865 3.865 3.837 0.028 17839 984 1 4 . 1 1 6 6 ILE C C 6 176.231 176.231 175.168 1.063 17839 985 1 4 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.383 0.007 17839 986 1 4 . 1 1 6 6 ILE CB C 6 37.859 37.859 37.543 0.316 17839 987 1 4 . 1 1 6 6 ILE H H 6 7.998 7.998 7.931 0.067 17839 988 1 4 . 1 1 7 7 LEU N N 7 125.831 125.831 121.339 4.492 17839 989 1 4 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.141 0.039 17839 990 1 4 . 1 1 7 7 LEU C C 7 177.079 177.079 176.663 0.416 17839 991 1 4 . 1 1 7 7 LEU CA C 7 55.056 55.056 56.136 -1.080 17839 992 1 4 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.327 1.391 17839 993 1 4 . 1 1 7 7 LEU H H 7 8.099 8.099 7.871 0.228 17839 994 1 4 . 1 1 8 8 ASN N N 8 118.052 118.052 121.701 -3.649 17839 995 1 4 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.946 -0.472 17839 996 1 4 . 1 1 8 8 ASN C C 8 175.250 175.250 175.104 0.146 17839 997 1 4 . 1 1 8 8 ASN CA C 8 52.483 52.483 51.850 0.633 17839 998 1 4 . 1 1 8 8 ASN CB C 8 38.877 38.877 41.561 -2.684 17839 999 1 4 . 1 1 8 8 ASN H H 8 8.058 8.058 7.912 0.146 17839 1000 1 4 . 1 1 9 9 LEU N N 9 121.908 121.908 118.189 3.719 17839 1001 1 4 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.606 -0.954 17839 1002 1 4 . 1 1 9 9 LEU C C 9 177.065 177.065 178.098 -1.033 17839 1003 1 4 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.137 1.387 17839 1004 1 4 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.331 -0.381 17839 1005 1 4 . 1 1 9 9 LEU H H 9 8.251 8.251 8.444 -0.193 17839 1006 1 4 . 1 1 10 10 LYS N N 10 118.870 118.870 121.052 -2.182 17839 1007 1 4 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.849 -0.189 17839 1008 1 4 . 1 1 10 10 LYS C C 10 178.689 178.689 178.356 0.333 17839 1009 1 4 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.768 0.032 17839 1010 1 4 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.522 0.747 17839 1011 1 4 . 1 1 10 10 LYS H H 10 7.940 7.940 8.286 -0.346 17839 1012 1 4 . 1 1 11 11 GLN N N 11 117.959 117.959 117.442 0.517 17839 1013 1 4 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.035 -0.138 17839 1014 1 4 . 1 1 11 11 GLN C C 11 179.084 179.084 178.209 0.875 17839 1015 1 4 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.612 0.573 17839 1016 1 4 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.094 1.377 17839 1017 1 4 . 1 1 11 11 GLN H H 11 7.549 7.549 8.387 -0.838 17839 1018 1 4 . 1 1 12 12 ALA N N 12 122.975 122.975 122.268 0.707 17839 1019 1 4 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.505 0.398 17839 1020 1 4 . 1 1 12 12 ALA C C 12 179.596 179.596 178.725 0.871 17839 1021 1 4 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.077 1.346 17839 1022 1 4 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.348 -0.132 17839 1023 1 4 . 1 1 12 12 ALA H H 12 8.363 8.363 8.565 -0.202 17839 1024 1 4 . 1 1 13 13 LYS N N 13 116.930 116.930 120.052 -3.122 17839 1025 1 4 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.001 -0.664 17839 1026 1 4 . 1 1 13 13 LYS C C 13 177.621 177.621 178.462 -0.841 17839 1027 1 4 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.300 1.387 17839 1028 1 4 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.969 0.914 17839 1029 1 4 . 1 1 13 13 LYS H H 13 8.097 8.097 7.894 0.203 17839 1030 1 4 . 1 1 14 14 GLU N N 14 116.977 116.977 119.279 -2.302 17839 1031 1 4 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.092 -0.378 17839 1032 1 4 . 1 1 14 14 GLU C C 14 180.065 180.065 178.469 1.596 17839 1033 1 4 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.038 0.546 17839 1034 1 4 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.279 -0.090 17839 1035 1 4 . 1 1 14 14 GLU H H 14 7.582 7.582 8.416 -0.834 17839 1036 1 4 . 1 1 15 15 GLU N N 15 119.464 119.464 119.899 -0.435 17839 1037 1 4 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.771 0.138 17839 1038 1 4 . 1 1 15 15 GLU C C 15 178.367 178.367 178.648 -0.281 17839 1039 1 4 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.139 -0.540 17839 1040 1 4 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.535 0.500 17839 1041 1 4 . 1 1 15 15 GLU H H 15 8.313 8.313 7.419 0.894 17839 1042 1 4 . 1 1 16 16 ALA N N 16 122.073 122.073 121.534 0.539 17839 1043 1 4 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.130 -0.352 17839 1044 1 4 . 1 1 16 16 ALA C C 16 179.245 179.245 179.781 -0.536 17839 1045 1 4 . 1 1 16 16 ALA CA C 16 55.332 55.332 54.956 0.376 17839 1046 1 4 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.448 0.308 17839 1047 1 4 . 1 1 16 16 ALA H H 16 8.427 8.427 7.595 0.832 17839 1048 1 4 . 1 1 17 17 ILE N N 17 117.151 117.151 119.652 -2.501 17839 1049 1 4 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.516 -0.417 17839 1050 1 4 . 1 1 17 17 ILE C C 17 177.196 177.196 178.039 -0.843 17839 1051 1 4 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.613 -0.544 17839 1052 1 4 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.732 -1.098 17839 1053 1 4 . 1 1 17 17 ILE H H 17 8.177 8.177 7.650 0.527 17839 1054 1 4 . 1 1 18 18 LYS N N 18 119.317 119.317 119.508 -0.191 17839 1055 1 4 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.872 -0.203 17839 1056 1 4 . 1 1 18 18 LYS C C 18 178.279 178.279 179.181 -0.902 17839 1057 1 4 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.014 -0.039 17839 1058 1 4 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.399 -0.384 17839 1059 1 4 . 1 1 18 18 LYS H H 18 7.525 7.525 8.358 -0.833 17839 1060 1 4 . 1 1 19 19 GLU N N 19 119.267 119.267 118.858 0.409 17839 1061 1 4 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.106 -0.181 17839 1062 1 4 . 1 1 19 19 GLU C C 19 178.104 178.104 179.137 -1.033 17839 1063 1 4 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.926 -0.021 17839 1064 1 4 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.651 -1.120 17839 1065 1 4 . 1 1 19 19 GLU H H 19 8.226 8.226 7.565 0.661 17839 1066 1 4 . 1 1 20 20 LEU N N 20 120.447 120.447 120.634 -0.187 17839 1067 1 4 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.135 -0.212 17839 1068 1 4 . 1 1 20 20 LEU C C 20 179.991 179.991 178.921 1.070 17839 1069 1 4 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.132 -0.030 17839 1070 1 4 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.083 -1.258 17839 1071 1 4 . 1 1 20 20 LEU H H 20 8.018 8.018 8.647 -0.629 17839 1072 1 4 . 1 1 21 21 VAL N N 21 124.479 124.479 118.073 6.406 17839 1073 1 4 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.755 0.063 17839 1074 1 4 . 1 1 21 21 VAL C C 21 177.431 177.431 177.836 -0.405 17839 1075 1 4 . 1 1 21 21 VAL CA C 21 66.379 66.379 66.236 0.143 17839 1076 1 4 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.744 0.243 17839 1077 1 4 . 1 1 21 21 VAL H H 21 9.048 9.048 7.887 1.161 17839 1078 1 4 . 1 1 22 22 ASP N N 22 121.941 121.941 118.600 3.341 17839 1079 1 4 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.525 -0.581 17839 1080 1 4 . 1 1 22 22 ASP C C 22 179.713 179.713 176.011 3.702 17839 1081 1 4 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.619 1.497 17839 1082 1 4 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.459 -1.959 17839 1083 1 4 . 1 1 22 22 ASP H H 22 8.077 8.077 7.763 0.314 17839 1084 1 4 . 1 1 23 23 ALA N N 23 116.831 116.831 120.526 -3.695 17839 1085 1 4 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.591 -0.411 17839 1086 1 4 . 1 1 23 23 ALA C C 23 177.855 177.855 177.036 0.819 17839 1087 1 4 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.013 1.288 17839 1088 1 4 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.436 -2.446 17839 1089 1 4 . 1 1 23 23 ALA H H 23 6.897 6.897 7.158 -0.261 17839 1090 1 4 . 1 1 24 24 GLY N N 24 107.830 107.830 109.491 -1.661 17839 1091 1 4 . 1 1 24 24 GLY C C 24 174.665 174.665 174.006 0.659 17839 1092 1 4 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.642 0.170 17839 1093 1 4 . 1 1 24 24 GLY H H 24 8.002 8.002 8.647 -0.645 17839 1094 1 4 . 1 1 25 25 THR N N 25 117.914 117.914 116.223 1.691 17839 1095 1 4 . 1 1 25 25 THR HA H 25 3.818 3.818 4.415 -0.597 17839 1096 1 4 . 1 1 25 25 THR C C 25 173.187 173.187 173.714 -0.527 17839 1097 1 4 . 1 1 25 25 THR CA C 25 64.001 64.001 59.865 4.136 17839 1098 1 4 . 1 1 25 25 THR CB C 25 69.674 69.674 70.892 -1.218 17839 1099 1 4 . 1 1 25 25 THR H H 25 7.784 7.784 8.234 -0.450 17839 1100 1 4 . 1 1 26 26 ALA N N 26 128.480 128.480 122.398 6.082 17839 1101 1 4 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.561 -0.564 17839 1102 1 4 . 1 1 26 26 ALA C C 26 177.884 177.884 178.203 -0.319 17839 1103 1 4 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.886 2.223 17839 1104 1 4 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.260 -1.392 17839 1105 1 4 . 1 1 26 26 ALA H H 26 8.749 8.749 8.840 -0.091 17839 1106 1 4 . 1 1 27 27 GLU N N 27 120.909 120.909 121.686 -0.777 17839 1107 1 4 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.783 -1.544 17839 1108 1 4 . 1 1 27 27 GLU C C 27 178.631 178.631 177.209 1.422 17839 1109 1 4 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.252 -1.414 17839 1110 1 4 . 1 1 27 27 GLU CB C 27 28.918 28.918 29.038 -0.120 17839 1111 1 4 . 1 1 27 27 GLU H H 27 8.150 8.150 8.722 -0.572 17839 1112 1 4 . 1 1 28 28 LYS N N 28 117.447 117.447 118.074 -0.627 17839 1113 1 4 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.759 0.030 17839 1114 1 4 . 1 1 28 28 LYS C C 28 177.211 177.211 178.647 -1.436 17839 1115 1 4 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.304 -0.214 17839 1116 1 4 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.892 0.104 17839 1117 1 4 . 1 1 28 28 LYS H H 28 7.989 7.989 8.332 -0.343 17839 1118 1 4 . 1 1 29 29 TYR N N 29 116.462 116.462 118.404 -1.942 17839 1119 1 4 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.136 0.251 17839 1120 1 4 . 1 1 29 29 TYR C C 29 177.313 177.313 178.036 -0.723 17839 1121 1 4 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.358 -1.000 17839 1122 1 4 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.230 1.226 17839 1123 1 4 . 1 1 29 29 TYR H H 29 7.273 7.273 7.025 0.248 17839 1124 1 4 . 1 1 30 30 PHE N N 30 119.334 119.334 117.459 1.875 17839 1125 1 4 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.294 -0.214 17839 1126 1 4 . 1 1 30 30 PHE C C 30 178.762 178.762 177.360 1.402 17839 1127 1 4 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.042 -0.470 17839 1128 1 4 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.749 4.372 17839 1129 1 4 . 1 1 30 30 PHE H H 30 7.991 7.991 7.745 0.246 17839 1130 1 4 . 1 1 31 31 LYS N N 31 118.612 118.612 120.765 -2.153 17839 1131 1 4 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.348 -0.444 17839 1132 1 4 . 1 1 31 31 LYS C C 31 177.694 177.694 178.823 -1.129 17839 1133 1 4 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.693 -0.073 17839 1134 1 4 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.301 -0.749 17839 1135 1 4 . 1 1 31 31 LYS H H 31 7.916 7.916 7.061 0.855 17839 1136 1 4 . 1 1 32 32 LEU N N 32 117.737 117.737 120.002 -2.265 17839 1137 1 4 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.038 -0.273 17839 1138 1 4 . 1 1 32 32 LEU C C 32 177.021 177.021 178.672 -1.651 17839 1139 1 4 . 1 1 32 32 LEU CA C 32 57.341 57.341 58.333 -0.992 17839 1140 1 4 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.424 -1.007 17839 1141 1 4 . 1 1 32 32 LEU H H 32 7.316 7.316 8.140 -0.824 17839 1142 1 4 . 1 1 33 33 ILE N N 33 119.064 119.064 114.182 4.882 17839 1143 1 4 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.911 -0.259 17839 1144 1 4 . 1 1 33 33 ILE C C 33 177.489 177.489 177.997 -0.508 17839 1145 1 4 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.986 -2.201 17839 1146 1 4 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.474 -1.772 17839 1147 1 4 . 1 1 33 33 ILE H H 33 7.620 7.620 8.375 -0.755 17839 1148 1 4 . 1 1 34 34 ALA N N 34 119.319 119.319 122.184 -2.865 17839 1149 1 4 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.021 -0.241 17839 1150 1 4 . 1 1 34 34 ALA C C 34 179.128 179.128 178.596 0.532 17839 1151 1 4 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.688 0.165 17839 1152 1 4 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.350 -0.100 17839 1153 1 4 . 1 1 34 34 ALA H H 34 7.594 7.594 7.846 -0.252 17839 1154 1 4 . 1 1 35 35 ASN N N 35 112.212 112.212 116.875 -4.663 17839 1155 1 4 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.660 -0.167 17839 1156 1 4 . 1 1 35 35 ASN C C 35 175.265 175.265 175.462 -0.197 17839 1157 1 4 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.101 -0.505 17839 1158 1 4 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.376 -0.469 17839 1159 1 4 . 1 1 35 35 ASN H H 35 7.264 7.264 7.777 -0.513 17839 1160 1 4 . 1 1 36 36 ALA N N 36 124.435 124.435 122.698 1.737 17839 1161 1 4 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.236 -0.227 17839 1162 1 4 . 1 1 36 36 ALA C C 36 177.826 177.826 176.827 0.999 17839 1163 1 4 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.291 0.846 17839 1164 1 4 . 1 1 36 36 ALA CB C 36 19.517 19.517 20.037 -0.520 17839 1165 1 4 . 1 1 36 36 ALA H H 36 7.270 7.270 7.700 -0.430 17839 1166 1 4 . 1 1 37 37 LYS N N 37 116.671 116.671 120.388 -3.717 17839 1167 1 4 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.201 -0.028 17839 1168 1 4 . 1 1 37 37 LYS C C 37 176.772 176.772 176.233 0.539 17839 1169 1 4 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.016 -0.479 17839 1170 1 4 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.668 2.231 17839 1171 1 4 . 1 1 37 37 LYS H H 37 8.682 8.682 8.482 0.200 17839 1172 1 4 . 1 1 38 38 THR N N 38 106.220 106.220 112.605 -6.385 17839 1173 1 4 . 1 1 38 38 THR HA H 38 4.541 4.541 4.539 0.002 17839 1174 1 4 . 1 1 38 38 THR C C 38 173.816 173.816 175.475 -1.659 17839 1175 1 4 . 1 1 38 38 THR CA C 38 58.209 58.209 60.467 -2.258 17839 1176 1 4 . 1 1 38 38 THR CB C 38 72.726 72.726 70.944 1.782 17839 1177 1 4 . 1 1 38 38 THR H H 38 7.232 7.232 7.623 -0.391 17839 1178 1 4 . 1 1 39 39 VAL N N 39 122.896 122.896 121.302 1.594 17839 1179 1 4 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.945 -1.067 17839 1180 1 4 . 1 1 39 39 VAL C C 39 176.655 176.655 177.313 -0.658 17839 1181 1 4 . 1 1 39 39 VAL CA C 39 67.118 67.118 66.061 1.057 17839 1182 1 4 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.347 -0.087 17839 1183 1 4 . 1 1 39 39 VAL H H 39 8.835 8.835 8.725 0.110 17839 1184 1 4 . 1 1 40 40 GLU N N 40 117.945 117.945 120.757 -2.812 17839 1185 1 4 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.144 -0.362 17839 1186 1 4 . 1 1 40 40 GLU C C 40 179.362 179.362 179.029 0.333 17839 1187 1 4 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.895 0.029 17839 1188 1 4 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.742 -0.486 17839 1189 1 4 . 1 1 40 40 GLU H H 40 8.735 8.735 9.080 -0.345 17839 1190 1 4 . 1 1 41 41 GLY N N 41 108.576 108.576 106.822 1.754 17839 1191 1 4 . 1 1 41 41 GLY C C 41 176.275 176.275 175.716 0.559 17839 1192 1 4 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.889 -0.584 17839 1193 1 4 . 1 1 41 41 GLY H H 41 8.019 8.019 7.723 0.296 17839 1194 1 4 . 1 1 42 42 VAL N N 42 122.823 122.823 122.816 0.007 17839 1195 1 4 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.941 -0.198 17839 1196 1 4 . 1 1 42 42 VAL C C 42 177.211 177.211 177.832 -0.621 17839 1197 1 4 . 1 1 42 42 VAL CA C 42 67.317 67.317 65.238 2.079 17839 1198 1 4 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.567 -1.334 17839 1199 1 4 . 1 1 42 42 VAL H H 42 7.705 7.705 7.608 0.097 17839 1200 1 4 . 1 1 43 43 TRP N N 43 119.439 119.439 118.905 0.534 17839 1201 1 4 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.404 -0.092 17839 1202 1 4 . 1 1 43 43 TRP C C 43 178.879 178.879 178.638 0.241 17839 1203 1 4 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.985 -2.752 17839 1204 1 4 . 1 1 43 43 TRP CB C 43 28.803 28.803 28.863 -0.060 17839 1205 1 4 . 1 1 43 43 TRP H H 43 7.497 7.497 9.003 -1.506 17839 1206 1 4 . 1 1 44 44 THR N N 44 115.130 115.130 113.922 1.208 17839 1207 1 4 . 1 1 44 44 THR HA H 44 3.877 3.877 4.068 -0.191 17839 1208 1 4 . 1 1 44 44 THR C C 44 177.299 177.299 176.555 0.744 17839 1209 1 4 . 1 1 44 44 THR CA C 44 66.178 66.178 65.733 0.445 17839 1210 1 4 . 1 1 44 44 THR CB C 44 68.938 68.938 68.553 0.385 17839 1211 1 4 . 1 1 44 44 THR H H 44 8.278 8.278 7.560 0.718 17839 1212 1 4 . 1 1 45 45 LEU N N 45 123.159 123.159 121.951 1.208 17839 1213 1 4 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.006 -0.067 17839 1214 1 4 . 1 1 45 45 LEU C C 45 178.235 178.235 178.872 -0.637 17839 1215 1 4 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.345 0.302 17839 1216 1 4 . 1 1 45 45 LEU CB C 45 42.308 42.308 40.801 1.507 17839 1217 1 4 . 1 1 45 45 LEU H H 45 7.835 7.835 7.795 0.040 17839 1218 1 4 . 1 1 46 46 LYS N N 46 119.348 119.348 119.145 0.203 17839 1219 1 4 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.920 -0.400 17839 1220 1 4 . 1 1 46 46 LYS C C 46 177.518 177.518 178.623 -1.105 17839 1221 1 4 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.719 0.839 17839 1222 1 4 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.887 -1.662 17839 1223 1 4 . 1 1 46 46 LYS H H 46 8.521 8.521 8.087 0.434 17839 1224 1 4 . 1 1 47 47 ASP N N 47 117.390 117.390 119.215 -1.825 17839 1225 1 4 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.436 -0.700 17839 1226 1 4 . 1 1 47 47 ASP C C 47 178.689 178.689 178.297 0.392 17839 1227 1 4 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.458 -0.319 17839 1228 1 4 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.582 -0.786 17839 1229 1 4 . 1 1 47 47 ASP H H 47 7.450 7.450 7.881 -0.431 17839 1230 1 4 . 1 1 48 48 GLU N N 48 121.902 121.902 118.427 3.475 17839 1231 1 4 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.104 -0.344 17839 1232 1 4 . 1 1 48 48 GLU C C 48 179.201 179.201 178.951 0.250 17839 1233 1 4 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.783 0.289 17839 1234 1 4 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.510 0.151 17839 1235 1 4 . 1 1 48 48 GLU H H 48 7.732 7.732 7.508 0.224 17839 1236 1 4 . 1 1 49 49 ILE N N 49 120.605 120.605 119.227 1.378 17839 1237 1 4 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.314 -0.734 17839 1238 1 4 . 1 1 49 49 ILE C C 49 178.704 178.704 178.078 0.626 17839 1239 1 4 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.079 0.922 17839 1240 1 4 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.167 0.796 17839 1241 1 4 . 1 1 49 49 ILE H H 49 8.551 8.551 7.839 0.712 17839 1242 1 4 . 1 1 50 50 LYS N N 50 119.061 119.061 118.846 0.215 17839 1243 1 4 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.125 -0.416 17839 1244 1 4 . 1 1 50 50 LYS C C 50 177.753 177.753 178.247 -0.494 17839 1245 1 4 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.772 0.892 17839 1246 1 4 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.855 -0.702 17839 1247 1 4 . 1 1 50 50 LYS H H 50 7.567 7.567 7.767 -0.200 17839 1248 1 4 . 1 1 51 51 THR N N 51 109.727 109.727 113.422 -3.695 17839 1249 1 4 . 1 1 51 51 THR HA H 51 4.148 4.148 4.451 -0.303 17839 1250 1 4 . 1 1 51 51 THR C C 51 175.440 175.440 175.049 0.391 17839 1251 1 4 . 1 1 51 51 THR CA C 51 63.347 63.347 63.756 -0.409 17839 1252 1 4 . 1 1 51 51 THR CB C 51 69.707 69.707 70.556 -0.849 17839 1253 1 4 . 1 1 51 51 THR H H 51 7.426 7.426 7.720 -0.294 17839 1254 1 4 . 1 1 52 52 PHE N N 52 120.966 120.966 119.064 1.902 17839 1255 1 4 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.170 0.338 17839 1256 1 4 . 1 1 52 52 PHE C C 52 176.816 176.816 176.095 0.721 17839 1257 1 4 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.109 -2.149 17839 1258 1 4 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.372 0.152 17839 1259 1 4 . 1 1 52 52 PHE H H 52 7.446 7.446 8.709 -1.263 17839 1260 1 4 . 1 1 53 53 THR N N 53 114.357 114.357 110.666 3.691 17839 1261 1 4 . 1 1 53 53 THR HA H 53 4.223 4.223 3.809 0.414 17839 1262 1 4 . 1 1 53 53 THR C C 53 180.987 180.987 174.717 6.270 17839 1263 1 4 . 1 1 53 53 THR CA C 53 58.214 58.214 65.364 -7.150 17839 1264 1 4 . 1 1 53 53 THR CB C 53 70.157 70.157 68.444 1.713 17839 1265 1 4 . 1 1 53 53 THR H H 53 7.953 7.953 8.312 -0.359 17839 1266 1 4 . 1 1 54 54 VAL N N 54 122.097 122.097 116.805 5.292 17839 1267 1 4 . 1 1 54 54 VAL HA H 54 4.102 4.102 3.956 0.146 17839 1268 1 4 . 1 1 54 54 VAL C C 54 179.509 179.509 175.510 3.999 17839 1269 1 4 . 1 1 54 54 VAL CA C 54 62.553 62.553 63.890 -1.337 17839 1270 1 4 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.395 0.327 17839 1271 1 4 . 1 1 54 54 VAL H H 54 8.045 8.045 8.205 -0.160 17839 1272 1 4 . 1 1 55 55 THR N N 55 118.590 118.590 112.565 6.025 17839 1273 1 4 . 1 1 55 55 THR HA H 55 4.235 4.235 4.518 -0.283 17839 1274 1 4 . 1 1 55 55 THR CA C 55 61.732 61.732 62.241 -0.509 17839 1275 1 4 . 1 1 55 55 THR CB C 55 69.869 69.869 69.730 0.139 17839 1276 1 4 . 1 1 55 55 THR H H 55 8.209 8.209 8.102 0.107 17839 1277 1 5 . 1 1 2 2 THR N N 2 128.640 128.640 120.256 8.384 17839 1278 1 5 . 1 1 2 2 THR HA H 2 4.125 4.125 4.652 -0.527 17839 1279 1 5 . 1 1 2 2 THR C C 2 173.743 173.743 174.112 -0.369 17839 1280 1 5 . 1 1 2 2 THR CA C 2 61.651 61.651 61.703 -0.052 17839 1281 1 5 . 1 1 2 2 THR CB C 2 69.626 69.626 69.627 -0.001 17839 1282 1 5 . 1 1 2 2 THR H H 2 7.994 7.994 8.261 -0.267 17839 1283 1 5 . 1 1 3 3 TYR N N 3 124.112 124.112 122.686 1.426 17839 1284 1 5 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.504 -0.322 17839 1285 1 5 . 1 1 3 3 TYR C C 3 175.675 175.675 176.738 -1.063 17839 1286 1 5 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.958 0.342 17839 1287 1 5 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.991 -1.473 17839 1288 1 5 . 1 1 3 3 TYR H H 3 8.325 8.325 8.461 -0.136 17839 1289 1 5 . 1 1 4 4 LYS N N 4 122.769 122.769 122.201 0.568 17839 1290 1 5 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.211 -0.328 17839 1291 1 5 . 1 1 4 4 LYS C C 4 175.923 175.923 175.917 0.006 17839 1292 1 5 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.598 -0.175 17839 1293 1 5 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.830 -0.063 17839 1294 1 5 . 1 1 4 4 LYS H H 4 8.027 8.027 7.855 0.172 17839 1295 1 5 . 1 1 5 5 LEU N N 5 122.314 122.314 117.311 5.003 17839 1296 1 5 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.436 -0.376 17839 1297 1 5 . 1 1 5 5 LEU C C 5 177.167 177.167 176.382 0.785 17839 1298 1 5 . 1 1 5 5 LEU CA C 5 55.289 55.289 56.281 -0.992 17839 1299 1 5 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.201 -0.186 17839 1300 1 5 . 1 1 5 5 LEU H H 5 7.919 7.919 8.271 -0.352 17839 1301 1 5 . 1 1 6 6 ILE N N 6 122.789 122.789 118.795 3.994 17839 1302 1 5 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.109 -0.244 17839 1303 1 5 . 1 1 6 6 ILE C C 6 176.231 176.231 176.421 -0.190 17839 1304 1 5 . 1 1 6 6 ILE CA C 6 61.390 61.390 60.282 1.108 17839 1305 1 5 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.622 -0.763 17839 1306 1 5 . 1 1 6 6 ILE H H 6 7.998 7.998 7.657 0.341 17839 1307 1 5 . 1 1 7 7 LEU N N 7 125.831 125.831 124.234 1.597 17839 1308 1 5 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.009 0.171 17839 1309 1 5 . 1 1 7 7 LEU C C 7 177.079 177.079 175.982 1.097 17839 1310 1 5 . 1 1 7 7 LEU CA C 7 55.056 55.056 56.204 -1.148 17839 1311 1 5 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.422 1.296 17839 1312 1 5 . 1 1 7 7 LEU H H 7 8.099 8.099 8.770 -0.671 17839 1313 1 5 . 1 1 8 8 ASN N N 8 118.052 118.052 116.352 1.700 17839 1314 1 5 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.925 -0.451 17839 1315 1 5 . 1 1 8 8 ASN C C 8 175.250 175.250 175.950 -0.700 17839 1316 1 5 . 1 1 8 8 ASN CA C 8 52.483 52.483 53.050 -0.567 17839 1317 1 5 . 1 1 8 8 ASN CB C 8 38.877 38.877 39.379 -0.502 17839 1318 1 5 . 1 1 8 8 ASN H H 8 8.058 8.058 8.210 -0.152 17839 1319 1 5 . 1 1 9 9 LEU N N 9 121.908 121.908 122.469 -0.561 17839 1320 1 5 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.154 -0.502 17839 1321 1 5 . 1 1 9 9 LEU C C 9 177.065 177.065 178.067 -1.002 17839 1322 1 5 . 1 1 9 9 LEU CA C 9 58.524 58.524 58.558 -0.034 17839 1323 1 5 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.159 -0.209 17839 1324 1 5 . 1 1 9 9 LEU H H 9 8.251 8.251 8.333 -0.082 17839 1325 1 5 . 1 1 10 10 LYS N N 10 118.870 118.870 120.285 -1.415 17839 1326 1 5 . 1 1 10 10 LYS HA H 10 3.660 3.660 4.049 -0.389 17839 1327 1 5 . 1 1 10 10 LYS C C 10 178.689 178.689 178.718 -0.029 17839 1328 1 5 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.758 0.042 17839 1329 1 5 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.417 0.852 17839 1330 1 5 . 1 1 10 10 LYS H H 10 7.940 7.940 8.461 -0.521 17839 1331 1 5 . 1 1 11 11 GLN N N 11 117.959 117.959 116.400 1.559 17839 1332 1 5 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.209 -0.312 17839 1333 1 5 . 1 1 11 11 GLN C C 11 179.084 179.084 178.288 0.796 17839 1334 1 5 . 1 1 11 11 GLN CA C 11 59.185 59.185 59.175 0.010 17839 1335 1 5 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.340 1.131 17839 1336 1 5 . 1 1 11 11 GLN H H 11 7.549 7.549 8.785 -1.236 17839 1337 1 5 . 1 1 12 12 ALA N N 12 122.975 122.975 121.618 1.357 17839 1338 1 5 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.480 0.423 17839 1339 1 5 . 1 1 12 12 ALA C C 12 179.596 179.596 178.877 0.719 17839 1340 1 5 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.263 1.160 17839 1341 1 5 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.100 0.116 17839 1342 1 5 . 1 1 12 12 ALA H H 12 8.363 8.363 7.551 0.812 17839 1343 1 5 . 1 1 13 13 LYS N N 13 116.930 116.930 120.274 -3.344 17839 1344 1 5 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.034 -0.697 17839 1345 1 5 . 1 1 13 13 LYS C C 13 177.621 177.621 178.497 -0.876 17839 1346 1 5 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.284 1.403 17839 1347 1 5 . 1 1 13 13 LYS CB C 13 32.883 32.883 32.054 0.829 17839 1348 1 5 . 1 1 13 13 LYS H H 13 8.097 8.097 8.367 -0.270 17839 1349 1 5 . 1 1 14 14 GLU N N 14 116.977 116.977 118.127 -1.150 17839 1350 1 5 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.085 -0.371 17839 1351 1 5 . 1 1 14 14 GLU C C 14 180.065 180.065 178.419 1.646 17839 1352 1 5 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.014 0.570 17839 1353 1 5 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.021 0.168 17839 1354 1 5 . 1 1 14 14 GLU H H 14 7.582 7.582 8.205 -0.623 17839 1355 1 5 . 1 1 15 15 GLU N N 15 119.464 119.464 120.350 -0.886 17839 1356 1 5 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.752 0.157 17839 1357 1 5 . 1 1 15 15 GLU C C 15 178.367 178.367 178.724 -0.357 17839 1358 1 5 . 1 1 15 15 GLU CA C 15 58.599 58.599 58.977 -0.378 17839 1359 1 5 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.517 0.518 17839 1360 1 5 . 1 1 15 15 GLU H H 15 8.313 8.313 7.418 0.895 17839 1361 1 5 . 1 1 16 16 ALA N N 16 122.073 122.073 120.986 1.087 17839 1362 1 5 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.114 -0.336 17839 1363 1 5 . 1 1 16 16 ALA C C 16 179.245 179.245 179.539 -0.294 17839 1364 1 5 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.003 0.329 17839 1365 1 5 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.561 0.195 17839 1366 1 5 . 1 1 16 16 ALA H H 16 8.427 8.427 7.472 0.955 17839 1367 1 5 . 1 1 17 17 ILE N N 17 117.151 117.151 119.631 -2.480 17839 1368 1 5 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.526 -0.427 17839 1369 1 5 . 1 1 17 17 ILE C C 17 177.196 177.196 178.009 -0.813 17839 1370 1 5 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.591 -0.522 17839 1371 1 5 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.706 -1.072 17839 1372 1 5 . 1 1 17 17 ILE H H 17 8.177 8.177 7.544 0.633 17839 1373 1 5 . 1 1 18 18 LYS N N 18 119.317 119.317 119.634 -0.317 17839 1374 1 5 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.888 -0.219 17839 1375 1 5 . 1 1 18 18 LYS C C 18 178.279 178.279 179.125 -0.846 17839 1376 1 5 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.119 -0.144 17839 1377 1 5 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.315 -0.300 17839 1378 1 5 . 1 1 18 18 LYS H H 18 7.525 7.525 8.452 -0.927 17839 1379 1 5 . 1 1 19 19 GLU N N 19 119.267 119.267 118.800 0.467 17839 1380 1 5 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.072 -0.147 17839 1381 1 5 . 1 1 19 19 GLU C C 19 178.104 178.104 179.194 -1.090 17839 1382 1 5 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.041 -0.136 17839 1383 1 5 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.596 -1.065 17839 1384 1 5 . 1 1 19 19 GLU H H 19 8.226 8.226 7.631 0.595 17839 1385 1 5 . 1 1 20 20 LEU N N 20 120.447 120.447 120.504 -0.057 17839 1386 1 5 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.154 -0.231 17839 1387 1 5 . 1 1 20 20 LEU C C 20 179.991 179.991 179.628 0.363 17839 1388 1 5 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.193 -0.091 17839 1389 1 5 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.225 -1.400 17839 1390 1 5 . 1 1 20 20 LEU H H 20 8.018 8.018 8.482 -0.464 17839 1391 1 5 . 1 1 21 21 VAL N N 21 124.479 124.479 118.594 5.885 17839 1392 1 5 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.700 0.118 17839 1393 1 5 . 1 1 21 21 VAL C C 21 177.431 177.431 177.495 -0.064 17839 1394 1 5 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.714 0.665 17839 1395 1 5 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.246 0.741 17839 1396 1 5 . 1 1 21 21 VAL H H 21 9.048 9.048 8.073 0.975 17839 1397 1 5 . 1 1 22 22 ASP N N 22 121.941 121.941 118.951 2.990 17839 1398 1 5 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.546 -0.602 17839 1399 1 5 . 1 1 22 22 ASP C C 22 179.713 179.713 175.631 4.082 17839 1400 1 5 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.523 1.593 17839 1401 1 5 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.386 -1.886 17839 1402 1 5 . 1 1 22 22 ASP H H 22 8.077 8.077 7.799 0.278 17839 1403 1 5 . 1 1 23 23 ALA N N 23 116.831 116.831 120.313 -3.482 17839 1404 1 5 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.521 -0.341 17839 1405 1 5 . 1 1 23 23 ALA C C 23 177.855 177.855 176.337 1.518 17839 1406 1 5 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.115 1.185 17839 1407 1 5 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.689 -2.699 17839 1408 1 5 . 1 1 23 23 ALA H H 23 6.897 6.897 6.970 -0.073 17839 1409 1 5 . 1 1 24 24 GLY N N 24 107.830 107.830 108.636 -0.806 17839 1410 1 5 . 1 1 24 24 GLY C C 24 174.665 174.665 173.873 0.792 17839 1411 1 5 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.113 -0.302 17839 1412 1 5 . 1 1 24 24 GLY H H 24 8.002 8.002 8.482 -0.480 17839 1413 1 5 . 1 1 25 25 THR N N 25 117.914 117.914 117.568 0.346 17839 1414 1 5 . 1 1 25 25 THR HA H 25 3.818 3.818 4.456 -0.638 17839 1415 1 5 . 1 1 25 25 THR C C 25 173.187 173.187 173.046 0.141 17839 1416 1 5 . 1 1 25 25 THR CA C 25 64.001 64.001 60.820 3.181 17839 1417 1 5 . 1 1 25 25 THR CB C 25 69.674 69.674 71.260 -1.586 17839 1418 1 5 . 1 1 25 25 THR H H 25 7.784 7.784 8.071 -0.287 17839 1419 1 5 . 1 1 26 26 ALA N N 26 128.480 128.480 124.015 4.465 17839 1420 1 5 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.712 -0.715 17839 1421 1 5 . 1 1 26 26 ALA C C 26 177.884 177.884 177.674 0.210 17839 1422 1 5 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.288 1.821 17839 1423 1 5 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.768 -0.900 17839 1424 1 5 . 1 1 26 26 ALA H H 26 8.749 8.749 8.906 -0.157 17839 1425 1 5 . 1 1 27 27 GLU N N 27 120.909 120.909 124.924 -4.015 17839 1426 1 5 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.563 -1.324 17839 1427 1 5 . 1 1 27 27 GLU C C 27 178.631 178.631 177.143 1.488 17839 1428 1 5 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.199 -1.361 17839 1429 1 5 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.430 0.488 17839 1430 1 5 . 1 1 27 27 GLU H H 27 8.150 8.150 9.017 -0.867 17839 1431 1 5 . 1 1 28 28 LYS N N 28 117.447 117.447 117.260 0.187 17839 1432 1 5 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.771 0.018 17839 1433 1 5 . 1 1 28 28 LYS C C 28 177.211 177.211 178.964 -1.753 17839 1434 1 5 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.992 0.098 17839 1435 1 5 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.966 0.030 17839 1436 1 5 . 1 1 28 28 LYS H H 28 7.989 7.989 8.096 -0.107 17839 1437 1 5 . 1 1 29 29 TYR N N 29 116.462 116.462 119.019 -2.557 17839 1438 1 5 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.137 0.250 17839 1439 1 5 . 1 1 29 29 TYR C C 29 177.313 177.313 177.804 -0.491 17839 1440 1 5 . 1 1 29 29 TYR CA C 29 59.358 59.358 61.210 -1.852 17839 1441 1 5 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.331 1.125 17839 1442 1 5 . 1 1 29 29 TYR H H 29 7.273 7.273 8.141 -0.868 17839 1443 1 5 . 1 1 30 30 PHE N N 30 119.334 119.334 117.029 2.305 17839 1444 1 5 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.303 -0.223 17839 1445 1 5 . 1 1 30 30 PHE C C 30 178.762 178.762 177.370 1.392 17839 1446 1 5 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.148 -0.576 17839 1447 1 5 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.742 4.379 17839 1448 1 5 . 1 1 30 30 PHE H H 30 7.991 7.991 7.532 0.459 17839 1449 1 5 . 1 1 31 31 LYS N N 31 118.612 118.612 120.060 -1.448 17839 1450 1 5 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.306 -0.402 17839 1451 1 5 . 1 1 31 31 LYS C C 31 177.694 177.694 179.023 -1.329 17839 1452 1 5 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.984 -0.364 17839 1453 1 5 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.313 -0.761 17839 1454 1 5 . 1 1 31 31 LYS H H 31 7.916 7.916 7.145 0.771 17839 1455 1 5 . 1 1 32 32 LEU N N 32 117.737 117.737 120.432 -2.695 17839 1456 1 5 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.089 -0.324 17839 1457 1 5 . 1 1 32 32 LEU C C 32 177.021 177.021 178.995 -1.974 17839 1458 1 5 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.789 -0.448 17839 1459 1 5 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.526 -1.109 17839 1460 1 5 . 1 1 32 32 LEU H H 32 7.316 7.316 7.576 -0.260 17839 1461 1 5 . 1 1 33 33 ILE N N 33 119.064 119.064 116.042 3.022 17839 1462 1 5 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.833 -0.181 17839 1463 1 5 . 1 1 33 33 ILE C C 33 177.489 177.489 178.020 -0.531 17839 1464 1 5 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.570 -2.785 17839 1465 1 5 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.258 -1.556 17839 1466 1 5 . 1 1 33 33 ILE H H 33 7.620 7.620 8.536 -0.916 17839 1467 1 5 . 1 1 34 34 ALA N N 34 119.319 119.319 121.749 -2.430 17839 1468 1 5 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.013 -0.233 17839 1469 1 5 . 1 1 34 34 ALA C C 34 179.128 179.128 178.574 0.554 17839 1470 1 5 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.816 0.036 17839 1471 1 5 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.288 -0.038 17839 1472 1 5 . 1 1 34 34 ALA H H 34 7.594 7.594 7.894 -0.300 17839 1473 1 5 . 1 1 35 35 ASN N N 35 112.212 112.212 115.912 -3.700 17839 1474 1 5 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.615 -0.122 17839 1475 1 5 . 1 1 35 35 ASN C C 35 175.265 175.265 175.720 -0.455 17839 1476 1 5 . 1 1 35 35 ASN CA C 35 52.596 52.596 54.122 -1.526 17839 1477 1 5 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.097 -0.190 17839 1478 1 5 . 1 1 35 35 ASN H H 35 7.264 7.264 7.724 -0.460 17839 1479 1 5 . 1 1 36 36 ALA N N 36 124.435 124.435 122.571 1.864 17839 1480 1 5 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.191 -0.182 17839 1481 1 5 . 1 1 36 36 ALA C C 36 177.826 177.826 176.990 0.836 17839 1482 1 5 . 1 1 36 36 ALA CA C 36 53.137 53.137 53.299 -0.162 17839 1483 1 5 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.320 0.197 17839 1484 1 5 . 1 1 36 36 ALA H H 36 7.270 7.270 7.668 -0.398 17839 1485 1 5 . 1 1 37 37 LYS N N 37 116.671 116.671 118.213 -1.542 17839 1486 1 5 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.536 -0.363 17839 1487 1 5 . 1 1 37 37 LYS C C 37 176.772 176.772 175.344 1.428 17839 1488 1 5 . 1 1 37 37 LYS CA C 37 56.537 56.537 56.300 0.237 17839 1489 1 5 . 1 1 37 37 LYS CB C 37 34.899 34.899 33.223 1.676 17839 1490 1 5 . 1 1 37 37 LYS H H 37 8.682 8.682 8.386 0.296 17839 1491 1 5 . 1 1 38 38 THR N N 38 106.220 106.220 108.741 -2.521 17839 1492 1 5 . 1 1 38 38 THR HA H 38 4.541 4.541 4.813 -0.272 17839 1493 1 5 . 1 1 38 38 THR C C 38 173.816 173.816 174.599 -0.783 17839 1494 1 5 . 1 1 38 38 THR CA C 38 58.209 58.209 59.748 -1.539 17839 1495 1 5 . 1 1 38 38 THR CB C 38 72.726 72.726 72.410 0.316 17839 1496 1 5 . 1 1 38 38 THR H H 38 7.232 7.232 7.579 -0.347 17839 1497 1 5 . 1 1 39 39 VAL N N 39 122.896 122.896 120.883 2.013 17839 1498 1 5 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.963 -1.085 17839 1499 1 5 . 1 1 39 39 VAL C C 39 176.655 176.655 177.475 -0.820 17839 1500 1 5 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.719 1.399 17839 1501 1 5 . 1 1 39 39 VAL CB C 39 31.260 31.260 30.907 0.353 17839 1502 1 5 . 1 1 39 39 VAL H H 39 8.835 8.835 8.988 -0.153 17839 1503 1 5 . 1 1 40 40 GLU N N 40 117.945 117.945 119.572 -1.627 17839 1504 1 5 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.134 -0.352 17839 1505 1 5 . 1 1 40 40 GLU C C 40 179.362 179.362 179.214 0.148 17839 1506 1 5 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.767 0.157 17839 1507 1 5 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.857 -0.601 17839 1508 1 5 . 1 1 40 40 GLU H H 40 8.735 8.735 9.042 -0.307 17839 1509 1 5 . 1 1 41 41 GLY N N 41 108.576 108.576 108.188 0.388 17839 1510 1 5 . 1 1 41 41 GLY C C 41 176.275 176.275 175.988 0.287 17839 1511 1 5 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.818 -0.513 17839 1512 1 5 . 1 1 41 41 GLY H H 41 8.019 8.019 7.756 0.263 17839 1513 1 5 . 1 1 42 42 VAL N N 42 122.823 122.823 122.118 0.705 17839 1514 1 5 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.837 -0.094 17839 1515 1 5 . 1 1 42 42 VAL C C 42 177.211 177.211 177.710 -0.499 17839 1516 1 5 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.469 0.848 17839 1517 1 5 . 1 1 42 42 VAL CB C 42 30.233 30.233 32.083 -1.850 17839 1518 1 5 . 1 1 42 42 VAL H H 42 7.705 7.705 7.544 0.161 17839 1519 1 5 . 1 1 43 43 TRP N N 43 119.439 119.439 118.384 1.055 17839 1520 1 5 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.423 -0.111 17839 1521 1 5 . 1 1 43 43 TRP C C 43 178.879 178.879 178.766 0.113 17839 1522 1 5 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.486 -2.253 17839 1523 1 5 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.250 -0.447 17839 1524 1 5 . 1 1 43 43 TRP H H 43 7.497 7.497 9.086 -1.589 17839 1525 1 5 . 1 1 44 44 THR N N 44 115.130 115.130 115.828 -0.698 17839 1526 1 5 . 1 1 44 44 THR HA H 44 3.877 3.877 4.536 -0.659 17839 1527 1 5 . 1 1 44 44 THR C C 44 177.299 177.299 176.667 0.632 17839 1528 1 5 . 1 1 44 44 THR CA C 44 66.178 66.178 65.043 1.135 17839 1529 1 5 . 1 1 44 44 THR CB C 44 68.938 68.938 68.595 0.343 17839 1530 1 5 . 1 1 44 44 THR H H 44 8.278 8.278 7.657 0.621 17839 1531 1 5 . 1 1 45 45 LEU N N 45 123.159 123.159 122.447 0.712 17839 1532 1 5 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.981 -0.042 17839 1533 1 5 . 1 1 45 45 LEU C C 45 178.235 178.235 178.765 -0.530 17839 1534 1 5 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.399 -0.752 17839 1535 1 5 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.663 0.644 17839 1536 1 5 . 1 1 45 45 LEU H H 45 7.835 7.835 7.747 0.088 17839 1537 1 5 . 1 1 46 46 LYS N N 46 119.348 119.348 119.440 -0.092 17839 1538 1 5 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.907 -0.387 17839 1539 1 5 . 1 1 46 46 LYS C C 46 177.518 177.518 178.266 -0.748 17839 1540 1 5 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.956 0.602 17839 1541 1 5 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.916 -1.691 17839 1542 1 5 . 1 1 46 46 LYS H H 46 8.521 8.521 8.184 0.337 17839 1543 1 5 . 1 1 47 47 ASP N N 47 117.390 117.390 118.233 -0.843 17839 1544 1 5 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.411 -0.675 17839 1545 1 5 . 1 1 47 47 ASP C C 47 178.689 178.689 178.416 0.273 17839 1546 1 5 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.895 -0.756 17839 1547 1 5 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.275 -0.479 17839 1548 1 5 . 1 1 47 47 ASP H H 47 7.450 7.450 7.699 -0.249 17839 1549 1 5 . 1 1 48 48 GLU N N 48 121.902 121.902 118.604 3.298 17839 1550 1 5 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.071 -0.311 17839 1551 1 5 . 1 1 48 48 GLU C C 48 179.201 179.201 178.560 0.641 17839 1552 1 5 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.159 -0.087 17839 1553 1 5 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.422 0.239 17839 1554 1 5 . 1 1 48 48 GLU H H 48 7.732 7.732 7.540 0.192 17839 1555 1 5 . 1 1 49 49 ILE N N 49 120.605 120.605 117.845 2.760 17839 1556 1 5 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.144 -0.564 17839 1557 1 5 . 1 1 49 49 ILE C C 49 178.704 178.704 177.686 1.018 17839 1558 1 5 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.904 1.097 17839 1559 1 5 . 1 1 49 49 ILE CB C 49 37.963 37.963 36.822 1.141 17839 1560 1 5 . 1 1 49 49 ILE H H 49 8.551 8.551 7.260 1.291 17839 1561 1 5 . 1 1 50 50 LYS N N 50 119.061 119.061 118.776 0.285 17839 1562 1 5 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.241 -0.532 17839 1563 1 5 . 1 1 50 50 LYS C C 50 177.753 177.753 178.003 -0.250 17839 1564 1 5 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.279 1.385 17839 1565 1 5 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.177 -1.024 17839 1566 1 5 . 1 1 50 50 LYS H H 50 7.567 7.567 7.611 -0.044 17839 1567 1 5 . 1 1 51 51 THR N N 51 109.727 109.727 113.308 -3.581 17839 1568 1 5 . 1 1 51 51 THR HA H 51 4.148 4.148 4.306 -0.158 17839 1569 1 5 . 1 1 51 51 THR C C 51 175.440 175.440 175.555 -0.115 17839 1570 1 5 . 1 1 51 51 THR CA C 51 63.347 63.347 64.524 -1.177 17839 1571 1 5 . 1 1 51 51 THR CB C 51 69.707 69.707 70.252 -0.545 17839 1572 1 5 . 1 1 51 51 THR H H 51 7.426 7.426 7.611 -0.185 17839 1573 1 5 . 1 1 52 52 PHE N N 52 120.966 120.966 118.464 2.502 17839 1574 1 5 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.110 0.398 17839 1575 1 5 . 1 1 52 52 PHE C C 52 176.816 176.816 175.439 1.377 17839 1576 1 5 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.985 -2.025 17839 1577 1 5 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.492 0.032 17839 1578 1 5 . 1 1 52 52 PHE H H 52 7.446 7.446 8.649 -1.203 17839 1579 1 5 . 1 1 53 53 THR N N 53 114.357 114.357 112.403 1.954 17839 1580 1 5 . 1 1 53 53 THR HA H 53 4.223 4.223 4.043 0.180 17839 1581 1 5 . 1 1 53 53 THR C C 53 180.987 180.987 175.759 5.228 17839 1582 1 5 . 1 1 53 53 THR CA C 53 58.214 58.214 65.117 -6.903 17839 1583 1 5 . 1 1 53 53 THR CB C 53 70.157 70.157 68.838 1.319 17839 1584 1 5 . 1 1 53 53 THR H H 53 7.953 7.953 8.277 -0.324 17839 1585 1 5 . 1 1 54 54 VAL N N 54 122.097 122.097 119.944 2.153 17839 1586 1 5 . 1 1 54 54 VAL HA H 54 4.102 4.102 3.775 0.327 17839 1587 1 5 . 1 1 54 54 VAL C C 54 179.509 179.509 176.385 3.124 17839 1588 1 5 . 1 1 54 54 VAL CA C 54 62.553 62.553 65.361 -2.808 17839 1589 1 5 . 1 1 54 54 VAL CB C 54 32.722 32.722 31.697 1.025 17839 1590 1 5 . 1 1 54 54 VAL H H 54 8.045 8.045 7.979 0.066 17839 1591 1 5 . 1 1 55 55 THR N N 55 118.590 118.590 113.596 4.994 17839 1592 1 5 . 1 1 55 55 THR HA H 55 4.235 4.235 4.295 -0.060 17839 1593 1 5 . 1 1 55 55 THR CA C 55 61.732 61.732 62.483 -0.751 17839 1594 1 5 . 1 1 55 55 THR CB C 55 69.869 69.869 69.737 0.132 17839 1595 1 5 . 1 1 55 55 THR H H 55 8.209 8.209 7.701 0.508 17839 1596 1 6 . 1 1 2 2 THR N N 2 128.640 128.640 117.795 10.845 17839 1597 1 6 . 1 1 2 2 THR HA H 2 4.125 4.125 4.079 0.046 17839 1598 1 6 . 1 1 2 2 THR C C 2 173.743 173.743 172.827 0.916 17839 1599 1 6 . 1 1 2 2 THR CA C 2 61.651 61.651 62.223 -0.572 17839 1600 1 6 . 1 1 2 2 THR CB C 2 69.626 69.626 69.020 0.606 17839 1601 1 6 . 1 1 2 2 THR H H 2 7.994 7.994 8.084 -0.090 17839 1602 1 6 . 1 1 3 3 TYR N N 3 124.112 124.112 119.329 4.783 17839 1603 1 6 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.395 -0.213 17839 1604 1 6 . 1 1 3 3 TYR C C 3 175.675 175.675 175.610 0.065 17839 1605 1 6 . 1 1 3 3 TYR CA C 3 58.300 58.300 58.849 -0.549 17839 1606 1 6 . 1 1 3 3 TYR CB C 3 38.518 38.518 37.517 1.001 17839 1607 1 6 . 1 1 3 3 TYR H H 3 8.325 8.325 8.452 -0.127 17839 1608 1 6 . 1 1 4 4 LYS N N 4 122.769 122.769 118.021 4.748 17839 1609 1 6 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.224 -0.341 17839 1610 1 6 . 1 1 4 4 LYS C C 4 175.923 175.923 176.196 -0.273 17839 1611 1 6 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.441 -0.018 17839 1612 1 6 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.797 -0.030 17839 1613 1 6 . 1 1 4 4 LYS H H 4 8.027 8.027 8.128 -0.101 17839 1614 1 6 . 1 1 5 5 LEU N N 5 122.314 122.314 119.525 2.789 17839 1615 1 6 . 1 1 5 5 LEU HA H 5 4.060 4.060 3.952 0.108 17839 1616 1 6 . 1 1 5 5 LEU C C 5 177.167 177.167 175.707 1.460 17839 1617 1 6 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.092 0.197 17839 1618 1 6 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.925 1.090 17839 1619 1 6 . 1 1 5 5 LEU H H 5 7.919 7.919 7.659 0.260 17839 1620 1 6 . 1 1 6 6 ILE N N 6 122.789 122.789 119.741 3.048 17839 1621 1 6 . 1 1 6 6 ILE HA H 6 3.865 3.865 3.908 -0.043 17839 1622 1 6 . 1 1 6 6 ILE C C 6 176.231 176.231 176.093 0.138 17839 1623 1 6 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.651 -0.261 17839 1624 1 6 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.373 -0.514 17839 1625 1 6 . 1 1 6 6 ILE H H 6 7.998 7.998 7.657 0.341 17839 1626 1 6 . 1 1 7 7 LEU N N 7 125.831 125.831 130.653 -4.822 17839 1627 1 6 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.395 -0.215 17839 1628 1 6 . 1 1 7 7 LEU C C 7 177.079 177.079 176.264 0.815 17839 1629 1 6 . 1 1 7 7 LEU CA C 7 55.056 55.056 55.035 0.021 17839 1630 1 6 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.890 0.828 17839 1631 1 6 . 1 1 7 7 LEU H H 7 8.099 8.099 8.314 -0.215 17839 1632 1 6 . 1 1 8 8 ASN N N 8 118.052 118.052 120.906 -2.854 17839 1633 1 6 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.901 -0.427 17839 1634 1 6 . 1 1 8 8 ASN C C 8 175.250 175.250 175.118 0.132 17839 1635 1 6 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.352 0.131 17839 1636 1 6 . 1 1 8 8 ASN CB C 8 38.877 38.877 42.002 -3.125 17839 1637 1 6 . 1 1 8 8 ASN H H 8 8.058 8.058 8.247 -0.189 17839 1638 1 6 . 1 1 9 9 LEU N N 9 121.908 121.908 118.773 3.135 17839 1639 1 6 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.501 -0.849 17839 1640 1 6 . 1 1 9 9 LEU C C 9 177.065 177.065 177.845 -0.780 17839 1641 1 6 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.153 1.371 17839 1642 1 6 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.218 -0.268 17839 1643 1 6 . 1 1 9 9 LEU H H 9 8.251 8.251 8.470 -0.219 17839 1644 1 6 . 1 1 10 10 LYS N N 10 118.870 118.870 120.441 -1.571 17839 1645 1 6 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.848 -0.188 17839 1646 1 6 . 1 1 10 10 LYS C C 10 178.689 178.689 178.357 0.332 17839 1647 1 6 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.231 -0.431 17839 1648 1 6 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.297 0.972 17839 1649 1 6 . 1 1 10 10 LYS H H 10 7.940 7.940 8.584 -0.644 17839 1650 1 6 . 1 1 11 11 GLN N N 11 117.959 117.959 117.576 0.383 17839 1651 1 6 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.019 -0.122 17839 1652 1 6 . 1 1 11 11 GLN C C 11 179.084 179.084 178.284 0.800 17839 1653 1 6 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.515 0.670 17839 1654 1 6 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.102 1.369 17839 1655 1 6 . 1 1 11 11 GLN H H 11 7.549 7.549 8.416 -0.867 17839 1656 1 6 . 1 1 12 12 ALA N N 12 122.975 122.975 122.072 0.903 17839 1657 1 6 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.523 0.380 17839 1658 1 6 . 1 1 12 12 ALA C C 12 179.596 179.596 178.696 0.900 17839 1659 1 6 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.082 1.341 17839 1660 1 6 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.275 -0.059 17839 1661 1 6 . 1 1 12 12 ALA H H 12 8.363 8.363 8.605 -0.242 17839 1662 1 6 . 1 1 13 13 LYS N N 13 116.930 116.930 119.618 -2.688 17839 1663 1 6 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.002 -0.665 17839 1664 1 6 . 1 1 13 13 LYS C C 13 177.621 177.621 178.460 -0.839 17839 1665 1 6 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.326 1.361 17839 1666 1 6 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.913 0.970 17839 1667 1 6 . 1 1 13 13 LYS H H 13 8.097 8.097 7.797 0.300 17839 1668 1 6 . 1 1 14 14 GLU N N 14 116.977 116.977 118.542 -1.565 17839 1669 1 6 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.080 -0.366 17839 1670 1 6 . 1 1 14 14 GLU C C 14 180.065 180.065 178.694 1.371 17839 1671 1 6 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.244 0.340 17839 1672 1 6 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.072 0.117 17839 1673 1 6 . 1 1 14 14 GLU H H 14 7.582 7.582 8.487 -0.905 17839 1674 1 6 . 1 1 15 15 GLU N N 15 119.464 119.464 120.040 -0.576 17839 1675 1 6 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.796 0.113 17839 1676 1 6 . 1 1 15 15 GLU C C 15 178.367 178.367 178.672 -0.305 17839 1677 1 6 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.108 -0.508 17839 1678 1 6 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.442 0.593 17839 1679 1 6 . 1 1 15 15 GLU H H 15 8.313 8.313 7.359 0.954 17839 1680 1 6 . 1 1 16 16 ALA N N 16 122.073 122.073 121.369 0.704 17839 1681 1 6 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.043 -0.265 17839 1682 1 6 . 1 1 16 16 ALA C C 16 179.245 179.245 179.416 -0.171 17839 1683 1 6 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.108 0.225 17839 1684 1 6 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.568 0.188 17839 1685 1 6 . 1 1 16 16 ALA H H 16 8.427 8.427 7.518 0.909 17839 1686 1 6 . 1 1 17 17 ILE N N 17 117.151 117.151 119.612 -2.461 17839 1687 1 6 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.532 -0.433 17839 1688 1 6 . 1 1 17 17 ILE C C 17 177.196 177.196 177.986 -0.790 17839 1689 1 6 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.891 -0.822 17839 1690 1 6 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.773 -1.139 17839 1691 1 6 . 1 1 17 17 ILE H H 17 8.177 8.177 7.675 0.502 17839 1692 1 6 . 1 1 18 18 LYS N N 18 119.317 119.317 119.755 -0.438 17839 1693 1 6 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.896 -0.227 17839 1694 1 6 . 1 1 18 18 LYS C C 18 178.279 178.279 179.133 -0.854 17839 1695 1 6 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.004 -0.029 17839 1696 1 6 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.310 -0.295 17839 1697 1 6 . 1 1 18 18 LYS H H 18 7.525 7.525 8.354 -0.829 17839 1698 1 6 . 1 1 19 19 GLU N N 19 119.267 119.267 119.187 0.080 17839 1699 1 6 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.054 -0.129 17839 1700 1 6 . 1 1 19 19 GLU C C 19 178.104 178.104 179.300 -1.196 17839 1701 1 6 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.026 -0.121 17839 1702 1 6 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.574 -1.043 17839 1703 1 6 . 1 1 19 19 GLU H H 19 8.226 8.226 7.634 0.592 17839 1704 1 6 . 1 1 20 20 LEU N N 20 120.447 120.447 120.500 -0.053 17839 1705 1 6 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.160 -0.237 17839 1706 1 6 . 1 1 20 20 LEU C C 20 179.991 179.991 179.571 0.420 17839 1707 1 6 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.270 -0.168 17839 1708 1 6 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.184 -1.359 17839 1709 1 6 . 1 1 20 20 LEU H H 20 8.018 8.018 8.736 -0.718 17839 1710 1 6 . 1 1 21 21 VAL N N 21 124.479 124.479 118.793 5.686 17839 1711 1 6 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.750 0.068 17839 1712 1 6 . 1 1 21 21 VAL C C 21 177.431 177.431 177.355 0.076 17839 1713 1 6 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.156 1.223 17839 1714 1 6 . 1 1 21 21 VAL CB C 21 31.987 31.987 30.904 1.083 17839 1715 1 6 . 1 1 21 21 VAL H H 21 9.048 9.048 8.021 1.027 17839 1716 1 6 . 1 1 22 22 ASP N N 22 121.941 121.941 118.770 3.171 17839 1717 1 6 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.497 -0.553 17839 1718 1 6 . 1 1 22 22 ASP C C 22 179.713 179.713 175.733 3.980 17839 1719 1 6 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.383 1.733 17839 1720 1 6 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.875 -2.375 17839 1721 1 6 . 1 1 22 22 ASP H H 22 8.077 8.077 7.815 0.262 17839 1722 1 6 . 1 1 23 23 ALA N N 23 116.831 116.831 120.701 -3.870 17839 1723 1 6 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.524 -0.344 17839 1724 1 6 . 1 1 23 23 ALA C C 23 177.855 177.855 176.377 1.478 17839 1725 1 6 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.217 1.084 17839 1726 1 6 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.737 -2.747 17839 1727 1 6 . 1 1 23 23 ALA H H 23 6.897 6.897 6.983 -0.086 17839 1728 1 6 . 1 1 24 24 GLY N N 24 107.830 107.830 108.489 -0.659 17839 1729 1 6 . 1 1 24 24 GLY C C 24 174.665 174.665 173.956 0.709 17839 1730 1 6 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.440 -0.629 17839 1731 1 6 . 1 1 24 24 GLY H H 24 8.002 8.002 8.489 -0.487 17839 1732 1 6 . 1 1 25 25 THR N N 25 117.914 117.914 118.460 -0.546 17839 1733 1 6 . 1 1 25 25 THR HA H 25 3.818 3.818 4.593 -0.775 17839 1734 1 6 . 1 1 25 25 THR C C 25 173.187 173.187 173.501 -0.314 17839 1735 1 6 . 1 1 25 25 THR CA C 25 64.001 64.001 60.413 3.588 17839 1736 1 6 . 1 1 25 25 THR CB C 25 69.674 69.674 70.640 -0.966 17839 1737 1 6 . 1 1 25 25 THR H H 25 7.784 7.784 8.053 -0.269 17839 1738 1 6 . 1 1 26 26 ALA N N 26 128.480 128.480 124.115 4.365 17839 1739 1 6 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.791 -0.794 17839 1740 1 6 . 1 1 26 26 ALA C C 26 177.884 177.884 177.466 0.418 17839 1741 1 6 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.351 1.758 17839 1742 1 6 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.060 -1.192 17839 1743 1 6 . 1 1 26 26 ALA H H 26 8.749 8.749 8.926 -0.177 17839 1744 1 6 . 1 1 27 27 GLU N N 27 120.909 120.909 125.270 -4.361 17839 1745 1 6 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.465 -1.226 17839 1746 1 6 . 1 1 27 27 GLU C C 27 178.631 178.631 177.041 1.590 17839 1747 1 6 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.814 -1.976 17839 1748 1 6 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.446 0.472 17839 1749 1 6 . 1 1 27 27 GLU H H 27 8.150 8.150 9.029 -0.879 17839 1750 1 6 . 1 1 28 28 LYS N N 28 117.447 117.447 117.019 0.428 17839 1751 1 6 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.758 0.031 17839 1752 1 6 . 1 1 28 28 LYS C C 28 177.211 177.211 178.836 -1.625 17839 1753 1 6 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.190 -0.100 17839 1754 1 6 . 1 1 28 28 LYS CB C 28 30.996 30.996 31.042 -0.046 17839 1755 1 6 . 1 1 28 28 LYS H H 28 7.989 7.989 8.051 -0.062 17839 1756 1 6 . 1 1 29 29 TYR N N 29 116.462 116.462 119.016 -2.554 17839 1757 1 6 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.138 0.249 17839 1758 1 6 . 1 1 29 29 TYR C C 29 177.313 177.313 177.858 -0.545 17839 1759 1 6 . 1 1 29 29 TYR CA C 29 59.358 59.358 61.233 -1.875 17839 1760 1 6 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.384 1.072 17839 1761 1 6 . 1 1 29 29 TYR H H 29 7.273 7.273 8.094 -0.821 17839 1762 1 6 . 1 1 30 30 PHE N N 30 119.334 119.334 117.145 2.189 17839 1763 1 6 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.294 -0.214 17839 1764 1 6 . 1 1 30 30 PHE C C 30 178.762 178.762 177.240 1.522 17839 1765 1 6 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.011 -0.439 17839 1766 1 6 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.807 4.314 17839 1767 1 6 . 1 1 30 30 PHE H H 30 7.991 7.991 7.535 0.456 17839 1768 1 6 . 1 1 31 31 LYS N N 31 118.612 118.612 120.390 -1.778 17839 1769 1 6 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.284 -0.380 17839 1770 1 6 . 1 1 31 31 LYS C C 31 177.694 177.694 178.946 -1.252 17839 1771 1 6 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.032 -0.412 17839 1772 1 6 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.368 -0.816 17839 1773 1 6 . 1 1 31 31 LYS H H 31 7.916 7.916 7.246 0.670 17839 1774 1 6 . 1 1 32 32 LEU N N 32 117.737 117.737 119.879 -2.142 17839 1775 1 6 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.051 -0.285 17839 1776 1 6 . 1 1 32 32 LEU C C 32 177.021 177.021 178.826 -1.805 17839 1777 1 6 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.735 -0.394 17839 1778 1 6 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.474 -1.057 17839 1779 1 6 . 1 1 32 32 LEU H H 32 7.316 7.316 7.516 -0.200 17839 1780 1 6 . 1 1 33 33 ILE N N 33 119.064 119.064 114.847 4.217 17839 1781 1 6 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.921 -0.269 17839 1782 1 6 . 1 1 33 33 ILE C C 33 177.489 177.489 177.965 -0.476 17839 1783 1 6 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.997 -2.212 17839 1784 1 6 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.367 -1.665 17839 1785 1 6 . 1 1 33 33 ILE H H 33 7.620 7.620 8.170 -0.550 17839 1786 1 6 . 1 1 34 34 ALA N N 34 119.319 119.319 121.686 -2.367 17839 1787 1 6 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.997 -0.217 17839 1788 1 6 . 1 1 34 34 ALA C C 34 179.128 179.128 178.386 0.742 17839 1789 1 6 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.868 -0.016 17839 1790 1 6 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.173 0.077 17839 1791 1 6 . 1 1 34 34 ALA H H 34 7.594 7.594 7.885 -0.291 17839 1792 1 6 . 1 1 35 35 ASN N N 35 112.212 112.212 116.388 -4.176 17839 1793 1 6 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.625 -0.132 17839 1794 1 6 . 1 1 35 35 ASN C C 35 175.265 175.265 175.385 -0.120 17839 1795 1 6 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.701 -1.105 17839 1796 1 6 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.313 -0.406 17839 1797 1 6 . 1 1 35 35 ASN H H 35 7.264 7.264 7.863 -0.599 17839 1798 1 6 . 1 1 36 36 ALA N N 36 124.435 124.435 123.419 1.016 17839 1799 1 6 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.296 -0.287 17839 1800 1 6 . 1 1 36 36 ALA C C 36 177.826 177.826 177.204 0.622 17839 1801 1 6 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.645 0.492 17839 1802 1 6 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.507 0.010 17839 1803 1 6 . 1 1 36 36 ALA H H 36 7.270 7.270 7.638 -0.368 17839 1804 1 6 . 1 1 37 37 LYS N N 37 116.671 116.671 121.231 -4.560 17839 1805 1 6 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.213 -0.040 17839 1806 1 6 . 1 1 37 37 LYS C C 37 176.772 176.772 176.375 0.397 17839 1807 1 6 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.248 -0.711 17839 1808 1 6 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.757 2.142 17839 1809 1 6 . 1 1 37 37 LYS H H 37 8.682 8.682 8.645 0.037 17839 1810 1 6 . 1 1 38 38 THR N N 38 106.220 106.220 111.816 -5.596 17839 1811 1 6 . 1 1 38 38 THR HA H 38 4.541 4.541 4.559 -0.018 17839 1812 1 6 . 1 1 38 38 THR C C 38 173.816 173.816 175.516 -1.700 17839 1813 1 6 . 1 1 38 38 THR CA C 38 58.209 58.209 60.800 -2.591 17839 1814 1 6 . 1 1 38 38 THR CB C 38 72.726 72.726 70.703 2.023 17839 1815 1 6 . 1 1 38 38 THR H H 38 7.232 7.232 7.472 -0.240 17839 1816 1 6 . 1 1 39 39 VAL N N 39 122.896 122.896 122.889 0.007 17839 1817 1 6 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.930 -1.052 17839 1818 1 6 . 1 1 39 39 VAL C C 39 176.655 176.655 177.645 -0.990 17839 1819 1 6 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.000 2.118 17839 1820 1 6 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.259 0.001 17839 1821 1 6 . 1 1 39 39 VAL H H 39 8.835 8.835 8.736 0.099 17839 1822 1 6 . 1 1 40 40 GLU N N 40 117.945 117.945 120.744 -2.799 17839 1823 1 6 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.099 -0.317 17839 1824 1 6 . 1 1 40 40 GLU C C 40 179.362 179.362 179.212 0.150 17839 1825 1 6 . 1 1 40 40 GLU CA C 40 59.924 59.924 60.332 -0.408 17839 1826 1 6 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.633 -0.377 17839 1827 1 6 . 1 1 40 40 GLU H H 40 8.735 8.735 9.089 -0.354 17839 1828 1 6 . 1 1 41 41 GLY N N 41 108.576 108.576 107.095 1.481 17839 1829 1 6 . 1 1 41 41 GLY C C 41 176.275 176.275 175.666 0.609 17839 1830 1 6 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.928 -0.624 17839 1831 1 6 . 1 1 41 41 GLY H H 41 8.019 8.019 7.772 0.247 17839 1832 1 6 . 1 1 42 42 VAL N N 42 122.823 122.823 122.681 0.142 17839 1833 1 6 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.879 -0.136 17839 1834 1 6 . 1 1 42 42 VAL C C 42 177.211 177.211 177.879 -0.668 17839 1835 1 6 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.625 0.692 17839 1836 1 6 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.682 -1.449 17839 1837 1 6 . 1 1 42 42 VAL H H 42 7.705 7.705 7.699 0.006 17839 1838 1 6 . 1 1 43 43 TRP N N 43 119.439 119.439 118.532 0.907 17839 1839 1 6 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.383 -0.071 17839 1840 1 6 . 1 1 43 43 TRP C C 43 178.879 178.879 178.849 0.030 17839 1841 1 6 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.554 -2.321 17839 1842 1 6 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.008 -0.205 17839 1843 1 6 . 1 1 43 43 TRP H H 43 7.497 7.497 9.032 -1.535 17839 1844 1 6 . 1 1 44 44 THR N N 44 115.130 115.130 114.279 0.851 17839 1845 1 6 . 1 1 44 44 THR HA H 44 3.877 3.877 3.968 -0.091 17839 1846 1 6 . 1 1 44 44 THR C C 44 177.299 177.299 176.628 0.671 17839 1847 1 6 . 1 1 44 44 THR CA C 44 66.178 66.178 65.842 0.336 17839 1848 1 6 . 1 1 44 44 THR CB C 44 68.938 68.938 68.338 0.600 17839 1849 1 6 . 1 1 44 44 THR H H 44 8.278 8.278 7.734 0.544 17839 1850 1 6 . 1 1 45 45 LEU N N 45 123.159 123.159 123.042 0.117 17839 1851 1 6 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.968 -0.029 17839 1852 1 6 . 1 1 45 45 LEU C C 45 178.235 178.235 178.579 -0.344 17839 1853 1 6 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.530 -0.883 17839 1854 1 6 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.878 0.430 17839 1855 1 6 . 1 1 45 45 LEU H H 45 7.835 7.835 7.831 0.004 17839 1856 1 6 . 1 1 46 46 LYS N N 46 119.348 119.348 118.785 0.563 17839 1857 1 6 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.864 -0.344 17839 1858 1 6 . 1 1 46 46 LYS C C 46 177.518 177.518 178.523 -1.005 17839 1859 1 6 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.469 1.089 17839 1860 1 6 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.627 -1.401 17839 1861 1 6 . 1 1 46 46 LYS H H 46 8.521 8.521 7.891 0.630 17839 1862 1 6 . 1 1 47 47 ASP N N 47 117.390 117.390 118.333 -0.943 17839 1863 1 6 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.421 -0.685 17839 1864 1 6 . 1 1 47 47 ASP C C 47 178.689 178.689 178.248 0.441 17839 1865 1 6 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.661 -0.522 17839 1866 1 6 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.627 -0.831 17839 1867 1 6 . 1 1 47 47 ASP H H 47 7.450 7.450 7.855 -0.405 17839 1868 1 6 . 1 1 48 48 GLU N N 48 121.902 121.902 117.709 4.193 17839 1869 1 6 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.100 -0.340 17839 1870 1 6 . 1 1 48 48 GLU C C 48 179.201 179.201 178.654 0.547 17839 1871 1 6 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.685 0.387 17839 1872 1 6 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.463 0.198 17839 1873 1 6 . 1 1 48 48 GLU H H 48 7.732 7.732 7.549 0.183 17839 1874 1 6 . 1 1 49 49 ILE N N 49 120.605 120.605 118.779 1.826 17839 1875 1 6 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.217 -0.637 17839 1876 1 6 . 1 1 49 49 ILE C C 49 178.704 178.704 177.601 1.103 17839 1877 1 6 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.336 1.665 17839 1878 1 6 . 1 1 49 49 ILE CB C 49 37.963 37.963 36.982 0.981 17839 1879 1 6 . 1 1 49 49 ILE H H 49 8.551 8.551 7.989 0.562 17839 1880 1 6 . 1 1 50 50 LYS N N 50 119.061 119.061 119.080 -0.019 17839 1881 1 6 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.252 -0.543 17839 1882 1 6 . 1 1 50 50 LYS C C 50 177.753 177.753 177.988 -0.235 17839 1883 1 6 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.356 1.308 17839 1884 1 6 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.105 -0.952 17839 1885 1 6 . 1 1 50 50 LYS H H 50 7.567 7.567 7.555 0.012 17839 1886 1 6 . 1 1 51 51 THR N N 51 109.727 109.727 112.104 -2.377 17839 1887 1 6 . 1 1 51 51 THR HA H 51 4.148 4.148 4.360 -0.212 17839 1888 1 6 . 1 1 51 51 THR C C 51 175.440 175.440 175.587 -0.147 17839 1889 1 6 . 1 1 51 51 THR CA C 51 63.347 63.347 62.633 0.714 17839 1890 1 6 . 1 1 51 51 THR CB C 51 69.707 69.707 69.733 -0.026 17839 1891 1 6 . 1 1 51 51 THR H H 51 7.426 7.426 7.615 -0.189 17839 1892 1 6 . 1 1 52 52 PHE N N 52 120.966 120.966 118.014 2.952 17839 1893 1 6 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.146 0.362 17839 1894 1 6 . 1 1 52 52 PHE C C 52 176.816 176.816 174.894 1.922 17839 1895 1 6 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.335 -2.375 17839 1896 1 6 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.299 0.225 17839 1897 1 6 . 1 1 52 52 PHE H H 52 7.446 7.446 8.605 -1.159 17839 1898 1 6 . 1 1 53 53 THR N N 53 114.357 114.357 112.097 2.260 17839 1899 1 6 . 1 1 53 53 THR HA H 53 4.223 4.223 4.087 0.136 17839 1900 1 6 . 1 1 53 53 THR C C 53 180.987 180.987 174.176 6.811 17839 1901 1 6 . 1 1 53 53 THR CA C 53 58.214 58.214 63.539 -5.325 17839 1902 1 6 . 1 1 53 53 THR CB C 53 70.157 70.157 69.458 0.699 17839 1903 1 6 . 1 1 53 53 THR H H 53 7.953 7.953 7.766 0.187 17839 1904 1 6 . 1 1 54 54 VAL N N 54 122.097 122.097 117.707 4.390 17839 1905 1 6 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.339 -0.237 17839 1906 1 6 . 1 1 54 54 VAL C C 54 179.509 179.509 175.216 4.293 17839 1907 1 6 . 1 1 54 54 VAL CA C 54 62.553 62.553 62.408 0.145 17839 1908 1 6 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.997 -0.275 17839 1909 1 6 . 1 1 54 54 VAL H H 54 8.045 8.045 8.321 -0.276 17839 1910 1 6 . 1 1 55 55 THR N N 55 118.590 118.590 113.166 5.424 17839 1911 1 6 . 1 1 55 55 THR HA H 55 4.235 4.235 4.410 -0.175 17839 1912 1 6 . 1 1 55 55 THR CA C 55 61.732 61.732 62.076 -0.344 17839 1913 1 6 . 1 1 55 55 THR CB C 55 69.869 69.869 70.041 -0.172 17839 1914 1 6 . 1 1 55 55 THR H H 55 8.209 8.209 8.053 0.156 17839 1915 1 7 . 1 1 2 2 THR N N 2 128.640 128.640 116.843 11.797 17839 1916 1 7 . 1 1 2 2 THR HA H 2 4.125 4.125 4.595 -0.470 17839 1917 1 7 . 1 1 2 2 THR C C 2 173.743 173.743 173.776 -0.033 17839 1918 1 7 . 1 1 2 2 THR CA C 2 61.651 61.651 62.062 -0.411 17839 1919 1 7 . 1 1 2 2 THR CB C 2 69.626 69.626 69.195 0.431 17839 1920 1 7 . 1 1 2 2 THR H H 2 7.994 7.994 8.000 -0.006 17839 1921 1 7 . 1 1 3 3 TYR N N 3 124.112 124.112 122.295 1.817 17839 1922 1 7 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.405 -0.223 17839 1923 1 7 . 1 1 3 3 TYR C C 3 175.675 175.675 176.706 -1.031 17839 1924 1 7 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.120 1.180 17839 1925 1 7 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.974 -0.456 17839 1926 1 7 . 1 1 3 3 TYR H H 3 8.325 8.325 7.900 0.425 17839 1927 1 7 . 1 1 4 4 LYS N N 4 122.769 122.769 119.414 3.355 17839 1928 1 7 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.133 -0.250 17839 1929 1 7 . 1 1 4 4 LYS C C 4 175.923 175.923 176.387 -0.464 17839 1930 1 7 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.804 -0.381 17839 1931 1 7 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.662 0.105 17839 1932 1 7 . 1 1 4 4 LYS H H 4 8.027 8.027 8.441 -0.414 17839 1933 1 7 . 1 1 5 5 LEU N N 5 122.314 122.314 121.385 0.929 17839 1934 1 7 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.197 -0.137 17839 1935 1 7 . 1 1 5 5 LEU C C 5 177.167 177.167 177.194 -0.027 17839 1936 1 7 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.524 -0.235 17839 1937 1 7 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.001 2.014 17839 1938 1 7 . 1 1 5 5 LEU H H 5 7.919 7.919 8.638 -0.719 17839 1939 1 7 . 1 1 6 6 ILE N N 6 122.789 122.789 127.293 -4.504 17839 1940 1 7 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.072 -0.207 17839 1941 1 7 . 1 1 6 6 ILE C C 6 176.231 176.231 174.328 1.903 17839 1942 1 7 . 1 1 6 6 ILE CA C 6 61.390 61.390 60.025 1.365 17839 1943 1 7 . 1 1 6 6 ILE CB C 6 37.859 37.859 36.636 1.223 17839 1944 1 7 . 1 1 6 6 ILE H H 6 7.998 7.998 8.349 -0.351 17839 1945 1 7 . 1 1 7 7 LEU N N 7 125.831 125.831 126.262 -0.431 17839 1946 1 7 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.672 -0.492 17839 1947 1 7 . 1 1 7 7 LEU C C 7 177.079 177.079 175.701 1.378 17839 1948 1 7 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.655 0.401 17839 1949 1 7 . 1 1 7 7 LEU CB C 7 42.718 42.718 42.007 0.711 17839 1950 1 7 . 1 1 7 7 LEU H H 7 8.099 8.099 7.981 0.118 17839 1951 1 7 . 1 1 8 8 ASN N N 8 118.052 118.052 121.851 -3.799 17839 1952 1 7 . 1 1 8 8 ASN HA H 8 4.474 4.474 5.078 -0.604 17839 1953 1 7 . 1 1 8 8 ASN C C 8 175.250 175.250 175.208 0.042 17839 1954 1 7 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.066 0.417 17839 1955 1 7 . 1 1 8 8 ASN CB C 8 38.877 38.877 41.814 -2.937 17839 1956 1 7 . 1 1 8 8 ASN H H 8 8.058 8.058 8.167 -0.109 17839 1957 1 7 . 1 1 9 9 LEU N N 9 121.908 121.908 119.755 2.153 17839 1958 1 7 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.525 -0.873 17839 1959 1 7 . 1 1 9 9 LEU C C 9 177.065 177.065 178.058 -0.993 17839 1960 1 7 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.664 0.860 17839 1961 1 7 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.124 -0.174 17839 1962 1 7 . 1 1 9 9 LEU H H 9 8.251 8.251 8.415 -0.164 17839 1963 1 7 . 1 1 10 10 LYS N N 10 118.870 118.870 120.878 -2.008 17839 1964 1 7 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.968 -0.308 17839 1965 1 7 . 1 1 10 10 LYS C C 10 178.689 178.689 178.384 0.305 17839 1966 1 7 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.201 -0.401 17839 1967 1 7 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.189 1.080 17839 1968 1 7 . 1 1 10 10 LYS H H 10 7.940 7.940 8.573 -0.633 17839 1969 1 7 . 1 1 11 11 GLN N N 11 117.959 117.959 116.115 1.844 17839 1970 1 7 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.164 -0.267 17839 1971 1 7 . 1 1 11 11 GLN C C 11 179.084 179.084 177.921 1.163 17839 1972 1 7 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.681 0.504 17839 1973 1 7 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.023 1.448 17839 1974 1 7 . 1 1 11 11 GLN H H 11 7.549 7.549 8.671 -1.122 17839 1975 1 7 . 1 1 12 12 ALA N N 12 122.975 122.975 122.342 0.633 17839 1976 1 7 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.533 0.370 17839 1977 1 7 . 1 1 12 12 ALA C C 12 179.596 179.596 178.825 0.771 17839 1978 1 7 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.028 1.395 17839 1979 1 7 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.183 0.033 17839 1980 1 7 . 1 1 12 12 ALA H H 12 8.363 8.363 8.164 0.199 17839 1981 1 7 . 1 1 13 13 LYS N N 13 116.930 116.930 120.319 -3.389 17839 1982 1 7 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.030 -0.693 17839 1983 1 7 . 1 1 13 13 LYS C C 13 177.621 177.621 178.490 -0.869 17839 1984 1 7 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.263 1.424 17839 1985 1 7 . 1 1 13 13 LYS CB C 13 32.883 32.883 32.031 0.853 17839 1986 1 7 . 1 1 13 13 LYS H H 13 8.097 8.097 8.233 -0.136 17839 1987 1 7 . 1 1 14 14 GLU N N 14 116.977 116.977 118.099 -1.122 17839 1988 1 7 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.099 -0.385 17839 1989 1 7 . 1 1 14 14 GLU C C 14 180.065 180.065 178.457 1.608 17839 1990 1 7 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.015 0.569 17839 1991 1 7 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.028 0.161 17839 1992 1 7 . 1 1 14 14 GLU H H 14 7.582 7.582 8.174 -0.592 17839 1993 1 7 . 1 1 15 15 GLU N N 15 119.464 119.464 120.395 -0.931 17839 1994 1 7 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.763 0.146 17839 1995 1 7 . 1 1 15 15 GLU C C 15 178.367 178.367 178.757 -0.390 17839 1996 1 7 . 1 1 15 15 GLU CA C 15 58.599 58.599 58.935 -0.336 17839 1997 1 7 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.497 0.538 17839 1998 1 7 . 1 1 15 15 GLU H H 15 8.313 8.313 7.430 0.883 17839 1999 1 7 . 1 1 16 16 ALA N N 16 122.073 122.073 121.037 1.036 17839 2000 1 7 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.071 -0.293 17839 2001 1 7 . 1 1 16 16 ALA C C 16 179.245 179.245 179.425 -0.180 17839 2002 1 7 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.074 0.258 17839 2003 1 7 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.629 0.127 17839 2004 1 7 . 1 1 16 16 ALA H H 16 8.427 8.427 7.552 0.875 17839 2005 1 7 . 1 1 17 17 ILE N N 17 117.151 117.151 119.703 -2.552 17839 2006 1 7 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.549 -0.450 17839 2007 1 7 . 1 1 17 17 ILE C C 17 177.196 177.196 178.014 -0.818 17839 2008 1 7 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.613 -0.544 17839 2009 1 7 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.694 -1.060 17839 2010 1 7 . 1 1 17 17 ILE H H 17 8.177 8.177 7.579 0.598 17839 2011 1 7 . 1 1 18 18 LYS N N 18 119.317 119.317 119.371 -0.054 17839 2012 1 7 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.843 -0.174 17839 2013 1 7 . 1 1 18 18 LYS C C 18 178.279 178.279 179.038 -0.759 17839 2014 1 7 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.881 0.094 17839 2015 1 7 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.416 -0.401 17839 2016 1 7 . 1 1 18 18 LYS H H 18 7.525 7.525 8.448 -0.923 17839 2017 1 7 . 1 1 19 19 GLU N N 19 119.267 119.267 119.042 0.225 17839 2018 1 7 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.088 -0.163 17839 2019 1 7 . 1 1 19 19 GLU C C 19 178.104 178.104 179.259 -1.155 17839 2020 1 7 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.926 -0.021 17839 2021 1 7 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.593 -1.062 17839 2022 1 7 . 1 1 19 19 GLU H H 19 8.226 8.226 7.643 0.583 17839 2023 1 7 . 1 1 20 20 LEU N N 20 120.447 120.447 121.069 -0.622 17839 2024 1 7 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.184 -0.261 17839 2025 1 7 . 1 1 20 20 LEU C C 20 179.991 179.991 178.832 1.159 17839 2026 1 7 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.165 -0.063 17839 2027 1 7 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.065 -1.240 17839 2028 1 7 . 1 1 20 20 LEU H H 20 8.018 8.018 8.649 -0.631 17839 2029 1 7 . 1 1 21 21 VAL N N 21 124.479 124.479 117.865 6.614 17839 2030 1 7 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.803 0.015 17839 2031 1 7 . 1 1 21 21 VAL C C 21 177.431 177.431 177.750 -0.319 17839 2032 1 7 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.900 0.479 17839 2033 1 7 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.366 0.621 17839 2034 1 7 . 1 1 21 21 VAL H H 21 9.048 9.048 7.974 1.074 17839 2035 1 7 . 1 1 22 22 ASP N N 22 121.941 121.941 119.572 2.369 17839 2036 1 7 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.518 -0.574 17839 2037 1 7 . 1 1 22 22 ASP C C 22 179.713 179.713 175.836 3.877 17839 2038 1 7 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.805 1.311 17839 2039 1 7 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.499 -2.000 17839 2040 1 7 . 1 1 22 22 ASP H H 22 8.077 8.077 7.714 0.363 17839 2041 1 7 . 1 1 23 23 ALA N N 23 116.831 116.831 120.229 -3.398 17839 2042 1 7 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.620 -0.440 17839 2043 1 7 . 1 1 23 23 ALA C C 23 177.855 177.855 177.252 0.603 17839 2044 1 7 . 1 1 23 23 ALA CA C 23 52.301 52.301 50.916 1.385 17839 2045 1 7 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.476 -2.486 17839 2046 1 7 . 1 1 23 23 ALA H H 23 6.897 6.897 7.297 -0.400 17839 2047 1 7 . 1 1 24 24 GLY N N 24 107.830 107.830 109.576 -1.746 17839 2048 1 7 . 1 1 24 24 GLY C C 24 174.665 174.665 174.082 0.583 17839 2049 1 7 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.677 0.134 17839 2050 1 7 . 1 1 24 24 GLY H H 24 8.002 8.002 8.708 -0.706 17839 2051 1 7 . 1 1 25 25 THR N N 25 117.914 117.914 117.058 0.856 17839 2052 1 7 . 1 1 25 25 THR HA H 25 3.818 3.818 4.637 -0.819 17839 2053 1 7 . 1 1 25 25 THR C C 25 173.187 173.187 173.963 -0.776 17839 2054 1 7 . 1 1 25 25 THR CA C 25 64.001 64.001 60.399 3.602 17839 2055 1 7 . 1 1 25 25 THR CB C 25 69.674 69.674 70.499 -0.825 17839 2056 1 7 . 1 1 25 25 THR H H 25 7.784 7.784 8.392 -0.608 17839 2057 1 7 . 1 1 26 26 ALA N N 26 128.480 128.480 122.712 5.768 17839 2058 1 7 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.763 -0.766 17839 2059 1 7 . 1 1 26 26 ALA C C 26 177.884 177.884 177.631 0.253 17839 2060 1 7 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.964 2.145 17839 2061 1 7 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.837 -1.969 17839 2062 1 7 . 1 1 26 26 ALA H H 26 8.749 8.749 8.717 0.032 17839 2063 1 7 . 1 1 27 27 GLU N N 27 120.909 120.909 124.407 -3.498 17839 2064 1 7 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.385 -1.146 17839 2065 1 7 . 1 1 27 27 GLU C C 27 178.631 178.631 176.670 1.961 17839 2066 1 7 . 1 1 27 27 GLU CA C 27 57.838 57.838 58.968 -1.130 17839 2067 1 7 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.549 0.369 17839 2068 1 7 . 1 1 27 27 GLU H H 27 8.150 8.150 8.904 -0.754 17839 2069 1 7 . 1 1 28 28 LYS N N 28 117.447 117.447 117.303 0.144 17839 2070 1 7 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.745 0.044 17839 2071 1 7 . 1 1 28 28 LYS C C 28 177.211 177.211 178.638 -1.427 17839 2072 1 7 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.957 0.133 17839 2073 1 7 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.736 0.260 17839 2074 1 7 . 1 1 28 28 LYS H H 28 7.989 7.989 8.165 -0.176 17839 2075 1 7 . 1 1 29 29 TYR N N 29 116.462 116.462 118.289 -1.827 17839 2076 1 7 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.197 0.190 17839 2077 1 7 . 1 1 29 29 TYR C C 29 177.313 177.313 177.846 -0.533 17839 2078 1 7 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.582 -1.224 17839 2079 1 7 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.766 0.690 17839 2080 1 7 . 1 1 29 29 TYR H H 29 7.273 7.273 7.359 -0.086 17839 2081 1 7 . 1 1 30 30 PHE N N 30 119.334 119.334 118.106 1.228 17839 2082 1 7 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.380 -0.300 17839 2083 1 7 . 1 1 30 30 PHE C C 30 178.762 178.762 176.832 1.930 17839 2084 1 7 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.719 -0.147 17839 2085 1 7 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.736 4.385 17839 2086 1 7 . 1 1 30 30 PHE H H 30 7.991 7.991 7.608 0.383 17839 2087 1 7 . 1 1 31 31 LYS N N 31 118.612 118.612 120.372 -1.760 17839 2088 1 7 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.341 -0.437 17839 2089 1 7 . 1 1 31 31 LYS C C 31 177.694 177.694 178.731 -1.037 17839 2090 1 7 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.525 0.095 17839 2091 1 7 . 1 1 31 31 LYS CB C 31 31.552 31.552 31.594 -0.042 17839 2092 1 7 . 1 1 31 31 LYS H H 31 7.916 7.916 7.469 0.447 17839 2093 1 7 . 1 1 32 32 LEU N N 32 117.737 117.737 119.764 -2.027 17839 2094 1 7 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.116 -0.351 17839 2095 1 7 . 1 1 32 32 LEU C C 32 177.021 177.021 178.514 -1.493 17839 2096 1 7 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.384 -0.043 17839 2097 1 7 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.391 -0.973 17839 2098 1 7 . 1 1 32 32 LEU H H 32 7.316 7.316 7.441 -0.125 17839 2099 1 7 . 1 1 33 33 ILE N N 33 119.064 119.064 114.265 4.799 17839 2100 1 7 . 1 1 33 33 ILE HA H 33 3.652 3.652 4.003 -0.351 17839 2101 1 7 . 1 1 33 33 ILE C C 33 177.489 177.489 177.906 -0.417 17839 2102 1 7 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.691 -1.907 17839 2103 1 7 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.502 -1.800 17839 2104 1 7 . 1 1 33 33 ILE H H 33 7.620 7.620 7.958 -0.338 17839 2105 1 7 . 1 1 34 34 ALA N N 34 119.319 119.319 122.104 -2.785 17839 2106 1 7 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.048 -0.268 17839 2107 1 7 . 1 1 34 34 ALA C C 34 179.128 179.128 178.582 0.546 17839 2108 1 7 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.676 0.176 17839 2109 1 7 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.324 -0.074 17839 2110 1 7 . 1 1 34 34 ALA H H 34 7.594 7.594 7.895 -0.301 17839 2111 1 7 . 1 1 35 35 ASN N N 35 112.212 112.212 116.893 -4.681 17839 2112 1 7 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.672 -0.179 17839 2113 1 7 . 1 1 35 35 ASN C C 35 175.265 175.265 175.494 -0.229 17839 2114 1 7 . 1 1 35 35 ASN CA C 35 52.596 52.596 52.941 -0.345 17839 2115 1 7 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.425 -0.518 17839 2116 1 7 . 1 1 35 35 ASN H H 35 7.264 7.264 7.843 -0.579 17839 2117 1 7 . 1 1 36 36 ALA N N 36 124.435 124.435 122.857 1.578 17839 2118 1 7 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.191 -0.182 17839 2119 1 7 . 1 1 36 36 ALA C C 36 177.826 177.826 176.610 1.216 17839 2120 1 7 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.383 0.754 17839 2121 1 7 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.737 -0.220 17839 2122 1 7 . 1 1 36 36 ALA H H 36 7.270 7.270 7.549 -0.279 17839 2123 1 7 . 1 1 37 37 LYS N N 37 116.671 116.671 119.976 -3.305 17839 2124 1 7 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.360 -0.187 17839 2125 1 7 . 1 1 37 37 LYS C C 37 176.772 176.772 176.035 0.737 17839 2126 1 7 . 1 1 37 37 LYS CA C 37 56.537 56.537 56.451 0.086 17839 2127 1 7 . 1 1 37 37 LYS CB C 37 34.899 34.899 31.930 2.969 17839 2128 1 7 . 1 1 37 37 LYS H H 37 8.682 8.682 8.371 0.311 17839 2129 1 7 . 1 1 38 38 THR N N 38 106.220 106.220 111.787 -5.567 17839 2130 1 7 . 1 1 38 38 THR HA H 38 4.541 4.541 4.540 0.001 17839 2131 1 7 . 1 1 38 38 THR C C 38 173.816 173.816 174.833 -1.017 17839 2132 1 7 . 1 1 38 38 THR CA C 38 58.209 58.209 60.263 -2.054 17839 2133 1 7 . 1 1 38 38 THR CB C 38 72.726 72.726 72.166 0.560 17839 2134 1 7 . 1 1 38 38 THR H H 38 7.232 7.232 7.431 -0.199 17839 2135 1 7 . 1 1 39 39 VAL N N 39 122.896 122.896 121.992 0.904 17839 2136 1 7 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.960 -1.082 17839 2137 1 7 . 1 1 39 39 VAL C C 39 176.655 176.655 177.104 -0.449 17839 2138 1 7 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.535 1.583 17839 2139 1 7 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.200 0.060 17839 2140 1 7 . 1 1 39 39 VAL H H 39 8.835 8.835 8.679 0.156 17839 2141 1 7 . 1 1 40 40 GLU N N 40 117.945 117.945 120.262 -2.317 17839 2142 1 7 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.131 -0.349 17839 2143 1 7 . 1 1 40 40 GLU C C 40 179.362 179.362 179.220 0.142 17839 2144 1 7 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.991 -0.067 17839 2145 1 7 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.725 -0.469 17839 2146 1 7 . 1 1 40 40 GLU H H 40 8.735 8.735 9.129 -0.394 17839 2147 1 7 . 1 1 41 41 GLY N N 41 108.576 108.576 107.597 0.979 17839 2148 1 7 . 1 1 41 41 GLY C C 41 176.275 176.275 175.831 0.444 17839 2149 1 7 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.964 -0.659 17839 2150 1 7 . 1 1 41 41 GLY H H 41 8.019 8.019 7.870 0.148 17839 2151 1 7 . 1 1 42 42 VAL N N 42 122.823 122.823 122.905 -0.082 17839 2152 1 7 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.772 -0.029 17839 2153 1 7 . 1 1 42 42 VAL C C 42 177.211 177.211 177.883 -0.672 17839 2154 1 7 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.336 0.981 17839 2155 1 7 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.973 -1.740 17839 2156 1 7 . 1 1 42 42 VAL H H 42 7.705 7.705 7.354 0.351 17839 2157 1 7 . 1 1 43 43 TRP N N 43 119.439 119.439 118.507 0.932 17839 2158 1 7 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.373 -0.062 17839 2159 1 7 . 1 1 43 43 TRP C C 43 178.879 178.879 178.753 0.126 17839 2160 1 7 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.635 -2.402 17839 2161 1 7 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.140 -0.338 17839 2162 1 7 . 1 1 43 43 TRP H H 43 7.497 7.497 9.037 -1.540 17839 2163 1 7 . 1 1 44 44 THR N N 44 115.130 115.130 114.308 0.822 17839 2164 1 7 . 1 1 44 44 THR HA H 44 3.877 3.877 3.992 -0.115 17839 2165 1 7 . 1 1 44 44 THR C C 44 177.299 177.299 176.601 0.698 17839 2166 1 7 . 1 1 44 44 THR CA C 44 66.178 66.178 65.828 0.350 17839 2167 1 7 . 1 1 44 44 THR CB C 44 68.938 68.938 68.393 0.545 17839 2168 1 7 . 1 1 44 44 THR H H 44 8.278 8.278 7.687 0.591 17839 2169 1 7 . 1 1 45 45 LEU N N 45 123.159 123.159 122.707 0.452 17839 2170 1 7 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.943 -0.004 17839 2171 1 7 . 1 1 45 45 LEU C C 45 178.235 178.235 178.593 -0.358 17839 2172 1 7 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.343 -0.696 17839 2173 1 7 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.798 0.510 17839 2174 1 7 . 1 1 45 45 LEU H H 45 7.835 7.835 7.853 -0.018 17839 2175 1 7 . 1 1 46 46 LYS N N 46 119.348 119.348 119.059 0.289 17839 2176 1 7 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.883 -0.363 17839 2177 1 7 . 1 1 46 46 LYS C C 46 177.518 177.518 178.519 -1.001 17839 2178 1 7 . 1 1 46 46 LYS CA C 46 60.558 60.558 60.022 0.536 17839 2179 1 7 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.910 -1.685 17839 2180 1 7 . 1 1 46 46 LYS H H 46 8.521 8.521 7.837 0.684 17839 2181 1 7 . 1 1 47 47 ASP N N 47 117.390 117.390 118.851 -1.461 17839 2182 1 7 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.366 -0.630 17839 2183 1 7 . 1 1 47 47 ASP C C 47 178.689 178.689 178.362 0.327 17839 2184 1 7 . 1 1 47 47 ASP CA C 47 57.139 57.139 58.287 -1.148 17839 2185 1 7 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.717 -0.921 17839 2186 1 7 . 1 1 47 47 ASP H H 47 7.450 7.450 7.854 -0.404 17839 2187 1 7 . 1 1 48 48 GLU N N 48 121.902 121.902 118.573 3.329 17839 2188 1 7 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.107 -0.347 17839 2189 1 7 . 1 1 48 48 GLU C C 48 179.201 179.201 178.525 0.676 17839 2190 1 7 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.244 -0.172 17839 2191 1 7 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.576 0.085 17839 2192 1 7 . 1 1 48 48 GLU H H 48 7.732 7.732 7.579 0.153 17839 2193 1 7 . 1 1 49 49 ILE N N 49 120.605 120.605 118.304 2.301 17839 2194 1 7 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.052 -0.472 17839 2195 1 7 . 1 1 49 49 ILE C C 49 178.704 178.704 177.540 1.164 17839 2196 1 7 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.283 0.718 17839 2197 1 7 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.153 0.810 17839 2198 1 7 . 1 1 49 49 ILE H H 49 8.551 8.551 7.544 1.007 17839 2199 1 7 . 1 1 50 50 LYS N N 50 119.061 119.061 116.875 2.186 17839 2200 1 7 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.085 -0.376 17839 2201 1 7 . 1 1 50 50 LYS C C 50 177.753 177.753 178.537 -0.784 17839 2202 1 7 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.224 1.440 17839 2203 1 7 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.107 -0.954 17839 2204 1 7 . 1 1 50 50 LYS H H 50 7.567 7.567 7.451 0.116 17839 2205 1 7 . 1 1 51 51 THR N N 51 109.727 109.727 114.681 -4.954 17839 2206 1 7 . 1 1 51 51 THR HA H 51 4.148 4.148 4.214 -0.066 17839 2207 1 7 . 1 1 51 51 THR C C 51 175.440 175.440 175.953 -0.513 17839 2208 1 7 . 1 1 51 51 THR CA C 51 63.347 63.347 64.753 -1.406 17839 2209 1 7 . 1 1 51 51 THR CB C 51 69.707 69.707 69.737 -0.030 17839 2210 1 7 . 1 1 51 51 THR H H 51 7.426 7.426 7.711 -0.285 17839 2211 1 7 . 1 1 52 52 PHE N N 52 120.966 120.966 121.041 -0.075 17839 2212 1 7 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.605 -0.097 17839 2213 1 7 . 1 1 52 52 PHE C C 52 176.816 176.816 175.117 1.699 17839 2214 1 7 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.230 -1.270 17839 2215 1 7 . 1 1 52 52 PHE CB C 52 37.524 37.524 39.025 -1.501 17839 2216 1 7 . 1 1 52 52 PHE H H 52 7.446 7.446 8.403 -0.957 17839 2217 1 7 . 1 1 53 53 THR N N 53 114.357 114.357 114.846 -0.489 17839 2218 1 7 . 1 1 53 53 THR HA H 53 4.223 4.223 3.639 0.584 17839 2219 1 7 . 1 1 53 53 THR C C 53 180.987 180.987 174.163 6.824 17839 2220 1 7 . 1 1 53 53 THR CA C 53 58.214 58.214 62.912 -4.698 17839 2221 1 7 . 1 1 53 53 THR CB C 53 70.157 70.157 69.463 0.694 17839 2222 1 7 . 1 1 53 53 THR H H 53 7.953 7.953 7.471 0.482 17839 2223 1 7 . 1 1 54 54 VAL N N 54 122.097 122.097 117.930 4.167 17839 2224 1 7 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.400 -0.298 17839 2225 1 7 . 1 1 54 54 VAL C C 54 179.509 179.509 174.931 4.578 17839 2226 1 7 . 1 1 54 54 VAL CA C 54 62.553 62.553 60.259 2.294 17839 2227 1 7 . 1 1 54 54 VAL CB C 54 32.722 32.722 33.282 -0.560 17839 2228 1 7 . 1 1 54 54 VAL H H 54 8.045 8.045 7.952 0.093 17839 2229 1 7 . 1 1 55 55 THR N N 55 118.590 118.590 118.763 -0.173 17839 2230 1 7 . 1 1 55 55 THR HA H 55 4.235 4.235 4.601 -0.366 17839 2231 1 7 . 1 1 55 55 THR CA C 55 61.732 61.732 61.962 -0.230 17839 2232 1 7 . 1 1 55 55 THR CB C 55 69.869 69.869 69.654 0.215 17839 2233 1 7 . 1 1 55 55 THR H H 55 8.209 8.209 8.251 -0.042 17839 2234 1 8 . 1 1 2 2 THR N N 2 128.640 128.640 117.754 10.886 17839 2235 1 8 . 1 1 2 2 THR HA H 2 4.125 4.125 4.231 -0.106 17839 2236 1 8 . 1 1 2 2 THR C C 2 173.743 173.743 173.314 0.429 17839 2237 1 8 . 1 1 2 2 THR CA C 2 61.651 61.651 62.548 -0.897 17839 2238 1 8 . 1 1 2 2 THR CB C 2 69.626 69.626 69.102 0.524 17839 2239 1 8 . 1 1 2 2 THR H H 2 7.994 7.994 8.349 -0.355 17839 2240 1 8 . 1 1 3 3 TYR N N 3 124.112 124.112 123.990 0.122 17839 2241 1 8 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.597 -0.415 17839 2242 1 8 . 1 1 3 3 TYR C C 3 175.675 175.675 175.728 -0.053 17839 2243 1 8 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.250 1.050 17839 2244 1 8 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.257 0.262 17839 2245 1 8 . 1 1 3 3 TYR H H 3 8.325 8.325 8.568 -0.243 17839 2246 1 8 . 1 1 4 4 LYS N N 4 122.769 122.769 124.873 -2.104 17839 2247 1 8 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.312 -0.429 17839 2248 1 8 . 1 1 4 4 LYS C C 4 175.923 175.923 177.242 -1.319 17839 2249 1 8 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.999 -0.577 17839 2250 1 8 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.136 -0.369 17839 2251 1 8 . 1 1 4 4 LYS H H 4 8.027 8.027 8.561 -0.534 17839 2252 1 8 . 1 1 5 5 LEU N N 5 122.314 122.314 124.347 -2.033 17839 2253 1 8 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.513 -0.453 17839 2254 1 8 . 1 1 5 5 LEU C C 5 177.167 177.167 176.910 0.257 17839 2255 1 8 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.208 0.081 17839 2256 1 8 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.170 -0.155 17839 2257 1 8 . 1 1 5 5 LEU H H 5 7.919 7.919 8.346 -0.427 17839 2258 1 8 . 1 1 6 6 ILE N N 6 122.789 122.789 120.959 1.830 17839 2259 1 8 . 1 1 6 6 ILE HA H 6 3.865 3.865 3.972 -0.107 17839 2260 1 8 . 1 1 6 6 ILE C C 6 176.231 176.231 176.033 0.198 17839 2261 1 8 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.573 -0.183 17839 2262 1 8 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.333 -0.474 17839 2263 1 8 . 1 1 6 6 ILE H H 6 7.998 7.998 7.595 0.403 17839 2264 1 8 . 1 1 7 7 LEU N N 7 125.831 125.831 130.062 -4.231 17839 2265 1 8 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.571 -0.391 17839 2266 1 8 . 1 1 7 7 LEU C C 7 177.079 177.079 176.290 0.789 17839 2267 1 8 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.472 0.584 17839 2268 1 8 . 1 1 7 7 LEU CB C 7 42.718 42.718 42.595 0.123 17839 2269 1 8 . 1 1 7 7 LEU H H 7 8.099 8.099 8.176 -0.077 17839 2270 1 8 . 1 1 8 8 ASN N N 8 118.052 118.052 116.051 2.001 17839 2271 1 8 . 1 1 8 8 ASN HA H 8 4.474 4.474 5.110 -0.636 17839 2272 1 8 . 1 1 8 8 ASN C C 8 175.250 175.250 174.288 0.962 17839 2273 1 8 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.557 -0.074 17839 2274 1 8 . 1 1 8 8 ASN CB C 8 38.877 38.877 40.728 -1.851 17839 2275 1 8 . 1 1 8 8 ASN H H 8 8.058 8.058 8.037 0.021 17839 2276 1 8 . 1 1 9 9 LEU N N 9 121.908 121.908 119.757 2.151 17839 2277 1 8 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.687 -1.035 17839 2278 1 8 . 1 1 9 9 LEU C C 9 177.065 177.065 177.831 -0.766 17839 2279 1 8 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.095 1.429 17839 2280 1 8 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.199 -0.249 17839 2281 1 8 . 1 1 9 9 LEU H H 9 8.251 8.251 8.430 -0.179 17839 2282 1 8 . 1 1 10 10 LYS N N 10 118.870 118.870 121.097 -2.227 17839 2283 1 8 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.937 -0.277 17839 2284 1 8 . 1 1 10 10 LYS C C 10 178.689 178.689 178.284 0.405 17839 2285 1 8 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.031 -0.231 17839 2286 1 8 . 1 1 10 10 LYS CB C 10 32.269 32.269 30.913 1.356 17839 2287 1 8 . 1 1 10 10 LYS H H 10 7.940 7.940 8.617 -0.677 17839 2288 1 8 . 1 1 11 11 GLN N N 11 117.959 117.959 116.572 1.387 17839 2289 1 8 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.272 -0.375 17839 2290 1 8 . 1 1 11 11 GLN C C 11 179.084 179.084 178.363 0.721 17839 2291 1 8 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.526 0.659 17839 2292 1 8 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.234 1.237 17839 2293 1 8 . 1 1 11 11 GLN H H 11 7.549 7.549 8.622 -1.073 17839 2294 1 8 . 1 1 12 12 ALA N N 12 122.975 122.975 122.175 0.800 17839 2295 1 8 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.490 0.413 17839 2296 1 8 . 1 1 12 12 ALA C C 12 179.596 179.596 178.752 0.844 17839 2297 1 8 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.063 1.360 17839 2298 1 8 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.230 -0.014 17839 2299 1 8 . 1 1 12 12 ALA H H 12 8.363 8.363 8.632 -0.269 17839 2300 1 8 . 1 1 13 13 LYS N N 13 116.930 116.930 120.220 -3.290 17839 2301 1 8 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.020 -0.683 17839 2302 1 8 . 1 1 13 13 LYS C C 13 177.621 177.621 178.439 -0.818 17839 2303 1 8 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.273 1.414 17839 2304 1 8 . 1 1 13 13 LYS CB C 13 32.883 32.883 32.026 0.857 17839 2305 1 8 . 1 1 13 13 LYS H H 13 8.097 8.097 7.949 0.148 17839 2306 1 8 . 1 1 14 14 GLU N N 14 116.977 116.977 118.083 -1.106 17839 2307 1 8 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.087 -0.373 17839 2308 1 8 . 1 1 14 14 GLU C C 14 180.065 180.065 178.452 1.613 17839 2309 1 8 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.010 0.574 17839 2310 1 8 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.026 0.164 17839 2311 1 8 . 1 1 14 14 GLU H H 14 7.582 7.582 8.269 -0.687 17839 2312 1 8 . 1 1 15 15 GLU N N 15 119.464 119.464 120.332 -0.868 17839 2313 1 8 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.754 0.155 17839 2314 1 8 . 1 1 15 15 GLU C C 15 178.367 178.367 178.710 -0.343 17839 2315 1 8 . 1 1 15 15 GLU CA C 15 58.599 58.599 58.969 -0.370 17839 2316 1 8 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.509 0.526 17839 2317 1 8 . 1 1 15 15 GLU H H 15 8.313 8.313 7.404 0.909 17839 2318 1 8 . 1 1 16 16 ALA N N 16 122.073 122.073 121.196 0.877 17839 2319 1 8 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.122 -0.344 17839 2320 1 8 . 1 1 16 16 ALA C C 16 179.245 179.245 179.469 -0.224 17839 2321 1 8 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.060 0.272 17839 2322 1 8 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.584 0.172 17839 2323 1 8 . 1 1 16 16 ALA H H 16 8.427 8.427 7.487 0.940 17839 2324 1 8 . 1 1 17 17 ILE N N 17 117.151 117.151 119.701 -2.550 17839 2325 1 8 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.545 -0.446 17839 2326 1 8 . 1 1 17 17 ILE C C 17 177.196 177.196 177.991 -0.795 17839 2327 1 8 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.442 -0.373 17839 2328 1 8 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.581 -0.947 17839 2329 1 8 . 1 1 17 17 ILE H H 17 8.177 8.177 7.660 0.517 17839 2330 1 8 . 1 1 18 18 LYS N N 18 119.317 119.317 119.935 -0.618 17839 2331 1 8 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.889 -0.220 17839 2332 1 8 . 1 1 18 18 LYS C C 18 178.279 178.279 179.001 -0.722 17839 2333 1 8 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.599 0.376 17839 2334 1 8 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.181 -0.166 17839 2335 1 8 . 1 1 18 18 LYS H H 18 7.525 7.525 8.413 -0.888 17839 2336 1 8 . 1 1 19 19 GLU N N 19 119.267 119.267 119.359 -0.092 17839 2337 1 8 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.057 -0.132 17839 2338 1 8 . 1 1 19 19 GLU C C 19 178.104 178.104 179.331 -1.227 17839 2339 1 8 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.060 -0.155 17839 2340 1 8 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.514 -0.983 17839 2341 1 8 . 1 1 19 19 GLU H H 19 8.226 8.226 7.638 0.588 17839 2342 1 8 . 1 1 20 20 LEU N N 20 120.447 120.447 120.557 -0.110 17839 2343 1 8 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.162 -0.239 17839 2344 1 8 . 1 1 20 20 LEU C C 20 179.991 179.991 179.619 0.372 17839 2345 1 8 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.239 -0.137 17839 2346 1 8 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.212 -1.387 17839 2347 1 8 . 1 1 20 20 LEU H H 20 8.018 8.018 8.761 -0.743 17839 2348 1 8 . 1 1 21 21 VAL N N 21 124.479 124.479 118.996 5.483 17839 2349 1 8 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.758 0.060 17839 2350 1 8 . 1 1 21 21 VAL C C 21 177.431 177.431 177.516 -0.085 17839 2351 1 8 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.803 0.576 17839 2352 1 8 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.162 0.825 17839 2353 1 8 . 1 1 21 21 VAL H H 21 9.048 9.048 8.062 0.986 17839 2354 1 8 . 1 1 22 22 ASP N N 22 121.941 121.941 118.994 2.947 17839 2355 1 8 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.527 -0.583 17839 2356 1 8 . 1 1 22 22 ASP C C 22 179.713 179.713 175.312 4.401 17839 2357 1 8 . 1 1 22 22 ASP CA C 22 57.116 57.116 56.061 1.055 17839 2358 1 8 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.367 -1.867 17839 2359 1 8 . 1 1 22 22 ASP H H 22 8.077 8.077 7.762 0.315 17839 2360 1 8 . 1 1 23 23 ALA N N 23 116.831 116.831 120.015 -3.184 17839 2361 1 8 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.536 -0.356 17839 2362 1 8 . 1 1 23 23 ALA C C 23 177.855 177.855 176.412 1.443 17839 2363 1 8 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.085 1.216 17839 2364 1 8 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.612 -2.622 17839 2365 1 8 . 1 1 23 23 ALA H H 23 6.897 6.897 7.005 -0.108 17839 2366 1 8 . 1 1 24 24 GLY N N 24 107.830 107.830 108.388 -0.558 17839 2367 1 8 . 1 1 24 24 GLY C C 24 174.665 174.665 174.059 0.606 17839 2368 1 8 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.005 -0.194 17839 2369 1 8 . 1 1 24 24 GLY H H 24 8.002 8.002 8.491 -0.489 17839 2370 1 8 . 1 1 25 25 THR N N 25 117.914 117.914 116.982 0.932 17839 2371 1 8 . 1 1 25 25 THR HA H 25 3.818 3.818 4.508 -0.690 17839 2372 1 8 . 1 1 25 25 THR C C 25 173.187 173.187 172.866 0.321 17839 2373 1 8 . 1 1 25 25 THR CA C 25 64.001 64.001 60.772 3.229 17839 2374 1 8 . 1 1 25 25 THR CB C 25 69.674 69.674 70.704 -1.030 17839 2375 1 8 . 1 1 25 25 THR H H 25 7.784 7.784 8.126 -0.342 17839 2376 1 8 . 1 1 26 26 ALA N N 26 128.480 128.480 123.932 4.548 17839 2377 1 8 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.742 -0.745 17839 2378 1 8 . 1 1 26 26 ALA C C 26 177.884 177.884 177.371 0.513 17839 2379 1 8 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.963 2.146 17839 2380 1 8 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.288 -0.420 17839 2381 1 8 . 1 1 26 26 ALA H H 26 8.749 8.749 8.883 -0.134 17839 2382 1 8 . 1 1 27 27 GLU N N 27 120.909 120.909 125.738 -4.829 17839 2383 1 8 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.257 -1.018 17839 2384 1 8 . 1 1 27 27 GLU C C 27 178.631 178.631 176.500 2.131 17839 2385 1 8 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.081 -1.243 17839 2386 1 8 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.328 0.590 17839 2387 1 8 . 1 1 27 27 GLU H H 27 8.150 8.150 8.977 -0.827 17839 2388 1 8 . 1 1 28 28 LYS N N 28 117.447 117.447 117.406 0.041 17839 2389 1 8 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.755 0.034 17839 2390 1 8 . 1 1 28 28 LYS C C 28 177.211 177.211 178.806 -1.595 17839 2391 1 8 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.982 0.108 17839 2392 1 8 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.888 0.108 17839 2393 1 8 . 1 1 28 28 LYS H H 28 7.989 7.989 7.979 0.010 17839 2394 1 8 . 1 1 29 29 TYR N N 29 116.462 116.462 118.778 -2.316 17839 2395 1 8 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.150 0.237 17839 2396 1 8 . 1 1 29 29 TYR C C 29 177.313 177.313 177.809 -0.496 17839 2397 1 8 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.713 -1.355 17839 2398 1 8 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.228 1.228 17839 2399 1 8 . 1 1 29 29 TYR H H 29 7.273 7.273 8.033 -0.760 17839 2400 1 8 . 1 1 30 30 PHE N N 30 119.334 119.334 117.283 2.051 17839 2401 1 8 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.303 -0.223 17839 2402 1 8 . 1 1 30 30 PHE C C 30 178.762 178.762 177.367 1.395 17839 2403 1 8 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.069 -0.497 17839 2404 1 8 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.641 4.480 17839 2405 1 8 . 1 1 30 30 PHE H H 30 7.991 7.991 7.456 0.535 17839 2406 1 8 . 1 1 31 31 LYS N N 31 118.612 118.612 119.738 -1.126 17839 2407 1 8 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.331 -0.427 17839 2408 1 8 . 1 1 31 31 LYS C C 31 177.694 177.694 178.442 -0.748 17839 2409 1 8 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.913 -0.293 17839 2410 1 8 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.364 -0.812 17839 2411 1 8 . 1 1 31 31 LYS H H 31 7.916 7.916 7.338 0.578 17839 2412 1 8 . 1 1 32 32 LEU N N 32 117.737 117.737 119.395 -1.658 17839 2413 1 8 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.126 -0.361 17839 2414 1 8 . 1 1 32 32 LEU C C 32 177.021 177.021 178.690 -1.669 17839 2415 1 8 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.407 -0.066 17839 2416 1 8 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.578 -1.161 17839 2417 1 8 . 1 1 32 32 LEU H H 32 7.316 7.316 7.205 0.111 17839 2418 1 8 . 1 1 33 33 ILE N N 33 119.064 119.064 115.015 4.049 17839 2419 1 8 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.805 -0.153 17839 2420 1 8 . 1 1 33 33 ILE C C 33 177.489 177.489 178.042 -0.553 17839 2421 1 8 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.299 -2.514 17839 2422 1 8 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.292 -1.590 17839 2423 1 8 . 1 1 33 33 ILE H H 33 7.620 7.620 8.520 -0.900 17839 2424 1 8 . 1 1 34 34 ALA N N 34 119.319 119.319 122.598 -3.279 17839 2425 1 8 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.021 -0.241 17839 2426 1 8 . 1 1 34 34 ALA C C 34 179.128 179.128 178.134 0.994 17839 2427 1 8 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.948 -0.096 17839 2428 1 8 . 1 1 34 34 ALA CB C 34 18.250 18.250 17.964 0.286 17839 2429 1 8 . 1 1 34 34 ALA H H 34 7.594 7.594 7.844 -0.250 17839 2430 1 8 . 1 1 35 35 ASN N N 35 112.212 112.212 115.382 -3.170 17839 2431 1 8 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.672 -0.179 17839 2432 1 8 . 1 1 35 35 ASN C C 35 175.265 175.265 176.065 -0.800 17839 2433 1 8 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.414 -0.818 17839 2434 1 8 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.568 0.339 17839 2435 1 8 . 1 1 35 35 ASN H H 35 7.264 7.264 7.540 -0.276 17839 2436 1 8 . 1 1 36 36 ALA N N 36 124.435 124.435 123.086 1.349 17839 2437 1 8 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.147 -0.138 17839 2438 1 8 . 1 1 36 36 ALA C C 36 177.826 177.826 178.003 -0.177 17839 2439 1 8 . 1 1 36 36 ALA CA C 36 53.137 53.137 53.826 -0.689 17839 2440 1 8 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.161 0.356 17839 2441 1 8 . 1 1 36 36 ALA H H 36 7.270 7.270 7.766 -0.496 17839 2442 1 8 . 1 1 37 37 LYS N N 37 116.671 116.671 113.966 2.705 17839 2443 1 8 . 1 1 37 37 LYS HA H 37 4.173 4.173 3.975 0.198 17839 2444 1 8 . 1 1 37 37 LYS C C 37 176.772 176.772 175.427 1.345 17839 2445 1 8 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.497 -0.960 17839 2446 1 8 . 1 1 37 37 LYS CB C 37 34.899 34.899 31.250 3.649 17839 2447 1 8 . 1 1 37 37 LYS H H 37 8.682 8.682 8.493 0.189 17839 2448 1 8 . 1 1 38 38 THR N N 38 106.220 106.220 109.114 -2.894 17839 2449 1 8 . 1 1 38 38 THR HA H 38 4.541 4.541 4.678 -0.137 17839 2450 1 8 . 1 1 38 38 THR C C 38 173.816 173.816 175.059 -1.243 17839 2451 1 8 . 1 1 38 38 THR CA C 38 58.209 58.209 60.324 -2.115 17839 2452 1 8 . 1 1 38 38 THR CB C 38 72.726 72.726 71.829 0.897 17839 2453 1 8 . 1 1 38 38 THR H H 38 7.232 7.232 7.596 -0.364 17839 2454 1 8 . 1 1 39 39 VAL N N 39 122.896 122.896 121.276 1.620 17839 2455 1 8 . 1 1 39 39 VAL HA H 39 2.878 2.878 4.166 -1.288 17839 2456 1 8 . 1 1 39 39 VAL C C 39 176.655 176.655 177.269 -0.614 17839 2457 1 8 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.021 2.097 17839 2458 1 8 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.688 -0.428 17839 2459 1 8 . 1 1 39 39 VAL H H 39 8.835 8.835 8.619 0.216 17839 2460 1 8 . 1 1 40 40 GLU N N 40 117.945 117.945 120.943 -2.998 17839 2461 1 8 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.172 -0.390 17839 2462 1 8 . 1 1 40 40 GLU C C 40 179.362 179.362 179.219 0.143 17839 2463 1 8 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.508 0.416 17839 2464 1 8 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.601 -0.345 17839 2465 1 8 . 1 1 40 40 GLU H H 40 8.735 8.735 9.127 -0.392 17839 2466 1 8 . 1 1 41 41 GLY N N 41 108.576 108.576 107.946 0.630 17839 2467 1 8 . 1 1 41 41 GLY C C 41 176.275 176.275 176.285 -0.010 17839 2468 1 8 . 1 1 41 41 GLY CA C 41 46.305 46.305 47.217 -0.912 17839 2469 1 8 . 1 1 41 41 GLY H H 41 8.019 8.019 8.562 -0.543 17839 2470 1 8 . 1 1 42 42 VAL N N 42 122.823 122.823 122.261 0.562 17839 2471 1 8 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.912 -0.169 17839 2472 1 8 . 1 1 42 42 VAL C C 42 177.211 177.211 177.851 -0.640 17839 2473 1 8 . 1 1 42 42 VAL CA C 42 67.317 67.317 65.246 2.071 17839 2474 1 8 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.575 -1.342 17839 2475 1 8 . 1 1 42 42 VAL H H 42 7.705 7.705 7.324 0.381 17839 2476 1 8 . 1 1 43 43 TRP N N 43 119.439 119.439 119.149 0.290 17839 2477 1 8 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.377 -0.065 17839 2478 1 8 . 1 1 43 43 TRP C C 43 178.879 178.879 178.666 0.213 17839 2479 1 8 . 1 1 43 43 TRP CA C 43 59.233 59.233 62.205 -2.972 17839 2480 1 8 . 1 1 43 43 TRP CB C 43 28.803 28.803 28.979 -0.176 17839 2481 1 8 . 1 1 43 43 TRP H H 43 7.497 7.497 8.792 -1.295 17839 2482 1 8 . 1 1 44 44 THR N N 44 115.130 115.130 114.080 1.050 17839 2483 1 8 . 1 1 44 44 THR HA H 44 3.877 3.877 3.964 -0.087 17839 2484 1 8 . 1 1 44 44 THR C C 44 177.299 177.299 176.712 0.587 17839 2485 1 8 . 1 1 44 44 THR CA C 44 66.178 66.178 65.833 0.345 17839 2486 1 8 . 1 1 44 44 THR CB C 44 68.938 68.938 68.479 0.459 17839 2487 1 8 . 1 1 44 44 THR H H 44 8.278 8.278 7.682 0.596 17839 2488 1 8 . 1 1 45 45 LEU N N 45 123.159 123.159 122.204 0.955 17839 2489 1 8 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.965 -0.026 17839 2490 1 8 . 1 1 45 45 LEU C C 45 178.235 178.235 178.380 -0.145 17839 2491 1 8 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.052 -0.405 17839 2492 1 8 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.604 0.704 17839 2493 1 8 . 1 1 45 45 LEU H H 45 7.835 7.835 7.780 0.055 17839 2494 1 8 . 1 1 46 46 LYS N N 46 119.348 119.348 119.082 0.266 17839 2495 1 8 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.891 -0.371 17839 2496 1 8 . 1 1 46 46 LYS C C 46 177.518 177.518 178.573 -1.055 17839 2497 1 8 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.937 0.621 17839 2498 1 8 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.925 -1.700 17839 2499 1 8 . 1 1 46 46 LYS H H 46 8.521 8.521 8.037 0.484 17839 2500 1 8 . 1 1 47 47 ASP N N 47 117.390 117.390 119.451 -2.061 17839 2501 1 8 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.449 -0.713 17839 2502 1 8 . 1 1 47 47 ASP C C 47 178.689 178.689 178.035 0.654 17839 2503 1 8 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.096 0.043 17839 2504 1 8 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.873 -1.077 17839 2505 1 8 . 1 1 47 47 ASP H H 47 7.450 7.450 7.781 -0.331 17839 2506 1 8 . 1 1 48 48 GLU N N 48 121.902 121.902 119.910 1.992 17839 2507 1 8 . 1 1 48 48 GLU HA H 48 3.760 3.760 3.954 -0.194 17839 2508 1 8 . 1 1 48 48 GLU C C 48 179.201 179.201 178.665 0.536 17839 2509 1 8 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.455 -0.383 17839 2510 1 8 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.355 0.306 17839 2511 1 8 . 1 1 48 48 GLU H H 48 7.732 7.732 7.496 0.236 17839 2512 1 8 . 1 1 49 49 ILE N N 49 120.605 120.605 117.803 2.802 17839 2513 1 8 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.183 -0.603 17839 2514 1 8 . 1 1 49 49 ILE C C 49 178.704 178.704 177.955 0.749 17839 2515 1 8 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.008 1.992 17839 2516 1 8 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.586 0.377 17839 2517 1 8 . 1 1 49 49 ILE H H 49 8.551 8.551 7.528 1.023 17839 2518 1 8 . 1 1 50 50 LYS N N 50 119.061 119.061 118.992 0.069 17839 2519 1 8 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.160 -0.451 17839 2520 1 8 . 1 1 50 50 LYS C C 50 177.753 177.753 177.703 0.050 17839 2521 1 8 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.672 0.992 17839 2522 1 8 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.951 -0.798 17839 2523 1 8 . 1 1 50 50 LYS H H 50 7.567 7.567 7.795 -0.228 17839 2524 1 8 . 1 1 51 51 THR N N 51 109.727 109.727 112.733 -3.006 17839 2525 1 8 . 1 1 51 51 THR HA H 51 4.148 4.148 4.416 -0.268 17839 2526 1 8 . 1 1 51 51 THR C C 51 175.440 175.440 175.741 -0.301 17839 2527 1 8 . 1 1 51 51 THR CA C 51 63.347 63.347 64.226 -0.879 17839 2528 1 8 . 1 1 51 51 THR CB C 51 69.707 69.707 70.777 -1.070 17839 2529 1 8 . 1 1 51 51 THR H H 51 7.426 7.426 7.729 -0.303 17839 2530 1 8 . 1 1 52 52 PHE N N 52 120.966 120.966 119.021 1.945 17839 2531 1 8 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.148 0.360 17839 2532 1 8 . 1 1 52 52 PHE C C 52 176.816 176.816 174.561 2.255 17839 2533 1 8 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.040 -2.080 17839 2534 1 8 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.454 0.070 17839 2535 1 8 . 1 1 52 52 PHE H H 52 7.446 7.446 8.547 -1.101 17839 2536 1 8 . 1 1 53 53 THR N N 53 114.357 114.357 115.606 -1.249 17839 2537 1 8 . 1 1 53 53 THR HA H 53 4.223 4.223 4.352 -0.129 17839 2538 1 8 . 1 1 53 53 THR C C 53 180.987 180.987 174.668 6.319 17839 2539 1 8 . 1 1 53 53 THR CA C 53 58.214 58.214 63.635 -5.420 17839 2540 1 8 . 1 1 53 53 THR CB C 53 70.157 70.157 68.628 1.529 17839 2541 1 8 . 1 1 53 53 THR H H 53 7.953 7.953 8.103 -0.150 17839 2542 1 8 . 1 1 54 54 VAL N N 54 122.097 122.097 122.622 -0.525 17839 2543 1 8 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.446 -0.344 17839 2544 1 8 . 1 1 54 54 VAL C C 54 179.509 179.509 174.809 4.700 17839 2545 1 8 . 1 1 54 54 VAL CA C 54 62.553 62.553 61.263 1.290 17839 2546 1 8 . 1 1 54 54 VAL CB C 54 32.722 32.722 33.983 -1.261 17839 2547 1 8 . 1 1 54 54 VAL H H 54 8.045 8.045 7.984 0.061 17839 2548 1 8 . 1 1 55 55 THR N N 55 118.590 118.590 118.609 -0.019 17839 2549 1 8 . 1 1 55 55 THR HA H 55 4.235 4.235 4.735 -0.500 17839 2550 1 8 . 1 1 55 55 THR CA C 55 61.732 61.732 62.151 -0.419 17839 2551 1 8 . 1 1 55 55 THR CB C 55 69.869 69.869 68.915 0.954 17839 2552 1 8 . 1 1 55 55 THR H H 55 8.209 8.209 8.286 -0.077 17839 2553 1 9 . 1 1 2 2 THR N N 2 128.640 128.640 116.619 12.021 17839 2554 1 9 . 1 1 2 2 THR HA H 2 4.125 4.125 4.781 -0.656 17839 2555 1 9 . 1 1 2 2 THR C C 2 173.743 173.743 173.254 0.489 17839 2556 1 9 . 1 1 2 2 THR CA C 2 61.651 61.651 62.585 -0.934 17839 2557 1 9 . 1 1 2 2 THR CB C 2 69.626 69.626 69.785 -0.159 17839 2558 1 9 . 1 1 2 2 THR H H 2 7.994 7.994 8.391 -0.397 17839 2559 1 9 . 1 1 3 3 TYR N N 3 124.112 124.112 126.659 -2.547 17839 2560 1 9 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.592 -0.410 17839 2561 1 9 . 1 1 3 3 TYR C C 3 175.675 175.675 175.654 0.021 17839 2562 1 9 . 1 1 3 3 TYR CA C 3 58.300 58.300 58.144 0.156 17839 2563 1 9 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.222 -0.704 17839 2564 1 9 . 1 1 3 3 TYR H H 3 8.325 8.325 8.528 -0.203 17839 2565 1 9 . 1 1 4 4 LYS N N 4 122.769 122.769 122.447 0.322 17839 2566 1 9 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.408 -0.525 17839 2567 1 9 . 1 1 4 4 LYS C C 4 175.923 175.923 175.643 0.280 17839 2568 1 9 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.651 0.772 17839 2569 1 9 . 1 1 4 4 LYS CB C 4 32.767 32.767 31.535 1.232 17839 2570 1 9 . 1 1 4 4 LYS H H 4 8.027 8.027 8.331 -0.304 17839 2571 1 9 . 1 1 5 5 LEU N N 5 122.314 122.314 125.450 -3.136 17839 2572 1 9 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.188 -0.128 17839 2573 1 9 . 1 1 5 5 LEU C C 5 177.167 177.167 176.993 0.174 17839 2574 1 9 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.080 0.209 17839 2575 1 9 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.964 1.052 17839 2576 1 9 . 1 1 5 5 LEU H H 5 7.919 7.919 8.672 -0.753 17839 2577 1 9 . 1 1 6 6 ILE N N 6 122.789 122.789 127.025 -4.236 17839 2578 1 9 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.006 -0.141 17839 2579 1 9 . 1 1 6 6 ILE C C 6 176.231 176.231 175.266 0.965 17839 2580 1 9 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.121 0.269 17839 2581 1 9 . 1 1 6 6 ILE CB C 6 37.859 37.859 37.990 -0.131 17839 2582 1 9 . 1 1 6 6 ILE H H 6 7.998 7.998 8.150 -0.152 17839 2583 1 9 . 1 1 7 7 LEU N N 7 125.831 125.831 127.910 -2.079 17839 2584 1 9 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.613 -0.433 17839 2585 1 9 . 1 1 7 7 LEU C C 7 177.079 177.079 176.466 0.613 17839 2586 1 9 . 1 1 7 7 LEU CA C 7 55.056 55.056 55.480 -0.424 17839 2587 1 9 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.511 1.207 17839 2588 1 9 . 1 1 7 7 LEU H H 7 8.099 8.099 8.358 -0.259 17839 2589 1 9 . 1 1 8 8 ASN N N 8 118.052 118.052 121.607 -3.555 17839 2590 1 9 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.889 -0.415 17839 2591 1 9 . 1 1 8 8 ASN C C 8 175.250 175.250 175.340 -0.090 17839 2592 1 9 . 1 1 8 8 ASN CA C 8 52.483 52.483 53.454 -0.971 17839 2593 1 9 . 1 1 8 8 ASN CB C 8 38.877 38.877 40.132 -1.255 17839 2594 1 9 . 1 1 8 8 ASN H H 8 8.058 8.058 8.433 -0.375 17839 2595 1 9 . 1 1 9 9 LEU N N 9 121.908 121.908 121.122 0.786 17839 2596 1 9 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.431 -0.779 17839 2597 1 9 . 1 1 9 9 LEU C C 9 177.065 177.065 178.288 -1.223 17839 2598 1 9 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.224 1.300 17839 2599 1 9 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.253 -0.303 17839 2600 1 9 . 1 1 9 9 LEU H H 9 8.251 8.251 8.276 -0.025 17839 2601 1 9 . 1 1 10 10 LYS N N 10 118.870 118.870 120.545 -1.675 17839 2602 1 9 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.991 -0.331 17839 2603 1 9 . 1 1 10 10 LYS C C 10 178.689 178.689 178.403 0.286 17839 2604 1 9 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.275 0.525 17839 2605 1 9 . 1 1 10 10 LYS CB C 10 32.269 32.269 30.979 1.290 17839 2606 1 9 . 1 1 10 10 LYS H H 10 7.940 7.940 8.633 -0.693 17839 2607 1 9 . 1 1 11 11 GLN N N 11 117.959 117.959 116.622 1.337 17839 2608 1 9 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.097 -0.200 17839 2609 1 9 . 1 1 11 11 GLN C C 11 179.084 179.084 178.143 0.941 17839 2610 1 9 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.691 0.494 17839 2611 1 9 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.045 1.426 17839 2612 1 9 . 1 1 11 11 GLN H H 11 7.549 7.549 8.661 -1.112 17839 2613 1 9 . 1 1 12 12 ALA N N 12 122.975 122.975 122.233 0.742 17839 2614 1 9 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.494 0.409 17839 2615 1 9 . 1 1 12 12 ALA C C 12 179.596 179.596 178.750 0.846 17839 2616 1 9 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.078 1.345 17839 2617 1 9 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.281 -0.065 17839 2618 1 9 . 1 1 12 12 ALA H H 12 8.363 8.363 8.612 -0.249 17839 2619 1 9 . 1 1 13 13 LYS N N 13 116.930 116.930 119.894 -2.964 17839 2620 1 9 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.001 -0.664 17839 2621 1 9 . 1 1 13 13 LYS C C 13 177.621 177.621 178.443 -0.822 17839 2622 1 9 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.317 1.370 17839 2623 1 9 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.969 0.914 17839 2624 1 9 . 1 1 13 13 LYS H H 13 8.097 8.097 7.952 0.145 17839 2625 1 9 . 1 1 14 14 GLU N N 14 116.977 116.977 119.332 -2.355 17839 2626 1 9 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.089 -0.375 17839 2627 1 9 . 1 1 14 14 GLU C C 14 180.065 180.065 178.502 1.563 17839 2628 1 9 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.024 0.560 17839 2629 1 9 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.251 -0.062 17839 2630 1 9 . 1 1 14 14 GLU H H 14 7.582 7.582 8.329 -0.747 17839 2631 1 9 . 1 1 15 15 GLU N N 15 119.464 119.464 119.894 -0.430 17839 2632 1 9 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.766 0.143 17839 2633 1 9 . 1 1 15 15 GLU C C 15 178.367 178.367 178.677 -0.310 17839 2634 1 9 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.117 -0.518 17839 2635 1 9 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.527 0.508 17839 2636 1 9 . 1 1 15 15 GLU H H 15 8.313 8.313 7.398 0.915 17839 2637 1 9 . 1 1 16 16 ALA N N 16 122.073 122.073 121.107 0.966 17839 2638 1 9 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.052 -0.274 17839 2639 1 9 . 1 1 16 16 ALA C C 16 179.245 179.245 179.404 -0.159 17839 2640 1 9 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.044 0.288 17839 2641 1 9 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.609 0.147 17839 2642 1 9 . 1 1 16 16 ALA H H 16 8.427 8.427 7.533 0.894 17839 2643 1 9 . 1 1 17 17 ILE N N 17 117.151 117.151 119.819 -2.668 17839 2644 1 9 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.490 -0.391 17839 2645 1 9 . 1 1 17 17 ILE C C 17 177.196 177.196 177.765 -0.569 17839 2646 1 9 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.777 -0.708 17839 2647 1 9 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.736 -1.103 17839 2648 1 9 . 1 1 17 17 ILE H H 17 8.177 8.177 7.682 0.495 17839 2649 1 9 . 1 1 18 18 LYS N N 18 119.317 119.317 119.054 0.263 17839 2650 1 9 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.876 -0.207 17839 2651 1 9 . 1 1 18 18 LYS C C 18 178.279 178.279 179.070 -0.791 17839 2652 1 9 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.431 0.544 17839 2653 1 9 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.200 -0.185 17839 2654 1 9 . 1 1 18 18 LYS H H 18 7.525 7.525 8.380 -0.855 17839 2655 1 9 . 1 1 19 19 GLU N N 19 119.267 119.267 119.144 0.123 17839 2656 1 9 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.089 -0.164 17839 2657 1 9 . 1 1 19 19 GLU C C 19 178.104 178.104 179.194 -1.090 17839 2658 1 9 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.783 0.121 17839 2659 1 9 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.529 -0.998 17839 2660 1 9 . 1 1 19 19 GLU H H 19 8.226 8.226 7.536 0.690 17839 2661 1 9 . 1 1 20 20 LEU N N 20 120.447 120.447 121.237 -0.790 17839 2662 1 9 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.100 -0.177 17839 2663 1 9 . 1 1 20 20 LEU C C 20 179.991 179.991 178.755 1.236 17839 2664 1 9 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.236 -0.134 17839 2665 1 9 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.121 -1.296 17839 2666 1 9 . 1 1 20 20 LEU H H 20 8.018 8.018 8.550 -0.532 17839 2667 1 9 . 1 1 21 21 VAL N N 21 124.479 124.479 116.372 8.107 17839 2668 1 9 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.778 0.040 17839 2669 1 9 . 1 1 21 21 VAL C C 21 177.431 177.431 177.284 0.147 17839 2670 1 9 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.086 1.293 17839 2671 1 9 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.592 0.395 17839 2672 1 9 . 1 1 21 21 VAL H H 21 9.048 9.048 7.858 1.190 17839 2673 1 9 . 1 1 22 22 ASP N N 22 121.941 121.941 119.272 2.669 17839 2674 1 9 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.518 -0.574 17839 2675 1 9 . 1 1 22 22 ASP C C 22 179.713 179.713 175.639 4.074 17839 2676 1 9 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.825 1.291 17839 2677 1 9 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.649 -2.149 17839 2678 1 9 . 1 1 22 22 ASP H H 22 8.077 8.077 7.669 0.408 17839 2679 1 9 . 1 1 23 23 ALA N N 23 116.831 116.831 120.134 -3.303 17839 2680 1 9 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.575 -0.395 17839 2681 1 9 . 1 1 23 23 ALA C C 23 177.855 177.855 177.275 0.580 17839 2682 1 9 . 1 1 23 23 ALA CA C 23 52.301 52.301 50.870 1.431 17839 2683 1 9 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.372 -2.382 17839 2684 1 9 . 1 1 23 23 ALA H H 23 6.897 6.897 7.131 -0.234 17839 2685 1 9 . 1 1 24 24 GLY N N 24 107.830 107.830 109.538 -1.708 17839 2686 1 9 . 1 1 24 24 GLY C C 24 174.665 174.665 174.029 0.636 17839 2687 1 9 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.626 0.185 17839 2688 1 9 . 1 1 24 24 GLY H H 24 8.002 8.002 8.654 -0.652 17839 2689 1 9 . 1 1 25 25 THR N N 25 117.914 117.914 116.183 1.731 17839 2690 1 9 . 1 1 25 25 THR HA H 25 3.818 3.818 4.385 -0.567 17839 2691 1 9 . 1 1 25 25 THR C C 25 173.187 173.187 173.927 -0.740 17839 2692 1 9 . 1 1 25 25 THR CA C 25 64.001 64.001 59.745 4.256 17839 2693 1 9 . 1 1 25 25 THR CB C 25 69.674 69.674 70.892 -1.218 17839 2694 1 9 . 1 1 25 25 THR H H 25 7.784 7.784 8.219 -0.435 17839 2695 1 9 . 1 1 26 26 ALA N N 26 128.480 128.480 122.615 5.865 17839 2696 1 9 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.622 -0.625 17839 2697 1 9 . 1 1 26 26 ALA C C 26 177.884 177.884 178.103 -0.219 17839 2698 1 9 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.286 1.823 17839 2699 1 9 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.819 -0.951 17839 2700 1 9 . 1 1 26 26 ALA H H 26 8.749 8.749 8.855 -0.106 17839 2701 1 9 . 1 1 27 27 GLU N N 27 120.909 120.909 118.502 2.407 17839 2702 1 9 . 1 1 27 27 GLU HA H 27 2.239 2.239 4.165 -1.926 17839 2703 1 9 . 1 1 27 27 GLU C C 27 178.631 178.631 177.432 1.199 17839 2704 1 9 . 1 1 27 27 GLU CA C 27 57.838 57.838 58.777 -0.939 17839 2705 1 9 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.900 0.018 17839 2706 1 9 . 1 1 27 27 GLU H H 27 8.150 8.150 8.821 -0.671 17839 2707 1 9 . 1 1 28 28 LYS N N 28 117.447 117.447 119.159 -1.712 17839 2708 1 9 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.734 0.055 17839 2709 1 9 . 1 1 28 28 LYS C C 28 177.211 177.211 178.459 -1.248 17839 2710 1 9 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.283 -0.193 17839 2711 1 9 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.679 0.317 17839 2712 1 9 . 1 1 28 28 LYS H H 28 7.989 7.989 8.459 -0.470 17839 2713 1 9 . 1 1 29 29 TYR N N 29 116.462 116.462 117.763 -1.301 17839 2714 1 9 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.144 0.243 17839 2715 1 9 . 1 1 29 29 TYR C C 29 177.313 177.313 178.187 -0.874 17839 2716 1 9 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.843 -1.486 17839 2717 1 9 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.460 0.996 17839 2718 1 9 . 1 1 29 29 TYR H H 29 7.273 7.273 7.275 -0.002 17839 2719 1 9 . 1 1 30 30 PHE N N 30 119.334 119.334 116.750 2.584 17839 2720 1 9 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.351 -0.271 17839 2721 1 9 . 1 1 30 30 PHE C C 30 178.762 178.762 177.325 1.437 17839 2722 1 9 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.235 -0.663 17839 2723 1 9 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.747 4.374 17839 2724 1 9 . 1 1 30 30 PHE H H 30 7.991 7.991 7.814 0.177 17839 2725 1 9 . 1 1 31 31 LYS N N 31 118.612 118.612 120.541 -1.929 17839 2726 1 9 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.267 -0.363 17839 2727 1 9 . 1 1 31 31 LYS C C 31 177.694 177.694 179.064 -1.370 17839 2728 1 9 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.016 -0.396 17839 2729 1 9 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.441 -0.889 17839 2730 1 9 . 1 1 31 31 LYS H H 31 7.916 7.916 6.988 0.928 17839 2731 1 9 . 1 1 32 32 LEU N N 32 117.737 117.737 120.111 -2.374 17839 2732 1 9 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.115 -0.350 17839 2733 1 9 . 1 1 32 32 LEU C C 32 177.021 177.021 179.017 -1.996 17839 2734 1 9 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.467 -0.126 17839 2735 1 9 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.511 -1.094 17839 2736 1 9 . 1 1 32 32 LEU H H 32 7.316 7.316 8.245 -0.929 17839 2737 1 9 . 1 1 33 33 ILE N N 33 119.064 119.064 115.754 3.310 17839 2738 1 9 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.935 -0.283 17839 2739 1 9 . 1 1 33 33 ILE C C 33 177.489 177.489 177.855 -0.366 17839 2740 1 9 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.116 -2.331 17839 2741 1 9 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.250 -1.548 17839 2742 1 9 . 1 1 33 33 ILE H H 33 7.620 7.620 8.460 -0.840 17839 2743 1 9 . 1 1 34 34 ALA N N 34 119.319 119.319 121.707 -2.388 17839 2744 1 9 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.971 -0.191 17839 2745 1 9 . 1 1 34 34 ALA C C 34 179.128 179.128 178.400 0.728 17839 2746 1 9 . 1 1 34 34 ALA CA C 34 54.852 54.852 55.037 -0.185 17839 2747 1 9 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.032 0.218 17839 2748 1 9 . 1 1 34 34 ALA H H 34 7.594 7.594 7.794 -0.200 17839 2749 1 9 . 1 1 35 35 ASN N N 35 112.212 112.212 115.647 -3.435 17839 2750 1 9 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.603 -0.110 17839 2751 1 9 . 1 1 35 35 ASN C C 35 175.265 175.265 175.344 -0.079 17839 2752 1 9 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.918 -1.322 17839 2753 1 9 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.896 0.011 17839 2754 1 9 . 1 1 35 35 ASN H H 35 7.264 7.264 7.915 -0.651 17839 2755 1 9 . 1 1 36 36 ALA N N 36 124.435 124.435 123.824 0.611 17839 2756 1 9 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.307 -0.298 17839 2757 1 9 . 1 1 36 36 ALA C C 36 177.826 177.826 177.536 0.290 17839 2758 1 9 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.805 0.332 17839 2759 1 9 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.691 -0.174 17839 2760 1 9 . 1 1 36 36 ALA H H 36 7.270 7.270 7.659 -0.389 17839 2761 1 9 . 1 1 37 37 LYS N N 37 116.671 116.671 121.438 -4.767 17839 2762 1 9 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.226 -0.053 17839 2763 1 9 . 1 1 37 37 LYS C C 37 176.772 176.772 175.740 1.032 17839 2764 1 9 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.050 -0.513 17839 2765 1 9 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.494 2.405 17839 2766 1 9 . 1 1 37 37 LYS H H 37 8.682 8.682 8.472 0.210 17839 2767 1 9 . 1 1 38 38 THR N N 38 106.220 106.220 109.893 -3.673 17839 2768 1 9 . 1 1 38 38 THR HA H 38 4.541 4.541 4.575 -0.034 17839 2769 1 9 . 1 1 38 38 THR C C 38 173.816 173.816 175.413 -1.597 17839 2770 1 9 . 1 1 38 38 THR CA C 38 58.209 58.209 60.377 -2.168 17839 2771 1 9 . 1 1 38 38 THR CB C 38 72.726 72.726 71.694 1.032 17839 2772 1 9 . 1 1 38 38 THR H H 38 7.232 7.232 7.407 -0.175 17839 2773 1 9 . 1 1 39 39 VAL N N 39 122.896 122.896 121.419 1.477 17839 2774 1 9 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.939 -1.061 17839 2775 1 9 . 1 1 39 39 VAL C C 39 176.655 176.655 177.341 -0.686 17839 2776 1 9 . 1 1 39 39 VAL CA C 39 67.118 67.118 66.207 0.911 17839 2777 1 9 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.339 -0.079 17839 2778 1 9 . 1 1 39 39 VAL H H 39 8.835 8.835 8.768 0.067 17839 2779 1 9 . 1 1 40 40 GLU N N 40 117.945 117.945 120.210 -2.265 17839 2780 1 9 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.175 -0.393 17839 2781 1 9 . 1 1 40 40 GLU C C 40 179.362 179.362 179.000 0.362 17839 2782 1 9 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.081 0.842 17839 2783 1 9 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.318 -0.062 17839 2784 1 9 . 1 1 40 40 GLU H H 40 8.735 8.735 9.012 -0.277 17839 2785 1 9 . 1 1 41 41 GLY N N 41 108.576 108.576 108.083 0.493 17839 2786 1 9 . 1 1 41 41 GLY C C 41 176.275 176.275 175.711 0.564 17839 2787 1 9 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.715 -0.410 17839 2788 1 9 . 1 1 41 41 GLY H H 41 8.019 8.019 7.597 0.422 17839 2789 1 9 . 1 1 42 42 VAL N N 42 122.823 122.823 122.711 0.112 17839 2790 1 9 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.765 -0.022 17839 2791 1 9 . 1 1 42 42 VAL C C 42 177.211 177.211 177.960 -0.749 17839 2792 1 9 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.246 1.071 17839 2793 1 9 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.962 -1.729 17839 2794 1 9 . 1 1 42 42 VAL H H 42 7.705 7.705 7.286 0.419 17839 2795 1 9 . 1 1 43 43 TRP N N 43 119.439 119.439 118.890 0.549 17839 2796 1 9 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.414 -0.102 17839 2797 1 9 . 1 1 43 43 TRP C C 43 178.879 178.879 178.656 0.223 17839 2798 1 9 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.931 -2.698 17839 2799 1 9 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.038 -0.235 17839 2800 1 9 . 1 1 43 43 TRP H H 43 7.497 7.497 8.784 -1.287 17839 2801 1 9 . 1 1 44 44 THR N N 44 115.130 115.130 114.342 0.788 17839 2802 1 9 . 1 1 44 44 THR HA H 44 3.877 3.877 4.343 -0.466 17839 2803 1 9 . 1 1 44 44 THR C C 44 177.299 177.299 176.796 0.503 17839 2804 1 9 . 1 1 44 44 THR CA C 44 66.178 66.178 65.172 1.006 17839 2805 1 9 . 1 1 44 44 THR CB C 44 68.938 68.938 68.758 0.180 17839 2806 1 9 . 1 1 44 44 THR H H 44 8.278 8.278 7.635 0.643 17839 2807 1 9 . 1 1 45 45 LEU N N 45 123.159 123.159 121.613 1.546 17839 2808 1 9 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.007 -0.068 17839 2809 1 9 . 1 1 45 45 LEU C C 45 178.235 178.235 178.781 -0.546 17839 2810 1 9 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.482 0.165 17839 2811 1 9 . 1 1 45 45 LEU CB C 45 42.308 42.308 40.776 1.532 17839 2812 1 9 . 1 1 45 45 LEU H H 45 7.835 7.835 7.804 0.031 17839 2813 1 9 . 1 1 46 46 LYS N N 46 119.348 119.348 119.432 -0.084 17839 2814 1 9 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.916 -0.396 17839 2815 1 9 . 1 1 46 46 LYS C C 46 177.518 177.518 178.539 -1.021 17839 2816 1 9 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.448 1.110 17839 2817 1 9 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.728 -1.503 17839 2818 1 9 . 1 1 46 46 LYS H H 46 8.521 8.521 7.911 0.610 17839 2819 1 9 . 1 1 47 47 ASP N N 47 117.390 117.390 118.556 -1.166 17839 2820 1 9 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.409 -0.673 17839 2821 1 9 . 1 1 47 47 ASP C C 47 178.689 178.689 178.275 0.414 17839 2822 1 9 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.484 -0.345 17839 2823 1 9 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.121 -0.325 17839 2824 1 9 . 1 1 47 47 ASP H H 47 7.450 7.450 7.973 -0.523 17839 2825 1 9 . 1 1 48 48 GLU N N 48 121.902 121.902 118.773 3.129 17839 2826 1 9 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.081 -0.321 17839 2827 1 9 . 1 1 48 48 GLU C C 48 179.201 179.201 178.585 0.616 17839 2828 1 9 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.700 0.372 17839 2829 1 9 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.505 0.156 17839 2830 1 9 . 1 1 48 48 GLU H H 48 7.732 7.732 7.459 0.273 17839 2831 1 9 . 1 1 49 49 ILE N N 49 120.605 120.605 119.246 1.359 17839 2832 1 9 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.184 -0.604 17839 2833 1 9 . 1 1 49 49 ILE C C 49 178.704 178.704 177.946 0.758 17839 2834 1 9 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.157 0.844 17839 2835 1 9 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.103 0.860 17839 2836 1 9 . 1 1 49 49 ILE H H 49 8.551 8.551 7.698 0.853 17839 2837 1 9 . 1 1 50 50 LYS N N 50 119.061 119.061 119.926 -0.865 17839 2838 1 9 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.126 -0.417 17839 2839 1 9 . 1 1 50 50 LYS C C 50 177.753 177.753 178.050 -0.297 17839 2840 1 9 . 1 1 50 50 LYS CA C 50 59.664 59.664 59.138 0.526 17839 2841 1 9 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.996 -0.843 17839 2842 1 9 . 1 1 50 50 LYS H H 50 7.567 7.567 7.792 -0.225 17839 2843 1 9 . 1 1 51 51 THR N N 51 109.727 109.727 112.270 -2.543 17839 2844 1 9 . 1 1 51 51 THR HA H 51 4.148 4.148 4.378 -0.230 17839 2845 1 9 . 1 1 51 51 THR C C 51 175.440 175.440 175.199 0.241 17839 2846 1 9 . 1 1 51 51 THR CA C 51 63.347 63.347 63.513 -0.166 17839 2847 1 9 . 1 1 51 51 THR CB C 51 69.707 69.707 70.147 -0.440 17839 2848 1 9 . 1 1 51 51 THR H H 51 7.426 7.426 7.772 -0.346 17839 2849 1 9 . 1 1 52 52 PHE N N 52 120.966 120.966 119.979 0.987 17839 2850 1 9 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.096 0.412 17839 2851 1 9 . 1 1 52 52 PHE C C 52 176.816 176.816 175.905 0.911 17839 2852 1 9 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.212 -2.252 17839 2853 1 9 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.146 0.378 17839 2854 1 9 . 1 1 52 52 PHE H H 52 7.446 7.446 8.464 -1.018 17839 2855 1 9 . 1 1 53 53 THR N N 53 114.357 114.357 111.042 3.315 17839 2856 1 9 . 1 1 53 53 THR HA H 53 4.223 4.223 3.823 0.400 17839 2857 1 9 . 1 1 53 53 THR C C 53 180.987 180.987 174.573 6.414 17839 2858 1 9 . 1 1 53 53 THR CA C 53 58.214 58.214 64.719 -6.505 17839 2859 1 9 . 1 1 53 53 THR CB C 53 70.157 70.157 68.777 1.380 17839 2860 1 9 . 1 1 53 53 THR H H 53 7.953 7.953 8.278 -0.325 17839 2861 1 9 . 1 1 54 54 VAL N N 54 122.097 122.097 121.542 0.555 17839 2862 1 9 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.305 -0.203 17839 2863 1 9 . 1 1 54 54 VAL C C 54 179.509 179.509 175.688 3.821 17839 2864 1 9 . 1 1 54 54 VAL CA C 54 62.553 62.553 62.104 0.449 17839 2865 1 9 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.662 0.060 17839 2866 1 9 . 1 1 54 54 VAL H H 54 8.045 8.045 8.000 0.045 17839 2867 1 9 . 1 1 55 55 THR N N 55 118.590 118.590 115.367 3.223 17839 2868 1 9 . 1 1 55 55 THR HA H 55 4.235 4.235 4.633 -0.398 17839 2869 1 9 . 1 1 55 55 THR CA C 55 61.732 61.732 61.244 0.488 17839 2870 1 9 . 1 1 55 55 THR CB C 55 69.869 69.869 70.845 -0.976 17839 2871 1 9 . 1 1 55 55 THR H H 55 8.209 8.209 8.038 0.171 17839 2872 1 10 . 1 1 2 2 THR N N 2 128.640 128.640 115.360 13.280 17839 2873 1 10 . 1 1 2 2 THR HA H 2 4.125 4.125 4.508 -0.383 17839 2874 1 10 . 1 1 2 2 THR C C 2 173.743 173.743 174.771 -1.028 17839 2875 1 10 . 1 1 2 2 THR CA C 2 61.651 61.651 63.316 -1.665 17839 2876 1 10 . 1 1 2 2 THR CB C 2 69.626 69.626 69.808 -0.182 17839 2877 1 10 . 1 1 2 2 THR H H 2 7.994 7.994 8.157 -0.163 17839 2878 1 10 . 1 1 3 3 TYR N N 3 124.112 124.112 120.129 3.983 17839 2879 1 10 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.677 -0.495 17839 2880 1 10 . 1 1 3 3 TYR C C 3 175.675 175.675 174.790 0.885 17839 2881 1 10 . 1 1 3 3 TYR CA C 3 58.300 58.300 58.235 0.065 17839 2882 1 10 . 1 1 3 3 TYR CB C 3 38.518 38.518 40.425 -1.907 17839 2883 1 10 . 1 1 3 3 TYR H H 3 8.325 8.325 7.789 0.536 17839 2884 1 10 . 1 1 4 4 LYS N N 4 122.769 122.769 121.959 0.810 17839 2885 1 10 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.605 -0.722 17839 2886 1 10 . 1 1 4 4 LYS C C 4 175.923 175.923 175.582 0.341 17839 2887 1 10 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.323 1.100 17839 2888 1 10 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.232 -0.465 17839 2889 1 10 . 1 1 4 4 LYS H H 4 8.027 8.027 8.070 -0.043 17839 2890 1 10 . 1 1 5 5 LEU N N 5 122.314 122.314 124.844 -2.530 17839 2891 1 10 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.195 -0.135 17839 2892 1 10 . 1 1 5 5 LEU C C 5 177.167 177.167 176.946 0.221 17839 2893 1 10 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.138 0.151 17839 2894 1 10 . 1 1 5 5 LEU CB C 5 42.015 42.015 41.165 0.850 17839 2895 1 10 . 1 1 5 5 LEU H H 5 7.919 7.919 8.821 -0.902 17839 2896 1 10 . 1 1 6 6 ILE N N 6 122.789 122.789 126.691 -3.902 17839 2897 1 10 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.010 -0.145 17839 2898 1 10 . 1 1 6 6 ILE C C 6 176.231 176.231 174.933 1.298 17839 2899 1 10 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.691 -0.302 17839 2900 1 10 . 1 1 6 6 ILE CB C 6 37.859 37.859 37.788 0.070 17839 2901 1 10 . 1 1 6 6 ILE H H 6 7.998 7.998 8.151 -0.153 17839 2902 1 10 . 1 1 7 7 LEU N N 7 125.831 125.831 126.730 -0.899 17839 2903 1 10 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.910 -0.730 17839 2904 1 10 . 1 1 7 7 LEU C C 7 177.079 177.079 175.412 1.667 17839 2905 1 10 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.395 0.661 17839 2906 1 10 . 1 1 7 7 LEU CB C 7 42.718 42.718 44.304 -1.586 17839 2907 1 10 . 1 1 7 7 LEU H H 7 8.099 8.099 8.204 -0.105 17839 2908 1 10 . 1 1 8 8 ASN N N 8 118.052 118.052 119.989 -1.937 17839 2909 1 10 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.833 -0.359 17839 2910 1 10 . 1 1 8 8 ASN C C 8 175.250 175.250 175.910 -0.660 17839 2911 1 10 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.319 0.164 17839 2912 1 10 . 1 1 8 8 ASN CB C 8 38.877 38.877 40.896 -2.019 17839 2913 1 10 . 1 1 8 8 ASN H H 8 8.058 8.058 8.158 -0.100 17839 2914 1 10 . 1 1 9 9 LEU N N 9 121.908 121.908 122.796 -0.888 17839 2915 1 10 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.018 -0.366 17839 2916 1 10 . 1 1 9 9 LEU C C 9 177.065 177.065 178.300 -1.235 17839 2917 1 10 . 1 1 9 9 LEU CA C 9 58.524 58.524 58.482 0.042 17839 2918 1 10 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.451 0.499 17839 2919 1 10 . 1 1 9 9 LEU H H 9 8.251 8.251 8.786 -0.535 17839 2920 1 10 . 1 1 10 10 LYS N N 10 118.870 118.870 118.973 -0.103 17839 2921 1 10 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.905 -0.245 17839 2922 1 10 . 1 1 10 10 LYS C C 10 178.689 178.689 178.855 -0.166 17839 2923 1 10 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.117 0.683 17839 2924 1 10 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.131 1.138 17839 2925 1 10 . 1 1 10 10 LYS H H 10 7.940 7.940 8.522 -0.582 17839 2926 1 10 . 1 1 11 11 GLN N N 11 117.959 117.959 117.641 0.318 17839 2927 1 10 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.353 -0.456 17839 2928 1 10 . 1 1 11 11 GLN C C 11 179.084 179.084 178.776 0.308 17839 2929 1 10 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.541 0.644 17839 2930 1 10 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.212 1.259 17839 2931 1 10 . 1 1 11 11 GLN H H 11 7.549 7.549 8.165 -0.616 17839 2932 1 10 . 1 1 12 12 ALA N N 12 122.975 122.975 122.205 0.770 17839 2933 1 10 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.520 0.383 17839 2934 1 10 . 1 1 12 12 ALA C C 12 179.596 179.596 178.795 0.801 17839 2935 1 10 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.064 1.359 17839 2936 1 10 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.382 -0.166 17839 2937 1 10 . 1 1 12 12 ALA H H 12 8.363 8.363 8.518 -0.155 17839 2938 1 10 . 1 1 13 13 LYS N N 13 116.930 116.930 120.328 -3.398 17839 2939 1 10 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.026 -0.689 17839 2940 1 10 . 1 1 13 13 LYS C C 13 177.621 177.621 178.486 -0.865 17839 2941 1 10 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.272 1.415 17839 2942 1 10 . 1 1 13 13 LYS CB C 13 32.883 32.883 32.160 0.723 17839 2943 1 10 . 1 1 13 13 LYS H H 13 8.097 8.097 8.152 -0.055 17839 2944 1 10 . 1 1 14 14 GLU N N 14 116.977 116.977 118.221 -1.244 17839 2945 1 10 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.085 -0.371 17839 2946 1 10 . 1 1 14 14 GLU C C 14 180.065 180.065 178.542 1.523 17839 2947 1 10 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.152 0.432 17839 2948 1 10 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.033 0.156 17839 2949 1 10 . 1 1 14 14 GLU H H 14 7.582 7.582 8.698 -1.116 17839 2950 1 10 . 1 1 15 15 GLU N N 15 119.464 119.464 120.654 -1.190 17839 2951 1 10 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.777 0.132 17839 2952 1 10 . 1 1 15 15 GLU C C 15 178.367 178.367 178.693 -0.326 17839 2953 1 10 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.013 -0.414 17839 2954 1 10 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.524 0.511 17839 2955 1 10 . 1 1 15 15 GLU H H 15 8.313 8.313 7.360 0.953 17839 2956 1 10 . 1 1 16 16 ALA N N 16 122.073 122.073 121.099 0.974 17839 2957 1 10 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.135 -0.357 17839 2958 1 10 . 1 1 16 16 ALA C C 16 179.245 179.245 179.561 -0.316 17839 2959 1 10 . 1 1 16 16 ALA CA C 16 55.332 55.332 54.974 0.358 17839 2960 1 10 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.632 0.124 17839 2961 1 10 . 1 1 16 16 ALA H H 16 8.427 8.427 7.501 0.926 17839 2962 1 10 . 1 1 17 17 ILE N N 17 117.151 117.151 119.700 -2.549 17839 2963 1 10 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.573 -0.474 17839 2964 1 10 . 1 1 17 17 ILE C C 17 177.196 177.196 178.007 -0.811 17839 2965 1 10 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.457 -0.387 17839 2966 1 10 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.700 -1.066 17839 2967 1 10 . 1 1 17 17 ILE H H 17 8.177 8.177 7.804 0.373 17839 2968 1 10 . 1 1 18 18 LYS N N 18 119.317 119.317 119.593 -0.276 17839 2969 1 10 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.906 -0.237 17839 2970 1 10 . 1 1 18 18 LYS C C 18 178.279 178.279 179.174 -0.895 17839 2971 1 10 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.848 0.127 17839 2972 1 10 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.206 -0.191 17839 2973 1 10 . 1 1 18 18 LYS H H 18 7.525 7.525 8.534 -1.009 17839 2974 1 10 . 1 1 19 19 GLU N N 19 119.267 119.267 118.716 0.551 17839 2975 1 10 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.108 -0.183 17839 2976 1 10 . 1 1 19 19 GLU C C 19 178.104 178.104 179.308 -1.204 17839 2977 1 10 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.023 -0.117 17839 2978 1 10 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.621 -1.090 17839 2979 1 10 . 1 1 19 19 GLU H H 19 8.226 8.226 7.573 0.653 17839 2980 1 10 . 1 1 20 20 LEU N N 20 120.447 120.447 120.278 0.169 17839 2981 1 10 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.231 -0.308 17839 2982 1 10 . 1 1 20 20 LEU C C 20 179.991 179.991 178.228 1.763 17839 2983 1 10 . 1 1 20 20 LEU CA C 20 58.102 58.102 57.513 0.589 17839 2984 1 10 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.119 -1.294 17839 2985 1 10 . 1 1 20 20 LEU H H 20 8.018 8.018 8.499 -0.481 17839 2986 1 10 . 1 1 21 21 VAL N N 21 124.479 124.479 117.124 7.355 17839 2987 1 10 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.825 -0.007 17839 2988 1 10 . 1 1 21 21 VAL C C 21 177.431 177.431 177.641 -0.210 17839 2989 1 10 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.188 1.192 17839 2990 1 10 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.734 0.253 17839 2991 1 10 . 1 1 21 21 VAL H H 21 9.048 9.048 7.823 1.225 17839 2992 1 10 . 1 1 22 22 ASP N N 22 121.941 121.941 120.079 1.862 17839 2993 1 10 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.595 -0.651 17839 2994 1 10 . 1 1 22 22 ASP C C 22 179.713 179.713 175.705 4.008 17839 2995 1 10 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.177 1.939 17839 2996 1 10 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.930 -2.430 17839 2997 1 10 . 1 1 22 22 ASP H H 22 8.077 8.077 7.683 0.394 17839 2998 1 10 . 1 1 23 23 ALA N N 23 116.831 116.831 120.058 -3.227 17839 2999 1 10 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.640 -0.460 17839 3000 1 10 . 1 1 23 23 ALA C C 23 177.855 177.855 177.691 0.164 17839 3001 1 10 . 1 1 23 23 ALA CA C 23 52.301 52.301 50.898 1.403 17839 3002 1 10 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.031 -2.041 17839 3003 1 10 . 1 1 23 23 ALA H H 23 6.897 6.897 7.337 -0.440 17839 3004 1 10 . 1 1 24 24 GLY N N 24 107.830 107.830 107.293 0.537 17839 3005 1 10 . 1 1 24 24 GLY C C 24 174.665 174.665 175.487 -0.822 17839 3006 1 10 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.656 -0.845 17839 3007 1 10 . 1 1 24 24 GLY H H 24 8.002 8.002 8.555 -0.553 17839 3008 1 10 . 1 1 25 25 THR N N 25 117.914 117.914 113.507 4.407 17839 3009 1 10 . 1 1 25 25 THR HA H 25 3.818 3.818 3.079 0.739 17839 3010 1 10 . 1 1 25 25 THR C C 25 173.187 173.187 173.164 0.023 17839 3011 1 10 . 1 1 25 25 THR CA C 25 64.001 64.001 63.536 0.465 17839 3012 1 10 . 1 1 25 25 THR CB C 25 69.674 69.674 68.537 1.137 17839 3013 1 10 . 1 1 25 25 THR H H 25 7.784 7.784 7.703 0.081 17839 3014 1 10 . 1 1 26 26 ALA N N 26 128.480 128.480 122.979 5.501 17839 3015 1 10 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.520 -0.523 17839 3016 1 10 . 1 1 26 26 ALA C C 26 177.884 177.884 176.497 1.387 17839 3017 1 10 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.775 1.334 17839 3018 1 10 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.395 -1.527 17839 3019 1 10 . 1 1 26 26 ALA H H 26 8.749 8.749 8.127 0.622 17839 3020 1 10 . 1 1 27 27 GLU N N 27 120.909 120.909 123.888 -2.979 17839 3021 1 10 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.253 -1.014 17839 3022 1 10 . 1 1 27 27 GLU C C 27 178.631 178.631 176.813 1.818 17839 3023 1 10 . 1 1 27 27 GLU CA C 27 57.838 57.838 58.776 -0.938 17839 3024 1 10 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.777 0.141 17839 3025 1 10 . 1 1 27 27 GLU H H 27 8.150 8.150 8.851 -0.701 17839 3026 1 10 . 1 1 28 28 LYS N N 28 117.447 117.447 117.163 0.284 17839 3027 1 10 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.755 0.034 17839 3028 1 10 . 1 1 28 28 LYS C C 28 177.211 177.211 178.618 -1.407 17839 3029 1 10 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.107 -0.017 17839 3030 1 10 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.896 0.100 17839 3031 1 10 . 1 1 28 28 LYS H H 28 7.989 7.989 8.179 -0.190 17839 3032 1 10 . 1 1 29 29 TYR N N 29 116.462 116.462 118.564 -2.102 17839 3033 1 10 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.225 0.162 17839 3034 1 10 . 1 1 29 29 TYR C C 29 177.313 177.313 177.778 -0.465 17839 3035 1 10 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.963 -1.605 17839 3036 1 10 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.437 1.019 17839 3037 1 10 . 1 1 29 29 TYR H H 29 7.273 7.273 7.263 0.010 17839 3038 1 10 . 1 1 30 30 PHE N N 30 119.334 119.334 118.103 1.231 17839 3039 1 10 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.264 -0.184 17839 3040 1 10 . 1 1 30 30 PHE C C 30 178.762 178.762 176.905 1.857 17839 3041 1 10 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.033 -0.461 17839 3042 1 10 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.694 4.427 17839 3043 1 10 . 1 1 30 30 PHE H H 30 7.991 7.991 7.603 0.388 17839 3044 1 10 . 1 1 31 31 LYS N N 31 118.612 118.612 120.120 -1.508 17839 3045 1 10 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.312 -0.408 17839 3046 1 10 . 1 1 31 31 LYS C C 31 177.694 177.694 178.767 -1.073 17839 3047 1 10 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.893 -0.273 17839 3048 1 10 . 1 1 31 31 LYS CB C 31 31.552 31.552 31.913 -0.361 17839 3049 1 10 . 1 1 31 31 LYS H H 31 7.916 7.916 7.506 0.410 17839 3050 1 10 . 1 1 32 32 LEU N N 32 117.737 117.737 119.717 -1.980 17839 3051 1 10 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.127 -0.362 17839 3052 1 10 . 1 1 32 32 LEU C C 32 177.021 177.021 178.174 -1.153 17839 3053 1 10 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.184 0.157 17839 3054 1 10 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.234 -0.817 17839 3055 1 10 . 1 1 32 32 LEU H H 32 7.316 7.316 7.269 0.047 17839 3056 1 10 . 1 1 33 33 ILE N N 33 119.064 119.064 113.678 5.386 17839 3057 1 10 . 1 1 33 33 ILE HA H 33 3.652 3.652 4.060 -0.408 17839 3058 1 10 . 1 1 33 33 ILE C C 33 177.489 177.489 177.900 -0.411 17839 3059 1 10 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.466 -1.681 17839 3060 1 10 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.691 -1.988 17839 3061 1 10 . 1 1 33 33 ILE H H 33 7.620 7.620 8.127 -0.507 17839 3062 1 10 . 1 1 34 34 ALA N N 34 119.319 119.319 121.946 -2.627 17839 3063 1 10 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.999 -0.219 17839 3064 1 10 . 1 1 34 34 ALA C C 34 179.128 179.128 178.359 0.769 17839 3065 1 10 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.896 -0.044 17839 3066 1 10 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.175 0.075 17839 3067 1 10 . 1 1 34 34 ALA H H 34 7.594 7.594 7.854 -0.260 17839 3068 1 10 . 1 1 35 35 ASN N N 35 112.212 112.212 116.311 -4.099 17839 3069 1 10 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.639 -0.146 17839 3070 1 10 . 1 1 35 35 ASN C C 35 175.265 175.265 175.062 0.203 17839 3071 1 10 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.815 -1.219 17839 3072 1 10 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.520 -0.613 17839 3073 1 10 . 1 1 35 35 ASN H H 35 7.264 7.264 7.839 -0.575 17839 3074 1 10 . 1 1 36 36 ALA N N 36 124.435 124.435 124.458 -0.023 17839 3075 1 10 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.271 -0.262 17839 3076 1 10 . 1 1 36 36 ALA C C 36 177.826 177.826 177.259 0.567 17839 3077 1 10 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.225 0.912 17839 3078 1 10 . 1 1 36 36 ALA CB C 36 19.517 19.517 18.660 0.857 17839 3079 1 10 . 1 1 36 36 ALA H H 36 7.270 7.270 7.817 -0.547 17839 3080 1 10 . 1 1 37 37 LYS N N 37 116.671 116.671 122.979 -6.308 17839 3081 1 10 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.035 0.138 17839 3082 1 10 . 1 1 37 37 LYS C C 37 176.772 176.772 176.116 0.656 17839 3083 1 10 . 1 1 37 37 LYS CA C 37 56.537 56.537 58.241 -1.704 17839 3084 1 10 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.655 2.244 17839 3085 1 10 . 1 1 37 37 LYS H H 37 8.682 8.682 8.417 0.265 17839 3086 1 10 . 1 1 38 38 THR N N 38 106.220 106.220 108.418 -2.198 17839 3087 1 10 . 1 1 38 38 THR HA H 38 4.541 4.541 4.467 0.074 17839 3088 1 10 . 1 1 38 38 THR C C 38 173.816 173.816 175.629 -1.813 17839 3089 1 10 . 1 1 38 38 THR CA C 38 58.209 58.209 60.734 -2.525 17839 3090 1 10 . 1 1 38 38 THR CB C 38 72.726 72.726 70.793 1.933 17839 3091 1 10 . 1 1 38 38 THR H H 38 7.232 7.232 7.468 -0.236 17839 3092 1 10 . 1 1 39 39 VAL N N 39 122.896 122.896 121.242 1.654 17839 3093 1 10 . 1 1 39 39 VAL HA H 39 2.878 2.878 4.016 -1.138 17839 3094 1 10 . 1 1 39 39 VAL C C 39 176.655 176.655 177.748 -1.093 17839 3095 1 10 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.890 1.228 17839 3096 1 10 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.693 -0.433 17839 3097 1 10 . 1 1 39 39 VAL H H 39 8.835 8.835 8.665 0.170 17839 3098 1 10 . 1 1 40 40 GLU N N 40 117.945 117.945 120.315 -2.370 17839 3099 1 10 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.165 -0.383 17839 3100 1 10 . 1 1 40 40 GLU C C 40 179.362 179.362 178.942 0.420 17839 3101 1 10 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.174 0.750 17839 3102 1 10 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.351 -0.095 17839 3103 1 10 . 1 1 40 40 GLU H H 40 8.735 8.735 8.951 -0.216 17839 3104 1 10 . 1 1 41 41 GLY N N 41 108.576 108.576 107.416 1.160 17839 3105 1 10 . 1 1 41 41 GLY C C 41 176.275 176.275 175.797 0.478 17839 3106 1 10 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.540 -0.235 17839 3107 1 10 . 1 1 41 41 GLY H H 41 8.019 8.019 7.609 0.410 17839 3108 1 10 . 1 1 42 42 VAL N N 42 122.823 122.823 122.246 0.577 17839 3109 1 10 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.946 -0.203 17839 3110 1 10 . 1 1 42 42 VAL C C 42 177.211 177.211 177.801 -0.590 17839 3111 1 10 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.252 1.065 17839 3112 1 10 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.741 -1.508 17839 3113 1 10 . 1 1 42 42 VAL H H 42 7.705 7.705 7.602 0.103 17839 3114 1 10 . 1 1 43 43 TRP N N 43 119.439 119.439 119.142 0.297 17839 3115 1 10 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.444 -0.132 17839 3116 1 10 . 1 1 43 43 TRP C C 43 178.879 178.879 178.271 0.608 17839 3117 1 10 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.923 -2.690 17839 3118 1 10 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.132 -0.329 17839 3119 1 10 . 1 1 43 43 TRP H H 43 7.497 7.497 8.972 -1.475 17839 3120 1 10 . 1 1 44 44 THR N N 44 115.130 115.130 115.348 -0.218 17839 3121 1 10 . 1 1 44 44 THR HA H 44 3.877 3.877 4.090 -0.213 17839 3122 1 10 . 1 1 44 44 THR C C 44 177.299 177.299 176.383 0.916 17839 3123 1 10 . 1 1 44 44 THR CA C 44 66.178 66.178 65.886 0.292 17839 3124 1 10 . 1 1 44 44 THR CB C 44 68.938 68.938 68.451 0.488 17839 3125 1 10 . 1 1 44 44 THR H H 44 8.278 8.278 7.659 0.619 17839 3126 1 10 . 1 1 45 45 LEU N N 45 123.159 123.159 122.355 0.804 17839 3127 1 10 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.033 -0.094 17839 3128 1 10 . 1 1 45 45 LEU C C 45 178.235 178.235 178.113 0.122 17839 3129 1 10 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.834 -0.187 17839 3130 1 10 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.854 0.454 17839 3131 1 10 . 1 1 45 45 LEU H H 45 7.835 7.835 7.770 0.065 17839 3132 1 10 . 1 1 46 46 LYS N N 46 119.348 119.348 119.213 0.135 17839 3133 1 10 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.896 -0.376 17839 3134 1 10 . 1 1 46 46 LYS C C 46 177.518 177.518 178.270 -0.752 17839 3135 1 10 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.878 0.680 17839 3136 1 10 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.768 -1.543 17839 3137 1 10 . 1 1 46 46 LYS H H 46 8.521 8.521 7.961 0.560 17839 3138 1 10 . 1 1 47 47 ASP N N 47 117.390 117.390 119.596 -2.206 17839 3139 1 10 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.384 -0.648 17839 3140 1 10 . 1 1 47 47 ASP C C 47 178.689 178.689 178.121 0.568 17839 3141 1 10 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.275 -0.136 17839 3142 1 10 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.528 -0.732 17839 3143 1 10 . 1 1 47 47 ASP H H 47 7.450 7.450 7.641 -0.191 17839 3144 1 10 . 1 1 48 48 GLU N N 48 121.902 121.902 119.202 2.700 17839 3145 1 10 . 1 1 48 48 GLU HA H 48 3.760 3.760 3.975 -0.215 17839 3146 1 10 . 1 1 48 48 GLU C C 48 179.201 179.201 178.884 0.317 17839 3147 1 10 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.911 0.161 17839 3148 1 10 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.138 0.523 17839 3149 1 10 . 1 1 48 48 GLU H H 48 7.732 7.732 7.468 0.264 17839 3150 1 10 . 1 1 49 49 ILE N N 49 120.605 120.605 117.961 2.644 17839 3151 1 10 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.936 -0.356 17839 3152 1 10 . 1 1 49 49 ILE C C 49 178.704 178.704 177.779 0.925 17839 3153 1 10 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.112 1.889 17839 3154 1 10 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.279 0.685 17839 3155 1 10 . 1 1 49 49 ILE H H 49 8.551 8.551 7.432 1.119 17839 3156 1 10 . 1 1 50 50 LYS N N 50 119.061 119.061 119.337 -0.276 17839 3157 1 10 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.163 -0.454 17839 3158 1 10 . 1 1 50 50 LYS C C 50 177.753 177.753 177.785 -0.032 17839 3159 1 10 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.515 1.149 17839 3160 1 10 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.010 -0.857 17839 3161 1 10 . 1 1 50 50 LYS H H 50 7.567 7.567 8.076 -0.509 17839 3162 1 10 . 1 1 51 51 THR N N 51 109.727 109.727 112.976 -3.249 17839 3163 1 10 . 1 1 51 51 THR HA H 51 4.148 4.148 4.362 -0.214 17839 3164 1 10 . 1 1 51 51 THR C C 51 175.440 175.440 175.485 -0.045 17839 3165 1 10 . 1 1 51 51 THR CA C 51 63.347 63.347 63.171 0.176 17839 3166 1 10 . 1 1 51 51 THR CB C 51 69.707 69.707 69.882 -0.175 17839 3167 1 10 . 1 1 51 51 THR H H 51 7.426 7.426 7.622 -0.196 17839 3168 1 10 . 1 1 52 52 PHE N N 52 120.966 120.966 119.722 1.244 17839 3169 1 10 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.092 0.416 17839 3170 1 10 . 1 1 52 52 PHE C C 52 176.816 176.816 175.604 1.212 17839 3171 1 10 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.968 -2.009 17839 3172 1 10 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.829 -0.305 17839 3173 1 10 . 1 1 52 52 PHE H H 52 7.446 7.446 7.950 -0.504 17839 3174 1 10 . 1 1 53 53 THR N N 53 114.357 114.357 114.275 0.082 17839 3175 1 10 . 1 1 53 53 THR HA H 53 4.223 4.223 4.201 0.022 17839 3176 1 10 . 1 1 53 53 THR C C 53 180.987 180.987 174.877 6.110 17839 3177 1 10 . 1 1 53 53 THR CA C 53 58.214 58.214 64.305 -6.091 17839 3178 1 10 . 1 1 53 53 THR CB C 53 70.157 70.157 69.067 1.090 17839 3179 1 10 . 1 1 53 53 THR H H 53 7.953 7.953 8.206 -0.253 17839 3180 1 10 . 1 1 54 54 VAL N N 54 122.097 122.097 123.908 -1.811 17839 3181 1 10 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.598 -0.496 17839 3182 1 10 . 1 1 54 54 VAL C C 54 179.509 179.509 175.494 4.015 17839 3183 1 10 . 1 1 54 54 VAL CA C 54 62.553 62.553 61.193 1.360 17839 3184 1 10 . 1 1 54 54 VAL CB C 54 32.722 32.722 33.534 -0.812 17839 3185 1 10 . 1 1 54 54 VAL H H 54 8.045 8.045 7.979 0.066 17839 3186 1 10 . 1 1 55 55 THR N N 55 118.590 118.590 114.757 3.833 17839 3187 1 10 . 1 1 55 55 THR HA H 55 4.235 4.235 4.602 -0.367 17839 3188 1 10 . 1 1 55 55 THR CA C 55 61.732 61.732 63.276 -1.544 17839 3189 1 10 . 1 1 55 55 THR CB C 55 69.869 69.869 69.463 0.406 17839 3190 1 10 . 1 1 55 55 THR H H 55 8.209 8.209 8.586 -0.377 17839 3191 1 11 . 1 1 2 2 THR N N 2 128.640 128.640 119.024 9.616 17839 3192 1 11 . 1 1 2 2 THR HA H 2 4.125 4.125 4.445 -0.320 17839 3193 1 11 . 1 1 2 2 THR C C 2 173.743 173.743 174.024 -0.281 17839 3194 1 11 . 1 1 2 2 THR CA C 2 61.651 61.651 62.840 -1.189 17839 3195 1 11 . 1 1 2 2 THR CB C 2 69.626 69.626 69.416 0.210 17839 3196 1 11 . 1 1 2 2 THR H H 2 7.994 7.994 8.257 -0.263 17839 3197 1 11 . 1 1 3 3 TYR N N 3 124.112 124.112 121.952 2.160 17839 3198 1 11 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.595 -0.413 17839 3199 1 11 . 1 1 3 3 TYR C C 3 175.675 175.675 174.847 0.828 17839 3200 1 11 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.447 0.853 17839 3201 1 11 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.940 -0.422 17839 3202 1 11 . 1 1 3 3 TYR H H 3 8.325 8.325 8.014 0.311 17839 3203 1 11 . 1 1 4 4 LYS N N 4 122.769 122.769 122.157 0.612 17839 3204 1 11 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.260 -0.377 17839 3205 1 11 . 1 1 4 4 LYS C C 4 175.923 175.923 176.782 -0.859 17839 3206 1 11 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.450 -0.027 17839 3207 1 11 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.031 -0.264 17839 3208 1 11 . 1 1 4 4 LYS H H 4 8.027 8.027 8.236 -0.209 17839 3209 1 11 . 1 1 5 5 LEU N N 5 122.314 122.314 124.740 -2.426 17839 3210 1 11 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.249 -0.189 17839 3211 1 11 . 1 1 5 5 LEU C C 5 177.167 177.167 177.084 0.083 17839 3212 1 11 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.247 0.042 17839 3213 1 11 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.130 1.885 17839 3214 1 11 . 1 1 5 5 LEU H H 5 7.919 7.919 8.620 -0.701 17839 3215 1 11 . 1 1 6 6 ILE N N 6 122.789 122.789 126.563 -3.774 17839 3216 1 11 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.023 -0.158 17839 3217 1 11 . 1 1 6 6 ILE C C 6 176.231 176.231 175.234 0.997 17839 3218 1 11 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.688 -0.298 17839 3219 1 11 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.934 -1.075 17839 3220 1 11 . 1 1 6 6 ILE H H 6 7.998 7.998 8.120 -0.122 17839 3221 1 11 . 1 1 7 7 LEU N N 7 125.831 125.831 130.457 -4.626 17839 3222 1 11 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.515 -0.335 17839 3223 1 11 . 1 1 7 7 LEU C C 7 177.079 177.079 175.975 1.104 17839 3224 1 11 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.914 0.142 17839 3225 1 11 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.669 1.049 17839 3226 1 11 . 1 1 7 7 LEU H H 7 8.099 8.099 8.522 -0.423 17839 3227 1 11 . 1 1 8 8 ASN N N 8 118.052 118.052 121.819 -3.767 17839 3228 1 11 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.994 -0.520 17839 3229 1 11 . 1 1 8 8 ASN C C 8 175.250 175.250 175.084 0.166 17839 3230 1 11 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.048 0.435 17839 3231 1 11 . 1 1 8 8 ASN CB C 8 38.877 38.877 42.216 -3.339 17839 3232 1 11 . 1 1 8 8 ASN H H 8 8.058 8.058 8.152 -0.094 17839 3233 1 11 . 1 1 9 9 LEU N N 9 121.908 121.908 118.844 3.064 17839 3234 1 11 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.585 -0.933 17839 3235 1 11 . 1 1 9 9 LEU C C 9 177.065 177.065 177.802 -0.737 17839 3236 1 11 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.231 1.293 17839 3237 1 11 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.284 -0.334 17839 3238 1 11 . 1 1 9 9 LEU H H 9 8.251 8.251 8.446 -0.195 17839 3239 1 11 . 1 1 10 10 LYS N N 10 118.870 118.870 121.063 -2.193 17839 3240 1 11 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.962 -0.302 17839 3241 1 11 . 1 1 10 10 LYS C C 10 178.689 178.689 178.353 0.336 17839 3242 1 11 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.179 -0.379 17839 3243 1 11 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.133 1.137 17839 3244 1 11 . 1 1 10 10 LYS H H 10 7.940 7.940 8.603 -0.663 17839 3245 1 11 . 1 1 11 11 GLN N N 11 117.959 117.959 116.046 1.913 17839 3246 1 11 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.025 -0.128 17839 3247 1 11 . 1 1 11 11 GLN C C 11 179.084 179.084 177.763 1.321 17839 3248 1 11 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.731 0.454 17839 3249 1 11 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.010 1.461 17839 3250 1 11 . 1 1 11 11 GLN H H 11 7.549 7.549 8.670 -1.121 17839 3251 1 11 . 1 1 12 12 ALA N N 12 122.975 122.975 122.309 0.666 17839 3252 1 11 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.490 0.413 17839 3253 1 11 . 1 1 12 12 ALA C C 12 179.596 179.596 178.812 0.784 17839 3254 1 11 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.048 1.375 17839 3255 1 11 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.285 -0.069 17839 3256 1 11 . 1 1 12 12 ALA H H 12 8.363 8.363 8.399 -0.036 17839 3257 1 11 . 1 1 13 13 LYS N N 13 116.930 116.930 120.170 -3.240 17839 3258 1 11 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.010 -0.673 17839 3259 1 11 . 1 1 13 13 LYS C C 13 177.621 177.621 178.480 -0.859 17839 3260 1 11 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.271 1.416 17839 3261 1 11 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.953 0.930 17839 3262 1 11 . 1 1 13 13 LYS H H 13 8.097 8.097 8.051 0.046 17839 3263 1 11 . 1 1 14 14 GLU N N 14 116.977 116.977 119.294 -2.317 17839 3264 1 11 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.085 -0.371 17839 3265 1 11 . 1 1 14 14 GLU C C 14 180.065 180.065 178.480 1.585 17839 3266 1 11 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.112 0.472 17839 3267 1 11 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.317 -0.128 17839 3268 1 11 . 1 1 14 14 GLU H H 14 7.582 7.582 8.331 -0.749 17839 3269 1 11 . 1 1 15 15 GLU N N 15 119.464 119.464 119.575 -0.111 17839 3270 1 11 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.767 0.142 17839 3271 1 11 . 1 1 15 15 GLU C C 15 178.367 178.367 178.775 -0.408 17839 3272 1 11 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.041 -0.442 17839 3273 1 11 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.569 0.466 17839 3274 1 11 . 1 1 15 15 GLU H H 15 8.313 8.313 7.433 0.880 17839 3275 1 11 . 1 1 16 16 ALA N N 16 122.073 122.073 121.086 0.987 17839 3276 1 11 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.138 -0.360 17839 3277 1 11 . 1 1 16 16 ALA C C 16 179.245 179.245 179.512 -0.267 17839 3278 1 11 . 1 1 16 16 ALA CA C 16 55.332 55.332 54.953 0.379 17839 3279 1 11 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.588 0.168 17839 3280 1 11 . 1 1 16 16 ALA H H 16 8.427 8.427 7.508 0.919 17839 3281 1 11 . 1 1 17 17 ILE N N 17 117.151 117.151 119.740 -2.589 17839 3282 1 11 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.541 -0.442 17839 3283 1 11 . 1 1 17 17 ILE C C 17 177.196 177.196 178.200 -1.004 17839 3284 1 11 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.552 -0.483 17839 3285 1 11 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.613 -0.979 17839 3286 1 11 . 1 1 17 17 ILE H H 17 8.177 8.177 7.590 0.587 17839 3287 1 11 . 1 1 18 18 LYS N N 18 119.317 119.317 119.028 0.289 17839 3288 1 11 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.939 -0.270 17839 3289 1 11 . 1 1 18 18 LYS C C 18 178.279 178.279 179.434 -1.155 17839 3290 1 11 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.378 0.597 17839 3291 1 11 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.049 -0.034 17839 3292 1 11 . 1 1 18 18 LYS H H 18 7.525 7.525 8.307 -0.782 17839 3293 1 11 . 1 1 19 19 GLU N N 19 119.267 119.267 119.389 -0.122 17839 3294 1 11 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.103 -0.178 17839 3295 1 11 . 1 1 19 19 GLU C C 19 178.104 178.104 179.312 -1.208 17839 3296 1 11 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.009 -0.104 17839 3297 1 11 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.572 -1.041 17839 3298 1 11 . 1 1 19 19 GLU H H 19 8.226 8.226 7.641 0.585 17839 3299 1 11 . 1 1 20 20 LEU N N 20 120.447 120.447 120.878 -0.431 17839 3300 1 11 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.196 -0.273 17839 3301 1 11 . 1 1 20 20 LEU C C 20 179.991 179.991 179.037 0.954 17839 3302 1 11 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.176 -0.074 17839 3303 1 11 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.213 -1.388 17839 3304 1 11 . 1 1 20 20 LEU H H 20 8.018 8.018 8.638 -0.620 17839 3305 1 11 . 1 1 21 21 VAL N N 21 124.479 124.479 118.189 6.290 17839 3306 1 11 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.738 0.080 17839 3307 1 11 . 1 1 21 21 VAL C C 21 177.431 177.431 177.634 -0.203 17839 3308 1 11 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.800 0.579 17839 3309 1 11 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.559 0.428 17839 3310 1 11 . 1 1 21 21 VAL H H 21 9.048 9.048 7.993 1.055 17839 3311 1 11 . 1 1 22 22 ASP N N 22 121.941 121.941 119.106 2.835 17839 3312 1 11 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.544 -0.600 17839 3313 1 11 . 1 1 22 22 ASP C C 22 179.713 179.713 175.938 3.775 17839 3314 1 11 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.703 1.413 17839 3315 1 11 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.791 -2.291 17839 3316 1 11 . 1 1 22 22 ASP H H 22 8.077 8.077 7.784 0.293 17839 3317 1 11 . 1 1 23 23 ALA N N 23 116.831 116.831 120.676 -3.845 17839 3318 1 11 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.639 -0.459 17839 3319 1 11 . 1 1 23 23 ALA C C 23 177.855 177.855 177.118 0.737 17839 3320 1 11 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.212 1.089 17839 3321 1 11 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.587 -2.597 17839 3322 1 11 . 1 1 23 23 ALA H H 23 6.897 6.897 7.206 -0.309 17839 3323 1 11 . 1 1 24 24 GLY N N 24 107.830 107.830 109.775 -1.945 17839 3324 1 11 . 1 1 24 24 GLY C C 24 174.665 174.665 173.889 0.776 17839 3325 1 11 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.827 -0.016 17839 3326 1 11 . 1 1 24 24 GLY H H 24 8.002 8.002 8.752 -0.750 17839 3327 1 11 . 1 1 25 25 THR N N 25 117.914 117.914 118.301 -0.387 17839 3328 1 11 . 1 1 25 25 THR HA H 25 3.818 3.818 3.802 0.016 17839 3329 1 11 . 1 1 25 25 THR C C 25 173.187 173.187 173.638 -0.451 17839 3330 1 11 . 1 1 25 25 THR CA C 25 64.001 64.001 61.577 2.424 17839 3331 1 11 . 1 1 25 25 THR CB C 25 69.674 69.674 70.113 -0.439 17839 3332 1 11 . 1 1 25 25 THR H H 25 7.784 7.784 8.253 -0.469 17839 3333 1 11 . 1 1 26 26 ALA N N 26 128.480 128.480 121.599 6.881 17839 3334 1 11 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.473 -0.476 17839 3335 1 11 . 1 1 26 26 ALA C C 26 177.884 177.884 177.025 0.859 17839 3336 1 11 . 1 1 26 26 ALA CA C 26 53.109 53.109 52.096 1.013 17839 3337 1 11 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.074 -1.206 17839 3338 1 11 . 1 1 26 26 ALA H H 26 8.749 8.749 7.782 0.967 17839 3339 1 11 . 1 1 27 27 GLU N N 27 120.909 120.909 123.689 -2.780 17839 3340 1 11 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.383 -1.144 17839 3341 1 11 . 1 1 27 27 GLU C C 27 178.631 178.631 176.609 2.022 17839 3342 1 11 . 1 1 27 27 GLU CA C 27 57.838 57.838 58.936 -1.098 17839 3343 1 11 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.718 0.200 17839 3344 1 11 . 1 1 27 27 GLU H H 27 8.150 8.150 8.859 -0.709 17839 3345 1 11 . 1 1 28 28 LYS N N 28 117.447 117.447 117.369 0.078 17839 3346 1 11 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.761 0.028 17839 3347 1 11 . 1 1 28 28 LYS C C 28 177.211 177.211 178.754 -1.543 17839 3348 1 11 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.879 0.211 17839 3349 1 11 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.734 0.262 17839 3350 1 11 . 1 1 28 28 LYS H H 28 7.989 7.989 8.204 -0.215 17839 3351 1 11 . 1 1 29 29 TYR N N 29 116.462 116.462 118.255 -1.793 17839 3352 1 11 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.258 0.129 17839 3353 1 11 . 1 1 29 29 TYR C C 29 177.313 177.313 177.802 -0.489 17839 3354 1 11 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.590 -1.232 17839 3355 1 11 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.917 0.539 17839 3356 1 11 . 1 1 29 29 TYR H H 29 7.273 7.273 7.401 -0.128 17839 3357 1 11 . 1 1 30 30 PHE N N 30 119.334 119.334 117.831 1.503 17839 3358 1 11 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.432 -0.352 17839 3359 1 11 . 1 1 30 30 PHE C C 30 178.762 178.762 177.207 1.555 17839 3360 1 11 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.755 -0.183 17839 3361 1 11 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.767 4.354 17839 3362 1 11 . 1 1 30 30 PHE H H 30 7.991 7.991 7.543 0.448 17839 3363 1 11 . 1 1 31 31 LYS N N 31 118.612 118.612 120.411 -1.799 17839 3364 1 11 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.349 -0.445 17839 3365 1 11 . 1 1 31 31 LYS C C 31 177.694 177.694 178.948 -1.254 17839 3366 1 11 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.213 -0.593 17839 3367 1 11 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.483 -0.932 17839 3368 1 11 . 1 1 31 31 LYS H H 31 7.916 7.916 7.334 0.582 17839 3369 1 11 . 1 1 32 32 LEU N N 32 117.737 117.737 119.745 -2.008 17839 3370 1 11 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.081 -0.316 17839 3371 1 11 . 1 1 32 32 LEU C C 32 177.021 177.021 178.962 -1.941 17839 3372 1 11 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.544 -0.203 17839 3373 1 11 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.416 -0.999 17839 3374 1 11 . 1 1 32 32 LEU H H 32 7.316 7.316 7.431 -0.115 17839 3375 1 11 . 1 1 33 33 ILE N N 33 119.064 119.064 114.611 4.453 17839 3376 1 11 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.894 -0.242 17839 3377 1 11 . 1 1 33 33 ILE C C 33 177.489 177.489 177.961 -0.472 17839 3378 1 11 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.092 -2.307 17839 3379 1 11 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.258 -1.556 17839 3380 1 11 . 1 1 33 33 ILE H H 33 7.620 7.620 8.136 -0.516 17839 3381 1 11 . 1 1 34 34 ALA N N 34 119.319 119.319 121.892 -2.573 17839 3382 1 11 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.015 -0.235 17839 3383 1 11 . 1 1 34 34 ALA C C 34 179.128 179.128 178.509 0.619 17839 3384 1 11 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.671 0.181 17839 3385 1 11 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.322 -0.072 17839 3386 1 11 . 1 1 34 34 ALA H H 34 7.594 7.594 7.860 -0.266 17839 3387 1 11 . 1 1 35 35 ASN N N 35 112.212 112.212 116.120 -3.908 17839 3388 1 11 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.650 -0.157 17839 3389 1 11 . 1 1 35 35 ASN C C 35 175.265 175.265 175.452 -0.187 17839 3390 1 11 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.589 -0.993 17839 3391 1 11 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.096 -0.189 17839 3392 1 11 . 1 1 35 35 ASN H H 35 7.264 7.264 7.686 -0.422 17839 3393 1 11 . 1 1 36 36 ALA N N 36 124.435 124.435 123.045 1.390 17839 3394 1 11 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.288 -0.279 17839 3395 1 11 . 1 1 36 36 ALA C C 36 177.826 177.826 177.155 0.671 17839 3396 1 11 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.725 0.412 17839 3397 1 11 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.455 0.062 17839 3398 1 11 . 1 1 36 36 ALA H H 36 7.270 7.270 7.688 -0.418 17839 3399 1 11 . 1 1 37 37 LYS N N 37 116.671 116.671 120.685 -4.014 17839 3400 1 11 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.223 -0.050 17839 3401 1 11 . 1 1 37 37 LYS C C 37 176.772 176.772 176.396 0.376 17839 3402 1 11 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.266 -0.729 17839 3403 1 11 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.723 2.176 17839 3404 1 11 . 1 1 37 37 LYS H H 37 8.682 8.682 8.560 0.122 17839 3405 1 11 . 1 1 38 38 THR N N 38 106.220 106.220 110.712 -4.492 17839 3406 1 11 . 1 1 38 38 THR HA H 38 4.541 4.541 4.502 0.039 17839 3407 1 11 . 1 1 38 38 THR C C 38 173.816 173.816 175.613 -1.797 17839 3408 1 11 . 1 1 38 38 THR CA C 38 58.209 58.209 60.418 -2.209 17839 3409 1 11 . 1 1 38 38 THR CB C 38 72.726 72.726 70.482 2.244 17839 3410 1 11 . 1 1 38 38 THR H H 38 7.232 7.232 7.445 -0.213 17839 3411 1 11 . 1 1 39 39 VAL N N 39 122.896 122.896 121.906 0.990 17839 3412 1 11 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.886 -1.008 17839 3413 1 11 . 1 1 39 39 VAL C C 39 176.655 176.655 177.567 -0.912 17839 3414 1 11 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.894 1.224 17839 3415 1 11 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.636 -0.376 17839 3416 1 11 . 1 1 39 39 VAL H H 39 8.835 8.835 8.693 0.142 17839 3417 1 11 . 1 1 40 40 GLU N N 40 117.945 117.945 120.550 -2.605 17839 3418 1 11 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.097 -0.315 17839 3419 1 11 . 1 1 40 40 GLU C C 40 179.362 179.362 179.126 0.236 17839 3420 1 11 . 1 1 40 40 GLU CA C 40 59.924 59.924 60.290 -0.366 17839 3421 1 11 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.563 -0.307 17839 3422 1 11 . 1 1 40 40 GLU H H 40 8.735 8.735 9.077 -0.342 17839 3423 1 11 . 1 1 41 41 GLY N N 41 108.576 108.576 106.643 1.933 17839 3424 1 11 . 1 1 41 41 GLY C C 41 176.275 176.275 175.816 0.459 17839 3425 1 11 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.749 -0.444 17839 3426 1 11 . 1 1 41 41 GLY H H 41 8.019 8.019 7.766 0.253 17839 3427 1 11 . 1 1 42 42 VAL N N 42 122.823 122.823 122.609 0.214 17839 3428 1 11 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.920 -0.177 17839 3429 1 11 . 1 1 42 42 VAL C C 42 177.211 177.211 177.705 -0.494 17839 3430 1 11 . 1 1 42 42 VAL CA C 42 67.317 67.317 65.296 2.021 17839 3431 1 11 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.473 -1.240 17839 3432 1 11 . 1 1 42 42 VAL H H 42 7.705 7.705 7.711 -0.006 17839 3433 1 11 . 1 1 43 43 TRP N N 43 119.439 119.439 118.783 0.656 17839 3434 1 11 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.399 -0.087 17839 3435 1 11 . 1 1 43 43 TRP C C 43 178.879 178.879 178.629 0.250 17839 3436 1 11 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.521 -2.288 17839 3437 1 11 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.113 -0.310 17839 3438 1 11 . 1 1 43 43 TRP H H 43 7.497 7.497 9.074 -1.577 17839 3439 1 11 . 1 1 44 44 THR N N 44 115.130 115.130 113.923 1.207 17839 3440 1 11 . 1 1 44 44 THR HA H 44 3.877 3.877 4.081 -0.204 17839 3441 1 11 . 1 1 44 44 THR C C 44 177.299 177.299 176.488 0.811 17839 3442 1 11 . 1 1 44 44 THR CA C 44 66.178 66.178 65.788 0.390 17839 3443 1 11 . 1 1 44 44 THR CB C 44 68.938 68.938 68.417 0.521 17839 3444 1 11 . 1 1 44 44 THR H H 44 8.278 8.278 7.763 0.515 17839 3445 1 11 . 1 1 45 45 LEU N N 45 123.159 123.159 122.763 0.396 17839 3446 1 11 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.086 -0.147 17839 3447 1 11 . 1 1 45 45 LEU C C 45 178.235 178.235 178.234 0.001 17839 3448 1 11 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.745 -0.098 17839 3449 1 11 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.912 0.396 17839 3450 1 11 . 1 1 45 45 LEU H H 45 7.835 7.835 7.617 0.218 17839 3451 1 11 . 1 1 46 46 LYS N N 46 119.348 119.348 119.707 -0.359 17839 3452 1 11 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.990 -0.470 17839 3453 1 11 . 1 1 46 46 LYS C C 46 177.518 177.518 178.714 -1.196 17839 3454 1 11 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.186 1.372 17839 3455 1 11 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.616 -1.391 17839 3456 1 11 . 1 1 46 46 LYS H H 46 8.521 8.521 8.264 0.257 17839 3457 1 11 . 1 1 47 47 ASP N N 47 117.390 117.390 120.962 -3.572 17839 3458 1 11 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.523 -0.787 17839 3459 1 11 . 1 1 47 47 ASP C C 47 178.689 178.689 178.001 0.688 17839 3460 1 11 . 1 1 47 47 ASP CA C 47 57.139 57.139 56.930 0.209 17839 3461 1 11 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.815 -1.019 17839 3462 1 11 . 1 1 47 47 ASP H H 47 7.450 7.450 7.664 -0.214 17839 3463 1 11 . 1 1 48 48 GLU N N 48 121.902 121.902 120.020 1.882 17839 3464 1 11 . 1 1 48 48 GLU HA H 48 3.760 3.760 3.870 -0.110 17839 3465 1 11 . 1 1 48 48 GLU C C 48 179.201 179.201 178.397 0.804 17839 3466 1 11 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.459 -0.387 17839 3467 1 11 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.461 0.200 17839 3468 1 11 . 1 1 48 48 GLU H H 48 7.732 7.732 7.609 0.123 17839 3469 1 11 . 1 1 49 49 ILE N N 49 120.605 120.605 118.295 2.310 17839 3470 1 11 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.848 -0.268 17839 3471 1 11 . 1 1 49 49 ILE C C 49 178.704 178.704 177.225 1.479 17839 3472 1 11 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.817 1.184 17839 3473 1 11 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.644 0.319 17839 3474 1 11 . 1 1 49 49 ILE H H 49 8.551 8.551 7.407 1.144 17839 3475 1 11 . 1 1 50 50 LYS N N 50 119.061 119.061 119.663 -0.602 17839 3476 1 11 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.160 -0.451 17839 3477 1 11 . 1 1 50 50 LYS C C 50 177.753 177.753 177.528 0.225 17839 3478 1 11 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.834 0.830 17839 3479 1 11 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.055 -0.902 17839 3480 1 11 . 1 1 50 50 LYS H H 50 7.567 7.567 7.709 -0.142 17839 3481 1 11 . 1 1 51 51 THR N N 51 109.727 109.727 111.356 -1.629 17839 3482 1 11 . 1 1 51 51 THR HA H 51 4.148 4.148 4.333 -0.185 17839 3483 1 11 . 1 1 51 51 THR C C 51 175.440 175.440 175.526 -0.086 17839 3484 1 11 . 1 1 51 51 THR CA C 51 63.347 63.347 62.709 0.638 17839 3485 1 11 . 1 1 51 51 THR CB C 51 69.707 69.707 70.105 -0.398 17839 3486 1 11 . 1 1 51 51 THR H H 51 7.426 7.426 7.477 -0.051 17839 3487 1 11 . 1 1 52 52 PHE N N 52 120.966 120.966 118.799 2.167 17839 3488 1 11 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.143 0.365 17839 3489 1 11 . 1 1 52 52 PHE C C 52 176.816 176.816 174.985 1.831 17839 3490 1 11 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.595 -2.635 17839 3491 1 11 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.882 -0.358 17839 3492 1 11 . 1 1 52 52 PHE H H 52 7.446 7.446 8.161 -0.715 17839 3493 1 11 . 1 1 53 53 THR N N 53 114.357 114.357 115.261 -0.904 17839 3494 1 11 . 1 1 53 53 THR HA H 53 4.223 4.223 4.451 -0.228 17839 3495 1 11 . 1 1 53 53 THR C C 53 180.987 180.987 173.524 7.463 17839 3496 1 11 . 1 1 53 53 THR CA C 53 58.214 58.214 61.852 -3.638 17839 3497 1 11 . 1 1 53 53 THR CB C 53 70.157 70.157 69.550 0.607 17839 3498 1 11 . 1 1 53 53 THR H H 53 7.953 7.953 7.744 0.209 17839 3499 1 11 . 1 1 54 54 VAL N N 54 122.097 122.097 119.276 2.821 17839 3500 1 11 . 1 1 54 54 VAL HA H 54 4.102 4.102 3.796 0.306 17839 3501 1 11 . 1 1 54 54 VAL C C 54 179.509 179.509 174.334 5.175 17839 3502 1 11 . 1 1 54 54 VAL CA C 54 62.553 62.553 64.073 -1.520 17839 3503 1 11 . 1 1 54 54 VAL CB C 54 32.722 32.722 31.540 1.183 17839 3504 1 11 . 1 1 54 54 VAL H H 54 8.045 8.045 8.155 -0.110 17839 3505 1 11 . 1 1 55 55 THR N N 55 118.590 118.590 114.174 4.416 17839 3506 1 11 . 1 1 55 55 THR HA H 55 4.235 4.235 4.443 -0.208 17839 3507 1 11 . 1 1 55 55 THR CA C 55 61.732 61.732 62.184 -0.452 17839 3508 1 11 . 1 1 55 55 THR CB C 55 69.869 69.869 69.053 0.816 17839 3509 1 11 . 1 1 55 55 THR H H 55 8.209 8.209 8.273 -0.064 17839 3510 1 12 . 1 1 2 2 THR N N 2 128.640 128.640 115.968 12.672 17839 3511 1 12 . 1 1 2 2 THR HA H 2 4.125 4.125 4.123 0.002 17839 3512 1 12 . 1 1 2 2 THR C C 2 173.743 173.743 173.957 -0.214 17839 3513 1 12 . 1 1 2 2 THR CA C 2 61.651 61.651 62.377 -0.726 17839 3514 1 12 . 1 1 2 2 THR CB C 2 69.626 69.626 69.522 0.104 17839 3515 1 12 . 1 1 2 2 THR H H 2 7.994 7.994 7.777 0.217 17839 3516 1 12 . 1 1 3 3 TYR N N 3 124.112 124.112 123.092 1.020 17839 3517 1 12 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.266 -0.084 17839 3518 1 12 . 1 1 3 3 TYR C C 3 175.675 175.675 176.344 -0.669 17839 3519 1 12 . 1 1 3 3 TYR CA C 3 58.300 58.300 59.302 -1.002 17839 3520 1 12 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.785 -0.267 17839 3521 1 12 . 1 1 3 3 TYR H H 3 8.325 8.325 8.472 -0.147 17839 3522 1 12 . 1 1 4 4 LYS N N 4 122.769 122.769 120.478 2.291 17839 3523 1 12 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.398 -0.515 17839 3524 1 12 . 1 1 4 4 LYS C C 4 175.923 175.923 176.962 -1.039 17839 3525 1 12 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.084 0.339 17839 3526 1 12 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.588 0.179 17839 3527 1 12 . 1 1 4 4 LYS H H 4 8.027 8.027 8.026 0.001 17839 3528 1 12 . 1 1 5 5 LEU N N 5 122.314 122.314 127.620 -5.306 17839 3529 1 12 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.447 -0.387 17839 3530 1 12 . 1 1 5 5 LEU C C 5 177.167 177.167 176.891 0.276 17839 3531 1 12 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.173 0.116 17839 3532 1 12 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.357 1.658 17839 3533 1 12 . 1 1 5 5 LEU H H 5 7.919 7.919 8.938 -1.019 17839 3534 1 12 . 1 1 6 6 ILE N N 6 122.789 122.789 121.599 1.190 17839 3535 1 12 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.275 -0.410 17839 3536 1 12 . 1 1 6 6 ILE C C 6 176.231 176.231 174.603 1.628 17839 3537 1 12 . 1 1 6 6 ILE CA C 6 61.390 61.390 59.962 1.428 17839 3538 1 12 . 1 1 6 6 ILE CB C 6 37.859 37.859 37.988 -0.129 17839 3539 1 12 . 1 1 6 6 ILE H H 6 7.998 7.998 7.779 0.219 17839 3540 1 12 . 1 1 7 7 LEU N N 7 125.831 125.831 123.418 2.413 17839 3541 1 12 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.534 -0.354 17839 3542 1 12 . 1 1 7 7 LEU C C 7 177.079 177.079 175.567 1.512 17839 3543 1 12 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.255 0.801 17839 3544 1 12 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.570 1.148 17839 3545 1 12 . 1 1 7 7 LEU H H 7 8.099 8.099 7.750 0.349 17839 3546 1 12 . 1 1 8 8 ASN N N 8 118.052 118.052 122.027 -3.975 17839 3547 1 12 . 1 1 8 8 ASN HA H 8 4.474 4.474 5.060 -0.586 17839 3548 1 12 . 1 1 8 8 ASN C C 8 175.250 175.250 176.338 -1.088 17839 3549 1 12 . 1 1 8 8 ASN CA C 8 52.483 52.483 51.913 0.570 17839 3550 1 12 . 1 1 8 8 ASN CB C 8 38.877 38.877 41.150 -2.273 17839 3551 1 12 . 1 1 8 8 ASN H H 8 8.058 8.058 8.402 -0.344 17839 3552 1 12 . 1 1 9 9 LEU N N 9 121.908 121.908 123.423 -1.515 17839 3553 1 12 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.122 -0.470 17839 3554 1 12 . 1 1 9 9 LEU C C 9 177.065 177.065 178.341 -1.276 17839 3555 1 12 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.996 0.528 17839 3556 1 12 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.206 0.744 17839 3557 1 12 . 1 1 9 9 LEU H H 9 8.251 8.251 8.756 -0.505 17839 3558 1 12 . 1 1 10 10 LYS N N 10 118.870 118.870 120.707 -1.837 17839 3559 1 12 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.896 -0.236 17839 3560 1 12 . 1 1 10 10 LYS C C 10 178.689 178.689 178.279 0.410 17839 3561 1 12 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.267 0.533 17839 3562 1 12 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.401 0.868 17839 3563 1 12 . 1 1 10 10 LYS H H 10 7.940 7.940 8.584 -0.644 17839 3564 1 12 . 1 1 11 11 GLN N N 11 117.959 117.959 117.453 0.506 17839 3565 1 12 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.062 -0.165 17839 3566 1 12 . 1 1 11 11 GLN C C 11 179.084 179.084 178.522 0.562 17839 3567 1 12 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.505 0.680 17839 3568 1 12 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.066 1.405 17839 3569 1 12 . 1 1 11 11 GLN H H 11 7.549 7.549 7.991 -0.442 17839 3570 1 12 . 1 1 12 12 ALA N N 12 122.975 122.975 121.739 1.236 17839 3571 1 12 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.565 0.338 17839 3572 1 12 . 1 1 12 12 ALA C C 12 179.596 179.596 178.552 1.044 17839 3573 1 12 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.313 1.110 17839 3574 1 12 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.120 0.096 17839 3575 1 12 . 1 1 12 12 ALA H H 12 8.363 8.363 8.517 -0.154 17839 3576 1 12 . 1 1 13 13 LYS N N 13 116.930 116.930 119.934 -3.004 17839 3577 1 12 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.012 -0.675 17839 3578 1 12 . 1 1 13 13 LYS C C 13 177.621 177.621 178.462 -0.841 17839 3579 1 12 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.253 1.434 17839 3580 1 12 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.701 1.182 17839 3581 1 12 . 1 1 13 13 LYS H H 13 8.097 8.097 7.561 0.536 17839 3582 1 12 . 1 1 14 14 GLU N N 14 116.977 116.977 119.386 -2.409 17839 3583 1 12 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.087 -0.373 17839 3584 1 12 . 1 1 14 14 GLU C C 14 180.065 180.065 178.507 1.558 17839 3585 1 12 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.024 0.560 17839 3586 1 12 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.253 -0.065 17839 3587 1 12 . 1 1 14 14 GLU H H 14 7.582 7.582 8.040 -0.458 17839 3588 1 12 . 1 1 15 15 GLU N N 15 119.464 119.464 119.578 -0.114 17839 3589 1 12 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.758 0.151 17839 3590 1 12 . 1 1 15 15 GLU C C 15 178.367 178.367 178.749 -0.382 17839 3591 1 12 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.041 -0.442 17839 3592 1 12 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.542 0.493 17839 3593 1 12 . 1 1 15 15 GLU H H 15 8.313 8.313 7.409 0.904 17839 3594 1 12 . 1 1 16 16 ALA N N 16 122.073 122.073 121.813 0.260 17839 3595 1 12 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.023 -0.245 17839 3596 1 12 . 1 1 16 16 ALA C C 16 179.245 179.245 179.402 -0.157 17839 3597 1 12 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.271 0.061 17839 3598 1 12 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.482 0.274 17839 3599 1 12 . 1 1 16 16 ALA H H 16 8.427 8.427 7.588 0.839 17839 3600 1 12 . 1 1 17 17 ILE N N 17 117.151 117.151 119.560 -2.409 17839 3601 1 12 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.675 -0.576 17839 3602 1 12 . 1 1 17 17 ILE C C 17 177.196 177.196 178.272 -1.076 17839 3603 1 12 . 1 1 17 17 ILE CA C 17 65.069 65.069 64.394 0.675 17839 3604 1 12 . 1 1 17 17 ILE CB C 17 36.634 36.634 36.803 -0.169 17839 3605 1 12 . 1 1 17 17 ILE H H 17 8.177 8.177 7.666 0.511 17839 3606 1 12 . 1 1 18 18 LYS N N 18 119.317 119.317 119.793 -0.476 17839 3607 1 12 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.908 -0.239 17839 3608 1 12 . 1 1 18 18 LYS C C 18 178.279 178.279 179.333 -1.054 17839 3609 1 12 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.287 -0.312 17839 3610 1 12 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.416 -0.401 17839 3611 1 12 . 1 1 18 18 LYS H H 18 7.525 7.525 8.485 -0.960 17839 3612 1 12 . 1 1 19 19 GLU N N 19 119.267 119.267 119.309 -0.042 17839 3613 1 12 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.075 -0.150 17839 3614 1 12 . 1 1 19 19 GLU C C 19 178.104 178.104 179.373 -1.269 17839 3615 1 12 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.074 -0.169 17839 3616 1 12 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.509 -0.978 17839 3617 1 12 . 1 1 19 19 GLU H H 19 8.226 8.226 7.670 0.556 17839 3618 1 12 . 1 1 20 20 LEU N N 20 120.447 120.447 120.286 0.161 17839 3619 1 12 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.225 -0.302 17839 3620 1 12 . 1 1 20 20 LEU C C 20 179.991 179.991 179.346 0.645 17839 3621 1 12 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.135 -0.032 17839 3622 1 12 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.279 -1.454 17839 3623 1 12 . 1 1 20 20 LEU H H 20 8.018 8.018 8.623 -0.605 17839 3624 1 12 . 1 1 21 21 VAL N N 21 124.479 124.479 118.720 5.759 17839 3625 1 12 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.831 -0.013 17839 3626 1 12 . 1 1 21 21 VAL C C 21 177.431 177.431 177.684 -0.253 17839 3627 1 12 . 1 1 21 21 VAL CA C 21 66.379 66.379 64.963 1.416 17839 3628 1 12 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.292 0.695 17839 3629 1 12 . 1 1 21 21 VAL H H 21 9.048 9.048 8.081 0.967 17839 3630 1 12 . 1 1 22 22 ASP N N 22 121.941 121.941 119.276 2.665 17839 3631 1 12 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.538 -0.594 17839 3632 1 12 . 1 1 22 22 ASP C C 22 179.713 179.713 175.901 3.812 17839 3633 1 12 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.271 1.845 17839 3634 1 12 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.663 -2.163 17839 3635 1 12 . 1 1 22 22 ASP H H 22 8.077 8.077 7.908 0.169 17839 3636 1 12 . 1 1 23 23 ALA N N 23 116.831 116.831 120.355 -3.524 17839 3637 1 12 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.583 -0.403 17839 3638 1 12 . 1 1 23 23 ALA C C 23 177.855 177.855 176.321 1.534 17839 3639 1 12 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.086 1.215 17839 3640 1 12 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.698 -2.708 17839 3641 1 12 . 1 1 23 23 ALA H H 23 6.897 6.897 7.154 -0.257 17839 3642 1 12 . 1 1 24 24 GLY N N 24 107.830 107.830 108.585 -0.755 17839 3643 1 12 . 1 1 24 24 GLY C C 24 174.665 174.665 173.892 0.773 17839 3644 1 12 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.129 -0.318 17839 3645 1 12 . 1 1 24 24 GLY H H 24 8.002 8.002 8.524 -0.522 17839 3646 1 12 . 1 1 25 25 THR N N 25 117.914 117.914 117.624 0.290 17839 3647 1 12 . 1 1 25 25 THR HA H 25 3.818 3.818 4.234 -0.416 17839 3648 1 12 . 1 1 25 25 THR C C 25 173.187 173.187 172.958 0.229 17839 3649 1 12 . 1 1 25 25 THR CA C 25 64.001 64.001 60.810 3.191 17839 3650 1 12 . 1 1 25 25 THR CB C 25 69.674 69.674 71.152 -1.478 17839 3651 1 12 . 1 1 25 25 THR H H 25 7.784 7.784 8.088 -0.304 17839 3652 1 12 . 1 1 26 26 ALA N N 26 128.480 128.480 123.840 4.640 17839 3653 1 12 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.796 -0.799 17839 3654 1 12 . 1 1 26 26 ALA C C 26 177.884 177.884 177.455 0.429 17839 3655 1 12 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.224 1.885 17839 3656 1 12 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.843 -0.975 17839 3657 1 12 . 1 1 26 26 ALA H H 26 8.749 8.749 8.841 -0.092 17839 3658 1 12 . 1 1 27 27 GLU N N 27 120.909 120.909 125.740 -4.831 17839 3659 1 12 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.329 -1.090 17839 3660 1 12 . 1 1 27 27 GLU C C 27 178.631 178.631 176.596 2.035 17839 3661 1 12 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.136 -1.298 17839 3662 1 12 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.375 0.543 17839 3663 1 12 . 1 1 27 27 GLU H H 27 8.150 8.150 8.990 -0.840 17839 3664 1 12 . 1 1 28 28 LYS N N 28 117.447 117.447 117.361 0.086 17839 3665 1 12 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.752 0.037 17839 3666 1 12 . 1 1 28 28 LYS C C 28 177.211 177.211 178.789 -1.578 17839 3667 1 12 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.967 0.123 17839 3668 1 12 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.854 0.142 17839 3669 1 12 . 1 1 28 28 LYS H H 28 7.989 7.989 8.004 -0.015 17839 3670 1 12 . 1 1 29 29 TYR N N 29 116.462 116.462 119.021 -2.559 17839 3671 1 12 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.137 0.250 17839 3672 1 12 . 1 1 29 29 TYR C C 29 177.313 177.313 177.792 -0.479 17839 3673 1 12 . 1 1 29 29 TYR CA C 29 59.358 59.358 61.271 -1.913 17839 3674 1 12 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.320 1.136 17839 3675 1 12 . 1 1 29 29 TYR H H 29 7.273 7.273 8.106 -0.833 17839 3676 1 12 . 1 1 30 30 PHE N N 30 119.334 119.334 117.169 2.165 17839 3677 1 12 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.298 -0.218 17839 3678 1 12 . 1 1 30 30 PHE C C 30 178.762 178.762 177.361 1.401 17839 3679 1 12 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.026 -0.454 17839 3680 1 12 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.654 4.467 17839 3681 1 12 . 1 1 30 30 PHE H H 30 7.991 7.991 7.506 0.485 17839 3682 1 12 . 1 1 31 31 LYS N N 31 118.612 118.612 120.309 -1.697 17839 3683 1 12 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.311 -0.407 17839 3684 1 12 . 1 1 31 31 LYS C C 31 177.694 177.694 178.977 -1.283 17839 3685 1 12 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.052 -0.432 17839 3686 1 12 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.468 -0.916 17839 3687 1 12 . 1 1 31 31 LYS H H 31 7.916 7.916 7.292 0.624 17839 3688 1 12 . 1 1 32 32 LEU N N 32 117.737 117.737 120.412 -2.675 17839 3689 1 12 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.059 -0.294 17839 3690 1 12 . 1 1 32 32 LEU C C 32 177.021 177.021 179.064 -2.043 17839 3691 1 12 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.784 -0.443 17839 3692 1 12 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.490 -1.073 17839 3693 1 12 . 1 1 32 32 LEU H H 32 7.316 7.316 7.651 -0.335 17839 3694 1 12 . 1 1 33 33 ILE N N 33 119.064 119.064 115.174 3.890 17839 3695 1 12 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.814 -0.162 17839 3696 1 12 . 1 1 33 33 ILE C C 33 177.489 177.489 177.991 -0.502 17839 3697 1 12 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.387 -2.602 17839 3698 1 12 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.142 -1.440 17839 3699 1 12 . 1 1 33 33 ILE H H 33 7.620 7.620 8.576 -0.956 17839 3700 1 12 . 1 1 34 34 ALA N N 34 119.319 119.319 122.154 -2.835 17839 3701 1 12 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.032 -0.252 17839 3702 1 12 . 1 1 34 34 ALA C C 34 179.128 179.128 178.328 0.800 17839 3703 1 12 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.631 0.221 17839 3704 1 12 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.340 -0.090 17839 3705 1 12 . 1 1 34 34 ALA H H 34 7.594 7.594 7.782 -0.188 17839 3706 1 12 . 1 1 35 35 ASN N N 35 112.212 112.212 115.384 -3.172 17839 3707 1 12 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.660 -0.167 17839 3708 1 12 . 1 1 35 35 ASN C C 35 175.265 175.265 175.417 -0.152 17839 3709 1 12 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.634 -1.038 17839 3710 1 12 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.691 0.215 17839 3711 1 12 . 1 1 35 35 ASN H H 35 7.264 7.264 7.554 -0.290 17839 3712 1 12 . 1 1 36 36 ALA N N 36 124.435 124.435 122.828 1.607 17839 3713 1 12 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.198 -0.189 17839 3714 1 12 . 1 1 36 36 ALA C C 36 177.826 177.826 177.267 0.559 17839 3715 1 12 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.676 0.461 17839 3716 1 12 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.525 -0.008 17839 3717 1 12 . 1 1 36 36 ALA H H 36 7.270 7.270 7.665 -0.395 17839 3718 1 12 . 1 1 37 37 LYS N N 37 116.671 116.671 120.101 -3.430 17839 3719 1 12 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.258 -0.085 17839 3720 1 12 . 1 1 37 37 LYS C C 37 176.772 176.772 176.612 0.160 17839 3721 1 12 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.244 -0.707 17839 3722 1 12 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.856 2.043 17839 3723 1 12 . 1 1 37 37 LYS H H 37 8.682 8.682 8.537 0.145 17839 3724 1 12 . 1 1 38 38 THR N N 38 106.220 106.220 110.829 -4.609 17839 3725 1 12 . 1 1 38 38 THR HA H 38 4.541 4.541 4.538 0.003 17839 3726 1 12 . 1 1 38 38 THR C C 38 173.816 173.816 175.742 -1.926 17839 3727 1 12 . 1 1 38 38 THR CA C 38 58.209 58.209 60.051 -1.842 17839 3728 1 12 . 1 1 38 38 THR CB C 38 72.726 72.726 70.749 1.977 17839 3729 1 12 . 1 1 38 38 THR H H 38 7.232 7.232 7.494 -0.262 17839 3730 1 12 . 1 1 39 39 VAL N N 39 122.896 122.896 121.676 1.220 17839 3731 1 12 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.926 -1.048 17839 3732 1 12 . 1 1 39 39 VAL C C 39 176.655 176.655 177.281 -0.626 17839 3733 1 12 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.681 1.437 17839 3734 1 12 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.250 0.010 17839 3735 1 12 . 1 1 39 39 VAL H H 39 8.835 8.835 8.856 -0.021 17839 3736 1 12 . 1 1 40 40 GLU N N 40 117.945 117.945 120.864 -2.919 17839 3737 1 12 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.143 -0.361 17839 3738 1 12 . 1 1 40 40 GLU C C 40 179.362 179.362 179.049 0.313 17839 3739 1 12 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.876 0.048 17839 3740 1 12 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.748 -0.492 17839 3741 1 12 . 1 1 40 40 GLU H H 40 8.735 8.735 9.046 -0.311 17839 3742 1 12 . 1 1 41 41 GLY N N 41 108.576 108.576 106.604 1.972 17839 3743 1 12 . 1 1 41 41 GLY C C 41 176.275 176.275 175.744 0.531 17839 3744 1 12 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.724 -0.419 17839 3745 1 12 . 1 1 41 41 GLY H H 41 8.019 8.019 7.777 0.242 17839 3746 1 12 . 1 1 42 42 VAL N N 42 122.823 122.823 122.458 0.365 17839 3747 1 12 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.934 -0.191 17839 3748 1 12 . 1 1 42 42 VAL C C 42 177.211 177.211 177.556 -0.345 17839 3749 1 12 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.336 0.981 17839 3750 1 12 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.713 -1.480 17839 3751 1 12 . 1 1 42 42 VAL H H 42 7.705 7.705 7.760 -0.055 17839 3752 1 12 . 1 1 43 43 TRP N N 43 119.439 119.439 118.809 0.630 17839 3753 1 12 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.427 -0.115 17839 3754 1 12 . 1 1 43 43 TRP C C 43 178.879 178.879 178.766 0.113 17839 3755 1 12 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.422 -2.188 17839 3756 1 12 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.146 -0.343 17839 3757 1 12 . 1 1 43 43 TRP H H 43 7.497 7.497 9.212 -1.715 17839 3758 1 12 . 1 1 44 44 THR N N 44 115.130 115.130 114.083 1.047 17839 3759 1 12 . 1 1 44 44 THR HA H 44 3.877 3.877 4.087 -0.210 17839 3760 1 12 . 1 1 44 44 THR C C 44 177.299 177.299 176.388 0.911 17839 3761 1 12 . 1 1 44 44 THR CA C 44 66.178 66.178 65.691 0.487 17839 3762 1 12 . 1 1 44 44 THR CB C 44 68.938 68.938 68.601 0.337 17839 3763 1 12 . 1 1 44 44 THR H H 44 8.278 8.278 7.711 0.567 17839 3764 1 12 . 1 1 45 45 LEU N N 45 123.159 123.159 123.465 -0.306 17839 3765 1 12 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.053 -0.114 17839 3766 1 12 . 1 1 45 45 LEU C C 45 178.235 178.235 178.161 0.074 17839 3767 1 12 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.587 -0.940 17839 3768 1 12 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.978 0.330 17839 3769 1 12 . 1 1 45 45 LEU H H 45 7.835 7.835 7.692 0.143 17839 3770 1 12 . 1 1 46 46 LYS N N 46 119.348 119.348 118.114 1.234 17839 3771 1 12 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.876 -0.356 17839 3772 1 12 . 1 1 46 46 LYS C C 46 177.518 177.518 178.363 -0.845 17839 3773 1 12 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.329 1.229 17839 3774 1 12 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.302 -1.077 17839 3775 1 12 . 1 1 46 46 LYS H H 46 8.521 8.521 8.371 0.150 17839 3776 1 12 . 1 1 47 47 ASP N N 47 117.390 117.390 119.706 -2.316 17839 3777 1 12 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.359 -0.623 17839 3778 1 12 . 1 1 47 47 ASP C C 47 178.689 178.689 178.355 0.334 17839 3779 1 12 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.785 -0.646 17839 3780 1 12 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.715 -0.919 17839 3781 1 12 . 1 1 47 47 ASP H H 47 7.450 7.450 7.816 -0.366 17839 3782 1 12 . 1 1 48 48 GLU N N 48 121.902 121.902 117.279 4.623 17839 3783 1 12 . 1 1 48 48 GLU HA H 48 3.760 3.760 3.971 -0.211 17839 3784 1 12 . 1 1 48 48 GLU C C 48 179.201 179.201 178.327 0.874 17839 3785 1 12 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.962 0.110 17839 3786 1 12 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.422 0.239 17839 3787 1 12 . 1 1 48 48 GLU H H 48 7.732 7.732 7.619 0.113 17839 3788 1 12 . 1 1 49 49 ILE N N 49 120.605 120.605 119.894 0.711 17839 3789 1 12 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.825 -0.245 17839 3790 1 12 . 1 1 49 49 ILE C C 49 178.704 178.704 177.994 0.710 17839 3791 1 12 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.469 0.531 17839 3792 1 12 . 1 1 49 49 ILE CB C 49 37.963 37.963 36.963 1.000 17839 3793 1 12 . 1 1 49 49 ILE H H 49 8.551 8.551 7.632 0.919 17839 3794 1 12 . 1 1 50 50 LYS N N 50 119.061 119.061 120.383 -1.322 17839 3795 1 12 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.153 -0.444 17839 3796 1 12 . 1 1 50 50 LYS C C 50 177.753 177.753 178.160 -0.407 17839 3797 1 12 . 1 1 50 50 LYS CA C 50 59.664 59.664 59.106 0.558 17839 3798 1 12 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.733 -0.580 17839 3799 1 12 . 1 1 50 50 LYS H H 50 7.567 7.567 7.955 -0.388 17839 3800 1 12 . 1 1 51 51 THR N N 51 109.727 109.727 112.219 -2.492 17839 3801 1 12 . 1 1 51 51 THR HA H 51 4.148 4.148 4.302 -0.154 17839 3802 1 12 . 1 1 51 51 THR C C 51 175.440 175.440 174.916 0.524 17839 3803 1 12 . 1 1 51 51 THR CA C 51 63.347 63.347 63.922 -0.575 17839 3804 1 12 . 1 1 51 51 THR CB C 51 69.707 69.707 70.105 -0.398 17839 3805 1 12 . 1 1 51 51 THR H H 51 7.426 7.426 7.550 -0.124 17839 3806 1 12 . 1 1 52 52 PHE N N 52 120.966 120.966 118.893 2.073 17839 3807 1 12 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.159 0.349 17839 3808 1 12 . 1 1 52 52 PHE C C 52 176.816 176.816 175.761 1.055 17839 3809 1 12 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.975 -2.015 17839 3810 1 12 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.694 -0.170 17839 3811 1 12 . 1 1 52 52 PHE H H 52 7.446 7.446 8.509 -1.063 17839 3812 1 12 . 1 1 53 53 THR N N 53 114.357 114.357 112.730 1.627 17839 3813 1 12 . 1 1 53 53 THR HA H 53 4.223 4.223 4.260 -0.037 17839 3814 1 12 . 1 1 53 53 THR C C 53 180.987 180.987 174.576 6.411 17839 3815 1 12 . 1 1 53 53 THR CA C 53 58.214 58.214 64.277 -6.063 17839 3816 1 12 . 1 1 53 53 THR CB C 53 70.157 70.157 69.455 0.702 17839 3817 1 12 . 1 1 53 53 THR H H 53 7.953 7.953 8.335 -0.383 17839 3818 1 12 . 1 1 54 54 VAL N N 54 122.097 122.097 119.307 2.790 17839 3819 1 12 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.416 -0.314 17839 3820 1 12 . 1 1 54 54 VAL C C 54 179.509 179.509 175.379 4.130 17839 3821 1 12 . 1 1 54 54 VAL CA C 54 62.553 62.553 60.582 1.971 17839 3822 1 12 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.478 0.243 17839 3823 1 12 . 1 1 54 54 VAL H H 54 8.045 8.045 7.527 0.518 17839 3824 1 12 . 1 1 55 55 THR N N 55 118.590 118.590 117.916 0.674 17839 3825 1 12 . 1 1 55 55 THR HA H 55 4.235 4.235 4.653 -0.418 17839 3826 1 12 . 1 1 55 55 THR CA C 55 61.732 61.732 61.490 0.242 17839 3827 1 12 . 1 1 55 55 THR CB C 55 69.869 69.869 70.658 -0.789 17839 3828 1 12 . 1 1 55 55 THR H H 55 8.209 8.209 8.225 -0.016 17839 3829 1 13 . 1 1 2 2 THR N N 2 128.640 128.640 112.573 16.067 17839 3830 1 13 . 1 1 2 2 THR HA H 2 4.125 4.125 4.440 -0.315 17839 3831 1 13 . 1 1 2 2 THR C C 2 173.743 173.743 173.233 0.510 17839 3832 1 13 . 1 1 2 2 THR CA C 2 61.651 61.651 62.075 -0.424 17839 3833 1 13 . 1 1 2 2 THR CB C 2 69.626 69.626 69.472 0.155 17839 3834 1 13 . 1 1 2 2 THR H H 2 7.994 7.994 8.059 -0.065 17839 3835 1 13 . 1 1 3 3 TYR N N 3 124.112 124.112 123.069 1.043 17839 3836 1 13 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.647 -0.465 17839 3837 1 13 . 1 1 3 3 TYR C C 3 175.675 175.675 174.069 1.606 17839 3838 1 13 . 1 1 3 3 TYR CA C 3 58.300 58.300 56.736 1.564 17839 3839 1 13 . 1 1 3 3 TYR CB C 3 38.518 38.518 40.314 -1.796 17839 3840 1 13 . 1 1 3 3 TYR H H 3 8.325 8.325 7.785 0.540 17839 3841 1 13 . 1 1 4 4 LYS N N 4 122.769 122.769 124.369 -1.600 17839 3842 1 13 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.500 -0.617 17839 3843 1 13 . 1 1 4 4 LYS C C 4 175.923 175.923 176.292 -0.369 17839 3844 1 13 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.681 0.742 17839 3845 1 13 . 1 1 4 4 LYS CB C 4 32.767 32.767 34.088 -1.321 17839 3846 1 13 . 1 1 4 4 LYS H H 4 8.027 8.027 8.454 -0.427 17839 3847 1 13 . 1 1 5 5 LEU N N 5 122.314 122.314 122.399 -0.085 17839 3848 1 13 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.324 -0.264 17839 3849 1 13 . 1 1 5 5 LEU C C 5 177.167 177.167 176.603 0.564 17839 3850 1 13 . 1 1 5 5 LEU CA C 5 55.289 55.289 54.963 0.326 17839 3851 1 13 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.474 1.540 17839 3852 1 13 . 1 1 5 5 LEU H H 5 7.919 7.919 8.665 -0.746 17839 3853 1 13 . 1 1 6 6 ILE N N 6 122.789 122.789 125.158 -2.369 17839 3854 1 13 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.084 -0.219 17839 3855 1 13 . 1 1 6 6 ILE C C 6 176.231 176.231 175.028 1.203 17839 3856 1 13 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.036 0.354 17839 3857 1 13 . 1 1 6 6 ILE CB C 6 37.859 37.859 37.335 0.524 17839 3858 1 13 . 1 1 6 6 ILE H H 6 7.998 7.998 8.205 -0.207 17839 3859 1 13 . 1 1 7 7 LEU N N 7 125.831 125.831 130.239 -4.408 17839 3860 1 13 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.575 -0.395 17839 3861 1 13 . 1 1 7 7 LEU C C 7 177.079 177.079 176.691 0.388 17839 3862 1 13 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.565 0.491 17839 3863 1 13 . 1 1 7 7 LEU CB C 7 42.718 42.718 43.134 -0.416 17839 3864 1 13 . 1 1 7 7 LEU H H 7 8.099 8.099 8.311 -0.212 17839 3865 1 13 . 1 1 8 8 ASN N N 8 118.052 118.052 116.978 1.074 17839 3866 1 13 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.963 -0.489 17839 3867 1 13 . 1 1 8 8 ASN C C 8 175.250 175.250 174.742 0.508 17839 3868 1 13 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.345 0.138 17839 3869 1 13 . 1 1 8 8 ASN CB C 8 38.877 38.877 40.658 -1.781 17839 3870 1 13 . 1 1 8 8 ASN H H 8 8.058 8.058 8.153 -0.095 17839 3871 1 13 . 1 1 9 9 LEU N N 9 121.908 121.908 119.524 2.384 17839 3872 1 13 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.678 -1.026 17839 3873 1 13 . 1 1 9 9 LEU C C 9 177.065 177.065 177.807 -0.742 17839 3874 1 13 . 1 1 9 9 LEU CA C 9 58.524 58.524 56.911 1.613 17839 3875 1 13 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.919 0.031 17839 3876 1 13 . 1 1 9 9 LEU H H 9 8.251 8.251 8.399 -0.148 17839 3877 1 13 . 1 1 10 10 LYS N N 10 118.870 118.870 120.484 -1.614 17839 3878 1 13 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.821 -0.161 17839 3879 1 13 . 1 1 10 10 LYS C C 10 178.689 178.689 178.341 0.348 17839 3880 1 13 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.244 -0.444 17839 3881 1 13 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.524 0.745 17839 3882 1 13 . 1 1 10 10 LYS H H 10 7.940 7.940 8.549 -0.609 17839 3883 1 13 . 1 1 11 11 GLN N N 11 117.959 117.959 117.427 0.532 17839 3884 1 13 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.019 -0.122 17839 3885 1 13 . 1 1 11 11 GLN C C 11 179.084 179.084 178.308 0.776 17839 3886 1 13 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.527 0.658 17839 3887 1 13 . 1 1 11 11 GLN CB C 11 29.471 29.471 27.999 1.472 17839 3888 1 13 . 1 1 11 11 GLN H H 11 7.549 7.549 8.398 -0.849 17839 3889 1 13 . 1 1 12 12 ALA N N 12 122.975 122.975 122.085 0.890 17839 3890 1 13 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.584 0.319 17839 3891 1 13 . 1 1 12 12 ALA C C 12 179.596 179.596 178.717 0.879 17839 3892 1 13 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.164 1.259 17839 3893 1 13 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.216 -0.000 17839 3894 1 13 . 1 1 12 12 ALA H H 12 8.363 8.363 8.644 -0.281 17839 3895 1 13 . 1 1 13 13 LYS N N 13 116.930 116.930 119.828 -2.898 17839 3896 1 13 . 1 1 13 13 LYS HA H 13 3.337 3.337 3.959 -0.622 17839 3897 1 13 . 1 1 13 13 LYS C C 13 177.621 177.621 178.438 -0.817 17839 3898 1 13 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.296 1.391 17839 3899 1 13 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.864 1.019 17839 3900 1 13 . 1 1 13 13 LYS H H 13 8.097 8.097 7.713 0.384 17839 3901 1 13 . 1 1 14 14 GLU N N 14 116.977 116.977 119.171 -2.194 17839 3902 1 13 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.096 -0.382 17839 3903 1 13 . 1 1 14 14 GLU C C 14 180.065 180.065 178.696 1.369 17839 3904 1 13 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.060 0.524 17839 3905 1 13 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.253 -0.065 17839 3906 1 13 . 1 1 14 14 GLU H H 14 7.582 7.582 8.264 -0.682 17839 3907 1 13 . 1 1 15 15 GLU N N 15 119.464 119.464 119.719 -0.255 17839 3908 1 13 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.786 0.123 17839 3909 1 13 . 1 1 15 15 GLU C C 15 178.367 178.367 178.800 -0.433 17839 3910 1 13 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.026 -0.428 17839 3911 1 13 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.589 0.446 17839 3912 1 13 . 1 1 15 15 GLU H H 15 8.313 8.313 7.435 0.878 17839 3913 1 13 . 1 1 16 16 ALA N N 16 122.073 122.073 121.124 0.949 17839 3914 1 13 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.121 -0.343 17839 3915 1 13 . 1 1 16 16 ALA C C 16 179.245 179.245 179.344 -0.099 17839 3916 1 13 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.031 0.301 17839 3917 1 13 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.736 0.020 17839 3918 1 13 . 1 1 16 16 ALA H H 16 8.427 8.427 7.638 0.789 17839 3919 1 13 . 1 1 17 17 ILE N N 17 117.151 117.151 119.755 -2.604 17839 3920 1 13 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.555 -0.456 17839 3921 1 13 . 1 1 17 17 ILE C C 17 177.196 177.196 177.963 -0.767 17839 3922 1 13 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.597 -0.528 17839 3923 1 13 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.775 -1.141 17839 3924 1 13 . 1 1 17 17 ILE H H 17 8.177 8.177 7.963 0.214 17839 3925 1 13 . 1 1 18 18 LYS N N 18 119.317 119.317 119.994 -0.677 17839 3926 1 13 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.885 -0.216 17839 3927 1 13 . 1 1 18 18 LYS C C 18 178.279 178.279 178.944 -0.665 17839 3928 1 13 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.138 -0.163 17839 3929 1 13 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.339 -0.324 17839 3930 1 13 . 1 1 18 18 LYS H H 18 7.525 7.525 8.403 -0.878 17839 3931 1 13 . 1 1 19 19 GLU N N 19 119.267 119.267 119.338 -0.071 17839 3932 1 13 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.018 -0.093 17839 3933 1 13 . 1 1 19 19 GLU C C 19 178.104 178.104 179.396 -1.292 17839 3934 1 13 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.286 -0.381 17839 3935 1 13 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.607 -1.076 17839 3936 1 13 . 1 1 19 19 GLU H H 19 8.226 8.226 7.604 0.622 17839 3937 1 13 . 1 1 20 20 LEU N N 20 120.447 120.447 120.071 0.376 17839 3938 1 13 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.198 -0.275 17839 3939 1 13 . 1 1 20 20 LEU C C 20 179.991 179.991 179.665 0.326 17839 3940 1 13 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.237 -0.135 17839 3941 1 13 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.391 -1.566 17839 3942 1 13 . 1 1 20 20 LEU H H 20 8.018 8.018 8.704 -0.686 17839 3943 1 13 . 1 1 21 21 VAL N N 21 124.479 124.479 118.881 5.598 17839 3944 1 13 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.707 0.111 17839 3945 1 13 . 1 1 21 21 VAL C C 21 177.431 177.431 177.509 -0.078 17839 3946 1 13 . 1 1 21 21 VAL CA C 21 66.379 66.379 66.271 0.108 17839 3947 1 13 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.735 0.252 17839 3948 1 13 . 1 1 21 21 VAL H H 21 9.048 9.048 8.152 0.896 17839 3949 1 13 . 1 1 22 22 ASP N N 22 121.941 121.941 118.405 3.536 17839 3950 1 13 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.520 -0.576 17839 3951 1 13 . 1 1 22 22 ASP C C 22 179.713 179.713 175.701 4.012 17839 3952 1 13 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.857 1.259 17839 3953 1 13 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.596 -2.096 17839 3954 1 13 . 1 1 22 22 ASP H H 22 8.077 8.077 7.946 0.131 17839 3955 1 13 . 1 1 23 23 ALA N N 23 116.831 116.831 120.557 -3.726 17839 3956 1 13 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.536 -0.356 17839 3957 1 13 . 1 1 23 23 ALA C C 23 177.855 177.855 176.319 1.536 17839 3958 1 13 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.167 1.134 17839 3959 1 13 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.759 -2.769 17839 3960 1 13 . 1 1 23 23 ALA H H 23 6.897 6.897 6.970 -0.073 17839 3961 1 13 . 1 1 24 24 GLY N N 24 107.830 107.830 108.685 -0.855 17839 3962 1 13 . 1 1 24 24 GLY C C 24 174.665 174.665 174.078 0.587 17839 3963 1 13 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.122 -0.311 17839 3964 1 13 . 1 1 24 24 GLY H H 24 8.002 8.002 8.518 -0.516 17839 3965 1 13 . 1 1 25 25 THR N N 25 117.914 117.914 117.642 0.272 17839 3966 1 13 . 1 1 25 25 THR HA H 25 3.818 3.818 4.611 -0.793 17839 3967 1 13 . 1 1 25 25 THR C C 25 173.187 173.187 173.077 0.110 17839 3968 1 13 . 1 1 25 25 THR CA C 25 64.001 64.001 60.824 3.177 17839 3969 1 13 . 1 1 25 25 THR CB C 25 69.674 69.674 71.364 -1.690 17839 3970 1 13 . 1 1 25 25 THR H H 25 7.784 7.784 8.061 -0.277 17839 3971 1 13 . 1 1 26 26 ALA N N 26 128.480 128.480 123.447 5.033 17839 3972 1 13 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.619 -0.622 17839 3973 1 13 . 1 1 26 26 ALA C C 26 177.884 177.884 177.239 0.645 17839 3974 1 13 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.155 2.954 17839 3975 1 13 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.019 -0.151 17839 3976 1 13 . 1 1 26 26 ALA H H 26 8.749 8.749 8.230 0.519 17839 3977 1 13 . 1 1 27 27 GLU N N 27 120.909 120.909 125.667 -4.758 17839 3978 1 13 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.097 -0.858 17839 3979 1 13 . 1 1 27 27 GLU C C 27 178.631 178.631 176.386 2.245 17839 3980 1 13 . 1 1 27 27 GLU CA C 27 57.838 57.838 58.964 -1.126 17839 3981 1 13 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.319 0.599 17839 3982 1 13 . 1 1 27 27 GLU H H 27 8.150 8.150 8.896 -0.746 17839 3983 1 13 . 1 1 28 28 LYS N N 28 117.447 117.447 117.531 -0.084 17839 3984 1 13 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.826 -0.037 17839 3985 1 13 . 1 1 28 28 LYS C C 28 177.211 177.211 179.013 -1.802 17839 3986 1 13 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.087 0.003 17839 3987 1 13 . 1 1 28 28 LYS CB C 28 30.996 30.996 31.031 -0.035 17839 3988 1 13 . 1 1 28 28 LYS H H 28 7.989 7.989 8.027 -0.038 17839 3989 1 13 . 1 1 29 29 TYR N N 29 116.462 116.462 117.883 -1.421 17839 3990 1 13 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.141 0.246 17839 3991 1 13 . 1 1 29 29 TYR C C 29 177.313 177.313 177.750 -0.437 17839 3992 1 13 . 1 1 29 29 TYR CA C 29 59.358 59.358 59.108 0.250 17839 3993 1 13 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.016 1.440 17839 3994 1 13 . 1 1 29 29 TYR H H 29 7.273 7.273 8.019 -0.746 17839 3995 1 13 . 1 1 30 30 PHE N N 30 119.334 119.334 117.530 1.804 17839 3996 1 13 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.324 -0.244 17839 3997 1 13 . 1 1 30 30 PHE C C 30 178.762 178.762 177.290 1.472 17839 3998 1 13 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.796 -0.224 17839 3999 1 13 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.724 4.397 17839 4000 1 13 . 1 1 30 30 PHE H H 30 7.991 7.991 7.393 0.598 17839 4001 1 13 . 1 1 31 31 LYS N N 31 118.612 118.612 119.603 -0.991 17839 4002 1 13 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.352 -0.448 17839 4003 1 13 . 1 1 31 31 LYS C C 31 177.694 177.694 178.577 -0.883 17839 4004 1 13 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.663 -0.043 17839 4005 1 13 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.379 -0.827 17839 4006 1 13 . 1 1 31 31 LYS H H 31 7.916 7.916 7.428 0.488 17839 4007 1 13 . 1 1 32 32 LEU N N 32 117.737 117.737 119.879 -2.142 17839 4008 1 13 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.156 -0.391 17839 4009 1 13 . 1 1 32 32 LEU C C 32 177.021 177.021 178.581 -1.560 17839 4010 1 13 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.376 -0.035 17839 4011 1 13 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.712 -1.294 17839 4012 1 13 . 1 1 32 32 LEU H H 32 7.316 7.316 7.416 -0.100 17839 4013 1 13 . 1 1 33 33 ILE N N 33 119.064 119.064 116.195 2.869 17839 4014 1 13 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.905 -0.253 17839 4015 1 13 . 1 1 33 33 ILE C C 33 177.489 177.489 178.003 -0.514 17839 4016 1 13 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.238 -2.453 17839 4017 1 13 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.304 -1.602 17839 4018 1 13 . 1 1 33 33 ILE H H 33 7.620 7.620 8.241 -0.621 17839 4019 1 13 . 1 1 34 34 ALA N N 34 119.319 119.319 121.478 -2.159 17839 4020 1 13 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.033 -0.253 17839 4021 1 13 . 1 1 34 34 ALA C C 34 179.128 179.128 178.351 0.777 17839 4022 1 13 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.593 0.259 17839 4023 1 13 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.357 -0.107 17839 4024 1 13 . 1 1 34 34 ALA H H 34 7.594 7.594 7.804 -0.210 17839 4025 1 13 . 1 1 35 35 ASN N N 35 112.212 112.212 116.095 -3.883 17839 4026 1 13 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.644 -0.151 17839 4027 1 13 . 1 1 35 35 ASN C C 35 175.265 175.265 175.164 0.101 17839 4028 1 13 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.636 -1.040 17839 4029 1 13 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.044 -0.137 17839 4030 1 13 . 1 1 35 35 ASN H H 35 7.264 7.264 7.945 -0.681 17839 4031 1 13 . 1 1 36 36 ALA N N 36 124.435 124.435 123.571 0.864 17839 4032 1 13 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.242 -0.233 17839 4033 1 13 . 1 1 36 36 ALA C C 36 177.826 177.826 177.607 0.219 17839 4034 1 13 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.633 0.504 17839 4035 1 13 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.318 0.199 17839 4036 1 13 . 1 1 36 36 ALA H H 36 7.270 7.270 7.429 -0.159 17839 4037 1 13 . 1 1 37 37 LYS N N 37 116.671 116.671 122.756 -6.085 17839 4038 1 13 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.131 0.042 17839 4039 1 13 . 1 1 37 37 LYS C C 37 176.772 176.772 176.560 0.212 17839 4040 1 13 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.639 -1.102 17839 4041 1 13 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.583 2.316 17839 4042 1 13 . 1 1 37 37 LYS H H 37 8.682 8.682 8.666 0.016 17839 4043 1 13 . 1 1 38 38 THR N N 38 106.220 106.220 110.642 -4.422 17839 4044 1 13 . 1 1 38 38 THR HA H 38 4.541 4.541 4.549 -0.008 17839 4045 1 13 . 1 1 38 38 THR C C 38 173.816 173.816 175.507 -1.691 17839 4046 1 13 . 1 1 38 38 THR CA C 38 58.209 58.209 60.215 -2.006 17839 4047 1 13 . 1 1 38 38 THR CB C 38 72.726 72.726 70.473 2.253 17839 4048 1 13 . 1 1 38 38 THR H H 38 7.232 7.232 7.428 -0.196 17839 4049 1 13 . 1 1 39 39 VAL N N 39 122.896 122.896 121.356 1.540 17839 4050 1 13 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.976 -1.098 17839 4051 1 13 . 1 1 39 39 VAL C C 39 176.655 176.655 177.790 -1.135 17839 4052 1 13 . 1 1 39 39 VAL CA C 39 67.118 67.118 64.980 2.138 17839 4053 1 13 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.213 0.047 17839 4054 1 13 . 1 1 39 39 VAL H H 39 8.835 8.835 8.792 0.043 17839 4055 1 13 . 1 1 40 40 GLU N N 40 117.945 117.945 119.763 -1.818 17839 4056 1 13 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.165 -0.383 17839 4057 1 13 . 1 1 40 40 GLU C C 40 179.362 179.362 179.368 -0.006 17839 4058 1 13 . 1 1 40 40 GLU CA C 40 59.924 59.924 60.061 -0.137 17839 4059 1 13 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.338 -0.082 17839 4060 1 13 . 1 1 40 40 GLU H H 40 8.735 8.735 9.120 -0.385 17839 4061 1 13 . 1 1 41 41 GLY N N 41 108.576 108.576 107.214 1.362 17839 4062 1 13 . 1 1 41 41 GLY C C 41 176.275 176.275 175.998 0.277 17839 4063 1 13 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.881 -0.576 17839 4064 1 13 . 1 1 41 41 GLY H H 41 8.019 8.019 7.764 0.255 17839 4065 1 13 . 1 1 42 42 VAL N N 42 122.823 122.823 122.609 0.214 17839 4066 1 13 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.867 -0.124 17839 4067 1 13 . 1 1 42 42 VAL C C 42 177.211 177.211 177.786 -0.575 17839 4068 1 13 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.672 0.645 17839 4069 1 13 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.719 -1.486 17839 4070 1 13 . 1 1 42 42 VAL H H 42 7.705 7.705 7.697 0.008 17839 4071 1 13 . 1 1 43 43 TRP N N 43 119.439 119.439 118.769 0.670 17839 4072 1 13 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.405 -0.093 17839 4073 1 13 . 1 1 43 43 TRP C C 43 178.879 178.879 178.766 0.113 17839 4074 1 13 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.823 -2.590 17839 4075 1 13 . 1 1 43 43 TRP CB C 43 28.803 28.803 28.922 -0.119 17839 4076 1 13 . 1 1 43 43 TRP H H 43 7.497 7.497 8.991 -1.494 17839 4077 1 13 . 1 1 44 44 THR N N 44 115.130 115.130 114.125 1.005 17839 4078 1 13 . 1 1 44 44 THR HA H 44 3.877 3.877 3.979 -0.102 17839 4079 1 13 . 1 1 44 44 THR C C 44 177.299 177.299 176.608 0.691 17839 4080 1 13 . 1 1 44 44 THR CA C 44 66.178 66.178 65.929 0.249 17839 4081 1 13 . 1 1 44 44 THR CB C 44 68.938 68.938 68.463 0.476 17839 4082 1 13 . 1 1 44 44 THR H H 44 8.278 8.278 7.649 0.629 17839 4083 1 13 . 1 1 45 45 LEU N N 45 123.159 123.159 122.204 0.955 17839 4084 1 13 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.948 -0.009 17839 4085 1 13 . 1 1 45 45 LEU C C 45 178.235 178.235 178.184 0.051 17839 4086 1 13 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.303 -0.656 17839 4087 1 13 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.755 0.553 17839 4088 1 13 . 1 1 45 45 LEU H H 45 7.835 7.835 7.732 0.103 17839 4089 1 13 . 1 1 46 46 LYS N N 46 119.348 119.348 119.127 0.221 17839 4090 1 13 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.916 -0.396 17839 4091 1 13 . 1 1 46 46 LYS C C 46 177.518 177.518 178.492 -0.974 17839 4092 1 13 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.746 0.812 17839 4093 1 13 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.917 -1.692 17839 4094 1 13 . 1 1 46 46 LYS H H 46 8.521 8.521 8.066 0.455 17839 4095 1 13 . 1 1 47 47 ASP N N 47 117.390 117.390 119.191 -1.801 17839 4096 1 13 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.458 -0.722 17839 4097 1 13 . 1 1 47 47 ASP C C 47 178.689 178.689 178.050 0.639 17839 4098 1 13 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.437 -0.298 17839 4099 1 13 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.784 -0.988 17839 4100 1 13 . 1 1 47 47 ASP H H 47 7.450 7.450 7.949 -0.499 17839 4101 1 13 . 1 1 48 48 GLU N N 48 121.902 121.902 120.221 1.681 17839 4102 1 13 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.024 -0.264 17839 4103 1 13 . 1 1 48 48 GLU C C 48 179.201 179.201 178.745 0.456 17839 4104 1 13 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.582 -0.510 17839 4105 1 13 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.432 0.229 17839 4106 1 13 . 1 1 48 48 GLU H H 48 7.732 7.732 7.313 0.419 17839 4107 1 13 . 1 1 49 49 ILE N N 49 120.605 120.605 119.578 1.027 17839 4108 1 13 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.377 -0.797 17839 4109 1 13 . 1 1 49 49 ILE C C 49 178.704 178.704 177.594 1.110 17839 4110 1 13 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.473 0.528 17839 4111 1 13 . 1 1 49 49 ILE CB C 49 37.963 37.963 38.069 -0.106 17839 4112 1 13 . 1 1 49 49 ILE H H 49 8.551 8.551 7.895 0.656 17839 4113 1 13 . 1 1 50 50 LYS N N 50 119.061 119.061 118.522 0.539 17839 4114 1 13 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.161 -0.452 17839 4115 1 13 . 1 1 50 50 LYS C C 50 177.753 177.753 177.945 -0.192 17839 4116 1 13 . 1 1 50 50 LYS CA C 50 59.664 59.664 59.035 0.629 17839 4117 1 13 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.859 -0.706 17839 4118 1 13 . 1 1 50 50 LYS H H 50 7.567 7.567 7.822 -0.255 17839 4119 1 13 . 1 1 51 51 THR N N 51 109.727 109.727 113.015 -3.288 17839 4120 1 13 . 1 1 51 51 THR HA H 51 4.148 4.148 4.370 -0.222 17839 4121 1 13 . 1 1 51 51 THR C C 51 175.440 175.440 175.145 0.295 17839 4122 1 13 . 1 1 51 51 THR CA C 51 63.347 63.347 63.123 0.224 17839 4123 1 13 . 1 1 51 51 THR CB C 51 69.707 69.707 70.154 -0.447 17839 4124 1 13 . 1 1 51 51 THR H H 51 7.426 7.426 7.625 -0.199 17839 4125 1 13 . 1 1 52 52 PHE N N 52 120.966 120.966 118.715 2.251 17839 4126 1 13 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.149 0.359 17839 4127 1 13 . 1 1 52 52 PHE C C 52 176.816 176.816 174.940 1.876 17839 4128 1 13 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.171 -2.211 17839 4129 1 13 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.533 -0.010 17839 4130 1 13 . 1 1 52 52 PHE H H 52 7.446 7.446 8.472 -1.026 17839 4131 1 13 . 1 1 53 53 THR N N 53 114.357 114.357 111.784 2.573 17839 4132 1 13 . 1 1 53 53 THR HA H 53 4.223 4.223 4.074 0.149 17839 4133 1 13 . 1 1 53 53 THR C C 53 180.987 180.987 174.229 6.758 17839 4134 1 13 . 1 1 53 53 THR CA C 53 58.214 58.214 63.195 -4.981 17839 4135 1 13 . 1 1 53 53 THR CB C 53 70.157 70.157 69.474 0.683 17839 4136 1 13 . 1 1 53 53 THR H H 53 7.953 7.953 7.788 0.165 17839 4137 1 13 . 1 1 54 54 VAL N N 54 122.097 122.097 122.854 -0.757 17839 4138 1 13 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.375 -0.273 17839 4139 1 13 . 1 1 54 54 VAL C C 54 179.509 179.509 175.933 3.576 17839 4140 1 13 . 1 1 54 54 VAL CA C 54 62.553 62.553 63.285 -0.731 17839 4141 1 13 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.853 -0.131 17839 4142 1 13 . 1 1 54 54 VAL H H 54 8.045 8.045 8.529 -0.484 17839 4143 1 13 . 1 1 55 55 THR N N 55 118.590 118.590 115.060 3.530 17839 4144 1 13 . 1 1 55 55 THR HA H 55 4.235 4.235 4.620 -0.385 17839 4145 1 13 . 1 1 55 55 THR CA C 55 61.732 61.732 61.963 -0.231 17839 4146 1 13 . 1 1 55 55 THR CB C 55 69.869 69.869 70.206 -0.337 17839 4147 1 13 . 1 1 55 55 THR H H 55 8.209 8.209 7.733 0.476 17839 4148 1 14 . 1 1 2 2 THR N N 2 128.640 128.640 121.197 7.443 17839 4149 1 14 . 1 1 2 2 THR HA H 2 4.125 4.125 4.637 -0.512 17839 4150 1 14 . 1 1 2 2 THR C C 2 173.743 173.743 174.141 -0.398 17839 4151 1 14 . 1 1 2 2 THR CA C 2 61.651 61.651 62.056 -0.405 17839 4152 1 14 . 1 1 2 2 THR CB C 2 69.626 69.626 69.461 0.165 17839 4153 1 14 . 1 1 2 2 THR H H 2 7.994 7.994 8.291 -0.297 17839 4154 1 14 . 1 1 3 3 TYR N N 3 124.112 124.112 122.539 1.573 17839 4155 1 14 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.170 0.012 17839 4156 1 14 . 1 1 3 3 TYR C C 3 175.675 175.675 174.824 0.851 17839 4157 1 14 . 1 1 3 3 TYR CA C 3 58.300 58.300 58.767 -0.467 17839 4158 1 14 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.887 -1.369 17839 4159 1 14 . 1 1 3 3 TYR H H 3 8.325 8.325 8.329 -0.004 17839 4160 1 14 . 1 1 4 4 LYS N N 4 122.769 122.769 121.893 0.876 17839 4161 1 14 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.600 -0.717 17839 4162 1 14 . 1 1 4 4 LYS C C 4 175.923 175.923 175.631 0.292 17839 4163 1 14 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.329 1.094 17839 4164 1 14 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.309 -0.542 17839 4165 1 14 . 1 1 4 4 LYS H H 4 8.027 8.027 8.324 -0.297 17839 4166 1 14 . 1 1 5 5 LEU N N 5 122.314 122.314 124.371 -2.057 17839 4167 1 14 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.315 -0.255 17839 4168 1 14 . 1 1 5 5 LEU C C 5 177.167 177.167 177.452 -0.285 17839 4169 1 14 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.191 0.098 17839 4170 1 14 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.695 1.320 17839 4171 1 14 . 1 1 5 5 LEU H H 5 7.919 7.919 8.996 -1.077 17839 4172 1 14 . 1 1 6 6 ILE N N 6 122.789 122.789 127.372 -4.583 17839 4173 1 14 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.062 -0.197 17839 4174 1 14 . 1 1 6 6 ILE C C 6 176.231 176.231 174.369 1.862 17839 4175 1 14 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.026 0.364 17839 4176 1 14 . 1 1 6 6 ILE CB C 6 37.859 37.859 36.378 1.481 17839 4177 1 14 . 1 1 6 6 ILE H H 6 7.998 7.998 8.246 -0.248 17839 4178 1 14 . 1 1 7 7 LEU N N 7 125.831 125.831 126.418 -0.587 17839 4179 1 14 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.791 -0.611 17839 4180 1 14 . 1 1 7 7 LEU C C 7 177.079 177.079 176.570 0.509 17839 4181 1 14 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.371 0.685 17839 4182 1 14 . 1 1 7 7 LEU CB C 7 42.718 42.718 44.141 -1.423 17839 4183 1 14 . 1 1 7 7 LEU H H 7 8.099 8.099 8.227 -0.128 17839 4184 1 14 . 1 1 8 8 ASN N N 8 118.052 118.052 117.887 0.165 17839 4185 1 14 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.902 -0.428 17839 4186 1 14 . 1 1 8 8 ASN C C 8 175.250 175.250 175.776 -0.526 17839 4187 1 14 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.353 0.130 17839 4188 1 14 . 1 1 8 8 ASN CB C 8 38.877 38.877 40.407 -1.530 17839 4189 1 14 . 1 1 8 8 ASN H H 8 8.058 8.058 8.171 -0.113 17839 4190 1 14 . 1 1 9 9 LEU N N 9 121.908 121.908 122.841 -0.933 17839 4191 1 14 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.076 -0.424 17839 4192 1 14 . 1 1 9 9 LEU C C 9 177.065 177.065 178.046 -0.981 17839 4193 1 14 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.855 0.669 17839 4194 1 14 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.724 0.226 17839 4195 1 14 . 1 1 9 9 LEU H H 9 8.251 8.251 8.594 -0.343 17839 4196 1 14 . 1 1 10 10 LYS N N 10 118.870 118.870 119.026 -0.156 17839 4197 1 14 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.872 -0.212 17839 4198 1 14 . 1 1 10 10 LYS C C 10 178.689 178.689 178.552 0.137 17839 4199 1 14 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.113 -0.313 17839 4200 1 14 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.557 0.712 17839 4201 1 14 . 1 1 10 10 LYS H H 10 7.940 7.940 8.601 -0.661 17839 4202 1 14 . 1 1 11 11 GLN N N 11 117.959 117.959 117.322 0.637 17839 4203 1 14 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.060 -0.163 17839 4204 1 14 . 1 1 11 11 GLN C C 11 179.084 179.084 178.231 0.853 17839 4205 1 14 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.608 0.577 17839 4206 1 14 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.318 1.153 17839 4207 1 14 . 1 1 11 11 GLN H H 11 7.549 7.549 8.000 -0.451 17839 4208 1 14 . 1 1 12 12 ALA N N 12 122.975 122.975 122.440 0.535 17839 4209 1 14 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.491 0.412 17839 4210 1 14 . 1 1 12 12 ALA C C 12 179.596 179.596 178.822 0.774 17839 4211 1 14 . 1 1 12 12 ALA CA C 12 55.423 55.423 53.992 1.431 17839 4212 1 14 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.319 -0.103 17839 4213 1 14 . 1 1 12 12 ALA H H 12 8.363 8.363 8.316 0.047 17839 4214 1 14 . 1 1 13 13 LYS N N 13 116.930 116.930 120.284 -3.354 17839 4215 1 14 . 1 1 13 13 LYS HA H 13 3.337 3.337 3.981 -0.644 17839 4216 1 14 . 1 1 13 13 LYS C C 13 177.621 177.621 178.133 -0.512 17839 4217 1 14 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.422 1.265 17839 4218 1 14 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.927 0.956 17839 4219 1 14 . 1 1 13 13 LYS H H 13 8.097 8.097 8.376 -0.279 17839 4220 1 14 . 1 1 14 14 GLU N N 14 116.977 116.977 119.446 -2.469 17839 4221 1 14 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.034 -0.320 17839 4222 1 14 . 1 1 14 14 GLU C C 14 180.065 180.065 178.233 1.832 17839 4223 1 14 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.359 0.225 17839 4224 1 14 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.568 -0.379 17839 4225 1 14 . 1 1 14 14 GLU H H 14 7.582 7.582 8.255 -0.673 17839 4226 1 14 . 1 1 15 15 GLU N N 15 119.464 119.464 120.054 -0.590 17839 4227 1 14 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.775 0.134 17839 4228 1 14 . 1 1 15 15 GLU C C 15 178.367 178.367 178.690 -0.323 17839 4229 1 14 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.143 -0.544 17839 4230 1 14 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.480 0.555 17839 4231 1 14 . 1 1 15 15 GLU H H 15 8.313 8.313 7.366 0.947 17839 4232 1 14 . 1 1 16 16 ALA N N 16 122.073 122.073 121.317 0.756 17839 4233 1 14 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.042 -0.264 17839 4234 1 14 . 1 1 16 16 ALA C C 16 179.245 179.245 179.405 -0.160 17839 4235 1 14 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.118 0.214 17839 4236 1 14 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.596 0.160 17839 4237 1 14 . 1 1 16 16 ALA H H 16 8.427 8.427 7.500 0.927 17839 4238 1 14 . 1 1 17 17 ILE N N 17 117.151 117.151 119.762 -2.611 17839 4239 1 14 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.457 -0.358 17839 4240 1 14 . 1 1 17 17 ILE C C 17 177.196 177.196 177.848 -0.652 17839 4241 1 14 . 1 1 17 17 ILE CA C 17 65.069 65.069 66.058 -0.989 17839 4242 1 14 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.716 -1.082 17839 4243 1 14 . 1 1 17 17 ILE H H 17 8.177 8.177 7.655 0.522 17839 4244 1 14 . 1 1 18 18 LYS N N 18 119.317 119.317 119.589 -0.272 17839 4245 1 14 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.839 -0.170 17839 4246 1 14 . 1 1 18 18 LYS C C 18 178.279 178.279 178.992 -0.713 17839 4247 1 14 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.912 0.063 17839 4248 1 14 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.358 -0.343 17839 4249 1 14 . 1 1 18 18 LYS H H 18 7.525 7.525 8.455 -0.930 17839 4250 1 14 . 1 1 19 19 GLU N N 19 119.267 119.267 119.104 0.163 17839 4251 1 14 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.071 -0.146 17839 4252 1 14 . 1 1 19 19 GLU C C 19 178.104 178.104 179.314 -1.210 17839 4253 1 14 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.925 -0.020 17839 4254 1 14 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.519 -0.988 17839 4255 1 14 . 1 1 19 19 GLU H H 19 8.226 8.226 7.641 0.585 17839 4256 1 14 . 1 1 20 20 LEU N N 20 120.447 120.447 120.605 -0.158 17839 4257 1 14 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.201 -0.278 17839 4258 1 14 . 1 1 20 20 LEU C C 20 179.991 179.991 179.421 0.570 17839 4259 1 14 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.130 -0.028 17839 4260 1 14 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.309 -1.484 17839 4261 1 14 . 1 1 20 20 LEU H H 20 8.018 8.018 8.539 -0.521 17839 4262 1 14 . 1 1 21 21 VAL N N 21 124.479 124.479 118.634 5.845 17839 4263 1 14 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.776 0.042 17839 4264 1 14 . 1 1 21 21 VAL C C 21 177.431 177.431 177.448 -0.017 17839 4265 1 14 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.721 0.658 17839 4266 1 14 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.395 0.592 17839 4267 1 14 . 1 1 21 21 VAL H H 21 9.048 9.048 8.144 0.904 17839 4268 1 14 . 1 1 22 22 ASP N N 22 121.941 121.941 119.235 2.706 17839 4269 1 14 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.522 -0.578 17839 4270 1 14 . 1 1 22 22 ASP C C 22 179.713 179.713 175.661 4.052 17839 4271 1 14 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.762 1.354 17839 4272 1 14 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.573 -2.073 17839 4273 1 14 . 1 1 22 22 ASP H H 22 8.077 8.077 7.701 0.376 17839 4274 1 14 . 1 1 23 23 ALA N N 23 116.831 116.831 120.198 -3.367 17839 4275 1 14 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.565 -0.385 17839 4276 1 14 . 1 1 23 23 ALA C C 23 177.855 177.855 176.296 1.559 17839 4277 1 14 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.065 1.236 17839 4278 1 14 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.638 -2.648 17839 4279 1 14 . 1 1 23 23 ALA H H 23 6.897 6.897 7.120 -0.223 17839 4280 1 14 . 1 1 24 24 GLY N N 24 107.830 107.830 108.516 -0.686 17839 4281 1 14 . 1 1 24 24 GLY C C 24 174.665 174.665 174.164 0.501 17839 4282 1 14 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.137 -0.326 17839 4283 1 14 . 1 1 24 24 GLY H H 24 8.002 8.002 8.528 -0.526 17839 4284 1 14 . 1 1 25 25 THR N N 25 117.914 117.914 117.703 0.211 17839 4285 1 14 . 1 1 25 25 THR HA H 25 3.818 3.818 4.660 -0.842 17839 4286 1 14 . 1 1 25 25 THR C C 25 173.187 173.187 173.127 0.060 17839 4287 1 14 . 1 1 25 25 THR CA C 25 64.001 64.001 61.106 2.895 17839 4288 1 14 . 1 1 25 25 THR CB C 25 69.674 69.674 71.341 -1.667 17839 4289 1 14 . 1 1 25 25 THR H H 25 7.784 7.784 8.149 -0.365 17839 4290 1 14 . 1 1 26 26 ALA N N 26 128.480 128.480 124.116 4.364 17839 4291 1 14 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.732 -0.735 17839 4292 1 14 . 1 1 26 26 ALA C C 26 177.884 177.884 177.723 0.161 17839 4293 1 14 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.283 1.826 17839 4294 1 14 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.654 -0.786 17839 4295 1 14 . 1 1 26 26 ALA H H 26 8.749 8.749 8.945 -0.196 17839 4296 1 14 . 1 1 27 27 GLU N N 27 120.909 120.909 124.947 -4.038 17839 4297 1 14 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.739 -1.500 17839 4298 1 14 . 1 1 27 27 GLU C C 27 178.631 178.631 177.280 1.351 17839 4299 1 14 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.364 -1.526 17839 4300 1 14 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.505 0.413 17839 4301 1 14 . 1 1 27 27 GLU H H 27 8.150 8.150 9.048 -0.898 17839 4302 1 14 . 1 1 28 28 LYS N N 28 117.447 117.447 117.263 0.184 17839 4303 1 14 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.787 0.002 17839 4304 1 14 . 1 1 28 28 LYS C C 28 177.211 177.211 178.976 -1.765 17839 4305 1 14 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.977 0.113 17839 4306 1 14 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.970 0.026 17839 4307 1 14 . 1 1 28 28 LYS H H 28 7.989 7.989 8.137 -0.148 17839 4308 1 14 . 1 1 29 29 TYR N N 29 116.462 116.462 118.794 -2.332 17839 4309 1 14 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.130 0.257 17839 4310 1 14 . 1 1 29 29 TYR C C 29 177.313 177.313 177.860 -0.547 17839 4311 1 14 . 1 1 29 29 TYR CA C 29 59.358 59.358 61.159 -1.801 17839 4312 1 14 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.494 0.962 17839 4313 1 14 . 1 1 29 29 TYR H H 29 7.273 7.273 8.177 -0.904 17839 4314 1 14 . 1 1 30 30 PHE N N 30 119.334 119.334 116.726 2.608 17839 4315 1 14 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.372 -0.292 17839 4316 1 14 . 1 1 30 30 PHE C C 30 178.762 178.762 176.958 1.804 17839 4317 1 14 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.110 -0.538 17839 4318 1 14 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.746 4.375 17839 4319 1 14 . 1 1 30 30 PHE H H 30 7.991 7.991 7.624 0.367 17839 4320 1 14 . 1 1 31 31 LYS N N 31 118.612 118.612 118.151 0.461 17839 4321 1 14 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.184 -0.280 17839 4322 1 14 . 1 1 31 31 LYS C C 31 177.694 177.694 177.621 0.073 17839 4323 1 14 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.344 0.276 17839 4324 1 14 . 1 1 31 31 LYS CB C 31 31.552 31.552 31.856 -0.304 17839 4325 1 14 . 1 1 31 31 LYS H H 31 7.916 7.916 7.302 0.614 17839 4326 1 14 . 1 1 32 32 LEU N N 32 117.737 117.737 118.486 -0.749 17839 4327 1 14 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.229 -0.464 17839 4328 1 14 . 1 1 32 32 LEU C C 32 177.021 177.021 178.916 -1.895 17839 4329 1 14 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.365 -0.024 17839 4330 1 14 . 1 1 32 32 LEU CB C 32 41.417 41.417 43.108 -1.691 17839 4331 1 14 . 1 1 32 32 LEU H H 32 7.316 7.316 7.359 -0.043 17839 4332 1 14 . 1 1 33 33 ILE N N 33 119.064 119.064 116.762 2.302 17839 4333 1 14 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.903 -0.251 17839 4334 1 14 . 1 1 33 33 ILE C C 33 177.489 177.489 177.678 -0.189 17839 4335 1 14 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.466 -2.681 17839 4336 1 14 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.305 -1.603 17839 4337 1 14 . 1 1 33 33 ILE H H 33 7.620 7.620 8.330 -0.710 17839 4338 1 14 . 1 1 34 34 ALA N N 34 119.319 119.319 122.136 -2.817 17839 4339 1 14 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.080 -0.300 17839 4340 1 14 . 1 1 34 34 ALA C C 34 179.128 179.128 177.990 1.138 17839 4341 1 14 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.807 0.045 17839 4342 1 14 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.717 -0.467 17839 4343 1 14 . 1 1 34 34 ALA H H 34 7.594 7.594 7.967 -0.373 17839 4344 1 14 . 1 1 35 35 ASN N N 35 112.212 112.212 112.387 -0.175 17839 4345 1 14 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.740 -0.247 17839 4346 1 14 . 1 1 35 35 ASN C C 35 175.265 175.265 176.201 -0.936 17839 4347 1 14 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.007 -0.411 17839 4348 1 14 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.055 0.852 17839 4349 1 14 . 1 1 35 35 ASN H H 35 7.264 7.264 7.397 -0.133 17839 4350 1 14 . 1 1 36 36 ALA N N 36 124.435 124.435 123.144 1.291 17839 4351 1 14 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.193 -0.184 17839 4352 1 14 . 1 1 36 36 ALA C C 36 177.826 177.826 178.418 -0.592 17839 4353 1 14 . 1 1 36 36 ALA CA C 36 53.137 53.137 54.329 -1.192 17839 4354 1 14 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.077 0.440 17839 4355 1 14 . 1 1 36 36 ALA H H 36 7.270 7.270 7.960 -0.690 17839 4356 1 14 . 1 1 37 37 LYS N N 37 116.671 116.671 112.388 4.283 17839 4357 1 14 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.037 0.136 17839 4358 1 14 . 1 1 37 37 LYS C C 37 176.772 176.772 174.942 1.830 17839 4359 1 14 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.249 -0.712 17839 4360 1 14 . 1 1 37 37 LYS CB C 37 34.899 34.899 29.991 4.908 17839 4361 1 14 . 1 1 37 37 LYS H H 37 8.682 8.682 8.690 -0.008 17839 4362 1 14 . 1 1 38 38 THR N N 38 106.220 106.220 108.097 -1.877 17839 4363 1 14 . 1 1 38 38 THR HA H 38 4.541 4.541 4.701 -0.160 17839 4364 1 14 . 1 1 38 38 THR C C 38 173.816 173.816 175.265 -1.449 17839 4365 1 14 . 1 1 38 38 THR CA C 38 58.209 58.209 60.449 -2.240 17839 4366 1 14 . 1 1 38 38 THR CB C 38 72.726 72.726 72.382 0.344 17839 4367 1 14 . 1 1 38 38 THR H H 38 7.232 7.232 7.649 -0.417 17839 4368 1 14 . 1 1 39 39 VAL N N 39 122.896 122.896 121.204 1.692 17839 4369 1 14 . 1 1 39 39 VAL HA H 39 2.878 2.878 4.048 -1.170 17839 4370 1 14 . 1 1 39 39 VAL C C 39 176.655 176.655 177.429 -0.774 17839 4371 1 14 . 1 1 39 39 VAL CA C 39 67.118 67.118 66.024 1.094 17839 4372 1 14 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.467 -0.207 17839 4373 1 14 . 1 1 39 39 VAL H H 39 8.835 8.835 8.773 0.062 17839 4374 1 14 . 1 1 40 40 GLU N N 40 117.945 117.945 120.745 -2.800 17839 4375 1 14 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.186 -0.404 17839 4376 1 14 . 1 1 40 40 GLU C C 40 179.362 179.362 179.169 0.193 17839 4377 1 14 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.688 0.236 17839 4378 1 14 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.700 -0.444 17839 4379 1 14 . 1 1 40 40 GLU H H 40 8.735 8.735 9.170 -0.435 17839 4380 1 14 . 1 1 41 41 GLY N N 41 108.576 108.576 108.138 0.438 17839 4381 1 14 . 1 1 41 41 GLY C C 41 176.275 176.275 176.442 -0.167 17839 4382 1 14 . 1 1 41 41 GLY CA C 41 46.305 46.305 47.021 -0.716 17839 4383 1 14 . 1 1 41 41 GLY H H 41 8.019 8.019 8.380 -0.361 17839 4384 1 14 . 1 1 42 42 VAL N N 42 122.823 122.823 122.430 0.393 17839 4385 1 14 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.913 -0.170 17839 4386 1 14 . 1 1 42 42 VAL C C 42 177.211 177.211 177.987 -0.776 17839 4387 1 14 . 1 1 42 42 VAL CA C 42 67.317 67.317 65.830 1.487 17839 4388 1 14 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.494 -1.260 17839 4389 1 14 . 1 1 42 42 VAL H H 42 7.705 7.705 7.614 0.091 17839 4390 1 14 . 1 1 43 43 TRP N N 43 119.439 119.439 118.919 0.520 17839 4391 1 14 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.379 -0.067 17839 4392 1 14 . 1 1 43 43 TRP C C 43 178.879 178.879 178.504 0.375 17839 4393 1 14 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.792 -2.559 17839 4394 1 14 . 1 1 43 43 TRP CB C 43 28.803 28.803 28.874 -0.071 17839 4395 1 14 . 1 1 43 43 TRP H H 43 7.497 7.497 8.878 -1.381 17839 4396 1 14 . 1 1 44 44 THR N N 44 115.130 115.130 114.285 0.845 17839 4397 1 14 . 1 1 44 44 THR HA H 44 3.877 3.877 3.998 -0.121 17839 4398 1 14 . 1 1 44 44 THR C C 44 177.299 177.299 176.560 0.739 17839 4399 1 14 . 1 1 44 44 THR CA C 44 66.178 66.178 65.663 0.515 17839 4400 1 14 . 1 1 44 44 THR CB C 44 68.938 68.938 67.962 0.976 17839 4401 1 14 . 1 1 44 44 THR H H 44 8.278 8.278 7.794 0.484 17839 4402 1 14 . 1 1 45 45 LEU N N 45 123.159 123.159 122.145 1.014 17839 4403 1 14 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.922 0.017 17839 4404 1 14 . 1 1 45 45 LEU C C 45 178.235 178.235 178.641 -0.406 17839 4405 1 14 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.598 -0.951 17839 4406 1 14 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.765 0.543 17839 4407 1 14 . 1 1 45 45 LEU H H 45 7.835 7.835 7.776 0.059 17839 4408 1 14 . 1 1 46 46 LYS N N 46 119.348 119.348 119.272 0.076 17839 4409 1 14 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.846 -0.326 17839 4410 1 14 . 1 1 46 46 LYS C C 46 177.518 177.518 178.622 -1.104 17839 4411 1 14 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.514 1.044 17839 4412 1 14 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.824 -1.599 17839 4413 1 14 . 1 1 46 46 LYS H H 46 8.521 8.521 7.832 0.689 17839 4414 1 14 . 1 1 47 47 ASP N N 47 117.390 117.390 118.337 -0.947 17839 4415 1 14 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.423 -0.687 17839 4416 1 14 . 1 1 47 47 ASP C C 47 178.689 178.689 178.320 0.369 17839 4417 1 14 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.722 -0.583 17839 4418 1 14 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.753 -0.957 17839 4419 1 14 . 1 1 47 47 ASP H H 47 7.450 7.450 7.776 -0.326 17839 4420 1 14 . 1 1 48 48 GLU N N 48 121.902 121.902 118.539 3.363 17839 4421 1 14 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.113 -0.353 17839 4422 1 14 . 1 1 48 48 GLU C C 48 179.201 179.201 178.957 0.244 17839 4423 1 14 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.793 0.279 17839 4424 1 14 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.544 0.117 17839 4425 1 14 . 1 1 48 48 GLU H H 48 7.732 7.732 7.509 0.223 17839 4426 1 14 . 1 1 49 49 ILE N N 49 120.605 120.605 118.086 2.519 17839 4427 1 14 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.222 -0.642 17839 4428 1 14 . 1 1 49 49 ILE C C 49 178.704 178.704 177.770 0.934 17839 4429 1 14 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.419 1.582 17839 4430 1 14 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.459 0.504 17839 4431 1 14 . 1 1 49 49 ILE H H 49 8.551 8.551 7.889 0.662 17839 4432 1 14 . 1 1 50 50 LYS N N 50 119.061 119.061 118.885 0.176 17839 4433 1 14 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.219 -0.510 17839 4434 1 14 . 1 1 50 50 LYS C C 50 177.753 177.753 177.998 -0.245 17839 4435 1 14 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.546 1.118 17839 4436 1 14 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.077 -0.924 17839 4437 1 14 . 1 1 50 50 LYS H H 50 7.567 7.567 7.606 -0.039 17839 4438 1 14 . 1 1 51 51 THR N N 51 109.727 109.727 113.941 -4.214 17839 4439 1 14 . 1 1 51 51 THR HA H 51 4.148 4.148 4.407 -0.259 17839 4440 1 14 . 1 1 51 51 THR C C 51 175.440 175.440 175.162 0.278 17839 4441 1 14 . 1 1 51 51 THR CA C 51 63.347 63.347 63.528 -0.181 17839 4442 1 14 . 1 1 51 51 THR CB C 51 69.707 69.707 70.349 -0.642 17839 4443 1 14 . 1 1 51 51 THR H H 51 7.426 7.426 7.767 -0.341 17839 4444 1 14 . 1 1 52 52 PHE N N 52 120.966 120.966 118.940 2.026 17839 4445 1 14 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.176 0.332 17839 4446 1 14 . 1 1 52 52 PHE C C 52 176.816 176.816 175.785 1.031 17839 4447 1 14 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.882 -1.921 17839 4448 1 14 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.480 0.043 17839 4449 1 14 . 1 1 52 52 PHE H H 52 7.446 7.446 8.581 -1.135 17839 4450 1 14 . 1 1 53 53 THR N N 53 114.357 114.357 112.302 2.055 17839 4451 1 14 . 1 1 53 53 THR HA H 53 4.223 4.223 3.917 0.306 17839 4452 1 14 . 1 1 53 53 THR C C 53 180.987 180.987 175.177 5.810 17839 4453 1 14 . 1 1 53 53 THR CA C 53 58.214 58.214 63.711 -5.497 17839 4454 1 14 . 1 1 53 53 THR CB C 53 70.157 70.157 69.387 0.770 17839 4455 1 14 . 1 1 53 53 THR H H 53 7.953 7.953 7.647 0.306 17839 4456 1 14 . 1 1 54 54 VAL N N 54 122.097 122.097 115.872 6.225 17839 4457 1 14 . 1 1 54 54 VAL HA H 54 4.102 4.102 3.679 0.423 17839 4458 1 14 . 1 1 54 54 VAL C C 54 179.509 179.509 175.617 3.892 17839 4459 1 14 . 1 1 54 54 VAL CA C 54 62.553 62.553 64.915 -2.362 17839 4460 1 14 . 1 1 54 54 VAL CB C 54 32.722 32.722 31.049 1.673 17839 4461 1 14 . 1 1 54 54 VAL H H 54 8.045 8.045 8.686 -0.641 17839 4462 1 14 . 1 1 55 55 THR N N 55 118.590 118.590 117.346 1.244 17839 4463 1 14 . 1 1 55 55 THR HA H 55 4.235 4.235 3.895 0.340 17839 4464 1 14 . 1 1 55 55 THR CA C 55 61.732 61.732 63.720 -1.988 17839 4465 1 14 . 1 1 55 55 THR CB C 55 69.869 69.869 68.060 1.809 17839 4466 1 14 . 1 1 55 55 THR H H 55 8.209 8.209 8.204 0.005 17839 4467 1 15 . 1 1 2 2 THR N N 2 128.640 128.640 115.959 12.681 17839 4468 1 15 . 1 1 2 2 THR HA H 2 4.125 4.125 4.850 -0.725 17839 4469 1 15 . 1 1 2 2 THR C C 2 173.743 173.743 173.717 0.026 17839 4470 1 15 . 1 1 2 2 THR CA C 2 61.651 61.651 61.508 0.143 17839 4471 1 15 . 1 1 2 2 THR CB C 2 69.626 69.626 71.475 -1.849 17839 4472 1 15 . 1 1 2 2 THR H H 2 7.994 7.994 8.166 -0.172 17839 4473 1 15 . 1 1 3 3 TYR N N 3 124.112 124.112 121.077 3.035 17839 4474 1 15 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.621 -0.439 17839 4475 1 15 . 1 1 3 3 TYR C C 3 175.675 175.675 175.560 0.115 17839 4476 1 15 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.731 0.569 17839 4477 1 15 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.226 -0.708 17839 4478 1 15 . 1 1 3 3 TYR H H 3 8.325 8.325 8.608 -0.283 17839 4479 1 15 . 1 1 4 4 LYS N N 4 122.769 122.769 119.059 3.710 17839 4480 1 15 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.152 -0.269 17839 4481 1 15 . 1 1 4 4 LYS C C 4 175.923 175.923 176.001 -0.078 17839 4482 1 15 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.544 -0.120 17839 4483 1 15 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.809 -0.042 17839 4484 1 15 . 1 1 4 4 LYS H H 4 8.027 8.027 7.739 0.288 17839 4485 1 15 . 1 1 5 5 LEU N N 5 122.314 122.314 120.828 1.486 17839 4486 1 15 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.604 -0.544 17839 4487 1 15 . 1 1 5 5 LEU C C 5 177.167 177.167 176.548 0.619 17839 4488 1 15 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.543 -0.254 17839 4489 1 15 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.460 -0.445 17839 4490 1 15 . 1 1 5 5 LEU H H 5 7.919 7.919 8.229 -0.310 17839 4491 1 15 . 1 1 6 6 ILE N N 6 122.789 122.789 121.078 1.711 17839 4492 1 15 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.026 -0.161 17839 4493 1 15 . 1 1 6 6 ILE C C 6 176.231 176.231 175.145 1.086 17839 4494 1 15 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.979 -0.589 17839 4495 1 15 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.545 -0.686 17839 4496 1 15 . 1 1 6 6 ILE H H 6 7.998 7.998 7.915 0.083 17839 4497 1 15 . 1 1 7 7 LEU N N 7 125.831 125.831 130.234 -4.403 17839 4498 1 15 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.492 -0.312 17839 4499 1 15 . 1 1 7 7 LEU C C 7 177.079 177.079 176.111 0.968 17839 4500 1 15 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.437 0.619 17839 4501 1 15 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.272 1.446 17839 4502 1 15 . 1 1 7 7 LEU H H 7 8.099 8.099 8.481 -0.382 17839 4503 1 15 . 1 1 8 8 ASN N N 8 118.052 118.052 115.485 2.567 17839 4504 1 15 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.374 0.100 17839 4505 1 15 . 1 1 8 8 ASN C C 8 175.250 175.250 176.151 -0.901 17839 4506 1 15 . 1 1 8 8 ASN CA C 8 52.483 52.483 54.960 -2.477 17839 4507 1 15 . 1 1 8 8 ASN CB C 8 38.877 38.877 38.815 0.062 17839 4508 1 15 . 1 1 8 8 ASN H H 8 8.058 8.058 8.002 0.056 17839 4509 1 15 . 1 1 9 9 LEU N N 9 121.908 121.908 119.325 2.583 17839 4510 1 15 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.234 -0.582 17839 4511 1 15 . 1 1 9 9 LEU C C 9 177.065 177.065 178.329 -1.264 17839 4512 1 15 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.801 0.723 17839 4513 1 15 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.750 0.200 17839 4514 1 15 . 1 1 9 9 LEU H H 9 8.251 8.251 8.395 -0.144 17839 4515 1 15 . 1 1 10 10 LYS N N 10 118.870 118.870 120.347 -1.477 17839 4516 1 15 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.891 -0.231 17839 4517 1 15 . 1 1 10 10 LYS C C 10 178.689 178.689 178.614 0.075 17839 4518 1 15 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.240 -0.440 17839 4519 1 15 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.699 0.570 17839 4520 1 15 . 1 1 10 10 LYS H H 10 7.940 7.940 8.395 -0.455 17839 4521 1 15 . 1 1 11 11 GLN N N 11 117.959 117.959 117.369 0.590 17839 4522 1 15 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.043 -0.146 17839 4523 1 15 . 1 1 11 11 GLN C C 11 179.084 179.084 178.317 0.767 17839 4524 1 15 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.691 0.494 17839 4525 1 15 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.360 1.111 17839 4526 1 15 . 1 1 11 11 GLN H H 11 7.549 7.549 7.900 -0.351 17839 4527 1 15 . 1 1 12 12 ALA N N 12 122.975 122.975 122.290 0.685 17839 4528 1 15 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.515 0.388 17839 4529 1 15 . 1 1 12 12 ALA C C 12 179.596 179.596 178.847 0.749 17839 4530 1 15 . 1 1 12 12 ALA CA C 12 55.423 55.423 53.977 1.446 17839 4531 1 15 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.369 -0.152 17839 4532 1 15 . 1 1 12 12 ALA H H 12 8.363 8.363 8.310 0.053 17839 4533 1 15 . 1 1 13 13 LYS N N 13 116.930 116.930 120.440 -3.510 17839 4534 1 15 . 1 1 13 13 LYS HA H 13 3.337 3.337 3.983 -0.646 17839 4535 1 15 . 1 1 13 13 LYS C C 13 177.621 177.621 178.278 -0.657 17839 4536 1 15 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.284 1.403 17839 4537 1 15 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.894 0.989 17839 4538 1 15 . 1 1 13 13 LYS H H 13 8.097 8.097 8.332 -0.235 17839 4539 1 15 . 1 1 14 14 GLU N N 14 116.977 116.977 119.198 -2.221 17839 4540 1 15 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.062 -0.348 17839 4541 1 15 . 1 1 14 14 GLU C C 14 180.065 180.065 178.246 1.819 17839 4542 1 15 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.371 0.213 17839 4543 1 15 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.597 -0.408 17839 4544 1 15 . 1 1 14 14 GLU H H 14 7.582 7.582 8.556 -0.974 17839 4545 1 15 . 1 1 15 15 GLU N N 15 119.464 119.464 120.104 -0.640 17839 4546 1 15 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.810 0.099 17839 4547 1 15 . 1 1 15 15 GLU C C 15 178.367 178.367 178.708 -0.341 17839 4548 1 15 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.064 -0.465 17839 4549 1 15 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.520 0.515 17839 4550 1 15 . 1 1 15 15 GLU H H 15 8.313 8.313 7.364 0.949 17839 4551 1 15 . 1 1 16 16 ALA N N 16 122.073 122.073 120.860 1.213 17839 4552 1 15 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.080 -0.302 17839 4553 1 15 . 1 1 16 16 ALA C C 16 179.245 179.245 179.473 -0.228 17839 4554 1 15 . 1 1 16 16 ALA CA C 16 55.332 55.332 54.958 0.374 17839 4555 1 15 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.633 0.123 17839 4556 1 15 . 1 1 16 16 ALA H H 16 8.427 8.427 7.578 0.849 17839 4557 1 15 . 1 1 17 17 ILE N N 17 117.151 117.151 119.648 -2.497 17839 4558 1 15 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.590 -0.491 17839 4559 1 15 . 1 1 17 17 ILE C C 17 177.196 177.196 178.070 -0.874 17839 4560 1 15 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.528 -0.459 17839 4561 1 15 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.730 -1.095 17839 4562 1 15 . 1 1 17 17 ILE H H 17 8.177 8.177 7.598 0.579 17839 4563 1 15 . 1 1 18 18 LYS N N 18 119.317 119.317 118.765 0.552 17839 4564 1 15 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.961 -0.292 17839 4565 1 15 . 1 1 18 18 LYS C C 18 178.279 178.279 179.509 -1.230 17839 4566 1 15 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.522 0.453 17839 4567 1 15 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.007 0.008 17839 4568 1 15 . 1 1 18 18 LYS H H 18 7.525 7.525 8.458 -0.933 17839 4569 1 15 . 1 1 19 19 GLU N N 19 119.267 119.267 119.188 0.079 17839 4570 1 15 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.102 -0.177 17839 4571 1 15 . 1 1 19 19 GLU C C 19 178.104 178.104 179.126 -1.022 17839 4572 1 15 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.727 0.177 17839 4573 1 15 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.438 -0.907 17839 4574 1 15 . 1 1 19 19 GLU H H 19 8.226 8.226 7.594 0.632 17839 4575 1 15 . 1 1 20 20 LEU N N 20 120.447 120.447 120.269 0.178 17839 4576 1 15 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.117 -0.194 17839 4577 1 15 . 1 1 20 20 LEU C C 20 179.991 179.991 178.773 1.218 17839 4578 1 15 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.431 -0.328 17839 4579 1 15 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.112 -1.288 17839 4580 1 15 . 1 1 20 20 LEU H H 20 8.018 8.018 8.398 -0.380 17839 4581 1 15 . 1 1 21 21 VAL N N 21 124.479 124.479 113.965 10.514 17839 4582 1 15 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.821 -0.003 17839 4583 1 15 . 1 1 21 21 VAL C C 21 177.431 177.431 177.270 0.161 17839 4584 1 15 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.065 1.314 17839 4585 1 15 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.668 0.319 17839 4586 1 15 . 1 1 21 21 VAL H H 21 9.048 9.048 7.701 1.347 17839 4587 1 15 . 1 1 22 22 ASP N N 22 121.941 121.941 120.110 1.831 17839 4588 1 15 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.482 -0.538 17839 4589 1 15 . 1 1 22 22 ASP C C 22 179.713 179.713 175.656 4.057 17839 4590 1 15 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.995 1.121 17839 4591 1 15 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.507 -2.007 17839 4592 1 15 . 1 1 22 22 ASP H H 22 8.077 8.077 7.779 0.298 17839 4593 1 15 . 1 1 23 23 ALA N N 23 116.831 116.831 119.694 -2.863 17839 4594 1 15 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.572 -0.392 17839 4595 1 15 . 1 1 23 23 ALA C C 23 177.855 177.855 177.391 0.464 17839 4596 1 15 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.018 1.283 17839 4597 1 15 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.518 -2.528 17839 4598 1 15 . 1 1 23 23 ALA H H 23 6.897 6.897 7.017 -0.120 17839 4599 1 15 . 1 1 24 24 GLY N N 24 107.830 107.830 109.643 -1.813 17839 4600 1 15 . 1 1 24 24 GLY C C 24 174.665 174.665 174.355 0.310 17839 4601 1 15 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.463 0.348 17839 4602 1 15 . 1 1 24 24 GLY H H 24 8.002 8.002 8.758 -0.756 17839 4603 1 15 . 1 1 25 25 THR N N 25 117.914 117.914 115.226 2.688 17839 4604 1 15 . 1 1 25 25 THR HA H 25 3.818 3.818 4.768 -0.950 17839 4605 1 15 . 1 1 25 25 THR C C 25 173.187 173.187 173.749 -0.562 17839 4606 1 15 . 1 1 25 25 THR CA C 25 64.001 64.001 60.028 3.973 17839 4607 1 15 . 1 1 25 25 THR CB C 25 69.674 69.674 71.002 -1.328 17839 4608 1 15 . 1 1 25 25 THR H H 25 7.784 7.784 8.275 -0.491 17839 4609 1 15 . 1 1 26 26 ALA N N 26 128.480 128.480 121.963 6.517 17839 4610 1 15 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.784 -0.787 17839 4611 1 15 . 1 1 26 26 ALA C C 26 177.884 177.884 177.446 0.438 17839 4612 1 15 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.691 2.418 17839 4613 1 15 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.849 -1.981 17839 4614 1 15 . 1 1 26 26 ALA H H 26 8.749 8.749 8.770 -0.021 17839 4615 1 15 . 1 1 27 27 GLU N N 27 120.909 120.909 120.176 0.733 17839 4616 1 15 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.892 -1.653 17839 4617 1 15 . 1 1 27 27 GLU C C 27 178.631 178.631 177.117 1.514 17839 4618 1 15 . 1 1 27 27 GLU CA C 27 57.838 57.838 58.791 -0.953 17839 4619 1 15 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.977 -0.059 17839 4620 1 15 . 1 1 27 27 GLU H H 27 8.150 8.150 8.639 -0.489 17839 4621 1 15 . 1 1 28 28 LYS N N 28 117.447 117.447 118.148 -0.701 17839 4622 1 15 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.713 0.076 17839 4623 1 15 . 1 1 28 28 LYS C C 28 177.211 177.211 178.411 -1.200 17839 4624 1 15 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.203 -0.113 17839 4625 1 15 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.756 0.240 17839 4626 1 15 . 1 1 28 28 LYS H H 28 7.989 7.989 8.352 -0.363 17839 4627 1 15 . 1 1 29 29 TYR N N 29 116.462 116.462 118.118 -1.656 17839 4628 1 15 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.115 0.272 17839 4629 1 15 . 1 1 29 29 TYR C C 29 177.313 177.313 178.041 -0.728 17839 4630 1 15 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.609 -1.252 17839 4631 1 15 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.338 1.118 17839 4632 1 15 . 1 1 29 29 TYR H H 29 7.273 7.273 6.962 0.311 17839 4633 1 15 . 1 1 30 30 PHE N N 30 119.334 119.334 117.114 2.220 17839 4634 1 15 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.296 -0.216 17839 4635 1 15 . 1 1 30 30 PHE C C 30 178.762 178.762 177.349 1.413 17839 4636 1 15 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.038 -0.466 17839 4637 1 15 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.584 4.537 17839 4638 1 15 . 1 1 30 30 PHE H H 30 7.991 7.991 7.721 0.270 17839 4639 1 15 . 1 1 31 31 LYS N N 31 118.612 118.612 120.734 -2.122 17839 4640 1 15 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.331 -0.427 17839 4641 1 15 . 1 1 31 31 LYS C C 31 177.694 177.694 178.996 -1.302 17839 4642 1 15 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.958 -0.338 17839 4643 1 15 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.530 -0.978 17839 4644 1 15 . 1 1 31 31 LYS H H 31 7.916 7.916 7.050 0.866 17839 4645 1 15 . 1 1 32 32 LEU N N 32 117.737 117.737 119.938 -2.201 17839 4646 1 15 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.064 -0.299 17839 4647 1 15 . 1 1 32 32 LEU C C 32 177.021 177.021 178.399 -1.378 17839 4648 1 15 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.730 -0.389 17839 4649 1 15 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.547 -1.130 17839 4650 1 15 . 1 1 32 32 LEU H H 32 7.316 7.316 8.031 -0.715 17839 4651 1 15 . 1 1 33 33 ILE N N 33 119.064 119.064 113.811 5.253 17839 4652 1 15 . 1 1 33 33 ILE HA H 33 3.652 3.652 4.030 -0.378 17839 4653 1 15 . 1 1 33 33 ILE C C 33 177.489 177.489 177.911 -0.422 17839 4654 1 15 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.548 -1.763 17839 4655 1 15 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.648 -1.946 17839 4656 1 15 . 1 1 33 33 ILE H H 33 7.620 7.620 8.189 -0.569 17839 4657 1 15 . 1 1 34 34 ALA N N 34 119.319 119.319 122.010 -2.691 17839 4658 1 15 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.993 -0.213 17839 4659 1 15 . 1 1 34 34 ALA C C 34 179.128 179.128 178.394 0.734 17839 4660 1 15 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.930 -0.078 17839 4661 1 15 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.163 0.087 17839 4662 1 15 . 1 1 34 34 ALA H H 34 7.594 7.594 7.858 -0.264 17839 4663 1 15 . 1 1 35 35 ASN N N 35 112.212 112.212 116.276 -4.064 17839 4664 1 15 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.627 -0.134 17839 4665 1 15 . 1 1 35 35 ASN C C 35 175.265 175.265 175.070 0.195 17839 4666 1 15 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.925 -1.329 17839 4667 1 15 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.529 -0.622 17839 4668 1 15 . 1 1 35 35 ASN H H 35 7.264 7.264 7.810 -0.546 17839 4669 1 15 . 1 1 36 36 ALA N N 36 124.435 124.435 124.606 -0.171 17839 4670 1 15 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.284 -0.275 17839 4671 1 15 . 1 1 36 36 ALA C C 36 177.826 177.826 177.303 0.523 17839 4672 1 15 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.046 1.091 17839 4673 1 15 . 1 1 36 36 ALA CB C 36 19.517 19.517 18.834 0.683 17839 4674 1 15 . 1 1 36 36 ALA H H 36 7.270 7.270 7.790 -0.520 17839 4675 1 15 . 1 1 37 37 LYS N N 37 116.671 116.671 122.617 -5.946 17839 4676 1 15 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.067 0.106 17839 4677 1 15 . 1 1 37 37 LYS C C 37 176.772 176.772 176.051 0.721 17839 4678 1 15 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.563 -1.026 17839 4679 1 15 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.006 2.893 17839 4680 1 15 . 1 1 37 37 LYS H H 37 8.682 8.682 8.496 0.186 17839 4681 1 15 . 1 1 38 38 THR N N 38 106.220 106.220 110.905 -4.685 17839 4682 1 15 . 1 1 38 38 THR HA H 38 4.541 4.541 4.484 0.057 17839 4683 1 15 . 1 1 38 38 THR C C 38 173.816 173.816 175.215 -1.399 17839 4684 1 15 . 1 1 38 38 THR CA C 38 58.209 58.209 60.364 -2.155 17839 4685 1 15 . 1 1 38 38 THR CB C 38 72.726 72.726 70.381 2.345 17839 4686 1 15 . 1 1 38 38 THR H H 38 7.232 7.232 7.469 -0.237 17839 4687 1 15 . 1 1 39 39 VAL N N 39 122.896 122.896 122.630 0.266 17839 4688 1 15 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.996 -1.118 17839 4689 1 15 . 1 1 39 39 VAL C C 39 176.655 176.655 177.593 -0.938 17839 4690 1 15 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.147 1.972 17839 4691 1 15 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.427 -0.167 17839 4692 1 15 . 1 1 39 39 VAL H H 39 8.835 8.835 8.675 0.160 17839 4693 1 15 . 1 1 40 40 GLU N N 40 117.945 117.945 120.889 -2.944 17839 4694 1 15 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.155 -0.373 17839 4695 1 15 . 1 1 40 40 GLU C C 40 179.362 179.362 179.063 0.299 17839 4696 1 15 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.748 0.176 17839 4697 1 15 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.789 -0.533 17839 4698 1 15 . 1 1 40 40 GLU H H 40 8.735 8.735 9.024 -0.289 17839 4699 1 15 . 1 1 41 41 GLY N N 41 108.576 108.576 106.664 1.912 17839 4700 1 15 . 1 1 41 41 GLY C C 41 176.275 176.275 175.814 0.461 17839 4701 1 15 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.587 -0.282 17839 4702 1 15 . 1 1 41 41 GLY H H 41 8.019 8.019 7.761 0.258 17839 4703 1 15 . 1 1 42 42 VAL N N 42 122.823 122.823 122.330 0.493 17839 4704 1 15 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.953 -0.210 17839 4705 1 15 . 1 1 42 42 VAL C C 42 177.211 177.211 177.768 -0.557 17839 4706 1 15 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.240 1.077 17839 4707 1 15 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.746 -1.513 17839 4708 1 15 . 1 1 42 42 VAL H H 42 7.705 7.705 7.650 0.055 17839 4709 1 15 . 1 1 43 43 TRP N N 43 119.439 119.439 118.933 0.506 17839 4710 1 15 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.423 -0.111 17839 4711 1 15 . 1 1 43 43 TRP C C 43 178.879 178.879 178.847 0.032 17839 4712 1 15 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.375 -2.142 17839 4713 1 15 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.114 -0.312 17839 4714 1 15 . 1 1 43 43 TRP H H 43 7.497 7.497 9.127 -1.630 17839 4715 1 15 . 1 1 44 44 THR N N 44 115.130 115.130 115.084 0.046 17839 4716 1 15 . 1 1 44 44 THR HA H 44 3.877 3.877 4.166 -0.289 17839 4717 1 15 . 1 1 44 44 THR C C 44 177.299 177.299 176.812 0.487 17839 4718 1 15 . 1 1 44 44 THR CA C 44 66.178 66.178 65.548 0.630 17839 4719 1 15 . 1 1 44 44 THR CB C 44 68.938 68.938 68.695 0.243 17839 4720 1 15 . 1 1 44 44 THR H H 44 8.278 8.278 7.657 0.621 17839 4721 1 15 . 1 1 45 45 LEU N N 45 123.159 123.159 121.783 1.376 17839 4722 1 15 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.072 -0.133 17839 4723 1 15 . 1 1 45 45 LEU C C 45 178.235 178.235 178.914 -0.679 17839 4724 1 15 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.631 0.016 17839 4725 1 15 . 1 1 45 45 LEU CB C 45 42.308 42.308 40.843 1.466 17839 4726 1 15 . 1 1 45 45 LEU H H 45 7.835 7.835 7.780 0.055 17839 4727 1 15 . 1 1 46 46 LYS N N 46 119.348 119.348 119.361 -0.013 17839 4728 1 15 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.925 -0.405 17839 4729 1 15 . 1 1 46 46 LYS C C 46 177.518 177.518 178.456 -0.938 17839 4730 1 15 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.943 0.615 17839 4731 1 15 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.971 -1.746 17839 4732 1 15 . 1 1 46 46 LYS H H 46 8.521 8.521 7.877 0.644 17839 4733 1 15 . 1 1 47 47 ASP N N 47 117.390 117.390 119.089 -1.699 17839 4734 1 15 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.391 -0.655 17839 4735 1 15 . 1 1 47 47 ASP C C 47 178.689 178.689 178.294 0.395 17839 4736 1 15 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.648 -0.509 17839 4737 1 15 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.648 -0.852 17839 4738 1 15 . 1 1 47 47 ASP H H 47 7.450 7.450 7.830 -0.380 17839 4739 1 15 . 1 1 48 48 GLU N N 48 121.902 121.902 119.475 2.427 17839 4740 1 15 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.069 -0.309 17839 4741 1 15 . 1 1 48 48 GLU C C 48 179.201 179.201 178.925 0.276 17839 4742 1 15 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.360 -0.288 17839 4743 1 15 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.544 0.117 17839 4744 1 15 . 1 1 48 48 GLU H H 48 7.732 7.732 7.424 0.308 17839 4745 1 15 . 1 1 49 49 ILE N N 49 120.605 120.605 117.491 3.114 17839 4746 1 15 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.116 -0.536 17839 4747 1 15 . 1 1 49 49 ILE C C 49 178.704 178.704 177.643 1.061 17839 4748 1 15 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.250 0.751 17839 4749 1 15 . 1 1 49 49 ILE CB C 49 37.963 37.963 36.914 1.049 17839 4750 1 15 . 1 1 49 49 ILE H H 49 8.551 8.551 7.541 1.010 17839 4751 1 15 . 1 1 50 50 LYS N N 50 119.061 119.061 118.004 1.057 17839 4752 1 15 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.170 -0.461 17839 4753 1 15 . 1 1 50 50 LYS C C 50 177.753 177.753 178.237 -0.484 17839 4754 1 15 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.575 1.089 17839 4755 1 15 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.476 -1.323 17839 4756 1 15 . 1 1 50 50 LYS H H 50 7.567 7.567 7.541 0.026 17839 4757 1 15 . 1 1 51 51 THR N N 51 109.727 109.727 115.584 -5.857 17839 4758 1 15 . 1 1 51 51 THR HA H 51 4.148 4.148 4.154 -0.006 17839 4759 1 15 . 1 1 51 51 THR C C 51 175.440 175.440 175.843 -0.403 17839 4760 1 15 . 1 1 51 51 THR CA C 51 63.347 63.347 65.619 -2.272 17839 4761 1 15 . 1 1 51 51 THR CB C 51 69.707 69.707 69.567 0.140 17839 4762 1 15 . 1 1 51 51 THR H H 51 7.426 7.426 7.829 -0.403 17839 4763 1 15 . 1 1 52 52 PHE N N 52 120.966 120.966 120.212 0.754 17839 4764 1 15 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.656 -0.148 17839 4765 1 15 . 1 1 52 52 PHE C C 52 176.816 176.816 175.345 1.471 17839 4766 1 15 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.216 -1.256 17839 4767 1 15 . 1 1 52 52 PHE CB C 52 37.524 37.524 39.328 -1.804 17839 4768 1 15 . 1 1 52 52 PHE H H 52 7.446 7.446 8.352 -0.906 17839 4769 1 15 . 1 1 53 53 THR N N 53 114.357 114.357 115.527 -1.170 17839 4770 1 15 . 1 1 53 53 THR HA H 53 4.223 4.223 3.773 0.450 17839 4771 1 15 . 1 1 53 53 THR C C 53 180.987 180.987 174.628 6.359 17839 4772 1 15 . 1 1 53 53 THR CA C 53 58.214 58.214 65.018 -6.804 17839 4773 1 15 . 1 1 53 53 THR CB C 53 70.157 70.157 69.291 0.866 17839 4774 1 15 . 1 1 53 53 THR H H 53 7.953 7.953 7.568 0.385 17839 4775 1 15 . 1 1 54 54 VAL N N 54 122.097 122.097 119.301 2.796 17839 4776 1 15 . 1 1 54 54 VAL HA H 54 4.102 4.102 3.922 0.180 17839 4777 1 15 . 1 1 54 54 VAL C C 54 179.509 179.509 174.961 4.548 17839 4778 1 15 . 1 1 54 54 VAL CA C 54 62.553 62.553 63.341 -0.788 17839 4779 1 15 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.066 0.656 17839 4780 1 15 . 1 1 54 54 VAL H H 54 8.045 8.045 7.500 0.545 17839 4781 1 15 . 1 1 55 55 THR N N 55 118.590 118.590 118.144 0.446 17839 4782 1 15 . 1 1 55 55 THR HA H 55 4.235 4.235 4.593 -0.358 17839 4783 1 15 . 1 1 55 55 THR CA C 55 61.732 61.732 60.983 0.749 17839 4784 1 15 . 1 1 55 55 THR CB C 55 69.869 69.869 70.471 -0.602 17839 4785 1 15 . 1 1 55 55 THR H H 55 8.209 8.209 7.998 0.211 17839 4786 1 16 . 1 1 2 2 THR N N 2 128.640 128.640 114.620 14.020 17839 4787 1 16 . 1 1 2 2 THR HA H 2 4.125 4.125 3.866 0.259 17839 4788 1 16 . 1 1 2 2 THR C C 2 173.743 173.743 173.271 0.472 17839 4789 1 16 . 1 1 2 2 THR CA C 2 61.651 61.651 62.312 -0.661 17839 4790 1 16 . 1 1 2 2 THR CB C 2 69.626 69.626 69.329 0.297 17839 4791 1 16 . 1 1 2 2 THR H H 2 7.994 7.994 7.974 0.020 17839 4792 1 16 . 1 1 3 3 TYR N N 3 124.112 124.112 121.562 2.550 17839 4793 1 16 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.432 -0.250 17839 4794 1 16 . 1 1 3 3 TYR C C 3 175.675 175.675 176.177 -0.502 17839 4795 1 16 . 1 1 3 3 TYR CA C 3 58.300 58.300 58.450 -0.150 17839 4796 1 16 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.429 0.089 17839 4797 1 16 . 1 1 3 3 TYR H H 3 8.325 8.325 8.121 0.204 17839 4798 1 16 . 1 1 4 4 LYS N N 4 122.769 122.769 126.862 -4.093 17839 4799 1 16 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.468 -0.585 17839 4800 1 16 . 1 1 4 4 LYS C C 4 175.923 175.923 175.936 -0.013 17839 4801 1 16 . 1 1 4 4 LYS CA C 4 56.423 56.423 55.811 0.612 17839 4802 1 16 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.804 -1.037 17839 4803 1 16 . 1 1 4 4 LYS H H 4 8.027 8.027 8.330 -0.303 17839 4804 1 16 . 1 1 5 5 LEU N N 5 122.314 122.314 118.591 3.723 17839 4805 1 16 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.670 -0.610 17839 4806 1 16 . 1 1 5 5 LEU C C 5 177.167 177.167 176.530 0.637 17839 4807 1 16 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.225 0.064 17839 4808 1 16 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.437 -0.422 17839 4809 1 16 . 1 1 5 5 LEU H H 5 7.919 7.919 8.550 -0.631 17839 4810 1 16 . 1 1 6 6 ILE N N 6 122.789 122.789 121.625 1.164 17839 4811 1 16 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.029 -0.164 17839 4812 1 16 . 1 1 6 6 ILE C C 6 176.231 176.231 175.056 1.175 17839 4813 1 16 . 1 1 6 6 ILE CA C 6 61.390 61.390 62.221 -0.832 17839 4814 1 16 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.296 -0.437 17839 4815 1 16 . 1 1 6 6 ILE H H 6 7.998 7.998 8.063 -0.065 17839 4816 1 16 . 1 1 7 7 LEU N N 7 125.831 125.831 129.483 -3.652 17839 4817 1 16 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.949 -0.769 17839 4818 1 16 . 1 1 7 7 LEU C C 7 177.079 177.079 176.308 0.771 17839 4819 1 16 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.040 1.016 17839 4820 1 16 . 1 1 7 7 LEU CB C 7 42.718 42.718 43.611 -0.893 17839 4821 1 16 . 1 1 7 7 LEU H H 7 8.099 8.099 8.541 -0.442 17839 4822 1 16 . 1 1 8 8 ASN N N 8 118.052 118.052 116.306 1.746 17839 4823 1 16 . 1 1 8 8 ASN HA H 8 4.474 4.474 5.038 -0.564 17839 4824 1 16 . 1 1 8 8 ASN C C 8 175.250 175.250 174.646 0.604 17839 4825 1 16 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.554 -0.071 17839 4826 1 16 . 1 1 8 8 ASN CB C 8 38.877 38.877 40.510 -1.633 17839 4827 1 16 . 1 1 8 8 ASN H H 8 8.058 8.058 8.109 -0.051 17839 4828 1 16 . 1 1 9 9 LEU N N 9 121.908 121.908 117.645 4.263 17839 4829 1 16 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.665 -1.013 17839 4830 1 16 . 1 1 9 9 LEU C C 9 177.065 177.065 178.101 -1.036 17839 4831 1 16 . 1 1 9 9 LEU CA C 9 58.524 58.524 56.851 1.673 17839 4832 1 16 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.115 -0.165 17839 4833 1 16 . 1 1 9 9 LEU H H 9 8.251 8.251 8.567 -0.316 17839 4834 1 16 . 1 1 10 10 LYS N N 10 118.870 118.870 120.397 -1.527 17839 4835 1 16 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.829 -0.169 17839 4836 1 16 . 1 1 10 10 LYS C C 10 178.689 178.689 178.482 0.207 17839 4837 1 16 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.031 -0.231 17839 4838 1 16 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.567 0.702 17839 4839 1 16 . 1 1 10 10 LYS H H 10 7.940 7.940 8.444 -0.504 17839 4840 1 16 . 1 1 11 11 GLN N N 11 117.959 117.959 117.084 0.875 17839 4841 1 16 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.041 -0.144 17839 4842 1 16 . 1 1 11 11 GLN C C 11 179.084 179.084 178.318 0.766 17839 4843 1 16 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.890 0.295 17839 4844 1 16 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.437 1.034 17839 4845 1 16 . 1 1 11 11 GLN H H 11 7.549 7.549 8.346 -0.797 17839 4846 1 16 . 1 1 12 12 ALA N N 12 122.975 122.975 121.659 1.316 17839 4847 1 16 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.498 0.405 17839 4848 1 16 . 1 1 12 12 ALA C C 12 179.596 179.596 178.797 0.799 17839 4849 1 16 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.453 0.971 17839 4850 1 16 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.072 0.144 17839 4851 1 16 . 1 1 12 12 ALA H H 12 8.363 8.363 8.491 -0.128 17839 4852 1 16 . 1 1 13 13 LYS N N 13 116.930 116.930 119.665 -2.735 17839 4853 1 16 . 1 1 13 13 LYS HA H 13 3.337 3.337 3.981 -0.644 17839 4854 1 16 . 1 1 13 13 LYS C C 13 177.621 177.621 178.409 -0.788 17839 4855 1 16 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.366 1.321 17839 4856 1 16 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.899 0.984 17839 4857 1 16 . 1 1 13 13 LYS H H 13 8.097 8.097 7.940 0.157 17839 4858 1 16 . 1 1 14 14 GLU N N 14 116.977 116.977 119.404 -2.427 17839 4859 1 16 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.093 -0.379 17839 4860 1 16 . 1 1 14 14 GLU C C 14 180.065 180.065 178.537 1.528 17839 4861 1 16 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.006 0.578 17839 4862 1 16 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.271 -0.082 17839 4863 1 16 . 1 1 14 14 GLU H H 14 7.582 7.582 7.939 -0.357 17839 4864 1 16 . 1 1 15 15 GLU N N 15 119.464 119.464 119.972 -0.508 17839 4865 1 16 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.763 0.146 17839 4866 1 16 . 1 1 15 15 GLU C C 15 178.367 178.367 178.717 -0.350 17839 4867 1 16 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.169 -0.570 17839 4868 1 16 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.571 0.464 17839 4869 1 16 . 1 1 15 15 GLU H H 15 8.313 8.313 7.403 0.910 17839 4870 1 16 . 1 1 16 16 ALA N N 16 122.073 122.073 121.585 0.488 17839 4871 1 16 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.068 -0.290 17839 4872 1 16 . 1 1 16 16 ALA C C 16 179.245 179.245 179.480 -0.235 17839 4873 1 16 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.173 0.159 17839 4874 1 16 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.643 0.113 17839 4875 1 16 . 1 1 16 16 ALA H H 16 8.427 8.427 7.603 0.824 17839 4876 1 16 . 1 1 17 17 ILE N N 17 117.151 117.151 119.654 -2.503 17839 4877 1 16 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.549 -0.450 17839 4878 1 16 . 1 1 17 17 ILE C C 17 177.196 177.196 177.985 -0.789 17839 4879 1 16 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.517 -0.448 17839 4880 1 16 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.705 -1.071 17839 4881 1 16 . 1 1 17 17 ILE H H 17 8.177 8.177 7.677 0.500 17839 4882 1 16 . 1 1 18 18 LYS N N 18 119.317 119.317 119.905 -0.588 17839 4883 1 16 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.878 -0.209 17839 4884 1 16 . 1 1 18 18 LYS C C 18 178.279 178.279 179.019 -0.740 17839 4885 1 16 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.127 -0.152 17839 4886 1 16 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.334 -0.319 17839 4887 1 16 . 1 1 18 18 LYS H H 18 7.525 7.525 8.452 -0.927 17839 4888 1 16 . 1 1 19 19 GLU N N 19 119.267 119.267 118.795 0.472 17839 4889 1 16 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.102 -0.177 17839 4890 1 16 . 1 1 19 19 GLU C C 19 178.104 178.104 179.264 -1.160 17839 4891 1 16 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.184 -0.279 17839 4892 1 16 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.673 -1.142 17839 4893 1 16 . 1 1 19 19 GLU H H 19 8.226 8.226 7.631 0.595 17839 4894 1 16 . 1 1 20 20 LEU N N 20 120.447 120.447 120.532 -0.085 17839 4895 1 16 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.244 -0.321 17839 4896 1 16 . 1 1 20 20 LEU C C 20 179.991 179.991 179.643 0.348 17839 4897 1 16 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.221 -0.119 17839 4898 1 16 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.407 -1.583 17839 4899 1 16 . 1 1 20 20 LEU H H 20 8.018 8.018 8.640 -0.622 17839 4900 1 16 . 1 1 21 21 VAL N N 21 124.479 124.479 118.788 5.691 17839 4901 1 16 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.718 0.100 17839 4902 1 16 . 1 1 21 21 VAL C C 21 177.431 177.431 177.484 -0.053 17839 4903 1 16 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.678 0.701 17839 4904 1 16 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.533 0.454 17839 4905 1 16 . 1 1 21 21 VAL H H 21 9.048 9.048 8.235 0.813 17839 4906 1 16 . 1 1 22 22 ASP N N 22 121.941 121.941 118.729 3.212 17839 4907 1 16 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.588 -0.644 17839 4908 1 16 . 1 1 22 22 ASP C C 22 179.713 179.713 175.867 3.846 17839 4909 1 16 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.499 1.617 17839 4910 1 16 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.598 -2.098 17839 4911 1 16 . 1 1 22 22 ASP H H 22 8.077 8.077 7.769 0.308 17839 4912 1 16 . 1 1 23 23 ALA N N 23 116.831 116.831 120.633 -3.802 17839 4913 1 16 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.609 -0.429 17839 4914 1 16 . 1 1 23 23 ALA C C 23 177.855 177.855 176.259 1.596 17839 4915 1 16 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.111 1.190 17839 4916 1 16 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.738 -2.748 17839 4917 1 16 . 1 1 23 23 ALA H H 23 6.897 6.897 7.184 -0.287 17839 4918 1 16 . 1 1 24 24 GLY N N 24 107.830 107.830 108.421 -0.591 17839 4919 1 16 . 1 1 24 24 GLY C C 24 174.665 174.665 174.216 0.449 17839 4920 1 16 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.991 -0.180 17839 4921 1 16 . 1 1 24 24 GLY H H 24 8.002 8.002 8.571 -0.569 17839 4922 1 16 . 1 1 25 25 THR N N 25 117.914 117.914 117.417 0.497 17839 4923 1 16 . 1 1 25 25 THR HA H 25 3.818 3.818 4.350 -0.532 17839 4924 1 16 . 1 1 25 25 THR C C 25 173.187 173.187 172.682 0.505 17839 4925 1 16 . 1 1 25 25 THR CA C 25 64.001 64.001 60.803 3.198 17839 4926 1 16 . 1 1 25 25 THR CB C 25 69.674 69.674 70.666 -0.992 17839 4927 1 16 . 1 1 25 25 THR H H 25 7.784 7.784 8.176 -0.392 17839 4928 1 16 . 1 1 26 26 ALA N N 26 128.480 128.480 124.352 4.128 17839 4929 1 16 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.625 -0.628 17839 4930 1 16 . 1 1 26 26 ALA C C 26 177.884 177.884 177.617 0.267 17839 4931 1 16 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.145 1.964 17839 4932 1 16 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.447 -0.579 17839 4933 1 16 . 1 1 26 26 ALA H H 26 8.749 8.749 8.780 -0.031 17839 4934 1 16 . 1 1 27 27 GLU N N 27 120.909 120.909 125.889 -4.980 17839 4935 1 16 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.344 -1.105 17839 4936 1 16 . 1 1 27 27 GLU C C 27 178.631 178.631 176.469 2.162 17839 4937 1 16 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.108 -1.270 17839 4938 1 16 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.307 0.611 17839 4939 1 16 . 1 1 27 27 GLU H H 27 8.150 8.150 8.989 -0.839 17839 4940 1 16 . 1 1 28 28 LYS N N 28 117.447 117.447 117.582 -0.135 17839 4941 1 16 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.757 0.032 17839 4942 1 16 . 1 1 28 28 LYS C C 28 177.211 177.211 178.962 -1.751 17839 4943 1 16 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.918 0.172 17839 4944 1 16 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.869 0.127 17839 4945 1 16 . 1 1 28 28 LYS H H 28 7.989 7.989 8.012 -0.023 17839 4946 1 16 . 1 1 29 29 TYR N N 29 116.462 116.462 118.775 -2.313 17839 4947 1 16 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.141 0.246 17839 4948 1 16 . 1 1 29 29 TYR C C 29 177.313 177.313 177.821 -0.508 17839 4949 1 16 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.746 -1.388 17839 4950 1 16 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.209 1.247 17839 4951 1 16 . 1 1 29 29 TYR H H 29 7.273 7.273 8.058 -0.785 17839 4952 1 16 . 1 1 30 30 PHE N N 30 119.334 119.334 117.441 1.893 17839 4953 1 16 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.299 -0.219 17839 4954 1 16 . 1 1 30 30 PHE C C 30 178.762 178.762 177.347 1.415 17839 4955 1 16 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.007 -0.435 17839 4956 1 16 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.649 4.472 17839 4957 1 16 . 1 1 30 30 PHE H H 30 7.991 7.991 7.470 0.521 17839 4958 1 16 . 1 1 31 31 LYS N N 31 118.612 118.612 119.458 -0.846 17839 4959 1 16 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.335 -0.431 17839 4960 1 16 . 1 1 31 31 LYS C C 31 177.694 177.694 178.239 -0.545 17839 4961 1 16 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.713 -0.093 17839 4962 1 16 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.303 -0.751 17839 4963 1 16 . 1 1 31 31 LYS H H 31 7.916 7.916 7.301 0.615 17839 4964 1 16 . 1 1 32 32 LEU N N 32 117.737 117.737 119.516 -1.779 17839 4965 1 16 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.152 -0.387 17839 4966 1 16 . 1 1 32 32 LEU C C 32 177.021 177.021 178.728 -1.707 17839 4967 1 16 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.220 0.121 17839 4968 1 16 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.752 -1.335 17839 4969 1 16 . 1 1 32 32 LEU H H 32 7.316 7.316 7.291 0.025 17839 4970 1 16 . 1 1 33 33 ILE N N 33 119.064 119.064 115.803 3.261 17839 4971 1 16 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.785 -0.133 17839 4972 1 16 . 1 1 33 33 ILE C C 33 177.489 177.489 178.060 -0.571 17839 4973 1 16 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.473 -2.688 17839 4974 1 16 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.154 -1.452 17839 4975 1 16 . 1 1 33 33 ILE H H 33 7.620 7.620 8.611 -0.991 17839 4976 1 16 . 1 1 34 34 ALA N N 34 119.319 119.319 121.810 -2.491 17839 4977 1 16 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.997 -0.217 17839 4978 1 16 . 1 1 34 34 ALA C C 34 179.128 179.128 178.162 0.966 17839 4979 1 16 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.913 -0.062 17839 4980 1 16 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.311 -0.061 17839 4981 1 16 . 1 1 34 34 ALA H H 34 7.594 7.594 7.756 -0.162 17839 4982 1 16 . 1 1 35 35 ASN N N 35 112.212 112.212 113.944 -1.732 17839 4983 1 16 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.674 -0.181 17839 4984 1 16 . 1 1 35 35 ASN C C 35 175.265 175.265 176.137 -0.872 17839 4985 1 16 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.756 -1.160 17839 4986 1 16 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.510 0.398 17839 4987 1 16 . 1 1 35 35 ASN H H 35 7.264 7.264 7.536 -0.272 17839 4988 1 16 . 1 1 36 36 ALA N N 36 124.435 124.435 121.512 2.923 17839 4989 1 16 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.189 -0.180 17839 4990 1 16 . 1 1 36 36 ALA C C 36 177.826 177.826 177.786 0.040 17839 4991 1 16 . 1 1 36 36 ALA CA C 36 53.137 53.137 53.651 -0.514 17839 4992 1 16 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.017 0.500 17839 4993 1 16 . 1 1 36 36 ALA H H 36 7.270 7.270 7.647 -0.377 17839 4994 1 16 . 1 1 37 37 LYS N N 37 116.671 116.671 113.977 2.694 17839 4995 1 16 . 1 1 37 37 LYS HA H 37 4.173 4.173 3.946 0.227 17839 4996 1 16 . 1 1 37 37 LYS C C 37 176.772 176.772 175.551 1.221 17839 4997 1 16 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.523 -0.986 17839 4998 1 16 . 1 1 37 37 LYS CB C 37 34.899 34.899 31.084 3.815 17839 4999 1 16 . 1 1 37 37 LYS H H 37 8.682 8.682 8.470 0.212 17839 5000 1 16 . 1 1 38 38 THR N N 38 106.220 106.220 107.986 -1.766 17839 5001 1 16 . 1 1 38 38 THR HA H 38 4.541 4.541 4.701 -0.160 17839 5002 1 16 . 1 1 38 38 THR C C 38 173.816 173.816 174.174 -0.358 17839 5003 1 16 . 1 1 38 38 THR CA C 38 58.209 58.209 60.048 -1.839 17839 5004 1 16 . 1 1 38 38 THR CB C 38 72.726 72.726 72.298 0.428 17839 5005 1 16 . 1 1 38 38 THR H H 38 7.232 7.232 7.587 -0.355 17839 5006 1 16 . 1 1 39 39 VAL N N 39 122.896 122.896 119.439 3.457 17839 5007 1 16 . 1 1 39 39 VAL HA H 39 2.878 2.878 4.313 -1.435 17839 5008 1 16 . 1 1 39 39 VAL C C 39 176.655 176.655 177.093 -0.438 17839 5009 1 16 . 1 1 39 39 VAL CA C 39 67.118 67.118 64.715 2.403 17839 5010 1 16 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.604 -0.344 17839 5011 1 16 . 1 1 39 39 VAL H H 39 8.835 8.835 8.564 0.271 17839 5012 1 16 . 1 1 40 40 GLU N N 40 117.945 117.945 120.676 -2.731 17839 5013 1 16 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.190 -0.408 17839 5014 1 16 . 1 1 40 40 GLU C C 40 179.362 179.362 178.898 0.464 17839 5015 1 16 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.218 0.706 17839 5016 1 16 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.310 -0.054 17839 5017 1 16 . 1 1 40 40 GLU H H 40 8.735 8.735 9.012 -0.277 17839 5018 1 16 . 1 1 41 41 GLY N N 41 108.576 108.576 108.201 0.375 17839 5019 1 16 . 1 1 41 41 GLY C C 41 176.275 176.275 176.100 0.175 17839 5020 1 16 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.763 -0.458 17839 5021 1 16 . 1 1 41 41 GLY H H 41 8.019 8.019 8.475 -0.456 17839 5022 1 16 . 1 1 42 42 VAL N N 42 122.823 122.823 121.977 0.846 17839 5023 1 16 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.851 -0.108 17839 5024 1 16 . 1 1 42 42 VAL C C 42 177.211 177.211 177.820 -0.609 17839 5025 1 16 . 1 1 42 42 VAL CA C 42 67.317 67.317 65.182 2.135 17839 5026 1 16 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.452 -1.219 17839 5027 1 16 . 1 1 42 42 VAL H H 42 7.705 7.705 7.399 0.306 17839 5028 1 16 . 1 1 43 43 TRP N N 43 119.439 119.439 118.599 0.840 17839 5029 1 16 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.358 -0.046 17839 5030 1 16 . 1 1 43 43 TRP C C 43 178.879 178.879 178.515 0.364 17839 5031 1 16 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.433 -2.200 17839 5032 1 16 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.084 -0.281 17839 5033 1 16 . 1 1 43 43 TRP H H 43 7.497 7.497 8.857 -1.360 17839 5034 1 16 . 1 1 44 44 THR N N 44 115.130 115.130 114.170 0.960 17839 5035 1 16 . 1 1 44 44 THR HA H 44 3.877 3.877 3.974 -0.097 17839 5036 1 16 . 1 1 44 44 THR C C 44 177.299 177.299 176.545 0.754 17839 5037 1 16 . 1 1 44 44 THR CA C 44 66.178 66.178 65.748 0.430 17839 5038 1 16 . 1 1 44 44 THR CB C 44 68.938 68.938 68.258 0.680 17839 5039 1 16 . 1 1 44 44 THR H H 44 8.278 8.278 7.638 0.640 17839 5040 1 16 . 1 1 45 45 LEU N N 45 123.159 123.159 123.106 0.053 17839 5041 1 16 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.255 -0.316 17839 5042 1 16 . 1 1 45 45 LEU C C 45 178.235 178.235 178.465 -0.230 17839 5043 1 16 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.044 -0.397 17839 5044 1 16 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.706 0.602 17839 5045 1 16 . 1 1 45 45 LEU H H 45 7.835 7.835 7.776 0.059 17839 5046 1 16 . 1 1 46 46 LYS N N 46 119.348 119.348 119.197 0.151 17839 5047 1 16 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.878 -0.358 17839 5048 1 16 . 1 1 46 46 LYS C C 46 177.518 177.518 178.694 -1.176 17839 5049 1 16 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.693 0.865 17839 5050 1 16 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.822 -1.597 17839 5051 1 16 . 1 1 46 46 LYS H H 46 8.521 8.521 7.938 0.583 17839 5052 1 16 . 1 1 47 47 ASP N N 47 117.390 117.390 119.613 -2.223 17839 5053 1 16 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.495 -0.759 17839 5054 1 16 . 1 1 47 47 ASP C C 47 178.689 178.689 177.973 0.716 17839 5055 1 16 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.063 0.076 17839 5056 1 16 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.849 -1.053 17839 5057 1 16 . 1 1 47 47 ASP H H 47 7.450 7.450 7.798 -0.348 17839 5058 1 16 . 1 1 48 48 GLU N N 48 121.902 121.902 120.473 1.429 17839 5059 1 16 . 1 1 48 48 GLU HA H 48 3.760 3.760 3.797 -0.037 17839 5060 1 16 . 1 1 48 48 GLU C C 48 179.201 179.201 178.586 0.615 17839 5061 1 16 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.518 -0.446 17839 5062 1 16 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.401 0.260 17839 5063 1 16 . 1 1 48 48 GLU H H 48 7.732 7.732 7.336 0.396 17839 5064 1 16 . 1 1 49 49 ILE N N 49 120.605 120.605 118.735 1.870 17839 5065 1 16 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.896 -0.316 17839 5066 1 16 . 1 1 49 49 ILE C C 49 178.704 178.704 177.077 1.627 17839 5067 1 16 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.281 0.720 17839 5068 1 16 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.865 0.098 17839 5069 1 16 . 1 1 49 49 ILE H H 49 8.551 8.551 7.792 0.759 17839 5070 1 16 . 1 1 50 50 LYS N N 50 119.061 119.061 117.959 1.102 17839 5071 1 16 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.172 -0.463 17839 5072 1 16 . 1 1 50 50 LYS C C 50 177.753 177.753 177.393 0.360 17839 5073 1 16 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.468 1.196 17839 5074 1 16 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.937 -0.784 17839 5075 1 16 . 1 1 50 50 LYS H H 50 7.567 7.567 7.592 -0.025 17839 5076 1 16 . 1 1 51 51 THR N N 51 109.727 109.727 112.715 -2.988 17839 5077 1 16 . 1 1 51 51 THR HA H 51 4.148 4.148 4.349 -0.201 17839 5078 1 16 . 1 1 51 51 THR C C 51 175.440 175.440 175.517 -0.077 17839 5079 1 16 . 1 1 51 51 THR CA C 51 63.347 63.347 62.398 0.949 17839 5080 1 16 . 1 1 51 51 THR CB C 51 69.707 69.707 70.377 -0.670 17839 5081 1 16 . 1 1 51 51 THR H H 51 7.426 7.426 7.493 -0.067 17839 5082 1 16 . 1 1 52 52 PHE N N 52 120.966 120.966 119.845 1.121 17839 5083 1 16 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.110 0.398 17839 5084 1 16 . 1 1 52 52 PHE C C 52 176.816 176.816 174.537 2.279 17839 5085 1 16 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.526 -2.566 17839 5086 1 16 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.914 -0.391 17839 5087 1 16 . 1 1 52 52 PHE H H 52 7.446 7.446 8.562 -1.116 17839 5088 1 16 . 1 1 53 53 THR N N 53 114.357 114.357 110.448 3.909 17839 5089 1 16 . 1 1 53 53 THR HA H 53 4.223 4.223 4.526 -0.303 17839 5090 1 16 . 1 1 53 53 THR C C 53 180.987 180.987 174.747 6.240 17839 5091 1 16 . 1 1 53 53 THR CA C 53 58.214 58.214 61.007 -2.793 17839 5092 1 16 . 1 1 53 53 THR CB C 53 70.157 70.157 70.165 -0.008 17839 5093 1 16 . 1 1 53 53 THR H H 53 7.953 7.953 7.602 0.351 17839 5094 1 16 . 1 1 54 54 VAL N N 54 122.097 122.097 118.861 3.236 17839 5095 1 16 . 1 1 54 54 VAL HA H 54 4.102 4.102 3.637 0.465 17839 5096 1 16 . 1 1 54 54 VAL C C 54 179.509 179.509 176.543 2.966 17839 5097 1 16 . 1 1 54 54 VAL CA C 54 62.553 62.553 64.990 -2.437 17839 5098 1 16 . 1 1 54 54 VAL CB C 54 32.722 32.722 31.066 1.656 17839 5099 1 16 . 1 1 54 54 VAL H H 54 8.045 8.045 8.656 -0.611 17839 5100 1 16 . 1 1 55 55 THR N N 55 118.590 118.590 116.269 2.321 17839 5101 1 16 . 1 1 55 55 THR HA H 55 4.235 4.235 4.344 -0.109 17839 5102 1 16 . 1 1 55 55 THR CA C 55 61.732 61.732 64.070 -2.338 17839 5103 1 16 . 1 1 55 55 THR CB C 55 69.869 69.869 69.401 0.468 17839 5104 1 16 . 1 1 55 55 THR H H 55 8.209 8.209 8.246 -0.037 17839 5105 1 17 . 1 1 2 2 THR N N 2 128.640 128.640 119.118 9.522 17839 5106 1 17 . 1 1 2 2 THR HA H 2 4.125 4.125 4.524 -0.399 17839 5107 1 17 . 1 1 2 2 THR C C 2 173.743 173.743 172.543 1.200 17839 5108 1 17 . 1 1 2 2 THR CA C 2 61.651 61.651 61.700 -0.049 17839 5109 1 17 . 1 1 2 2 THR CB C 2 69.626 69.626 69.745 -0.119 17839 5110 1 17 . 1 1 2 2 THR H H 2 7.994 7.994 8.175 -0.181 17839 5111 1 17 . 1 1 3 3 TYR N N 3 124.112 124.112 122.980 1.132 17839 5112 1 17 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.838 -0.656 17839 5113 1 17 . 1 1 3 3 TYR C C 3 175.675 175.675 175.192 0.483 17839 5114 1 17 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.170 1.130 17839 5115 1 17 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.427 -0.909 17839 5116 1 17 . 1 1 3 3 TYR H H 3 8.325 8.325 8.490 -0.165 17839 5117 1 17 . 1 1 4 4 LYS N N 4 122.769 122.769 126.442 -3.673 17839 5118 1 17 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.465 -0.582 17839 5119 1 17 . 1 1 4 4 LYS C C 4 175.923 175.923 174.560 1.363 17839 5120 1 17 . 1 1 4 4 LYS CA C 4 56.423 56.423 54.969 1.454 17839 5121 1 17 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.759 -0.992 17839 5122 1 17 . 1 1 4 4 LYS H H 4 8.027 8.027 8.216 -0.189 17839 5123 1 17 . 1 1 5 5 LEU N N 5 122.314 122.314 120.556 1.758 17839 5124 1 17 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.466 -0.406 17839 5125 1 17 . 1 1 5 5 LEU C C 5 177.167 177.167 175.910 1.257 17839 5126 1 17 . 1 1 5 5 LEU CA C 5 55.289 55.289 54.470 0.819 17839 5127 1 17 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.390 -0.375 17839 5128 1 17 . 1 1 5 5 LEU H H 5 7.919 7.919 8.146 -0.227 17839 5129 1 17 . 1 1 6 6 ILE N N 6 122.789 122.789 127.210 -4.421 17839 5130 1 17 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.221 -0.356 17839 5131 1 17 . 1 1 6 6 ILE C C 6 176.231 176.231 175.138 1.093 17839 5132 1 17 . 1 1 6 6 ILE CA C 6 61.390 61.390 60.535 0.855 17839 5133 1 17 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.503 -0.644 17839 5134 1 17 . 1 1 6 6 ILE H H 6 7.998 7.998 8.315 -0.317 17839 5135 1 17 . 1 1 7 7 LEU N N 7 125.831 125.831 126.833 -1.002 17839 5136 1 17 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.888 -0.708 17839 5137 1 17 . 1 1 7 7 LEU C C 7 177.079 177.079 175.720 1.359 17839 5138 1 17 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.612 0.444 17839 5139 1 17 . 1 1 7 7 LEU CB C 7 42.718 42.718 43.493 -0.775 17839 5140 1 17 . 1 1 7 7 LEU H H 7 8.099 8.099 8.289 -0.190 17839 5141 1 17 . 1 1 8 8 ASN N N 8 118.052 118.052 119.910 -1.858 17839 5142 1 17 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.922 -0.448 17839 5143 1 17 . 1 1 8 8 ASN C C 8 175.250 175.250 175.126 0.124 17839 5144 1 17 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.208 0.275 17839 5145 1 17 . 1 1 8 8 ASN CB C 8 38.877 38.877 41.566 -2.689 17839 5146 1 17 . 1 1 8 8 ASN H H 8 8.058 8.058 8.109 -0.051 17839 5147 1 17 . 1 1 9 9 LEU N N 9 121.908 121.908 118.372 3.536 17839 5148 1 17 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.521 -0.869 17839 5149 1 17 . 1 1 9 9 LEU C C 9 177.065 177.065 178.000 -0.935 17839 5150 1 17 . 1 1 9 9 LEU CA C 9 58.524 58.524 56.913 1.611 17839 5151 1 17 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.195 -0.245 17839 5152 1 17 . 1 1 9 9 LEU H H 9 8.251 8.251 8.423 -0.172 17839 5153 1 17 . 1 1 10 10 LYS N N 10 118.870 118.870 120.146 -1.276 17839 5154 1 17 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.935 -0.275 17839 5155 1 17 . 1 1 10 10 LYS C C 10 178.689 178.689 177.990 0.699 17839 5156 1 17 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.272 0.528 17839 5157 1 17 . 1 1 10 10 LYS CB C 10 32.269 32.269 30.744 1.525 17839 5158 1 17 . 1 1 10 10 LYS H H 10 7.940 7.940 8.713 -0.773 17839 5159 1 17 . 1 1 11 11 GLN N N 11 117.959 117.959 117.752 0.207 17839 5160 1 17 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.088 -0.191 17839 5161 1 17 . 1 1 11 11 GLN C C 11 179.084 179.084 178.246 0.838 17839 5162 1 17 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.441 0.744 17839 5163 1 17 . 1 1 11 11 GLN CB C 11 29.471 29.471 27.888 1.583 17839 5164 1 17 . 1 1 11 11 GLN H H 11 7.549 7.549 8.694 -1.145 17839 5165 1 17 . 1 1 12 12 ALA N N 12 122.975 122.975 122.312 0.663 17839 5166 1 17 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.570 0.333 17839 5167 1 17 . 1 1 12 12 ALA C C 12 179.596 179.596 178.731 0.865 17839 5168 1 17 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.135 1.288 17839 5169 1 17 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.268 -0.052 17839 5170 1 17 . 1 1 12 12 ALA H H 12 8.363 8.363 8.559 -0.196 17839 5171 1 17 . 1 1 13 13 LYS N N 13 116.930 116.930 120.227 -3.297 17839 5172 1 17 . 1 1 13 13 LYS HA H 13 3.337 3.337 3.953 -0.616 17839 5173 1 17 . 1 1 13 13 LYS C C 13 177.621 177.621 178.270 -0.649 17839 5174 1 17 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.289 1.398 17839 5175 1 17 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.735 1.148 17839 5176 1 17 . 1 1 13 13 LYS H H 13 8.097 8.097 7.856 0.241 17839 5177 1 17 . 1 1 14 14 GLU N N 14 116.977 116.977 119.155 -2.178 17839 5178 1 17 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.076 -0.362 17839 5179 1 17 . 1 1 14 14 GLU C C 14 180.065 180.065 178.265 1.800 17839 5180 1 17 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.303 0.281 17839 5181 1 17 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.591 -0.402 17839 5182 1 17 . 1 1 14 14 GLU H H 14 7.582 7.582 8.298 -0.716 17839 5183 1 17 . 1 1 15 15 GLU N N 15 119.464 119.464 119.769 -0.305 17839 5184 1 17 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.794 0.115 17839 5185 1 17 . 1 1 15 15 GLU C C 15 178.367 178.367 178.781 -0.414 17839 5186 1 17 . 1 1 15 15 GLU CA C 15 58.599 58.599 58.998 -0.399 17839 5187 1 17 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.541 0.494 17839 5188 1 17 . 1 1 15 15 GLU H H 15 8.313 8.313 7.400 0.913 17839 5189 1 17 . 1 1 16 16 ALA N N 16 122.073 122.073 121.344 0.729 17839 5190 1 17 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.090 -0.312 17839 5191 1 17 . 1 1 16 16 ALA C C 16 179.245 179.245 179.488 -0.243 17839 5192 1 17 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.039 0.293 17839 5193 1 17 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.663 0.094 17839 5194 1 17 . 1 1 16 16 ALA H H 16 8.427 8.427 7.636 0.791 17839 5195 1 17 . 1 1 17 17 ILE N N 17 117.151 117.151 120.046 -2.895 17839 5196 1 17 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.573 -0.474 17839 5197 1 17 . 1 1 17 17 ILE C C 17 177.196 177.196 177.679 -0.483 17839 5198 1 17 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.802 -0.733 17839 5199 1 17 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.814 -1.180 17839 5200 1 17 . 1 1 17 17 ILE H H 17 8.177 8.177 7.603 0.574 17839 5201 1 17 . 1 1 18 18 LYS N N 18 119.317 119.317 119.569 -0.252 17839 5202 1 17 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.917 -0.248 17839 5203 1 17 . 1 1 18 18 LYS C C 18 178.279 178.279 179.065 -0.786 17839 5204 1 17 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.894 0.081 17839 5205 1 17 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.291 -0.276 17839 5206 1 17 . 1 1 18 18 LYS H H 18 7.525 7.525 8.479 -0.954 17839 5207 1 17 . 1 1 19 19 GLU N N 19 119.267 119.267 119.158 0.109 17839 5208 1 17 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.090 -0.165 17839 5209 1 17 . 1 1 19 19 GLU C C 19 178.104 178.104 179.216 -1.112 17839 5210 1 17 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.959 -0.054 17839 5211 1 17 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.506 -0.975 17839 5212 1 17 . 1 1 19 19 GLU H H 19 8.226 8.226 7.550 0.676 17839 5213 1 17 . 1 1 20 20 LEU N N 20 120.447 120.447 120.486 -0.039 17839 5214 1 17 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.133 -0.210 17839 5215 1 17 . 1 1 20 20 LEU C C 20 179.991 179.991 178.823 1.168 17839 5216 1 17 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.406 -0.304 17839 5217 1 17 . 1 1 20 20 LEU CB C 20 40.825 40.825 41.947 -1.122 17839 5218 1 17 . 1 1 20 20 LEU H H 20 8.018 8.018 8.501 -0.483 17839 5219 1 17 . 1 1 21 21 VAL N N 21 124.479 124.479 114.033 10.446 17839 5220 1 17 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.839 -0.021 17839 5221 1 17 . 1 1 21 21 VAL C C 21 177.431 177.431 177.240 0.191 17839 5222 1 17 . 1 1 21 21 VAL CA C 21 66.379 66.379 64.829 1.550 17839 5223 1 17 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.168 0.819 17839 5224 1 17 . 1 1 21 21 VAL H H 21 9.048 9.048 7.624 1.424 17839 5225 1 17 . 1 1 22 22 ASP N N 22 121.941 121.941 120.825 1.116 17839 5226 1 17 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.532 -0.588 17839 5227 1 17 . 1 1 22 22 ASP C C 22 179.713 179.713 175.903 3.810 17839 5228 1 17 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.975 1.141 17839 5229 1 17 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.683 -2.183 17839 5230 1 17 . 1 1 22 22 ASP H H 22 8.077 8.077 7.775 0.302 17839 5231 1 17 . 1 1 23 23 ALA N N 23 116.831 116.831 120.382 -3.551 17839 5232 1 17 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.582 -0.402 17839 5233 1 17 . 1 1 23 23 ALA C C 23 177.855 177.855 176.696 1.159 17839 5234 1 17 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.024 1.277 17839 5235 1 17 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.588 -2.598 17839 5236 1 17 . 1 1 23 23 ALA H H 23 6.897 6.897 7.208 -0.311 17839 5237 1 17 . 1 1 24 24 GLY N N 24 107.830 107.830 109.686 -1.856 17839 5238 1 17 . 1 1 24 24 GLY C C 24 174.665 174.665 173.724 0.941 17839 5239 1 17 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.898 -0.087 17839 5240 1 17 . 1 1 24 24 GLY H H 24 8.002 8.002 8.665 -0.663 17839 5241 1 17 . 1 1 25 25 THR N N 25 117.914 117.914 116.962 0.952 17839 5242 1 17 . 1 1 25 25 THR HA H 25 3.818 3.818 4.059 -0.241 17839 5243 1 17 . 1 1 25 25 THR C C 25 173.187 173.187 173.689 -0.502 17839 5244 1 17 . 1 1 25 25 THR CA C 25 64.001 64.001 59.813 4.188 17839 5245 1 17 . 1 1 25 25 THR CB C 25 69.674 69.674 69.528 0.145 17839 5246 1 17 . 1 1 25 25 THR H H 25 7.784 7.784 7.908 -0.124 17839 5247 1 17 . 1 1 26 26 ALA N N 26 128.480 128.480 122.348 6.132 17839 5248 1 17 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.640 -0.643 17839 5249 1 17 . 1 1 26 26 ALA C C 26 177.884 177.884 176.586 1.298 17839 5250 1 17 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.181 1.928 17839 5251 1 17 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.695 -1.827 17839 5252 1 17 . 1 1 26 26 ALA H H 26 8.749 8.749 8.621 0.128 17839 5253 1 17 . 1 1 27 27 GLU N N 27 120.909 120.909 118.107 2.802 17839 5254 1 17 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.997 -1.758 17839 5255 1 17 . 1 1 27 27 GLU C C 27 178.631 178.631 177.189 1.442 17839 5256 1 17 . 1 1 27 27 GLU CA C 27 57.838 57.838 58.611 -0.773 17839 5257 1 17 . 1 1 27 27 GLU CB C 27 28.918 28.918 29.031 -0.113 17839 5258 1 17 . 1 1 27 27 GLU H H 27 8.150 8.150 8.724 -0.574 17839 5259 1 17 . 1 1 28 28 LYS N N 28 117.447 117.447 118.894 -1.447 17839 5260 1 17 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.705 0.084 17839 5261 1 17 . 1 1 28 28 LYS C C 28 177.211 177.211 178.382 -1.171 17839 5262 1 17 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.211 -0.121 17839 5263 1 17 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.687 0.309 17839 5264 1 17 . 1 1 28 28 LYS H H 28 7.989 7.989 8.305 -0.316 17839 5265 1 17 . 1 1 29 29 TYR N N 29 116.462 116.462 117.366 -0.904 17839 5266 1 17 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.165 0.222 17839 5267 1 17 . 1 1 29 29 TYR C C 29 177.313 177.313 178.040 -0.727 17839 5268 1 17 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.385 -1.027 17839 5269 1 17 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.371 1.085 17839 5270 1 17 . 1 1 29 29 TYR H H 29 7.273 7.273 7.336 -0.063 17839 5271 1 17 . 1 1 30 30 PHE N N 30 119.334 119.334 117.283 2.051 17839 5272 1 17 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.390 -0.310 17839 5273 1 17 . 1 1 30 30 PHE C C 30 178.762 178.762 177.315 1.447 17839 5274 1 17 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.770 -0.198 17839 5275 1 17 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.630 4.490 17839 5276 1 17 . 1 1 30 30 PHE H H 30 7.991 7.991 7.822 0.169 17839 5277 1 17 . 1 1 31 31 LYS N N 31 118.612 118.612 120.508 -1.896 17839 5278 1 17 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.323 -0.419 17839 5279 1 17 . 1 1 31 31 LYS C C 31 177.694 177.694 178.946 -1.252 17839 5280 1 17 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.058 -0.438 17839 5281 1 17 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.302 -0.750 17839 5282 1 17 . 1 1 31 31 LYS H H 31 7.916 7.916 7.070 0.846 17839 5283 1 17 . 1 1 32 32 LEU N N 32 117.737 117.737 120.402 -2.665 17839 5284 1 17 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.125 -0.360 17839 5285 1 17 . 1 1 32 32 LEU C C 32 177.021 177.021 178.696 -1.675 17839 5286 1 17 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.556 -0.215 17839 5287 1 17 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.580 -1.163 17839 5288 1 17 . 1 1 32 32 LEU H H 32 7.316 7.316 7.881 -0.566 17839 5289 1 17 . 1 1 33 33 ILE N N 33 119.064 119.064 115.891 3.173 17839 5290 1 17 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.813 -0.161 17839 5291 1 17 . 1 1 33 33 ILE C C 33 177.489 177.489 178.101 -0.612 17839 5292 1 17 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.514 -2.729 17839 5293 1 17 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.169 -1.466 17839 5294 1 17 . 1 1 33 33 ILE H H 33 7.620 7.620 8.515 -0.895 17839 5295 1 17 . 1 1 34 34 ALA N N 34 119.319 119.319 121.329 -2.010 17839 5296 1 17 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.007 -0.227 17839 5297 1 17 . 1 1 34 34 ALA C C 34 179.128 179.128 178.354 0.774 17839 5298 1 17 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.856 -0.004 17839 5299 1 17 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.125 0.125 17839 5300 1 17 . 1 1 34 34 ALA H H 34 7.594 7.594 7.745 -0.151 17839 5301 1 17 . 1 1 35 35 ASN N N 35 112.212 112.212 116.733 -4.521 17839 5302 1 17 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.612 -0.119 17839 5303 1 17 . 1 1 35 35 ASN C C 35 175.265 175.265 175.547 -0.282 17839 5304 1 17 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.670 -1.074 17839 5305 1 17 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.483 -0.575 17839 5306 1 17 . 1 1 35 35 ASN H H 35 7.264 7.264 7.907 -0.643 17839 5307 1 17 . 1 1 36 36 ALA N N 36 124.435 124.435 123.291 1.144 17839 5308 1 17 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.230 -0.221 17839 5309 1 17 . 1 1 36 36 ALA C C 36 177.826 177.826 176.681 1.145 17839 5310 1 17 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.779 0.358 17839 5311 1 17 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.962 -0.445 17839 5312 1 17 . 1 1 36 36 ALA H H 36 7.270 7.270 7.471 -0.201 17839 5313 1 17 . 1 1 37 37 LYS N N 37 116.671 116.671 118.981 -2.310 17839 5314 1 17 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.350 -0.177 17839 5315 1 17 . 1 1 37 37 LYS C C 37 176.772 176.772 176.071 0.701 17839 5316 1 17 . 1 1 37 37 LYS CA C 37 56.537 56.537 56.644 -0.107 17839 5317 1 17 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.697 2.202 17839 5318 1 17 . 1 1 37 37 LYS H H 37 8.682 8.682 8.373 0.309 17839 5319 1 17 . 1 1 38 38 THR N N 38 106.220 106.220 111.582 -5.362 17839 5320 1 17 . 1 1 38 38 THR HA H 38 4.541 4.541 4.620 -0.079 17839 5321 1 17 . 1 1 38 38 THR C C 38 173.816 173.816 175.906 -2.090 17839 5322 1 17 . 1 1 38 38 THR CA C 38 58.209 58.209 60.512 -2.303 17839 5323 1 17 . 1 1 38 38 THR CB C 38 72.726 72.726 71.281 1.445 17839 5324 1 17 . 1 1 38 38 THR H H 38 7.232 7.232 7.577 -0.345 17839 5325 1 17 . 1 1 39 39 VAL N N 39 122.896 122.896 121.339 1.557 17839 5326 1 17 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.933 -1.055 17839 5327 1 17 . 1 1 39 39 VAL C C 39 176.655 176.655 177.277 -0.622 17839 5328 1 17 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.611 1.508 17839 5329 1 17 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.326 -0.066 17839 5330 1 17 . 1 1 39 39 VAL H H 39 8.835 8.835 8.914 -0.079 17839 5331 1 17 . 1 1 40 40 GLU N N 40 117.945 117.945 120.025 -2.080 17839 5332 1 17 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.181 -0.399 17839 5333 1 17 . 1 1 40 40 GLU C C 40 179.362 179.362 179.184 0.178 17839 5334 1 17 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.920 0.004 17839 5335 1 17 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.619 -0.363 17839 5336 1 17 . 1 1 40 40 GLU H H 40 8.735 8.735 9.056 -0.321 17839 5337 1 17 . 1 1 41 41 GLY N N 41 108.576 108.576 107.241 1.335 17839 5338 1 17 . 1 1 41 41 GLY C C 41 176.275 176.275 176.000 0.275 17839 5339 1 17 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.909 -0.604 17839 5340 1 17 . 1 1 41 41 GLY H H 41 8.019 8.019 7.908 0.111 17839 5341 1 17 . 1 1 42 42 VAL N N 42 122.823 122.823 122.574 0.249 17839 5342 1 17 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.883 -0.140 17839 5343 1 17 . 1 1 42 42 VAL C C 42 177.211 177.211 177.681 -0.470 17839 5344 1 17 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.560 0.757 17839 5345 1 17 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.715 -1.482 17839 5346 1 17 . 1 1 42 42 VAL H H 42 7.705 7.705 7.476 0.229 17839 5347 1 17 . 1 1 43 43 TRP N N 43 119.439 119.439 118.773 0.666 17839 5348 1 17 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.427 -0.115 17839 5349 1 17 . 1 1 43 43 TRP C C 43 178.879 178.879 178.685 0.194 17839 5350 1 17 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.273 -2.039 17839 5351 1 17 . 1 1 43 43 TRP CB C 43 28.803 28.803 28.990 -0.187 17839 5352 1 17 . 1 1 43 43 TRP H H 43 7.497 7.497 9.213 -1.716 17839 5353 1 17 . 1 1 44 44 THR N N 44 115.130 115.130 114.434 0.696 17839 5354 1 17 . 1 1 44 44 THR HA H 44 3.877 3.877 4.073 -0.196 17839 5355 1 17 . 1 1 44 44 THR C C 44 177.299 177.299 176.237 1.062 17839 5356 1 17 . 1 1 44 44 THR CA C 44 66.178 66.178 65.212 0.966 17839 5357 1 17 . 1 1 44 44 THR CB C 44 68.938 68.938 68.025 0.913 17839 5358 1 17 . 1 1 44 44 THR H H 44 8.278 8.278 7.684 0.594 17839 5359 1 17 . 1 1 45 45 LEU N N 45 123.159 123.159 122.685 0.474 17839 5360 1 17 . 1 1 45 45 LEU HA H 45 3.939 3.939 3.902 0.037 17839 5361 1 17 . 1 1 45 45 LEU C C 45 178.235 178.235 178.330 -0.095 17839 5362 1 17 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.387 -0.740 17839 5363 1 17 . 1 1 45 45 LEU CB C 45 42.308 42.308 42.070 0.238 17839 5364 1 17 . 1 1 45 45 LEU H H 45 7.835 7.835 7.721 0.114 17839 5365 1 17 . 1 1 46 46 LYS N N 46 119.348 119.348 117.945 1.403 17839 5366 1 17 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.890 -0.370 17839 5367 1 17 . 1 1 46 46 LYS C C 46 177.518 177.518 178.314 -0.796 17839 5368 1 17 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.316 1.242 17839 5369 1 17 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.295 -1.070 17839 5370 1 17 . 1 1 46 46 LYS H H 46 8.521 8.521 8.389 0.132 17839 5371 1 17 . 1 1 47 47 ASP N N 47 117.390 117.390 119.117 -1.727 17839 5372 1 17 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.376 -0.640 17839 5373 1 17 . 1 1 47 47 ASP C C 47 178.689 178.689 177.891 0.798 17839 5374 1 17 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.522 -0.383 17839 5375 1 17 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.799 -1.003 17839 5376 1 17 . 1 1 47 47 ASP H H 47 7.450 7.450 7.800 -0.350 17839 5377 1 17 . 1 1 48 48 GLU N N 48 121.902 121.902 118.804 3.098 17839 5378 1 17 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.111 -0.351 17839 5379 1 17 . 1 1 48 48 GLU C C 48 179.201 179.201 178.678 0.523 17839 5380 1 17 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.299 0.773 17839 5381 1 17 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.169 0.492 17839 5382 1 17 . 1 1 48 48 GLU H H 48 7.732 7.732 7.778 -0.046 17839 5383 1 17 . 1 1 49 49 ILE N N 49 120.605 120.605 117.645 2.960 17839 5384 1 17 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.264 -0.684 17839 5385 1 17 . 1 1 49 49 ILE C C 49 178.704 178.704 177.655 1.049 17839 5386 1 17 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.304 0.697 17839 5387 1 17 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.476 0.487 17839 5388 1 17 . 1 1 49 49 ILE H H 49 8.551 8.551 7.516 1.035 17839 5389 1 17 . 1 1 50 50 LYS N N 50 119.061 119.061 117.579 1.482 17839 5390 1 17 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.248 -0.539 17839 5391 1 17 . 1 1 50 50 LYS C C 50 177.753 177.753 177.919 -0.166 17839 5392 1 17 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.414 1.250 17839 5393 1 17 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.837 -0.684 17839 5394 1 17 . 1 1 50 50 LYS H H 50 7.567 7.567 7.784 -0.217 17839 5395 1 17 . 1 1 51 51 THR N N 51 109.727 109.727 113.805 -4.078 17839 5396 1 17 . 1 1 51 51 THR HA H 51 4.148 4.148 4.307 -0.159 17839 5397 1 17 . 1 1 51 51 THR C C 51 175.440 175.440 175.000 0.440 17839 5398 1 17 . 1 1 51 51 THR CA C 51 63.347 63.347 62.944 0.403 17839 5399 1 17 . 1 1 51 51 THR CB C 51 69.707 69.707 69.782 -0.075 17839 5400 1 17 . 1 1 51 51 THR H H 51 7.426 7.426 7.657 -0.231 17839 5401 1 17 . 1 1 52 52 PHE N N 52 120.966 120.966 118.921 2.045 17839 5402 1 17 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.174 0.334 17839 5403 1 17 . 1 1 52 52 PHE C C 52 176.816 176.816 175.557 1.259 17839 5404 1 17 . 1 1 52 52 PHE CA C 52 56.960 56.960 59.259 -2.299 17839 5405 1 17 . 1 1 52 52 PHE CB C 52 37.524 37.524 37.358 0.166 17839 5406 1 17 . 1 1 52 52 PHE H H 52 7.446 7.446 8.113 -0.667 17839 5407 1 17 . 1 1 53 53 THR N N 53 114.357 114.357 112.110 2.247 17839 5408 1 17 . 1 1 53 53 THR HA H 53 4.223 4.223 4.043 0.180 17839 5409 1 17 . 1 1 53 53 THR C C 53 180.987 180.987 174.019 6.968 17839 5410 1 17 . 1 1 53 53 THR CA C 53 58.214 58.214 63.534 -5.320 17839 5411 1 17 . 1 1 53 53 THR CB C 53 70.157 70.157 69.535 0.622 17839 5412 1 17 . 1 1 53 53 THR H H 53 7.953 7.953 7.792 0.161 17839 5413 1 17 . 1 1 54 54 VAL N N 54 122.097 122.097 118.136 3.961 17839 5414 1 17 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.293 -0.191 17839 5415 1 17 . 1 1 54 54 VAL C C 54 179.509 179.509 175.964 3.545 17839 5416 1 17 . 1 1 54 54 VAL CA C 54 62.553 62.553 63.542 -0.989 17839 5417 1 17 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.894 -0.172 17839 5418 1 17 . 1 1 54 54 VAL H H 54 8.045 8.045 8.379 -0.334 17839 5419 1 17 . 1 1 55 55 THR N N 55 118.590 118.590 117.098 1.492 17839 5420 1 17 . 1 1 55 55 THR HA H 55 4.235 4.235 4.644 -0.409 17839 5421 1 17 . 1 1 55 55 THR CA C 55 61.732 61.732 62.016 -0.284 17839 5422 1 17 . 1 1 55 55 THR CB C 55 69.869 69.869 70.007 -0.138 17839 5423 1 17 . 1 1 55 55 THR H H 55 8.209 8.209 8.099 0.110 17839 5424 1 18 . 1 1 2 2 THR N N 2 128.640 128.640 115.874 12.766 17839 5425 1 18 . 1 1 2 2 THR HA H 2 4.125 4.125 4.234 -0.109 17839 5426 1 18 . 1 1 2 2 THR C C 2 173.743 173.743 173.249 0.494 17839 5427 1 18 . 1 1 2 2 THR CA C 2 61.651 61.651 62.687 -1.036 17839 5428 1 18 . 1 1 2 2 THR CB C 2 69.626 69.626 68.526 1.100 17839 5429 1 18 . 1 1 2 2 THR H H 2 7.994 7.994 8.235 -0.241 17839 5430 1 18 . 1 1 3 3 TYR N N 3 124.112 124.112 122.817 1.295 17839 5431 1 18 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.548 -0.365 17839 5432 1 18 . 1 1 3 3 TYR C C 3 175.675 175.675 175.557 0.118 17839 5433 1 18 . 1 1 3 3 TYR CA C 3 58.300 58.300 58.474 -0.174 17839 5434 1 18 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.808 -1.290 17839 5435 1 18 . 1 1 3 3 TYR H H 3 8.325 8.325 8.110 0.215 17839 5436 1 18 . 1 1 4 4 LYS N N 4 122.769 122.769 122.642 0.127 17839 5437 1 18 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.473 -0.590 17839 5438 1 18 . 1 1 4 4 LYS C C 4 175.923 175.923 177.329 -1.406 17839 5439 1 18 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.759 -0.336 17839 5440 1 18 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.379 0.388 17839 5441 1 18 . 1 1 4 4 LYS H H 4 8.027 8.027 8.315 -0.288 17839 5442 1 18 . 1 1 5 5 LEU N N 5 122.314 122.314 124.716 -2.402 17839 5443 1 18 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.226 -0.166 17839 5444 1 18 . 1 1 5 5 LEU C C 5 177.167 177.167 178.260 -1.093 17839 5445 1 18 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.850 -0.561 17839 5446 1 18 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.057 -0.042 17839 5447 1 18 . 1 1 5 5 LEU H H 5 7.919 7.919 8.632 -0.713 17839 5448 1 18 . 1 1 6 6 ILE N N 6 122.789 122.789 120.558 2.231 17839 5449 1 18 . 1 1 6 6 ILE HA H 6 3.865 3.865 3.988 -0.123 17839 5450 1 18 . 1 1 6 6 ILE C C 6 176.231 176.231 175.004 1.227 17839 5451 1 18 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.694 -0.304 17839 5452 1 18 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.557 -0.698 17839 5453 1 18 . 1 1 6 6 ILE H H 6 7.998 7.998 7.641 0.357 17839 5454 1 18 . 1 1 7 7 LEU N N 7 125.831 125.831 126.723 -0.892 17839 5455 1 18 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.653 -0.473 17839 5456 1 18 . 1 1 7 7 LEU C C 7 177.079 177.079 175.645 1.434 17839 5457 1 18 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.149 0.907 17839 5458 1 18 . 1 1 7 7 LEU CB C 7 42.718 42.718 41.191 1.528 17839 5459 1 18 . 1 1 7 7 LEU H H 7 8.099 8.099 8.179 -0.080 17839 5460 1 18 . 1 1 8 8 ASN N N 8 118.052 118.052 115.105 2.947 17839 5461 1 18 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.424 0.050 17839 5462 1 18 . 1 1 8 8 ASN C C 8 175.250 175.250 176.025 -0.775 17839 5463 1 18 . 1 1 8 8 ASN CA C 8 52.483 52.483 53.995 -1.512 17839 5464 1 18 . 1 1 8 8 ASN CB C 8 38.877 38.877 39.310 -0.433 17839 5465 1 18 . 1 1 8 8 ASN H H 8 8.058 8.058 7.916 0.142 17839 5466 1 18 . 1 1 9 9 LEU N N 9 121.908 121.908 117.736 4.172 17839 5467 1 18 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.428 -0.776 17839 5468 1 18 . 1 1 9 9 LEU C C 9 177.065 177.065 177.549 -0.484 17839 5469 1 18 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.452 1.072 17839 5470 1 18 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.173 -0.223 17839 5471 1 18 . 1 1 9 9 LEU H H 9 8.251 8.251 8.338 -0.087 17839 5472 1 18 . 1 1 10 10 LYS N N 10 118.870 118.870 119.441 -0.571 17839 5473 1 18 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.834 -0.174 17839 5474 1 18 . 1 1 10 10 LYS C C 10 178.689 178.689 178.409 0.280 17839 5475 1 18 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.088 -0.288 17839 5476 1 18 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.346 0.923 17839 5477 1 18 . 1 1 10 10 LYS H H 10 7.940 7.940 8.567 -0.627 17839 5478 1 18 . 1 1 11 11 GLN N N 11 117.959 117.959 117.404 0.555 17839 5479 1 18 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.004 -0.107 17839 5480 1 18 . 1 1 11 11 GLN C C 11 179.084 179.084 178.004 1.080 17839 5481 1 18 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.629 0.556 17839 5482 1 18 . 1 1 11 11 GLN CB C 11 29.471 29.471 27.885 1.586 17839 5483 1 18 . 1 1 11 11 GLN H H 11 7.549 7.549 8.040 -0.491 17839 5484 1 18 . 1 1 12 12 ALA N N 12 122.975 122.975 121.965 1.010 17839 5485 1 18 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.811 0.092 17839 5486 1 18 . 1 1 12 12 ALA C C 12 179.596 179.596 178.801 0.795 17839 5487 1 18 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.007 1.416 17839 5488 1 18 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.169 0.047 17839 5489 1 18 . 1 1 12 12 ALA H H 12 8.363 8.363 8.425 -0.062 17839 5490 1 18 . 1 1 13 13 LYS N N 13 116.930 116.930 119.851 -2.921 17839 5491 1 18 . 1 1 13 13 LYS HA H 13 3.337 3.337 3.973 -0.636 17839 5492 1 18 . 1 1 13 13 LYS C C 13 177.621 177.621 178.101 -0.480 17839 5493 1 18 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.315 1.372 17839 5494 1 18 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.766 1.117 17839 5495 1 18 . 1 1 13 13 LYS H H 13 8.097 8.097 7.505 0.592 17839 5496 1 18 . 1 1 14 14 GLU N N 14 116.977 116.977 119.598 -2.621 17839 5497 1 18 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.058 -0.344 17839 5498 1 18 . 1 1 14 14 GLU C C 14 180.065 180.065 178.411 1.654 17839 5499 1 18 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.241 0.343 17839 5500 1 18 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.385 -0.196 17839 5501 1 18 . 1 1 14 14 GLU H H 14 7.582 7.582 7.836 -0.254 17839 5502 1 18 . 1 1 15 15 GLU N N 15 119.464 119.464 120.523 -1.059 17839 5503 1 18 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.772 0.137 17839 5504 1 18 . 1 1 15 15 GLU C C 15 178.367 178.367 178.767 -0.400 17839 5505 1 18 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.538 -0.938 17839 5506 1 18 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.444 0.591 17839 5507 1 18 . 1 1 15 15 GLU H H 15 8.313 8.313 7.459 0.854 17839 5508 1 18 . 1 1 16 16 ALA N N 16 122.073 122.073 120.930 1.143 17839 5509 1 18 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.053 -0.275 17839 5510 1 18 . 1 1 16 16 ALA C C 16 179.245 179.245 179.306 -0.061 17839 5511 1 18 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.182 0.150 17839 5512 1 18 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.681 0.075 17839 5513 1 18 . 1 1 16 16 ALA H H 16 8.427 8.427 7.466 0.961 17839 5514 1 18 . 1 1 17 17 ILE N N 17 117.151 117.151 119.596 -2.445 17839 5515 1 18 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.543 -0.444 17839 5516 1 18 . 1 1 17 17 ILE C C 17 177.196 177.196 177.999 -0.803 17839 5517 1 18 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.475 -0.406 17839 5518 1 18 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.564 -0.930 17839 5519 1 18 . 1 1 17 17 ILE H H 17 8.177 8.177 7.713 0.464 17839 5520 1 18 . 1 1 18 18 LYS N N 18 119.317 119.317 119.904 -0.587 17839 5521 1 18 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.871 -0.202 17839 5522 1 18 . 1 1 18 18 LYS C C 18 178.279 178.279 178.853 -0.574 17839 5523 1 18 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.678 0.297 17839 5524 1 18 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.288 -0.273 17839 5525 1 18 . 1 1 18 18 LYS H H 18 7.525 7.525 8.531 -1.006 17839 5526 1 18 . 1 1 19 19 GLU N N 19 119.267 119.267 119.187 0.080 17839 5527 1 18 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.057 -0.132 17839 5528 1 18 . 1 1 19 19 GLU C C 19 178.104 178.104 179.370 -1.266 17839 5529 1 18 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.117 -0.213 17839 5530 1 18 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.517 -0.986 17839 5531 1 18 . 1 1 19 19 GLU H H 19 8.226 8.226 7.638 0.588 17839 5532 1 18 . 1 1 20 20 LEU N N 20 120.447 120.447 120.256 0.191 17839 5533 1 18 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.217 -0.294 17839 5534 1 18 . 1 1 20 20 LEU C C 20 179.991 179.991 179.517 0.474 17839 5535 1 18 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.206 -0.104 17839 5536 1 18 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.306 -1.482 17839 5537 1 18 . 1 1 20 20 LEU H H 20 8.018 8.018 8.687 -0.669 17839 5538 1 18 . 1 1 21 21 VAL N N 21 124.479 124.479 119.025 5.454 17839 5539 1 18 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.818 -0.000 17839 5540 1 18 . 1 1 21 21 VAL C C 21 177.431 177.431 177.677 -0.246 17839 5541 1 18 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.194 1.185 17839 5542 1 18 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.464 0.523 17839 5543 1 18 . 1 1 21 21 VAL H H 21 9.048 9.048 8.211 0.837 17839 5544 1 18 . 1 1 22 22 ASP N N 22 121.941 121.941 118.735 3.206 17839 5545 1 18 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.547 -0.603 17839 5546 1 18 . 1 1 22 22 ASP C C 22 179.713 179.713 175.803 3.910 17839 5547 1 18 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.511 1.605 17839 5548 1 18 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.536 -2.036 17839 5549 1 18 . 1 1 22 22 ASP H H 22 8.077 8.077 7.813 0.264 17839 5550 1 18 . 1 1 23 23 ALA N N 23 116.831 116.831 120.154 -3.323 17839 5551 1 18 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.590 -0.410 17839 5552 1 18 . 1 1 23 23 ALA C C 23 177.855 177.855 176.265 1.590 17839 5553 1 18 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.031 1.270 17839 5554 1 18 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.680 -2.690 17839 5555 1 18 . 1 1 23 23 ALA H H 23 6.897 6.897 7.139 -0.242 17839 5556 1 18 . 1 1 24 24 GLY N N 24 107.830 107.830 108.377 -0.547 17839 5557 1 18 . 1 1 24 24 GLY C C 24 174.665 174.665 173.908 0.757 17839 5558 1 18 . 1 1 24 24 GLY CA C 24 45.811 45.811 46.146 -0.335 17839 5559 1 18 . 1 1 24 24 GLY H H 24 8.002 8.002 8.562 -0.560 17839 5560 1 18 . 1 1 25 25 THR N N 25 117.914 117.914 117.010 0.904 17839 5561 1 18 . 1 1 25 25 THR HA H 25 3.818 3.818 4.808 -0.990 17839 5562 1 18 . 1 1 25 25 THR C C 25 173.187 173.187 172.850 0.337 17839 5563 1 18 . 1 1 25 25 THR CA C 25 64.001 64.001 60.622 3.379 17839 5564 1 18 . 1 1 25 25 THR CB C 25 69.674 69.674 70.610 -0.936 17839 5565 1 18 . 1 1 25 25 THR H H 25 7.784 7.784 8.191 -0.407 17839 5566 1 18 . 1 1 26 26 ALA N N 26 128.480 128.480 124.273 4.207 17839 5567 1 18 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.630 -0.633 17839 5568 1 18 . 1 1 26 26 ALA C C 26 177.884 177.884 177.559 0.325 17839 5569 1 18 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.937 2.172 17839 5570 1 18 . 1 1 26 26 ALA CB C 26 18.868 18.868 19.345 -0.476 17839 5571 1 18 . 1 1 26 26 ALA H H 26 8.749 8.749 8.746 0.003 17839 5572 1 18 . 1 1 27 27 GLU N N 27 120.909 120.909 126.018 -5.109 17839 5573 1 18 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.339 -1.100 17839 5574 1 18 . 1 1 27 27 GLU C C 27 178.631 178.631 176.469 2.162 17839 5575 1 18 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.118 -1.280 17839 5576 1 18 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.289 0.629 17839 5577 1 18 . 1 1 27 27 GLU H H 27 8.150 8.150 8.970 -0.820 17839 5578 1 18 . 1 1 28 28 LYS N N 28 117.447 117.447 117.370 0.077 17839 5579 1 18 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.751 0.038 17839 5580 1 18 . 1 1 28 28 LYS C C 28 177.211 177.211 178.968 -1.757 17839 5581 1 18 . 1 1 28 28 LYS CA C 28 58.090 58.090 57.943 0.147 17839 5582 1 18 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.887 0.109 17839 5583 1 18 . 1 1 28 28 LYS H H 28 7.989 7.989 8.006 -0.017 17839 5584 1 18 . 1 1 29 29 TYR N N 29 116.462 116.462 118.632 -2.170 17839 5585 1 18 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.151 0.236 17839 5586 1 18 . 1 1 29 29 TYR C C 29 177.313 177.313 177.852 -0.539 17839 5587 1 18 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.314 -0.956 17839 5588 1 18 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.220 1.236 17839 5589 1 18 . 1 1 29 29 TYR H H 29 7.273 7.273 7.891 -0.618 17839 5590 1 18 . 1 1 30 30 PHE N N 30 119.334 119.334 116.643 2.691 17839 5591 1 18 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.323 -0.243 17839 5592 1 18 . 1 1 30 30 PHE C C 30 178.762 178.762 177.196 1.566 17839 5593 1 18 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.662 -0.090 17839 5594 1 18 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.681 4.440 17839 5595 1 18 . 1 1 30 30 PHE H H 30 7.991 7.991 7.433 0.558 17839 5596 1 18 . 1 1 31 31 LYS N N 31 118.612 118.612 118.940 -0.328 17839 5597 1 18 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.341 -0.437 17839 5598 1 18 . 1 1 31 31 LYS C C 31 177.694 177.694 178.024 -0.330 17839 5599 1 18 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.615 0.005 17839 5600 1 18 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.326 -0.774 17839 5601 1 18 . 1 1 31 31 LYS H H 31 7.916 7.916 7.333 0.583 17839 5602 1 18 . 1 1 32 32 LEU N N 32 117.737 117.737 118.971 -1.234 17839 5603 1 18 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.210 -0.445 17839 5604 1 18 . 1 1 32 32 LEU C C 32 177.021 177.021 178.398 -1.377 17839 5605 1 18 . 1 1 32 32 LEU CA C 32 57.341 57.341 56.953 0.388 17839 5606 1 18 . 1 1 32 32 LEU CB C 32 41.417 41.417 43.052 -1.635 17839 5607 1 18 . 1 1 32 32 LEU H H 32 7.316 7.316 7.471 -0.155 17839 5608 1 18 . 1 1 33 33 ILE N N 33 119.064 119.064 115.165 3.899 17839 5609 1 18 . 1 1 33 33 ILE HA H 33 3.652 3.652 4.097 -0.445 17839 5610 1 18 . 1 1 33 33 ILE C C 33 177.489 177.489 177.795 -0.306 17839 5611 1 18 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.629 -1.844 17839 5612 1 18 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.682 -1.980 17839 5613 1 18 . 1 1 33 33 ILE H H 33 7.620 7.620 8.048 -0.428 17839 5614 1 18 . 1 1 34 34 ALA N N 34 119.319 119.319 123.037 -3.718 17839 5615 1 18 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.021 -0.241 17839 5616 1 18 . 1 1 34 34 ALA C C 34 179.128 179.128 178.252 0.876 17839 5617 1 18 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.780 0.072 17839 5618 1 18 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.628 -0.378 17839 5619 1 18 . 1 1 34 34 ALA H H 34 7.594 7.594 7.854 -0.260 17839 5620 1 18 . 1 1 35 35 ASN N N 35 112.212 112.212 113.824 -1.612 17839 5621 1 18 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.636 -0.143 17839 5622 1 18 . 1 1 35 35 ASN C C 35 175.265 175.265 175.592 -0.327 17839 5623 1 18 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.339 -0.743 17839 5624 1 18 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.002 0.905 17839 5625 1 18 . 1 1 35 35 ASN H H 35 7.264 7.264 7.992 -0.728 17839 5626 1 18 . 1 1 36 36 ALA N N 36 124.435 124.435 124.560 -0.125 17839 5627 1 18 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.195 -0.186 17839 5628 1 18 . 1 1 36 36 ALA C C 36 177.826 177.826 177.757 0.069 17839 5629 1 18 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.719 0.418 17839 5630 1 18 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.239 0.278 17839 5631 1 18 . 1 1 36 36 ALA H H 36 7.270 7.270 7.622 -0.352 17839 5632 1 18 . 1 1 37 37 LYS N N 37 116.671 116.671 122.843 -6.172 17839 5633 1 18 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.056 0.117 17839 5634 1 18 . 1 1 37 37 LYS C C 37 176.772 176.772 176.245 0.527 17839 5635 1 18 . 1 1 37 37 LYS CA C 37 56.537 56.537 58.209 -1.672 17839 5636 1 18 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.629 2.270 17839 5637 1 18 . 1 1 37 37 LYS H H 37 8.682 8.682 8.499 0.183 17839 5638 1 18 . 1 1 38 38 THR N N 38 106.220 106.220 109.700 -3.480 17839 5639 1 18 . 1 1 38 38 THR HA H 38 4.541 4.541 4.487 0.054 17839 5640 1 18 . 1 1 38 38 THR C C 38 173.816 173.816 175.730 -1.914 17839 5641 1 18 . 1 1 38 38 THR CA C 38 58.209 58.209 60.305 -2.096 17839 5642 1 18 . 1 1 38 38 THR CB C 38 72.726 72.726 70.453 2.273 17839 5643 1 18 . 1 1 38 38 THR H H 38 7.232 7.232 7.538 -0.306 17839 5644 1 18 . 1 1 39 39 VAL N N 39 122.896 122.896 121.632 1.264 17839 5645 1 18 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.992 -1.114 17839 5646 1 18 . 1 1 39 39 VAL C C 39 176.655 176.655 177.619 -0.964 17839 5647 1 18 . 1 1 39 39 VAL CA C 39 67.118 67.118 64.993 2.124 17839 5648 1 18 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.447 -0.187 17839 5649 1 18 . 1 1 39 39 VAL H H 39 8.835 8.835 8.681 0.154 17839 5650 1 18 . 1 1 40 40 GLU N N 40 117.945 117.945 120.575 -2.630 17839 5651 1 18 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.157 -0.375 17839 5652 1 18 . 1 1 40 40 GLU C C 40 179.362 179.362 178.998 0.364 17839 5653 1 18 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.714 0.210 17839 5654 1 18 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.936 -0.680 17839 5655 1 18 . 1 1 40 40 GLU H H 40 8.735 8.735 9.008 -0.273 17839 5656 1 18 . 1 1 41 41 GLY N N 41 108.576 108.576 107.081 1.495 17839 5657 1 18 . 1 1 41 41 GLY C C 41 176.275 176.275 176.180 0.095 17839 5658 1 18 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.652 -0.347 17839 5659 1 18 . 1 1 41 41 GLY H H 41 8.019 8.019 7.843 0.176 17839 5660 1 18 . 1 1 42 42 VAL N N 42 122.823 122.823 122.557 0.266 17839 5661 1 18 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.884 -0.141 17839 5662 1 18 . 1 1 42 42 VAL C C 42 177.211 177.211 177.829 -0.618 17839 5663 1 18 . 1 1 42 42 VAL CA C 42 67.317 67.317 65.415 1.902 17839 5664 1 18 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.371 -1.138 17839 5665 1 18 . 1 1 42 42 VAL H H 42 7.705 7.705 7.649 0.056 17839 5666 1 18 . 1 1 43 43 TRP N N 43 119.439 119.439 119.180 0.259 17839 5667 1 18 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.378 -0.066 17839 5668 1 18 . 1 1 43 43 TRP C C 43 178.879 178.879 178.702 0.177 17839 5669 1 18 . 1 1 43 43 TRP CA C 43 59.233 59.233 62.032 -2.799 17839 5670 1 18 . 1 1 43 43 TRP CB C 43 28.803 28.803 28.934 -0.131 17839 5671 1 18 . 1 1 43 43 TRP H H 43 7.497 7.497 8.378 -0.881 17839 5672 1 18 . 1 1 44 44 THR N N 44 115.130 115.130 114.738 0.392 17839 5673 1 18 . 1 1 44 44 THR HA H 44 3.877 3.877 3.996 -0.119 17839 5674 1 18 . 1 1 44 44 THR C C 44 177.299 177.299 176.645 0.654 17839 5675 1 18 . 1 1 44 44 THR CA C 44 66.178 66.178 65.813 0.365 17839 5676 1 18 . 1 1 44 44 THR CB C 44 68.938 68.938 68.464 0.474 17839 5677 1 18 . 1 1 44 44 THR H H 44 8.278 8.278 7.652 0.626 17839 5678 1 18 . 1 1 45 45 LEU N N 45 123.159 123.159 121.593 1.566 17839 5679 1 18 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.007 -0.068 17839 5680 1 18 . 1 1 45 45 LEU C C 45 178.235 178.235 178.960 -0.725 17839 5681 1 18 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.399 0.248 17839 5682 1 18 . 1 1 45 45 LEU CB C 45 42.308 42.308 40.765 1.543 17839 5683 1 18 . 1 1 45 45 LEU H H 45 7.835 7.835 7.855 -0.020 17839 5684 1 18 . 1 1 46 46 LYS N N 46 119.348 119.348 119.876 -0.528 17839 5685 1 18 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.835 -0.315 17839 5686 1 18 . 1 1 46 46 LYS C C 46 177.518 177.518 178.386 -0.868 17839 5687 1 18 . 1 1 46 46 LYS CA C 46 60.558 60.558 60.033 0.525 17839 5688 1 18 . 1 1 46 46 LYS CB C 46 30.225 30.225 32.107 -1.882 17839 5689 1 18 . 1 1 46 46 LYS H H 46 8.521 8.521 7.726 0.795 17839 5690 1 18 . 1 1 47 47 ASP N N 47 117.390 117.390 118.778 -1.388 17839 5691 1 18 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.418 -0.682 17839 5692 1 18 . 1 1 47 47 ASP C C 47 178.689 178.689 178.452 0.237 17839 5693 1 18 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.473 -0.334 17839 5694 1 18 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.662 -0.866 17839 5695 1 18 . 1 1 47 47 ASP H H 47 7.450 7.450 7.899 -0.449 17839 5696 1 18 . 1 1 48 48 GLU N N 48 121.902 121.902 118.201 3.701 17839 5697 1 18 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.147 -0.387 17839 5698 1 18 . 1 1 48 48 GLU C C 48 179.201 179.201 178.817 0.384 17839 5699 1 18 . 1 1 48 48 GLU CA C 48 59.072 59.072 58.983 0.089 17839 5700 1 18 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.629 0.032 17839 5701 1 18 . 1 1 48 48 GLU H H 48 7.732 7.732 7.499 0.233 17839 5702 1 18 . 1 1 49 49 ILE N N 49 120.605 120.605 117.570 3.035 17839 5703 1 18 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.275 -0.695 17839 5704 1 18 . 1 1 49 49 ILE C C 49 178.704 178.704 177.752 0.952 17839 5705 1 18 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.788 1.213 17839 5706 1 18 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.247 0.716 17839 5707 1 18 . 1 1 49 49 ILE H H 49 8.551 8.551 7.785 0.766 17839 5708 1 18 . 1 1 50 50 LYS N N 50 119.061 119.061 117.287 1.774 17839 5709 1 18 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.227 -0.518 17839 5710 1 18 . 1 1 50 50 LYS C C 50 177.753 177.753 177.502 0.251 17839 5711 1 18 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.559 1.105 17839 5712 1 18 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.217 -1.064 17839 5713 1 18 . 1 1 50 50 LYS H H 50 7.567 7.567 7.536 0.031 17839 5714 1 18 . 1 1 51 51 THR N N 51 109.727 109.727 113.633 -3.906 17839 5715 1 18 . 1 1 51 51 THR HA H 51 4.148 4.148 4.280 -0.132 17839 5716 1 18 . 1 1 51 51 THR C C 51 175.440 175.440 175.880 -0.440 17839 5717 1 18 . 1 1 51 51 THR CA C 51 63.347 63.347 64.764 -1.417 17839 5718 1 18 . 1 1 51 51 THR CB C 51 69.707 69.707 69.158 0.549 17839 5719 1 18 . 1 1 51 51 THR H H 51 7.426 7.426 7.446 -0.020 17839 5720 1 18 . 1 1 52 52 PHE N N 52 120.966 120.966 119.476 1.490 17839 5721 1 18 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.657 -0.149 17839 5722 1 18 . 1 1 52 52 PHE C C 52 176.816 176.816 174.216 2.600 17839 5723 1 18 . 1 1 52 52 PHE CA C 52 56.960 56.960 57.801 -0.841 17839 5724 1 18 . 1 1 52 52 PHE CB C 52 37.524 37.524 39.563 -2.039 17839 5725 1 18 . 1 1 52 52 PHE H H 52 7.446 7.446 8.289 -0.843 17839 5726 1 18 . 1 1 53 53 THR N N 53 114.357 114.357 115.165 -0.808 17839 5727 1 18 . 1 1 53 53 THR HA H 53 4.223 4.223 4.218 0.005 17839 5728 1 18 . 1 1 53 53 THR C C 53 180.987 180.987 173.481 7.506 17839 5729 1 18 . 1 1 53 53 THR CA C 53 58.214 58.214 60.859 -2.645 17839 5730 1 18 . 1 1 53 53 THR CB C 53 70.157 70.157 70.039 0.118 17839 5731 1 18 . 1 1 53 53 THR H H 53 7.953 7.953 7.286 0.667 17839 5732 1 18 . 1 1 54 54 VAL N N 54 122.097 122.097 122.236 -0.139 17839 5733 1 18 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.329 -0.227 17839 5734 1 18 . 1 1 54 54 VAL C C 54 179.509 179.509 175.847 3.662 17839 5735 1 18 . 1 1 54 54 VAL CA C 54 62.553 62.553 63.041 -0.488 17839 5736 1 18 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.421 0.301 17839 5737 1 18 . 1 1 54 54 VAL H H 54 8.045 8.045 8.335 -0.290 17839 5738 1 18 . 1 1 55 55 THR N N 55 118.590 118.590 114.422 4.168 17839 5739 1 18 . 1 1 55 55 THR HA H 55 4.235 4.235 4.454 -0.219 17839 5740 1 18 . 1 1 55 55 THR CA C 55 61.732 61.732 62.685 -0.953 17839 5741 1 18 . 1 1 55 55 THR CB C 55 69.869 69.869 69.730 0.139 17839 5742 1 18 . 1 1 55 55 THR H H 55 8.209 8.209 8.188 0.021 17839 5743 1 19 . 1 1 2 2 THR N N 2 128.640 128.640 115.333 13.307 17839 5744 1 19 . 1 1 2 2 THR HA H 2 4.125 4.125 4.019 0.106 17839 5745 1 19 . 1 1 2 2 THR C C 2 173.743 173.743 173.611 0.132 17839 5746 1 19 . 1 1 2 2 THR CA C 2 61.651 61.651 63.067 -1.416 17839 5747 1 19 . 1 1 2 2 THR CB C 2 69.626 69.626 68.504 1.122 17839 5748 1 19 . 1 1 2 2 THR H H 2 7.994 7.994 8.354 -0.360 17839 5749 1 19 . 1 1 3 3 TYR N N 3 124.112 124.112 118.417 5.695 17839 5750 1 19 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.279 -0.097 17839 5751 1 19 . 1 1 3 3 TYR C C 3 175.675 175.675 175.217 0.458 17839 5752 1 19 . 1 1 3 3 TYR CA C 3 58.300 58.300 58.436 -0.136 17839 5753 1 19 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.888 -0.370 17839 5754 1 19 . 1 1 3 3 TYR H H 3 8.325 8.325 7.762 0.563 17839 5755 1 19 . 1 1 4 4 LYS N N 4 122.769 122.769 121.805 0.964 17839 5756 1 19 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.215 -0.332 17839 5757 1 19 . 1 1 4 4 LYS C C 4 175.923 175.923 176.248 -0.325 17839 5758 1 19 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.899 -0.476 17839 5759 1 19 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.900 -0.133 17839 5760 1 19 . 1 1 4 4 LYS H H 4 8.027 8.027 8.202 -0.175 17839 5761 1 19 . 1 1 5 5 LEU N N 5 122.314 122.314 124.586 -2.272 17839 5762 1 19 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.558 -0.498 17839 5763 1 19 . 1 1 5 5 LEU C C 5 177.167 177.167 177.556 -0.389 17839 5764 1 19 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.482 -0.193 17839 5765 1 19 . 1 1 5 5 LEU CB C 5 42.015 42.015 42.151 -0.136 17839 5766 1 19 . 1 1 5 5 LEU H H 5 7.919 7.919 8.154 -0.235 17839 5767 1 19 . 1 1 6 6 ILE N N 6 122.789 122.789 122.077 0.712 17839 5768 1 19 . 1 1 6 6 ILE HA H 6 3.865 3.865 3.962 -0.097 17839 5769 1 19 . 1 1 6 6 ILE C C 6 176.231 176.231 175.328 0.903 17839 5770 1 19 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.706 -0.316 17839 5771 1 19 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.642 -0.784 17839 5772 1 19 . 1 1 6 6 ILE H H 6 7.998 7.998 7.672 0.326 17839 5773 1 19 . 1 1 7 7 LEU N N 7 125.831 125.831 128.421 -2.590 17839 5774 1 19 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.813 -0.633 17839 5775 1 19 . 1 1 7 7 LEU C C 7 177.079 177.079 175.587 1.492 17839 5776 1 19 . 1 1 7 7 LEU CA C 7 55.056 55.056 53.848 1.208 17839 5777 1 19 . 1 1 7 7 LEU CB C 7 42.718 42.718 42.682 0.036 17839 5778 1 19 . 1 1 7 7 LEU H H 7 8.099 8.099 8.266 -0.167 17839 5779 1 19 . 1 1 8 8 ASN N N 8 118.052 118.052 118.705 -0.653 17839 5780 1 19 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.448 0.026 17839 5781 1 19 . 1 1 8 8 ASN C C 8 175.250 175.250 175.991 -0.741 17839 5782 1 19 . 1 1 8 8 ASN CA C 8 52.483 52.483 54.399 -1.916 17839 5783 1 19 . 1 1 8 8 ASN CB C 8 38.877 38.877 39.375 -0.498 17839 5784 1 19 . 1 1 8 8 ASN H H 8 8.058 8.058 8.548 -0.490 17839 5785 1 19 . 1 1 9 9 LEU N N 9 121.908 121.908 118.246 3.662 17839 5786 1 19 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.375 -0.723 17839 5787 1 19 . 1 1 9 9 LEU C C 9 177.065 177.065 178.000 -0.935 17839 5788 1 19 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.441 1.083 17839 5789 1 19 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.971 -0.021 17839 5790 1 19 . 1 1 9 9 LEU H H 9 8.251 8.251 8.331 -0.080 17839 5791 1 19 . 1 1 10 10 LYS N N 10 118.870 118.870 119.819 -0.949 17839 5792 1 19 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.888 -0.228 17839 5793 1 19 . 1 1 10 10 LYS C C 10 178.689 178.689 178.343 0.346 17839 5794 1 19 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.650 0.150 17839 5795 1 19 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.369 0.900 17839 5796 1 19 . 1 1 10 10 LYS H H 10 7.940 7.940 8.571 -0.631 17839 5797 1 19 . 1 1 11 11 GLN N N 11 117.959 117.959 117.516 0.443 17839 5798 1 19 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.206 -0.309 17839 5799 1 19 . 1 1 11 11 GLN C C 11 179.084 179.084 178.431 0.653 17839 5800 1 19 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.655 0.530 17839 5801 1 19 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.010 1.461 17839 5802 1 19 . 1 1 11 11 GLN H H 11 7.549 7.549 8.128 -0.579 17839 5803 1 19 . 1 1 12 12 ALA N N 12 122.975 122.975 121.692 1.283 17839 5804 1 19 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.790 0.113 17839 5805 1 19 . 1 1 12 12 ALA C C 12 179.596 179.596 178.681 0.915 17839 5806 1 19 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.289 1.134 17839 5807 1 19 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.192 0.024 17839 5808 1 19 . 1 1 12 12 ALA H H 12 8.363 8.363 8.339 0.024 17839 5809 1 19 . 1 1 13 13 LYS N N 13 116.930 116.930 119.163 -2.233 17839 5810 1 19 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.016 -0.679 17839 5811 1 19 . 1 1 13 13 LYS C C 13 177.621 177.621 178.472 -0.851 17839 5812 1 19 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.239 1.448 17839 5813 1 19 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.684 1.199 17839 5814 1 19 . 1 1 13 13 LYS H H 13 8.097 8.097 7.517 0.580 17839 5815 1 19 . 1 1 14 14 GLU N N 14 116.977 116.977 118.993 -2.016 17839 5816 1 19 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.064 -0.350 17839 5817 1 19 . 1 1 14 14 GLU C C 14 180.065 180.065 178.736 1.329 17839 5818 1 19 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.078 0.506 17839 5819 1 19 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.123 0.066 17839 5820 1 19 . 1 1 14 14 GLU H H 14 7.582 7.582 7.821 -0.239 17839 5821 1 19 . 1 1 15 15 GLU N N 15 119.464 119.464 120.606 -1.142 17839 5822 1 19 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.784 0.125 17839 5823 1 19 . 1 1 15 15 GLU C C 15 178.367 178.367 178.733 -0.366 17839 5824 1 19 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.447 -0.848 17839 5825 1 19 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.456 0.579 17839 5826 1 19 . 1 1 15 15 GLU H H 15 8.313 8.313 7.475 0.838 17839 5827 1 19 . 1 1 16 16 ALA N N 16 122.073 122.073 120.908 1.165 17839 5828 1 19 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.018 -0.240 17839 5829 1 19 . 1 1 16 16 ALA C C 16 179.245 179.245 179.243 0.002 17839 5830 1 19 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.168 0.164 17839 5831 1 19 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.616 0.140 17839 5832 1 19 . 1 1 16 16 ALA H H 16 8.427 8.427 7.482 0.945 17839 5833 1 19 . 1 1 17 17 ILE N N 17 117.151 117.151 120.065 -2.914 17839 5834 1 19 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.716 -0.617 17839 5835 1 19 . 1 1 17 17 ILE C C 17 177.196 177.196 178.163 -0.967 17839 5836 1 19 . 1 1 17 17 ILE CA C 17 65.069 65.069 64.287 0.782 17839 5837 1 19 . 1 1 17 17 ILE CB C 17 36.634 36.634 36.649 -0.015 17839 5838 1 19 . 1 1 17 17 ILE H H 17 8.177 8.177 7.641 0.536 17839 5839 1 19 . 1 1 18 18 LYS N N 18 119.317 119.317 119.874 -0.557 17839 5840 1 19 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.951 -0.282 17839 5841 1 19 . 1 1 18 18 LYS C C 18 178.279 178.279 179.377 -1.098 17839 5842 1 19 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.357 0.618 17839 5843 1 19 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.030 -0.015 17839 5844 1 19 . 1 1 18 18 LYS H H 18 7.525 7.525 8.613 -1.088 17839 5845 1 19 . 1 1 19 19 GLU N N 19 119.267 119.267 119.066 0.201 17839 5846 1 19 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.079 -0.154 17839 5847 1 19 . 1 1 19 19 GLU C C 19 178.104 178.104 179.263 -1.159 17839 5848 1 19 . 1 1 19 19 GLU CA C 19 58.905 58.905 58.898 0.007 17839 5849 1 19 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.541 -1.010 17839 5850 1 19 . 1 1 19 19 GLU H H 19 8.226 8.226 7.646 0.580 17839 5851 1 19 . 1 1 20 20 LEU N N 20 120.447 120.447 121.051 -0.604 17839 5852 1 19 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.146 -0.223 17839 5853 1 19 . 1 1 20 20 LEU C C 20 179.991 179.991 178.967 1.024 17839 5854 1 19 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.239 -0.137 17839 5855 1 19 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.164 -1.339 17839 5856 1 19 . 1 1 20 20 LEU H H 20 8.018 8.018 8.536 -0.518 17839 5857 1 19 . 1 1 21 21 VAL N N 21 124.479 124.479 118.093 6.386 17839 5858 1 19 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.722 0.096 17839 5859 1 19 . 1 1 21 21 VAL C C 21 177.431 177.431 177.706 -0.275 17839 5860 1 19 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.836 0.543 17839 5861 1 19 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.538 0.449 17839 5862 1 19 . 1 1 21 21 VAL H H 21 9.048 9.048 8.065 0.983 17839 5863 1 19 . 1 1 22 22 ASP N N 22 121.941 121.941 118.908 3.033 17839 5864 1 19 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.538 -0.594 17839 5865 1 19 . 1 1 22 22 ASP C C 22 179.713 179.713 175.929 3.784 17839 5866 1 19 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.673 1.443 17839 5867 1 19 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.693 -2.193 17839 5868 1 19 . 1 1 22 22 ASP H H 22 8.077 8.077 7.732 0.345 17839 5869 1 19 . 1 1 23 23 ALA N N 23 116.831 116.831 120.625 -3.794 17839 5870 1 19 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.613 -0.433 17839 5871 1 19 . 1 1 23 23 ALA C C 23 177.855 177.855 177.128 0.727 17839 5872 1 19 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.077 1.224 17839 5873 1 19 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.483 -2.493 17839 5874 1 19 . 1 1 23 23 ALA H H 23 6.897 6.897 7.182 -0.285 17839 5875 1 19 . 1 1 24 24 GLY N N 24 107.830 107.830 109.731 -1.901 17839 5876 1 19 . 1 1 24 24 GLY C C 24 174.665 174.665 174.543 0.122 17839 5877 1 19 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.334 0.478 17839 5878 1 19 . 1 1 24 24 GLY H H 24 8.002 8.002 8.736 -0.734 17839 5879 1 19 . 1 1 25 25 THR N N 25 117.914 117.914 115.853 2.061 17839 5880 1 19 . 1 1 25 25 THR HA H 25 3.818 3.818 4.723 -0.905 17839 5881 1 19 . 1 1 25 25 THR C C 25 173.187 173.187 173.683 -0.496 17839 5882 1 19 . 1 1 25 25 THR CA C 25 64.001 64.001 60.407 3.594 17839 5883 1 19 . 1 1 25 25 THR CB C 25 69.674 69.674 71.263 -1.589 17839 5884 1 19 . 1 1 25 25 THR H H 25 7.784 7.784 8.301 -0.517 17839 5885 1 19 . 1 1 26 26 ALA N N 26 128.480 128.480 122.370 6.110 17839 5886 1 19 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.744 -0.747 17839 5887 1 19 . 1 1 26 26 ALA C C 26 177.884 177.884 177.978 -0.094 17839 5888 1 19 . 1 1 26 26 ALA CA C 26 53.109 53.109 50.814 2.295 17839 5889 1 19 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.311 -1.443 17839 5890 1 19 . 1 1 26 26 ALA H H 26 8.749 8.749 8.857 -0.108 17839 5891 1 19 . 1 1 27 27 GLU N N 27 120.909 120.909 124.550 -3.641 17839 5892 1 19 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.772 -1.533 17839 5893 1 19 . 1 1 27 27 GLU C C 27 178.631 178.631 176.972 1.659 17839 5894 1 19 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.165 -1.327 17839 5895 1 19 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.685 0.233 17839 5896 1 19 . 1 1 27 27 GLU H H 27 8.150 8.150 8.902 -0.752 17839 5897 1 19 . 1 1 28 28 LYS N N 28 117.447 117.447 117.818 -0.371 17839 5898 1 19 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.686 0.103 17839 5899 1 19 . 1 1 28 28 LYS C C 28 177.211 177.211 178.550 -1.339 17839 5900 1 19 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.269 -0.179 17839 5901 1 19 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.898 0.098 17839 5902 1 19 . 1 1 28 28 LYS H H 28 7.989 7.989 8.200 -0.211 17839 5903 1 19 . 1 1 29 29 TYR N N 29 116.462 116.462 118.294 -1.832 17839 5904 1 19 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.083 0.304 17839 5905 1 19 . 1 1 29 29 TYR C C 29 177.313 177.313 178.076 -0.763 17839 5906 1 19 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.936 -1.578 17839 5907 1 19 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.370 1.086 17839 5908 1 19 . 1 1 29 29 TYR H H 29 7.273 7.273 7.223 0.050 17839 5909 1 19 . 1 1 30 30 PHE N N 30 119.334 119.334 116.678 2.656 17839 5910 1 19 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.313 -0.233 17839 5911 1 19 . 1 1 30 30 PHE C C 30 178.762 178.762 177.408 1.354 17839 5912 1 19 . 1 1 30 30 PHE CA C 30 58.572 58.572 59.098 -0.526 17839 5913 1 19 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.651 4.470 17839 5914 1 19 . 1 1 30 30 PHE H H 30 7.991 7.991 7.723 0.268 17839 5915 1 19 . 1 1 31 31 LYS N N 31 118.612 118.612 120.530 -1.918 17839 5916 1 19 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.333 -0.429 17839 5917 1 19 . 1 1 31 31 LYS C C 31 177.694 177.694 179.027 -1.333 17839 5918 1 19 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.000 -0.380 17839 5919 1 19 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.572 -1.020 17839 5920 1 19 . 1 1 31 31 LYS H H 31 7.916 7.916 7.047 0.869 17839 5921 1 19 . 1 1 32 32 LEU N N 32 117.737 117.737 120.036 -2.299 17839 5922 1 19 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.107 -0.342 17839 5923 1 19 . 1 1 32 32 LEU C C 32 177.021 177.021 178.683 -1.662 17839 5924 1 19 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.636 -0.295 17839 5925 1 19 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.620 -1.203 17839 5926 1 19 . 1 1 32 32 LEU H H 32 7.316 7.316 8.136 -0.820 17839 5927 1 19 . 1 1 33 33 ILE N N 33 119.064 119.064 115.000 4.064 17839 5928 1 19 . 1 1 33 33 ILE HA H 33 3.652 3.652 4.002 -0.350 17839 5929 1 19 . 1 1 33 33 ILE C C 33 177.489 177.489 177.860 -0.371 17839 5930 1 19 . 1 1 33 33 ILE CA C 33 61.785 61.785 63.761 -1.976 17839 5931 1 19 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.474 -1.772 17839 5932 1 19 . 1 1 33 33 ILE H H 33 7.620 7.620 8.415 -0.795 17839 5933 1 19 . 1 1 34 34 ALA N N 34 119.319 119.319 121.764 -2.445 17839 5934 1 19 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.000 -0.220 17839 5935 1 19 . 1 1 34 34 ALA C C 34 179.128 179.128 178.656 0.472 17839 5936 1 19 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.845 0.007 17839 5937 1 19 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.183 0.067 17839 5938 1 19 . 1 1 34 34 ALA H H 34 7.594 7.594 7.843 -0.249 17839 5939 1 19 . 1 1 35 35 ASN N N 35 112.212 112.212 116.030 -3.818 17839 5940 1 19 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.636 -0.143 17839 5941 1 19 . 1 1 35 35 ASN C C 35 175.265 175.265 175.130 0.135 17839 5942 1 19 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.354 -0.758 17839 5943 1 19 . 1 1 35 35 ASN CB C 35 38.907 38.907 38.958 -0.051 17839 5944 1 19 . 1 1 35 35 ASN H H 35 7.264 7.264 7.917 -0.653 17839 5945 1 19 . 1 1 36 36 ALA N N 36 124.435 124.435 123.260 1.175 17839 5946 1 19 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.310 -0.301 17839 5947 1 19 . 1 1 36 36 ALA C C 36 177.826 177.826 177.449 0.377 17839 5948 1 19 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.705 0.432 17839 5949 1 19 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.690 -0.173 17839 5950 1 19 . 1 1 36 36 ALA H H 36 7.270 7.270 7.545 -0.275 17839 5951 1 19 . 1 1 37 37 LYS N N 37 116.671 116.671 121.524 -4.853 17839 5952 1 19 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.178 -0.005 17839 5953 1 19 . 1 1 37 37 LYS C C 37 176.772 176.772 176.271 0.501 17839 5954 1 19 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.205 -0.668 17839 5955 1 19 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.125 2.774 17839 5956 1 19 . 1 1 37 37 LYS H H 37 8.682 8.682 8.349 0.333 17839 5957 1 19 . 1 1 38 38 THR N N 38 106.220 106.220 110.386 -4.166 17839 5958 1 19 . 1 1 38 38 THR HA H 38 4.541 4.541 4.626 -0.085 17839 5959 1 19 . 1 1 38 38 THR C C 38 173.816 173.816 175.190 -1.374 17839 5960 1 19 . 1 1 38 38 THR CA C 38 58.209 58.209 60.177 -1.968 17839 5961 1 19 . 1 1 38 38 THR CB C 38 72.726 72.726 72.160 0.566 17839 5962 1 19 . 1 1 38 38 THR H H 38 7.232 7.232 7.381 -0.149 17839 5963 1 19 . 1 1 39 39 VAL N N 39 122.896 122.896 122.038 0.858 17839 5964 1 19 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.961 -1.083 17839 5965 1 19 . 1 1 39 39 VAL C C 39 176.655 176.655 177.618 -0.963 17839 5966 1 19 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.092 2.026 17839 5967 1 19 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.052 0.208 17839 5968 1 19 . 1 1 39 39 VAL H H 39 8.835 8.835 8.837 -0.002 17839 5969 1 19 . 1 1 40 40 GLU N N 40 117.945 117.945 119.659 -1.714 17839 5970 1 19 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.156 -0.374 17839 5971 1 19 . 1 1 40 40 GLU C C 40 179.362 179.362 179.181 0.181 17839 5972 1 19 . 1 1 40 40 GLU CA C 40 59.924 59.924 60.232 -0.308 17839 5973 1 19 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.730 -0.474 17839 5974 1 19 . 1 1 40 40 GLU H H 40 8.735 8.735 9.087 -0.352 17839 5975 1 19 . 1 1 41 41 GLY N N 41 108.576 108.576 107.321 1.255 17839 5976 1 19 . 1 1 41 41 GLY C C 41 176.275 176.275 175.960 0.315 17839 5977 1 19 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.836 -0.531 17839 5978 1 19 . 1 1 41 41 GLY H H 41 8.019 8.019 7.576 0.443 17839 5979 1 19 . 1 1 42 42 VAL N N 42 122.823 122.823 122.611 0.212 17839 5980 1 19 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.847 -0.104 17839 5981 1 19 . 1 1 42 42 VAL C C 42 177.211 177.211 178.014 -0.803 17839 5982 1 19 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.620 0.697 17839 5983 1 19 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.634 -1.401 17839 5984 1 19 . 1 1 42 42 VAL H H 42 7.705 7.705 7.542 0.163 17839 5985 1 19 . 1 1 43 43 TRP N N 43 119.439 119.439 118.960 0.479 17839 5986 1 19 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.402 -0.090 17839 5987 1 19 . 1 1 43 43 TRP C C 43 178.879 178.879 178.746 0.133 17839 5988 1 19 . 1 1 43 43 TRP CA C 43 59.233 59.233 62.080 -2.847 17839 5989 1 19 . 1 1 43 43 TRP CB C 43 28.803 28.803 28.903 -0.100 17839 5990 1 19 . 1 1 43 43 TRP H H 43 7.497 7.497 8.791 -1.294 17839 5991 1 19 . 1 1 44 44 THR N N 44 115.130 115.130 114.897 0.233 17839 5992 1 19 . 1 1 44 44 THR HA H 44 3.877 3.877 3.980 -0.103 17839 5993 1 19 . 1 1 44 44 THR C C 44 177.299 177.299 176.898 0.401 17839 5994 1 19 . 1 1 44 44 THR CA C 44 66.178 66.178 66.257 -0.079 17839 5995 1 19 . 1 1 44 44 THR CB C 44 68.938 68.938 68.484 0.454 17839 5996 1 19 . 1 1 44 44 THR H H 44 8.278 8.278 7.734 0.544 17839 5997 1 19 . 1 1 45 45 LEU N N 45 123.159 123.159 121.375 1.784 17839 5998 1 19 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.018 -0.079 17839 5999 1 19 . 1 1 45 45 LEU C C 45 178.235 178.235 178.807 -0.572 17839 6000 1 19 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.397 0.250 17839 6001 1 19 . 1 1 45 45 LEU CB C 45 42.308 42.308 40.694 1.614 17839 6002 1 19 . 1 1 45 45 LEU H H 45 7.835 7.835 7.791 0.044 17839 6003 1 19 . 1 1 46 46 LYS N N 46 119.348 119.348 120.223 -0.875 17839 6004 1 19 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.893 -0.373 17839 6005 1 19 . 1 1 46 46 LYS C C 46 177.518 177.518 178.864 -1.346 17839 6006 1 19 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.690 0.868 17839 6007 1 19 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.915 -1.690 17839 6008 1 19 . 1 1 46 46 LYS H H 46 8.521 8.521 7.960 0.561 17839 6009 1 19 . 1 1 47 47 ASP N N 47 117.390 117.390 118.996 -1.606 17839 6010 1 19 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.422 -0.686 17839 6011 1 19 . 1 1 47 47 ASP C C 47 178.689 178.689 178.004 0.685 17839 6012 1 19 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.524 -0.385 17839 6013 1 19 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.766 -0.970 17839 6014 1 19 . 1 1 47 47 ASP H H 47 7.450 7.450 8.036 -0.586 17839 6015 1 19 . 1 1 48 48 GLU N N 48 121.902 121.902 117.898 4.004 17839 6016 1 19 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.095 -0.335 17839 6017 1 19 . 1 1 48 48 GLU C C 48 179.201 179.201 178.720 0.481 17839 6018 1 19 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.093 -0.021 17839 6019 1 19 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.920 -0.259 17839 6020 1 19 . 1 1 48 48 GLU H H 48 7.732 7.732 7.499 0.233 17839 6021 1 19 . 1 1 49 49 ILE N N 49 120.605 120.605 116.978 3.627 17839 6022 1 19 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.089 -0.509 17839 6023 1 19 . 1 1 49 49 ILE C C 49 178.704 178.704 177.261 1.443 17839 6024 1 19 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.922 1.079 17839 6025 1 19 . 1 1 49 49 ILE CB C 49 37.963 37.963 36.956 1.007 17839 6026 1 19 . 1 1 49 49 ILE H H 49 8.551 8.551 7.653 0.898 17839 6027 1 19 . 1 1 50 50 LYS N N 50 119.061 119.061 116.741 2.320 17839 6028 1 19 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.209 -0.500 17839 6029 1 19 . 1 1 50 50 LYS C C 50 177.753 177.753 177.476 0.277 17839 6030 1 19 . 1 1 50 50 LYS CA C 50 59.664 59.664 57.835 1.829 17839 6031 1 19 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.332 -1.179 17839 6032 1 19 . 1 1 50 50 LYS H H 50 7.567 7.567 7.481 0.086 17839 6033 1 19 . 1 1 51 51 THR N N 51 109.727 109.727 114.057 -4.330 17839 6034 1 19 . 1 1 51 51 THR HA H 51 4.148 4.148 4.384 -0.236 17839 6035 1 19 . 1 1 51 51 THR C C 51 175.440 175.440 175.600 -0.160 17839 6036 1 19 . 1 1 51 51 THR CA C 51 63.347 63.347 64.815 -1.468 17839 6037 1 19 . 1 1 51 51 THR CB C 51 69.707 69.707 70.158 -0.451 17839 6038 1 19 . 1 1 51 51 THR H H 51 7.426 7.426 7.604 -0.178 17839 6039 1 19 . 1 1 52 52 PHE N N 52 120.966 120.966 121.748 -0.782 17839 6040 1 19 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.677 -0.169 17839 6041 1 19 . 1 1 52 52 PHE C C 52 176.816 176.816 175.924 0.892 17839 6042 1 19 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.296 -1.336 17839 6043 1 19 . 1 1 52 52 PHE CB C 52 37.524 37.524 38.840 -1.317 17839 6044 1 19 . 1 1 52 52 PHE H H 52 7.446 7.446 8.427 -0.981 17839 6045 1 19 . 1 1 53 53 THR N N 53 114.357 114.357 114.800 -0.443 17839 6046 1 19 . 1 1 53 53 THR HA H 53 4.223 4.223 3.611 0.612 17839 6047 1 19 . 1 1 53 53 THR C C 53 180.987 180.987 174.443 6.544 17839 6048 1 19 . 1 1 53 53 THR CA C 53 58.214 58.214 64.956 -6.742 17839 6049 1 19 . 1 1 53 53 THR CB C 53 70.157 70.157 69.214 0.943 17839 6050 1 19 . 1 1 53 53 THR H H 53 7.953 7.953 8.128 -0.175 17839 6051 1 19 . 1 1 54 54 VAL N N 54 122.097 122.097 113.871 8.226 17839 6052 1 19 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.278 -0.176 17839 6053 1 19 . 1 1 54 54 VAL C C 54 179.509 179.509 174.866 4.643 17839 6054 1 19 . 1 1 54 54 VAL CA C 54 62.553 62.553 59.820 2.733 17839 6055 1 19 . 1 1 54 54 VAL CB C 54 32.722 32.722 34.062 -1.340 17839 6056 1 19 . 1 1 54 54 VAL H H 54 8.045 8.045 7.440 0.605 17839 6057 1 19 . 1 1 55 55 THR N N 55 118.590 118.590 118.476 0.114 17839 6058 1 19 . 1 1 55 55 THR HA H 55 4.235 4.235 4.708 -0.473 17839 6059 1 19 . 1 1 55 55 THR CA C 55 61.732 61.732 61.963 -0.231 17839 6060 1 19 . 1 1 55 55 THR CB C 55 69.869 69.869 69.101 0.768 17839 6061 1 19 . 1 1 55 55 THR H H 55 8.209 8.209 8.317 -0.108 17839 6062 1 20 . 1 1 2 2 THR N N 2 128.640 128.640 117.162 11.478 17839 6063 1 20 . 1 1 2 2 THR HA H 2 4.125 4.125 4.116 0.009 17839 6064 1 20 . 1 1 2 2 THR C C 2 173.743 173.743 173.720 0.023 17839 6065 1 20 . 1 1 2 2 THR CA C 2 61.651 61.651 61.605 0.046 17839 6066 1 20 . 1 1 2 2 THR CB C 2 69.626 69.626 69.184 0.442 17839 6067 1 20 . 1 1 2 2 THR H H 2 7.994 7.994 7.604 0.390 17839 6068 1 20 . 1 1 3 3 TYR N N 3 124.112 124.112 121.987 2.125 17839 6069 1 20 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.430 -0.248 17839 6070 1 20 . 1 1 3 3 TYR C C 3 175.675 175.675 175.399 0.276 17839 6071 1 20 . 1 1 3 3 TYR CA C 3 58.300 58.300 56.462 1.839 17839 6072 1 20 . 1 1 3 3 TYR CB C 3 38.518 38.518 38.675 -0.157 17839 6073 1 20 . 1 1 3 3 TYR H H 3 8.325 8.325 7.325 1.000 17839 6074 1 20 . 1 1 4 4 LYS N N 4 122.769 122.769 120.877 1.892 17839 6075 1 20 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.315 -0.432 17839 6076 1 20 . 1 1 4 4 LYS C C 4 175.923 175.923 176.454 -0.531 17839 6077 1 20 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.134 0.289 17839 6078 1 20 . 1 1 4 4 LYS CB C 4 32.767 32.767 32.684 0.083 17839 6079 1 20 . 1 1 4 4 LYS H H 4 8.027 8.027 8.391 -0.364 17839 6080 1 20 . 1 1 5 5 LEU N N 5 122.314 122.314 124.719 -2.405 17839 6081 1 20 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.413 -0.353 17839 6082 1 20 . 1 1 5 5 LEU C C 5 177.167 177.167 177.280 -0.113 17839 6083 1 20 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.149 0.140 17839 6084 1 20 . 1 1 5 5 LEU CB C 5 42.015 42.015 40.431 1.584 17839 6085 1 20 . 1 1 5 5 LEU H H 5 7.919 7.919 8.591 -0.672 17839 6086 1 20 . 1 1 6 6 ILE N N 6 122.789 122.789 126.913 -4.124 17839 6087 1 20 . 1 1 6 6 ILE HA H 6 3.865 3.865 3.925 -0.060 17839 6088 1 20 . 1 1 6 6 ILE C C 6 176.231 176.231 175.663 0.568 17839 6089 1 20 . 1 1 6 6 ILE CA C 6 61.390 61.390 62.127 -0.737 17839 6090 1 20 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.547 -0.688 17839 6091 1 20 . 1 1 6 6 ILE H H 6 7.998 7.998 8.141 -0.143 17839 6092 1 20 . 1 1 7 7 LEU N N 7 125.831 125.831 128.590 -2.759 17839 6093 1 20 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.671 -0.491 17839 6094 1 20 . 1 1 7 7 LEU C C 7 177.079 177.079 176.807 0.272 17839 6095 1 20 . 1 1 7 7 LEU CA C 7 55.056 55.056 53.517 1.539 17839 6096 1 20 . 1 1 7 7 LEU CB C 7 42.718 42.718 42.789 -0.071 17839 6097 1 20 . 1 1 7 7 LEU H H 7 8.099 8.099 8.062 0.037 17839 6098 1 20 . 1 1 8 8 ASN N N 8 118.052 118.052 117.285 0.767 17839 6099 1 20 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.616 -0.142 17839 6100 1 20 . 1 1 8 8 ASN C C 8 175.250 175.250 176.948 -1.698 17839 6101 1 20 . 1 1 8 8 ASN CA C 8 52.483 52.483 53.883 -1.400 17839 6102 1 20 . 1 1 8 8 ASN CB C 8 38.877 38.877 38.894 -0.017 17839 6103 1 20 . 1 1 8 8 ASN H H 8 8.058 8.058 8.289 -0.231 17839 6104 1 20 . 1 1 9 9 LEU N N 9 121.908 121.908 119.340 2.568 17839 6105 1 20 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.334 -0.682 17839 6106 1 20 . 1 1 9 9 LEU C C 9 177.065 177.065 178.126 -1.061 17839 6107 1 20 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.827 0.697 17839 6108 1 20 . 1 1 9 9 LEU CB C 9 41.950 41.950 41.807 0.143 17839 6109 1 20 . 1 1 9 9 LEU H H 9 8.251 8.251 8.539 -0.288 17839 6110 1 20 . 1 1 10 10 LYS N N 10 118.870 118.870 119.592 -0.722 17839 6111 1 20 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.839 -0.179 17839 6112 1 20 . 1 1 10 10 LYS C C 10 178.689 178.689 178.379 0.310 17839 6113 1 20 . 1 1 10 10 LYS CA C 10 59.800 59.800 60.321 -0.521 17839 6114 1 20 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.398 0.871 17839 6115 1 20 . 1 1 10 10 LYS H H 10 7.940 7.940 8.605 -0.665 17839 6116 1 20 . 1 1 11 11 GLN N N 11 117.959 117.959 117.829 0.130 17839 6117 1 20 . 1 1 11 11 GLN HA H 11 3.897 3.897 3.981 -0.084 17839 6118 1 20 . 1 1 11 11 GLN C C 11 179.084 179.084 178.012 1.072 17839 6119 1 20 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.663 0.522 17839 6120 1 20 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.007 1.464 17839 6121 1 20 . 1 1 11 11 GLN H H 11 7.549 7.549 8.051 -0.502 17839 6122 1 20 . 1 1 12 12 ALA N N 12 122.975 122.975 121.720 1.255 17839 6123 1 20 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.503 0.400 17839 6124 1 20 . 1 1 12 12 ALA C C 12 179.596 179.596 178.534 1.062 17839 6125 1 20 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.414 1.009 17839 6126 1 20 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.132 0.084 17839 6127 1 20 . 1 1 12 12 ALA H H 12 8.363 8.363 8.715 -0.352 17839 6128 1 20 . 1 1 13 13 LYS N N 13 116.930 116.930 119.850 -2.920 17839 6129 1 20 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.006 -0.669 17839 6130 1 20 . 1 1 13 13 LYS C C 13 177.621 177.621 178.455 -0.834 17839 6131 1 20 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.225 1.462 17839 6132 1 20 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.627 1.256 17839 6133 1 20 . 1 1 13 13 LYS H H 13 8.097 8.097 7.437 0.660 17839 6134 1 20 . 1 1 14 14 GLU N N 14 116.977 116.977 119.384 -2.407 17839 6135 1 20 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.095 -0.381 17839 6136 1 20 . 1 1 14 14 GLU C C 14 180.065 180.065 178.515 1.550 17839 6137 1 20 . 1 1 14 14 GLU CA C 14 59.584 59.584 58.821 0.763 17839 6138 1 20 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.106 0.083 17839 6139 1 20 . 1 1 14 14 GLU H H 14 7.582 7.582 8.295 -0.713 17839 6140 1 20 . 1 1 15 15 GLU N N 15 119.464 119.464 119.953 -0.489 17839 6141 1 20 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.766 0.143 17839 6142 1 20 . 1 1 15 15 GLU C C 15 178.367 178.367 178.680 -0.313 17839 6143 1 20 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.177 -0.578 17839 6144 1 20 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.515 0.520 17839 6145 1 20 . 1 1 15 15 GLU H H 15 8.313 8.313 7.401 0.912 17839 6146 1 20 . 1 1 16 16 ALA N N 16 122.073 122.073 121.463 0.610 17839 6147 1 20 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.127 -0.349 17839 6148 1 20 . 1 1 16 16 ALA C C 16 179.245 179.245 179.815 -0.570 17839 6149 1 20 . 1 1 16 16 ALA CA C 16 55.332 55.332 54.964 0.368 17839 6150 1 20 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.455 0.301 17839 6151 1 20 . 1 1 16 16 ALA H H 16 8.427 8.427 7.538 0.889 17839 6152 1 20 . 1 1 17 17 ILE N N 17 117.151 117.151 119.883 -2.732 17839 6153 1 20 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.535 -0.436 17839 6154 1 20 . 1 1 17 17 ILE C C 17 177.196 177.196 178.159 -0.963 17839 6155 1 20 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.831 -0.762 17839 6156 1 20 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.728 -1.094 17839 6157 1 20 . 1 1 17 17 ILE H H 17 8.177 8.177 7.643 0.534 17839 6158 1 20 . 1 1 18 18 LYS N N 18 119.317 119.317 119.533 -0.216 17839 6159 1 20 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.887 -0.218 17839 6160 1 20 . 1 1 18 18 LYS C C 18 178.279 178.279 179.284 -1.005 17839 6161 1 20 . 1 1 18 18 LYS CA C 18 59.975 59.975 60.321 -0.346 17839 6162 1 20 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.294 -0.279 17839 6163 1 20 . 1 1 18 18 LYS H H 18 7.525 7.525 8.442 -0.917 17839 6164 1 20 . 1 1 19 19 GLU N N 19 119.267 119.267 119.134 0.133 17839 6165 1 20 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.053 -0.128 17839 6166 1 20 . 1 1 19 19 GLU C C 19 178.104 178.104 179.230 -1.126 17839 6167 1 20 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.008 -0.103 17839 6168 1 20 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.648 -1.117 17839 6169 1 20 . 1 1 19 19 GLU H H 19 8.226 8.226 7.638 0.588 17839 6170 1 20 . 1 1 20 20 LEU N N 20 120.447 120.447 120.446 0.001 17839 6171 1 20 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.157 -0.234 17839 6172 1 20 . 1 1 20 20 LEU C C 20 179.991 179.991 179.216 0.775 17839 6173 1 20 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.021 0.081 17839 6174 1 20 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.158 -1.333 17839 6175 1 20 . 1 1 20 20 LEU H H 20 8.018 8.018 8.617 -0.599 17839 6176 1 20 . 1 1 21 21 VAL N N 21 124.479 124.479 118.454 6.025 17839 6177 1 20 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.780 0.038 17839 6178 1 20 . 1 1 21 21 VAL C C 21 177.431 177.431 177.685 -0.254 17839 6179 1 20 . 1 1 21 21 VAL CA C 21 66.379 66.379 66.261 0.118 17839 6180 1 20 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.854 0.133 17839 6181 1 20 . 1 1 21 21 VAL H H 21 9.048 9.048 8.161 0.887 17839 6182 1 20 . 1 1 22 22 ASP N N 22 121.941 121.941 118.721 3.220 17839 6183 1 20 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.511 -0.567 17839 6184 1 20 . 1 1 22 22 ASP C C 22 179.713 179.713 175.770 3.943 17839 6185 1 20 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.608 1.508 17839 6186 1 20 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.530 -2.030 17839 6187 1 20 . 1 1 22 22 ASP H H 22 8.077 8.077 7.707 0.370 17839 6188 1 20 . 1 1 23 23 ALA N N 23 116.831 116.831 120.074 -3.243 17839 6189 1 20 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.599 -0.419 17839 6190 1 20 . 1 1 23 23 ALA C C 23 177.855 177.855 177.261 0.594 17839 6191 1 20 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.068 1.233 17839 6192 1 20 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.451 -2.462 17839 6193 1 20 . 1 1 23 23 ALA H H 23 6.897 6.897 7.162 -0.265 17839 6194 1 20 . 1 1 24 24 GLY N N 24 107.830 107.830 110.031 -2.201 17839 6195 1 20 . 1 1 24 24 GLY C C 24 174.665 174.665 174.286 0.379 17839 6196 1 20 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.775 0.036 17839 6197 1 20 . 1 1 24 24 GLY H H 24 8.002 8.002 8.761 -0.759 17839 6198 1 20 . 1 1 25 25 THR N N 25 117.914 117.914 117.230 0.684 17839 6199 1 20 . 1 1 25 25 THR HA H 25 3.818 3.818 4.267 -0.449 17839 6200 1 20 . 1 1 25 25 THR C C 25 173.187 173.187 174.147 -0.960 17839 6201 1 20 . 1 1 25 25 THR CA C 25 64.001 64.001 62.630 1.371 17839 6202 1 20 . 1 1 25 25 THR CB C 25 69.674 69.674 70.164 -0.490 17839 6203 1 20 . 1 1 25 25 THR H H 25 7.784 7.784 8.342 -0.558 17839 6204 1 20 . 1 1 26 26 ALA N N 26 128.480 128.480 122.339 6.141 17839 6205 1 20 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.433 -0.436 17839 6206 1 20 . 1 1 26 26 ALA C C 26 177.884 177.884 177.227 0.657 17839 6207 1 20 . 1 1 26 26 ALA CA C 26 53.109 53.109 52.185 0.924 17839 6208 1 20 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.586 -1.718 17839 6209 1 20 . 1 1 26 26 ALA H H 26 8.749 8.749 7.984 0.765 17839 6210 1 20 . 1 1 27 27 GLU N N 27 120.909 120.909 124.170 -3.261 17839 6211 1 20 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.522 -1.283 17839 6212 1 20 . 1 1 27 27 GLU C C 27 178.631 178.631 177.400 1.231 17839 6213 1 20 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.195 -1.357 17839 6214 1 20 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.534 0.384 17839 6215 1 20 . 1 1 27 27 GLU H H 27 8.150 8.150 8.809 -0.659 17839 6216 1 20 . 1 1 28 28 LYS N N 28 117.447 117.447 117.765 -0.318 17839 6217 1 20 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.659 0.130 17839 6218 1 20 . 1 1 28 28 LYS C C 28 177.211 177.211 178.556 -1.345 17839 6219 1 20 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.603 -0.513 17839 6220 1 20 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.928 0.068 17839 6221 1 20 . 1 1 28 28 LYS H H 28 7.989 7.989 8.255 -0.266 17839 6222 1 20 . 1 1 29 29 TYR N N 29 116.462 116.462 118.731 -2.269 17839 6223 1 20 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.087 0.300 17839 6224 1 20 . 1 1 29 29 TYR C C 29 177.313 177.313 178.201 -0.888 17839 6225 1 20 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.602 -1.244 17839 6226 1 20 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.403 1.054 17839 6227 1 20 . 1 1 29 29 TYR H H 29 7.273 7.273 7.260 0.013 17839 6228 1 20 . 1 1 30 30 PHE N N 30 119.334 119.334 116.542 2.792 17839 6229 1 20 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.352 -0.272 17839 6230 1 20 . 1 1 30 30 PHE C C 30 178.762 178.762 177.414 1.348 17839 6231 1 20 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.836 -0.264 17839 6232 1 20 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.628 4.493 17839 6233 1 20 . 1 1 30 30 PHE H H 30 7.991 7.991 7.841 0.150 17839 6234 1 20 . 1 1 31 31 LYS N N 31 118.612 118.612 120.903 -2.291 17839 6235 1 20 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.362 -0.458 17839 6236 1 20 . 1 1 31 31 LYS C C 31 177.694 177.694 179.117 -1.423 17839 6237 1 20 . 1 1 31 31 LYS CA C 31 58.620 58.620 59.085 -0.465 17839 6238 1 20 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.599 -1.047 17839 6239 1 20 . 1 1 31 31 LYS H H 31 7.916 7.916 7.159 0.757 17839 6240 1 20 . 1 1 32 32 LEU N N 32 117.737 117.737 120.305 -2.568 17839 6241 1 20 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.093 -0.328 17839 6242 1 20 . 1 1 32 32 LEU C C 32 177.021 177.021 179.051 -2.030 17839 6243 1 20 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.714 -0.373 17839 6244 1 20 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.449 -1.032 17839 6245 1 20 . 1 1 32 32 LEU H H 32 7.316 7.316 8.231 -0.915 17839 6246 1 20 . 1 1 33 33 ILE N N 33 119.064 119.064 115.298 3.766 17839 6247 1 20 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.864 -0.212 17839 6248 1 20 . 1 1 33 33 ILE C C 33 177.489 177.489 177.871 -0.382 17839 6249 1 20 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.153 -2.368 17839 6250 1 20 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.253 -1.551 17839 6251 1 20 . 1 1 33 33 ILE H H 33 7.620 7.620 8.335 -0.715 17839 6252 1 20 . 1 1 34 34 ALA N N 34 119.319 119.319 121.769 -2.450 17839 6253 1 20 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.985 -0.205 17839 6254 1 20 . 1 1 34 34 ALA C C 34 179.128 179.128 178.486 0.642 17839 6255 1 20 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.938 -0.086 17839 6256 1 20 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.132 0.118 17839 6257 1 20 . 1 1 34 34 ALA H H 34 7.594 7.594 7.786 -0.192 17839 6258 1 20 . 1 1 35 35 ASN N N 35 112.212 112.212 116.897 -4.685 17839 6259 1 20 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.627 -0.134 17839 6260 1 20 . 1 1 35 35 ASN C C 35 175.265 175.265 175.446 -0.181 17839 6261 1 20 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.546 -0.950 17839 6262 1 20 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.464 -0.557 17839 6263 1 20 . 1 1 35 35 ASN H H 35 7.264 7.264 7.823 -0.559 17839 6264 1 20 . 1 1 36 36 ALA N N 36 124.435 124.435 123.323 1.112 17839 6265 1 20 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.263 -0.254 17839 6266 1 20 . 1 1 36 36 ALA C C 36 177.826 177.826 177.014 0.812 17839 6267 1 20 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.595 0.542 17839 6268 1 20 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.640 -0.123 17839 6269 1 20 . 1 1 36 36 ALA H H 36 7.270 7.270 7.551 -0.281 17839 6270 1 20 . 1 1 37 37 LYS N N 37 116.671 116.671 121.392 -4.721 17839 6271 1 20 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.409 -0.236 17839 6272 1 20 . 1 1 37 37 LYS C C 37 176.772 176.772 176.002 0.770 17839 6273 1 20 . 1 1 37 37 LYS CA C 37 56.537 56.537 56.146 0.391 17839 6274 1 20 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.348 2.551 17839 6275 1 20 . 1 1 37 37 LYS H H 37 8.682 8.682 8.612 0.070 17839 6276 1 20 . 1 1 38 38 THR N N 38 106.220 106.220 109.613 -3.393 17839 6277 1 20 . 1 1 38 38 THR HA H 38 4.541 4.541 4.557 -0.016 17839 6278 1 20 . 1 1 38 38 THR C C 38 173.816 173.816 175.560 -1.744 17839 6279 1 20 . 1 1 38 38 THR CA C 38 58.209 58.209 59.960 -1.751 17839 6280 1 20 . 1 1 38 38 THR CB C 38 72.726 72.726 71.785 0.941 17839 6281 1 20 . 1 1 38 38 THR H H 38 7.232 7.232 7.420 -0.188 17839 6282 1 20 . 1 1 39 39 VAL N N 39 122.896 122.896 122.664 0.232 17839 6283 1 20 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.979 -1.101 17839 6284 1 20 . 1 1 39 39 VAL C C 39 176.655 176.655 177.130 -0.475 17839 6285 1 20 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.059 2.059 17839 6286 1 20 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.259 0.001 17839 6287 1 20 . 1 1 39 39 VAL H H 39 8.835 8.835 8.737 0.098 17839 6288 1 20 . 1 1 40 40 GLU N N 40 117.945 117.945 120.138 -2.193 17839 6289 1 20 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.155 -0.373 17839 6290 1 20 . 1 1 40 40 GLU C C 40 179.362 179.362 179.033 0.329 17839 6291 1 20 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.625 0.299 17839 6292 1 20 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.762 -0.506 17839 6293 1 20 . 1 1 40 40 GLU H H 40 8.735 8.735 9.029 -0.294 17839 6294 1 20 . 1 1 41 41 GLY N N 41 108.576 108.576 107.923 0.653 17839 6295 1 20 . 1 1 41 41 GLY C C 41 176.275 176.275 175.646 0.629 17839 6296 1 20 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.692 -0.387 17839 6297 1 20 . 1 1 41 41 GLY H H 41 8.019 8.019 7.561 0.458 17839 6298 1 20 . 1 1 42 42 VAL N N 42 122.823 122.823 122.454 0.369 17839 6299 1 20 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.774 -0.031 17839 6300 1 20 . 1 1 42 42 VAL C C 42 177.211 177.211 177.828 -0.617 17839 6301 1 20 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.603 0.714 17839 6302 1 20 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.989 -1.756 17839 6303 1 20 . 1 1 42 42 VAL H H 42 7.705 7.705 7.291 0.414 17839 6304 1 20 . 1 1 43 43 TRP N N 43 119.439 119.439 118.522 0.917 17839 6305 1 20 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.392 -0.080 17839 6306 1 20 . 1 1 43 43 TRP C C 43 178.879 178.879 178.720 0.159 17839 6307 1 20 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.484 -2.251 17839 6308 1 20 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.171 -0.368 17839 6309 1 20 . 1 1 43 43 TRP H H 43 7.497 7.497 8.879 -1.382 17839 6310 1 20 . 1 1 44 44 THR N N 44 115.130 115.130 114.727 0.403 17839 6311 1 20 . 1 1 44 44 THR HA H 44 3.877 3.877 4.408 -0.531 17839 6312 1 20 . 1 1 44 44 THR C C 44 177.299 177.299 176.753 0.546 17839 6313 1 20 . 1 1 44 44 THR CA C 44 66.178 66.178 65.130 1.048 17839 6314 1 20 . 1 1 44 44 THR CB C 44 68.938 68.938 68.590 0.348 17839 6315 1 20 . 1 1 44 44 THR H H 44 8.278 8.278 7.646 0.632 17839 6316 1 20 . 1 1 45 45 LEU N N 45 123.159 123.159 122.802 0.357 17839 6317 1 20 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.394 -0.455 17839 6318 1 20 . 1 1 45 45 LEU C C 45 178.235 178.235 179.325 -1.090 17839 6319 1 20 . 1 1 45 45 LEU CA C 45 57.647 57.647 57.746 -0.099 17839 6320 1 20 . 1 1 45 45 LEU CB C 45 42.308 42.308 40.995 1.313 17839 6321 1 20 . 1 1 45 45 LEU H H 45 7.835 7.835 7.843 -0.008 17839 6322 1 20 . 1 1 46 46 LYS N N 46 119.348 119.348 119.436 -0.088 17839 6323 1 20 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.921 -0.401 17839 6324 1 20 . 1 1 46 46 LYS C C 46 177.518 177.518 178.232 -0.714 17839 6325 1 20 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.965 0.592 17839 6326 1 20 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.971 -1.746 17839 6327 1 20 . 1 1 46 46 LYS H H 46 8.521 8.521 8.205 0.316 17839 6328 1 20 . 1 1 47 47 ASP N N 47 117.390 117.390 118.205 -0.815 17839 6329 1 20 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.425 -0.689 17839 6330 1 20 . 1 1 47 47 ASP C C 47 178.689 178.689 178.499 0.190 17839 6331 1 20 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.536 -0.397 17839 6332 1 20 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.305 -0.509 17839 6333 1 20 . 1 1 47 47 ASP H H 47 7.450 7.450 7.800 -0.350 17839 6334 1 20 . 1 1 48 48 GLU N N 48 121.902 121.902 119.140 2.762 17839 6335 1 20 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.158 -0.398 17839 6336 1 20 . 1 1 48 48 GLU C C 48 179.201 179.201 179.067 0.134 17839 6337 1 20 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.033 0.039 17839 6338 1 20 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.745 -0.084 17839 6339 1 20 . 1 1 48 48 GLU H H 48 7.732 7.732 7.426 0.306 17839 6340 1 20 . 1 1 49 49 ILE N N 49 120.605 120.605 119.085 1.520 17839 6341 1 20 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.964 -0.384 17839 6342 1 20 . 1 1 49 49 ILE C C 49 178.704 178.704 177.475 1.229 17839 6343 1 20 . 1 1 49 49 ILE CA C 49 64.001 64.001 63.415 0.586 17839 6344 1 20 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.191 0.772 17839 6345 1 20 . 1 1 49 49 ILE H H 49 8.551 8.551 7.267 1.284 17839 6346 1 20 . 1 1 50 50 LYS N N 50 119.061 119.061 117.257 1.804 17839 6347 1 20 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.030 -0.321 17839 6348 1 20 . 1 1 50 50 LYS C C 50 177.753 177.753 178.891 -1.138 17839 6349 1 20 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.882 0.783 17839 6350 1 20 . 1 1 50 50 LYS CB C 50 32.153 32.153 32.897 -0.744 17839 6351 1 20 . 1 1 50 50 LYS H H 50 7.567 7.567 7.710 -0.143 17839 6352 1 20 . 1 1 51 51 THR N N 51 109.727 109.727 113.015 -3.288 17839 6353 1 20 . 1 1 51 51 THR HA H 51 4.148 4.148 4.193 -0.045 17839 6354 1 20 . 1 1 51 51 THR C C 51 175.440 175.440 176.229 -0.789 17839 6355 1 20 . 1 1 51 51 THR CA C 51 63.347 63.347 64.752 -1.405 17839 6356 1 20 . 1 1 51 51 THR CB C 51 69.707 69.707 69.390 0.317 17839 6357 1 20 . 1 1 51 51 THR H H 51 7.426 7.426 7.553 -0.127 17839 6358 1 20 . 1 1 52 52 PHE N N 52 120.966 120.966 121.740 -0.774 17839 6359 1 20 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.763 -0.255 17839 6360 1 20 . 1 1 52 52 PHE C C 52 176.816 176.816 175.904 0.912 17839 6361 1 20 . 1 1 52 52 PHE CA C 52 56.960 56.960 57.780 -0.820 17839 6362 1 20 . 1 1 52 52 PHE CB C 52 37.524 37.524 38.806 -1.282 17839 6363 1 20 . 1 1 52 52 PHE H H 52 7.446 7.446 8.309 -0.863 17839 6364 1 20 . 1 1 53 53 THR N N 53 114.357 114.357 114.753 -0.396 17839 6365 1 20 . 1 1 53 53 THR HA H 53 4.223 4.223 3.627 0.596 17839 6366 1 20 . 1 1 53 53 THR C C 53 180.987 180.987 174.642 6.345 17839 6367 1 20 . 1 1 53 53 THR CA C 53 58.214 58.214 64.605 -6.391 17839 6368 1 20 . 1 1 53 53 THR CB C 53 70.157 70.157 68.730 1.427 17839 6369 1 20 . 1 1 53 53 THR H H 53 7.953 7.953 7.168 0.785 17839 6370 1 20 . 1 1 54 54 VAL N N 54 122.097 122.097 117.065 5.032 17839 6371 1 20 . 1 1 54 54 VAL HA H 54 4.102 4.102 3.988 0.114 17839 6372 1 20 . 1 1 54 54 VAL C C 54 179.509 179.509 175.670 3.839 17839 6373 1 20 . 1 1 54 54 VAL CA C 54 62.553 62.553 62.363 0.190 17839 6374 1 20 . 1 1 54 54 VAL CB C 54 32.722 32.722 31.888 0.834 17839 6375 1 20 . 1 1 54 54 VAL H H 54 8.045 8.045 7.686 0.359 17839 6376 1 20 . 1 1 55 55 THR N N 55 118.590 118.590 120.935 -2.345 17839 6377 1 20 . 1 1 55 55 THR HA H 55 4.235 4.235 4.500 -0.265 17839 6378 1 20 . 1 1 55 55 THR CA C 55 61.732 61.732 61.391 0.341 17839 6379 1 20 . 1 1 55 55 THR CB C 55 69.869 69.869 69.905 -0.036 17839 6380 1 20 . 1 1 55 55 THR H H 55 8.209 8.209 8.204 0.005 17839 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 54 3.140 -0.124 3.167 17839 2 1 1 "Average Difference" HA 52 0.444 0.301 0.330 17839 3 1 1 "Average Difference" C 53 1.513 -0.377 1.479 17839 4 1 1 "Average Difference" CA 54 1.509 0.054 1.522 17839 5 1 1 "Average Difference" CB 52 1.309 0.151 1.313 17839 6 1 1 "Average Difference" HN 54 0.562 0.105 0.557 17839 7 1 2 "Average Difference" N 54 3.107 -0.300 3.122 17839 8 1 2 "Average Difference" HA 52 0.433 0.297 0.318 17839 9 1 2 "Average Difference" C 53 1.459 -0.426 1.408 17839 10 1 2 "Average Difference" CA 54 1.313 0.050 1.324 17839 11 1 2 "Average Difference" CB 52 1.267 0.137 1.272 17839 12 1 2 "Average Difference" HN 54 0.607 0.073 0.608 17839 13 1 3 "Average Difference" N 54 2.725 0.127 2.748 17839 14 1 3 "Average Difference" HA 52 0.485 0.332 0.357 17839 15 1 3 "Average Difference" C 53 1.542 -0.310 1.525 17839 16 1 3 "Average Difference" CA 54 1.275 -0.043 1.287 17839 17 1 3 "Average Difference" CB 52 1.304 0.206 1.301 17839 18 1 3 "Average Difference" HN 54 0.591 0.116 0.585 17839 19 1 4 "Average Difference" N 54 3.468 -0.610 3.446 17839 20 1 4 "Average Difference" HA 52 0.449 0.278 0.356 17839 21 1 4 "Average Difference" C 53 1.404 -0.215 1.401 17839 22 1 4 "Average Difference" CA 54 1.528 0.089 1.540 17839 23 1 4 "Average Difference" CB 52 1.241 0.067 1.251 17839 24 1 4 "Average Difference" HN 54 0.564 0.103 0.560 17839 25 1 5 "Average Difference" N 54 2.662 -0.533 2.632 17839 26 1 5 "Average Difference" HA 52 0.437 0.284 0.335 17839 27 1 5 "Average Difference" C 53 1.317 -0.240 1.308 17839 28 1 5 "Average Difference" CA 54 1.492 0.237 1.487 17839 29 1 5 "Average Difference" CB 52 1.143 0.098 1.150 17839 30 1 5 "Average Difference" HN 54 0.600 0.085 0.599 17839 31 1 6 "Average Difference" N 54 3.200 -0.404 3.204 17839 32 1 6 "Average Difference" HA 52 0.415 0.262 0.324 17839 33 1 6 "Average Difference" C 53 1.510 -0.359 1.481 17839 34 1 6 "Average Difference" CA 54 1.389 0.088 1.399 17839 35 1 6 "Average Difference" CB 52 1.240 0.052 1.251 17839 36 1 6 "Average Difference" HN 54 0.542 0.095 0.538 17839 37 1 7 "Average Difference" N 54 3.095 -0.073 3.124 17839 38 1 7 "Average Difference" HA 52 0.436 0.299 0.320 17839 39 1 7 "Average Difference" C 53 1.543 -0.358 1.516 17839 40 1 7 "Average Difference" CA 54 1.278 -0.087 1.287 17839 41 1 7 "Average Difference" CB 52 1.274 0.095 1.282 17839 42 1 7 "Average Difference" HN 54 0.555 0.073 0.555 17839 43 1 8 "Average Difference" N 54 2.696 -0.078 2.720 17839 44 1 8 "Average Difference" HA 52 0.449 0.309 0.330 17839 45 1 8 "Average Difference" C 53 1.522 -0.369 1.491 17839 46 1 8 "Average Difference" CA 54 1.395 0.024 1.408 17839 47 1 8 "Average Difference" CB 52 1.236 0.037 1.247 17839 48 1 8 "Average Difference" HN 54 0.560 0.115 0.553 17839 49 1 9 "Average Difference" N 54 3.025 -0.026 3.053 17839 50 1 9 "Average Difference" HA 52 0.480 0.307 0.373 17839 51 1 9 "Average Difference" C 53 1.419 -0.293 1.402 17839 52 1 9 "Average Difference" CA 54 1.456 0.001 1.470 17839 53 1 9 "Average Difference" CB 52 1.176 0.015 1.187 17839 54 1 9 "Average Difference" HN 54 0.581 0.126 0.572 17839 55 1 10 "Average Difference" N 54 3.161 -0.119 3.188 17839 56 1 10 "Average Difference" HA 52 0.430 0.279 0.330 17839 57 1 10 "Average Difference" C 53 1.463 -0.351 1.434 17839 58 1 10 "Average Difference" CA 54 1.359 0.058 1.371 17839 59 1 10 "Average Difference" CB 52 1.223 0.103 1.231 17839 60 1 10 "Average Difference" HN 54 0.557 0.065 0.559 17839 61 1 11 "Average Difference" N 54 2.984 0.057 3.011 17839 62 1 11 "Average Difference" HA 52 0.407 0.272 0.306 17839 63 1 11 "Average Difference" C 53 1.642 -0.399 1.608 17839 64 1 11 "Average Difference" CA 54 1.168 0.032 1.178 17839 65 1 11 "Average Difference" CB 52 1.257 0.078 1.267 17839 66 1 11 "Average Difference" HN 54 0.551 0.075 0.551 17839 67 1 12 "Average Difference" N 54 3.050 -0.024 3.078 17839 68 1 12 "Average Difference" HA 52 0.399 0.280 0.287 17839 69 1 12 "Average Difference" C 53 1.502 -0.299 1.486 17839 70 1 12 "Average Difference" CA 54 1.398 -0.004 1.411 17839 71 1 12 "Average Difference" CB 52 1.197 0.012 1.209 17839 72 1 12 "Average Difference" HN 54 0.564 0.108 0.558 17839 73 1 13 "Average Difference" N 54 3.262 -0.072 3.292 17839 74 1 13 "Average Difference" HA 52 0.432 0.301 0.313 17839 75 1 13 "Average Difference" C 53 1.484 -0.400 1.443 17839 76 1 13 "Average Difference" CA 54 1.304 -0.009 1.316 17839 77 1 13 "Average Difference" CB 52 1.241 0.133 1.246 17839 78 1 13 "Average Difference" HN 54 0.539 0.098 0.535 17839 79 1 14 "Average Difference" N 54 2.537 -0.319 2.541 17839 80 1 14 "Average Difference" HA 52 0.459 0.273 0.372 17839 81 1 14 "Average Difference" C 53 1.425 -0.329 1.399 17839 82 1 14 "Average Difference" CA 54 1.391 0.156 1.395 17839 83 1 14 "Average Difference" CB 52 1.381 0.010 1.394 17839 84 1 14 "Average Difference" HN 54 0.555 0.156 0.537 17839 85 1 15 "Average Difference" N 54 3.418 -0.383 3.428 17839 86 1 15 "Average Difference" HA 52 0.467 0.298 0.363 17839 87 1 15 "Average Difference" C 53 1.464 -0.298 1.447 17839 88 1 15 "Average Difference" CA 54 1.498 0.076 1.510 17839 89 1 15 "Average Difference" CB 52 1.306 0.139 1.311 17839 90 1 15 "Average Difference" HN 54 0.563 0.042 0.567 17839 91 1 16 "Average Difference" N 54 3.107 -0.557 3.085 17839 92 1 16 "Average Difference" HA 52 0.462 0.282 0.370 17839 93 1 16 "Average Difference" C 53 1.412 -0.412 1.363 17839 94 1 16 "Average Difference" CA 54 1.295 0.049 1.307 17839 95 1 16 "Average Difference" CB 52 1.227 0.107 1.235 17839 96 1 16 "Average Difference" HN 54 0.537 0.101 0.533 17839 97 1 17 "Average Difference" N 54 3.077 -0.251 3.096 17839 98 1 17 "Average Difference" HA 52 0.475 0.326 0.349 17839 99 1 17 "Average Difference" C 53 1.518 -0.497 1.448 17839 100 1 17 "Average Difference" CA 54 1.385 -0.111 1.394 17839 101 1 17 "Average Difference" CB 52 1.208 0.168 1.208 17839 102 1 17 "Average Difference" HN 54 0.566 0.106 0.561 17839 103 1 18 "Average Difference" N 54 3.033 -0.290 3.048 17839 104 1 18 "Average Difference" HA 52 0.424 0.299 0.303 17839 105 1 18 "Average Difference" C 53 1.583 -0.355 1.557 17839 106 1 18 "Average Difference" CA 54 1.199 0.003 1.210 17839 107 1 18 "Average Difference" CB 52 1.264 0.030 1.276 17839 108 1 18 "Average Difference" HN 54 0.503 0.038 0.506 17839 109 1 19 "Average Difference" N 54 3.377 -0.358 3.390 17839 110 1 19 "Average Difference" HA 52 0.459 0.300 0.352 17839 111 1 19 "Average Difference" C 53 1.473 -0.264 1.463 17839 112 1 19 "Average Difference" CA 54 1.527 0.035 1.541 17839 113 1 19 "Average Difference" CB 52 1.218 0.100 1.226 17839 114 1 19 "Average Difference" HN 54 0.551 0.055 0.553 17839 115 1 20 "Average Difference" N 54 2.974 0.025 3.002 17839 116 1 20 "Average Difference" HA 52 0.416 0.268 0.321 17839 117 1 20 "Average Difference" C 53 1.449 -0.158 1.455 17839 118 1 20 "Average Difference" CA 54 1.300 0.075 1.310 17839 119 1 20 "Average Difference" CB 52 1.191 0.023 1.203 17839 120 1 20 "Average Difference" HN 54 0.590 0.024 0.595 17839 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 17839 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR N N 2 128.640 128.640 117.083 11.557 17839 2 1 . 1 1 2 2 THR HA H 2 4.125 4.125 4.369 -0.244 17839 3 1 . 1 1 2 2 THR C C 2 173.743 173.743 173.574 0.169 17839 4 1 . 1 1 2 2 THR CA C 2 61.651 61.651 62.360 -0.709 17839 5 1 . 1 1 2 2 THR CB C 2 69.626 69.626 69.343 0.283 17839 6 1 . 1 1 2 2 THR H H 2 7.994 7.994 8.163 -0.169 17839 7 1 . 1 1 3 3 TYR N N 3 124.112 124.112 122.160 1.952 17839 8 1 . 1 1 3 3 TYR HA H 3 4.182 4.182 4.509 -0.327 17839 9 1 . 1 1 3 3 TYR C C 3 175.675 175.675 175.502 0.173 17839 10 1 . 1 1 3 3 TYR CA C 3 58.300 58.300 57.982 0.318 17839 11 1 . 1 1 3 3 TYR CB C 3 38.518 38.518 39.235 -0.717 17839 12 1 . 1 1 3 3 TYR H H 3 8.325 8.325 8.172 0.153 17839 13 1 . 1 1 4 4 LYS N N 4 122.769 122.769 122.389 0.380 17839 14 1 . 1 1 4 4 LYS HA H 4 3.883 3.883 4.398 -0.515 17839 15 1 . 1 1 4 4 LYS C C 4 175.923 175.923 176.157 -0.234 17839 16 1 . 1 1 4 4 LYS CA C 4 56.423 56.423 56.054 0.369 17839 17 1 . 1 1 4 4 LYS CB C 4 32.767 32.767 33.042 -0.275 17839 18 1 . 1 1 4 4 LYS H H 4 8.027 8.027 8.226 -0.199 17839 19 1 . 1 1 5 5 LEU N N 5 122.314 122.314 122.780 -0.466 17839 20 1 . 1 1 5 5 LEU HA H 5 4.060 4.060 4.370 -0.310 17839 21 1 . 1 1 5 5 LEU C C 5 177.167 177.167 176.942 0.225 17839 22 1 . 1 1 5 5 LEU CA C 5 55.289 55.289 55.281 0.008 17839 23 1 . 1 1 5 5 LEU CB C 5 42.015 42.015 41.476 0.539 17839 24 1 . 1 1 5 5 LEU H H 5 7.919 7.919 8.511 -0.592 17839 25 1 . 1 1 6 6 ILE N N 6 122.789 122.789 123.822 -1.033 17839 26 1 . 1 1 6 6 ILE HA H 6 3.865 3.865 4.059 -0.194 17839 27 1 . 1 1 6 6 ILE C C 6 176.231 176.231 175.191 1.040 17839 28 1 . 1 1 6 6 ILE CA C 6 61.390 61.390 61.184 0.206 17839 29 1 . 1 1 6 6 ILE CB C 6 37.859 37.859 38.103 -0.244 17839 30 1 . 1 1 6 6 ILE H H 6 7.998 7.998 8.051 -0.053 17839 31 1 . 1 1 7 7 LEU N N 7 125.831 125.831 127.404 -1.573 17839 32 1 . 1 1 7 7 LEU HA H 7 4.180 4.180 4.631 -0.451 17839 33 1 . 1 1 7 7 LEU C C 7 177.079 177.079 176.045 1.034 17839 34 1 . 1 1 7 7 LEU CA C 7 55.056 55.056 54.601 0.455 17839 35 1 . 1 1 7 7 LEU CB C 7 42.718 42.718 42.457 0.261 17839 36 1 . 1 1 7 7 LEU H H 7 8.099 8.099 8.259 -0.160 17839 37 1 . 1 1 8 8 ASN N N 8 118.052 118.052 119.031 -0.979 17839 38 1 . 1 1 8 8 ASN HA H 8 4.474 4.474 4.859 -0.385 17839 39 1 . 1 1 8 8 ASN C C 8 175.250 175.250 175.539 -0.289 17839 40 1 . 1 1 8 8 ASN CA C 8 52.483 52.483 52.820 -0.337 17839 41 1 . 1 1 8 8 ASN CB C 8 38.877 38.877 40.772 -1.895 17839 42 1 . 1 1 8 8 ASN H H 8 8.058 8.058 8.173 -0.115 17839 43 1 . 1 1 9 9 LEU N N 9 121.908 121.908 119.873 2.035 17839 44 1 . 1 1 9 9 LEU HA H 9 3.652 3.652 4.418 -0.766 17839 45 1 . 1 1 9 9 LEU C C 9 177.065 177.065 178.031 -0.966 17839 46 1 . 1 1 9 9 LEU CA C 9 58.524 58.524 57.479 1.046 17839 47 1 . 1 1 9 9 LEU CB C 9 41.950 41.950 42.000 -0.050 17839 48 1 . 1 1 9 9 LEU H H 9 8.251 8.251 8.478 -0.227 17839 49 1 . 1 1 10 10 LYS N N 10 118.870 118.870 120.239 -1.369 17839 50 1 . 1 1 10 10 LYS HA H 10 3.660 3.660 3.901 -0.241 17839 51 1 . 1 1 10 10 LYS C C 10 178.689 178.689 178.437 0.252 17839 52 1 . 1 1 10 10 LYS CA C 10 59.800 59.800 59.820 -0.020 17839 53 1 . 1 1 10 10 LYS CB C 10 32.269 32.269 31.276 0.993 17839 54 1 . 1 1 10 10 LYS H H 10 7.940 7.940 8.568 -0.628 17839 55 1 . 1 1 11 11 GLN N N 11 117.959 117.959 117.155 0.804 17839 56 1 . 1 1 11 11 GLN HA H 11 3.897 3.897 4.090 -0.193 17839 57 1 . 1 1 11 11 GLN C C 11 179.084 179.084 178.234 0.850 17839 58 1 . 1 1 11 11 GLN CA C 11 59.185 59.185 58.653 0.532 17839 59 1 . 1 1 11 11 GLN CB C 11 29.471 29.471 28.115 1.356 17839 60 1 . 1 1 11 11 GLN H H 11 7.549 7.549 8.338 -0.789 17839 61 1 . 1 1 12 12 ALA N N 12 122.975 122.975 122.066 0.909 17839 62 1 . 1 1 12 12 ALA HA H 12 3.903 3.903 3.544 0.359 17839 63 1 . 1 1 12 12 ALA C C 12 179.596 179.596 178.727 0.869 17839 64 1 . 1 1 12 12 ALA CA C 12 55.423 55.423 54.176 1.247 17839 65 1 . 1 1 12 12 ALA CB C 12 18.216 18.216 18.225 -0.009 17839 66 1 . 1 1 12 12 ALA H H 12 8.363 8.363 8.465 -0.102 17839 67 1 . 1 1 13 13 LYS N N 13 116.930 116.930 119.991 -3.061 17839 68 1 . 1 1 13 13 LYS HA H 13 3.337 3.337 4.000 -0.663 17839 69 1 . 1 1 13 13 LYS C C 13 177.621 177.621 178.394 -0.773 17839 70 1 . 1 1 13 13 LYS CA C 13 60.687 60.687 59.290 1.397 17839 71 1 . 1 1 13 13 LYS CB C 13 32.883 32.883 31.859 1.024 17839 72 1 . 1 1 13 13 LYS H H 13 8.097 8.097 7.876 0.221 17839 73 1 . 1 1 14 14 GLU N N 14 116.977 116.977 119.007 -2.030 17839 74 1 . 1 1 14 14 GLU HA H 14 3.714 3.714 4.081 -0.367 17839 75 1 . 1 1 14 14 GLU C C 14 180.065 180.065 178.484 1.581 17839 76 1 . 1 1 14 14 GLU CA C 14 59.584 59.584 59.114 0.470 17839 77 1 . 1 1 14 14 GLU CB C 14 29.189 29.189 29.250 -0.061 17839 78 1 . 1 1 14 14 GLU H H 14 7.582 7.582 8.253 -0.671 17839 79 1 . 1 1 15 15 GLU N N 15 119.464 119.464 120.068 -0.604 17839 80 1 . 1 1 15 15 GLU HA H 15 3.909 3.909 3.776 0.133 17839 81 1 . 1 1 15 15 GLU C C 15 178.367 178.367 178.717 -0.350 17839 82 1 . 1 1 15 15 GLU CA C 15 58.599 58.599 59.113 -0.514 17839 83 1 . 1 1 15 15 GLU CB C 15 29.035 29.035 28.517 0.518 17839 84 1 . 1 1 15 15 GLU H H 15 8.313 8.313 7.404 0.909 17839 85 1 . 1 1 16 16 ALA N N 16 122.073 122.073 121.284 0.789 17839 86 1 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.083 -0.305 17839 87 1 . 1 1 16 16 ALA C C 16 179.245 179.245 179.490 -0.245 17839 88 1 . 1 1 16 16 ALA CA C 16 55.332 55.332 55.073 0.259 17839 89 1 . 1 1 16 16 ALA CB C 16 18.756 18.756 18.585 0.171 17839 90 1 . 1 1 16 16 ALA H H 16 8.427 8.427 7.545 0.882 17839 91 1 . 1 1 17 17 ILE N N 17 117.151 117.151 119.704 -2.554 17839 92 1 . 1 1 17 17 ILE HA H 17 3.099 3.099 3.564 -0.465 17839 93 1 . 1 1 17 17 ILE C C 17 177.196 177.196 178.040 -0.844 17839 94 1 . 1 1 17 17 ILE CA C 17 65.069 65.069 65.428 -0.359 17839 95 1 . 1 1 17 17 ILE CB C 17 36.634 36.634 37.569 -0.935 17839 96 1 . 1 1 17 17 ILE H H 17 8.177 8.177 7.667 0.510 17839 97 1 . 1 1 18 18 LYS N N 18 119.317 119.317 119.517 -0.200 17839 98 1 . 1 1 18 18 LYS HA H 18 3.669 3.669 3.898 -0.229 17839 99 1 . 1 1 18 18 LYS C C 18 178.279 178.279 179.164 -0.885 17839 100 1 . 1 1 18 18 LYS CA C 18 59.975 59.975 59.841 0.134 17839 101 1 . 1 1 18 18 LYS CB C 18 32.015 32.015 32.238 -0.223 17839 102 1 . 1 1 18 18 LYS H H 18 7.525 7.525 8.441 -0.916 17839 103 1 . 1 1 19 19 GLU N N 19 119.267 119.267 119.137 0.130 17839 104 1 . 1 1 19 19 GLU HA H 19 3.925 3.925 4.075 -0.150 17839 105 1 . 1 1 19 19 GLU C C 19 178.104 178.104 179.268 -1.164 17839 106 1 . 1 1 19 19 GLU CA C 19 58.905 58.905 59.003 -0.098 17839 107 1 . 1 1 19 19 GLU CB C 19 28.531 28.531 29.563 -1.032 17839 108 1 . 1 1 19 19 GLU H H 19 8.226 8.226 7.619 0.607 17839 109 1 . 1 1 20 20 LEU N N 20 120.447 120.447 120.510 -0.063 17839 110 1 . 1 1 20 20 LEU HA H 20 3.923 3.923 4.175 -0.252 17839 111 1 . 1 1 20 20 LEU C C 20 179.991 179.991 179.146 0.845 17839 112 1 . 1 1 20 20 LEU CA C 20 58.102 58.102 58.164 -0.062 17839 113 1 . 1 1 20 20 LEU CB C 20 40.825 40.825 42.199 -1.374 17839 114 1 . 1 1 20 20 LEU H H 20 8.018 8.018 8.597 -0.579 17839 115 1 . 1 1 21 21 VAL N N 21 124.479 124.479 117.795 6.684 17839 116 1 . 1 1 21 21 VAL HA H 21 3.818 3.818 3.774 0.044 17839 117 1 . 1 1 21 21 VAL C C 21 177.431 177.431 177.507 -0.076 17839 118 1 . 1 1 21 21 VAL CA C 21 66.379 66.379 65.537 0.842 17839 119 1 . 1 1 21 21 VAL CB C 21 31.987 31.987 31.492 0.495 17839 120 1 . 1 1 21 21 VAL H H 21 9.048 9.048 7.984 1.064 17839 121 1 . 1 1 22 22 ASP N N 22 121.941 121.941 119.211 2.730 17839 122 1 . 1 1 22 22 ASP HA H 22 3.944 3.944 4.531 -0.587 17839 123 1 . 1 1 22 22 ASP C C 22 179.713 179.713 175.755 3.958 17839 124 1 . 1 1 22 22 ASP CA C 22 57.116 57.116 55.679 1.437 17839 125 1 . 1 1 22 22 ASP CB C 22 39.500 39.500 41.586 -2.086 17839 126 1 . 1 1 22 22 ASP H H 22 8.077 8.077 7.758 0.319 17839 127 1 . 1 1 23 23 ALA N N 23 116.831 116.831 120.237 -3.406 17839 128 1 . 1 1 23 23 ALA HA H 23 4.180 4.180 4.584 -0.404 17839 129 1 . 1 1 23 23 ALA C C 23 177.855 177.855 176.790 1.065 17839 130 1 . 1 1 23 23 ALA CA C 23 52.301 52.301 51.016 1.285 17839 131 1 . 1 1 23 23 ALA CB C 23 18.990 18.990 21.521 -2.531 17839 132 1 . 1 1 23 23 ALA H H 23 6.897 6.897 7.133 -0.236 17839 133 1 . 1 1 24 24 GLY N N 24 107.830 107.830 109.007 -1.177 17839 134 1 . 1 1 24 24 GLY C C 24 174.665 174.665 174.187 0.478 17839 135 1 . 1 1 24 24 GLY CA C 24 45.811 45.811 45.934 -0.123 17839 136 1 . 1 1 24 24 GLY H H 24 8.002 8.002 8.619 -0.617 17839 137 1 . 1 1 25 25 THR N N 25 117.914 117.914 116.698 1.216 17839 138 1 . 1 1 25 25 THR HA H 25 3.818 3.818 4.365 -0.547 17839 139 1 . 1 1 25 25 THR C C 25 173.187 173.187 173.383 -0.196 17839 140 1 . 1 1 25 25 THR CA C 25 64.001 64.001 60.955 3.046 17839 141 1 . 1 1 25 25 THR CB C 25 69.674 69.674 70.639 -0.965 17839 142 1 . 1 1 25 25 THR H H 25 7.784 7.784 8.110 -0.326 17839 143 1 . 1 1 26 26 ALA N N 26 128.480 128.480 123.175 5.305 17839 144 1 . 1 1 26 26 ALA HA H 26 3.997 3.997 4.651 -0.654 17839 145 1 . 1 1 26 26 ALA C C 26 177.884 177.884 177.468 0.416 17839 146 1 . 1 1 26 26 ALA CA C 26 53.109 53.109 51.185 1.924 17839 147 1 . 1 1 26 26 ALA CB C 26 18.868 18.868 20.023 -1.155 17839 148 1 . 1 1 26 26 ALA H H 26 8.749 8.749 8.655 0.094 17839 149 1 . 1 1 27 27 GLU N N 27 120.909 120.909 123.792 -2.883 17839 150 1 . 1 1 27 27 GLU HA H 27 2.239 2.239 3.543 -1.304 17839 151 1 . 1 1 27 27 GLU C C 27 178.631 178.631 176.903 1.728 17839 152 1 . 1 1 27 27 GLU CA C 27 57.838 57.838 59.086 -1.248 17839 153 1 . 1 1 27 27 GLU CB C 27 28.918 28.918 28.609 0.309 17839 154 1 . 1 1 27 27 GLU H H 27 8.150 8.150 8.888 -0.738 17839 155 1 . 1 1 28 28 LYS N N 28 117.447 117.447 117.668 -0.221 17839 156 1 . 1 1 28 28 LYS HA H 28 3.789 3.789 3.745 0.044 17839 157 1 . 1 1 28 28 LYS C C 28 177.211 177.211 178.731 -1.520 17839 158 1 . 1 1 28 28 LYS CA C 28 58.090 58.090 58.114 -0.024 17839 159 1 . 1 1 28 28 LYS CB C 28 30.996 30.996 30.874 0.122 17839 160 1 . 1 1 28 28 LYS H H 28 7.989 7.989 8.159 -0.170 17839 161 1 . 1 1 29 29 TYR N N 29 116.462 116.462 118.470 -2.008 17839 162 1 . 1 1 29 29 TYR HA H 29 4.387 4.387 4.147 0.240 17839 163 1 . 1 1 29 29 TYR C C 29 177.313 177.313 177.914 -0.601 17839 164 1 . 1 1 29 29 TYR CA C 29 59.358 59.358 60.696 -1.338 17839 165 1 . 1 1 29 29 TYR CB C 29 38.456 38.456 37.373 1.083 17839 166 1 . 1 1 29 29 TYR H H 29 7.273 7.273 7.611 -0.338 17839 167 1 . 1 1 30 30 PHE N N 30 119.334 119.334 117.226 2.108 17839 168 1 . 1 1 30 30 PHE HA H 30 4.080 4.080 4.325 -0.245 17839 169 1 . 1 1 30 30 PHE C C 30 178.762 178.762 177.263 1.499 17839 170 1 . 1 1 30 30 PHE CA C 30 58.572 58.572 58.970 -0.398 17839 171 1 . 1 1 30 30 PHE CB C 30 42.121 42.121 37.692 4.429 17839 172 1 . 1 1 30 30 PHE H H 30 7.991 7.991 7.603 0.388 17839 173 1 . 1 1 31 31 LYS N N 31 118.612 118.612 120.118 -1.506 17839 174 1 . 1 1 31 31 LYS HA H 31 3.904 3.904 4.322 -0.418 17839 175 1 . 1 1 31 31 LYS C C 31 177.694 177.694 178.753 -1.059 17839 176 1 . 1 1 31 31 LYS CA C 31 58.620 58.620 58.884 -0.264 17839 177 1 . 1 1 31 31 LYS CB C 31 31.552 31.552 32.324 -0.772 17839 178 1 . 1 1 31 31 LYS H H 31 7.916 7.916 7.236 0.679 17839 179 1 . 1 1 32 32 LEU N N 32 117.737 117.737 119.832 -2.095 17839 180 1 . 1 1 32 32 LEU HA H 32 3.765 3.765 4.123 -0.358 17839 181 1 . 1 1 32 32 LEU C C 32 177.021 177.021 178.719 -1.698 17839 182 1 . 1 1 32 32 LEU CA C 32 57.341 57.341 57.543 -0.202 17839 183 1 . 1 1 32 32 LEU CB C 32 41.417 41.417 42.590 -1.173 17839 184 1 . 1 1 32 32 LEU H H 32 7.316 7.316 7.672 -0.356 17839 185 1 . 1 1 33 33 ILE N N 33 119.064 119.064 115.032 4.032 17839 186 1 . 1 1 33 33 ILE HA H 33 3.652 3.652 3.929 -0.277 17839 187 1 . 1 1 33 33 ILE C C 33 177.489 177.489 177.930 -0.441 17839 188 1 . 1 1 33 33 ILE CA C 33 61.785 61.785 64.022 -2.237 17839 189 1 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.391 -1.689 17839 190 1 . 1 1 33 33 ILE H H 33 7.620 7.620 8.324 -0.704 17839 191 1 . 1 1 34 34 ALA N N 34 119.319 119.319 121.991 -2.672 17839 192 1 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.013 -0.233 17839 193 1 . 1 1 34 34 ALA C C 34 179.128 179.128 178.394 0.734 17839 194 1 . 1 1 34 34 ALA CA C 34 54.852 54.852 54.822 0.030 17839 195 1 . 1 1 34 34 ALA CB C 34 18.250 18.250 18.280 -0.030 17839 196 1 . 1 1 34 34 ALA H H 34 7.594 7.594 7.849 -0.255 17839 197 1 . 1 1 35 35 ASN N N 35 112.212 112.212 115.628 -3.416 17839 198 1 . 1 1 35 35 ASN HA H 35 4.493 4.493 4.645 -0.152 17839 199 1 . 1 1 35 35 ASN C C 35 175.265 175.265 175.479 -0.214 17839 200 1 . 1 1 35 35 ASN CA C 35 52.596 52.596 53.574 -0.978 17839 201 1 . 1 1 35 35 ASN CB C 35 38.907 38.907 39.020 -0.113 17839 202 1 . 1 1 35 35 ASN H H 35 7.264 7.264 7.773 -0.509 17839 203 1 . 1 1 36 36 ALA N N 36 124.435 124.435 123.354 1.081 17839 204 1 . 1 1 36 36 ALA HA H 36 4.009 4.009 4.242 -0.233 17839 205 1 . 1 1 36 36 ALA C C 36 177.826 177.826 177.349 0.477 17839 206 1 . 1 1 36 36 ALA CA C 36 53.137 53.137 52.816 0.321 17839 207 1 . 1 1 36 36 ALA CB C 36 19.517 19.517 19.415 0.102 17839 208 1 . 1 1 36 36 ALA H H 36 7.270 7.270 7.655 -0.385 17839 209 1 . 1 1 37 37 LYS N N 37 116.671 116.671 119.956 -3.285 17839 210 1 . 1 1 37 37 LYS HA H 37 4.173 4.173 4.189 -0.016 17839 211 1 . 1 1 37 37 LYS C C 37 176.772 176.772 176.069 0.703 17839 212 1 . 1 1 37 37 LYS CA C 37 56.537 56.537 57.234 -0.697 17839 213 1 . 1 1 37 37 LYS CB C 37 34.899 34.899 32.268 2.631 17839 214 1 . 1 1 37 37 LYS H H 37 8.682 8.682 8.505 0.177 17839 215 1 . 1 1 38 38 THR N N 38 106.220 106.220 110.320 -4.100 17839 216 1 . 1 1 38 38 THR HA H 38 4.541 4.541 4.577 -0.036 17839 217 1 . 1 1 38 38 THR C C 38 173.816 173.816 175.355 -1.539 17839 218 1 . 1 1 38 38 THR CA C 38 58.209 58.209 60.277 -2.068 17839 219 1 . 1 1 38 38 THR CB C 38 72.726 72.726 71.237 1.489 17839 220 1 . 1 1 38 38 THR H H 38 7.232 7.232 7.501 -0.269 17839 221 1 . 1 1 39 39 VAL N N 39 122.896 122.896 121.602 1.294 17839 222 1 . 1 1 39 39 VAL HA H 39 2.878 2.878 3.989 -1.111 17839 223 1 . 1 1 39 39 VAL C C 39 176.655 176.655 177.451 -0.796 17839 224 1 . 1 1 39 39 VAL CA C 39 67.118 67.118 65.466 1.652 17839 225 1 . 1 1 39 39 VAL CB C 39 31.260 31.260 31.382 -0.122 17839 226 1 . 1 1 39 39 VAL H H 39 8.835 8.835 8.748 0.087 17839 227 1 . 1 1 40 40 GLU N N 40 117.945 117.945 120.443 -2.498 17839 228 1 . 1 1 40 40 GLU HA H 40 3.782 3.782 4.152 -0.370 17839 229 1 . 1 1 40 40 GLU C C 40 179.362 179.362 179.103 0.259 17839 230 1 . 1 1 40 40 GLU CA C 40 59.924 59.924 59.837 0.087 17839 231 1 . 1 1 40 40 GLU CB C 40 28.256 28.256 28.636 -0.380 17839 232 1 . 1 1 40 40 GLU H H 40 8.735 8.735 9.063 -0.328 17839 233 1 . 1 1 41 41 GLY N N 41 108.576 108.576 107.295 1.281 17839 234 1 . 1 1 41 41 GLY C C 41 176.275 176.275 175.876 0.399 17839 235 1 . 1 1 41 41 GLY CA C 41 46.305 46.305 46.793 -0.488 17839 236 1 . 1 1 41 41 GLY H H 41 8.019 8.019 7.834 0.185 17839 237 1 . 1 1 42 42 VAL N N 42 122.823 122.823 122.507 0.316 17839 238 1 . 1 1 42 42 VAL HA H 42 3.743 3.743 3.875 -0.132 17839 239 1 . 1 1 42 42 VAL C C 42 177.211 177.211 177.786 -0.575 17839 240 1 . 1 1 42 42 VAL CA C 42 67.317 67.317 66.108 1.209 17839 241 1 . 1 1 42 42 VAL CB C 42 30.233 30.233 31.735 -1.502 17839 242 1 . 1 1 42 42 VAL H H 42 7.705 7.705 7.559 0.146 17839 243 1 . 1 1 43 43 TRP N N 43 119.439 119.439 118.811 0.627 17839 244 1 . 1 1 43 43 TRP HA H 43 4.312 4.312 4.403 -0.091 17839 245 1 . 1 1 43 43 TRP C C 43 178.879 178.879 178.662 0.217 17839 246 1 . 1 1 43 43 TRP CA C 43 59.233 59.233 61.699 -2.466 17839 247 1 . 1 1 43 43 TRP CB C 43 28.803 28.803 29.054 -0.251 17839 248 1 . 1 1 43 43 TRP H H 43 7.497 7.497 8.966 -1.469 17839 249 1 . 1 1 44 44 THR N N 44 115.130 115.130 114.552 0.578 17839 250 1 . 1 1 44 44 THR HA H 44 3.877 3.877 4.116 -0.239 17839 251 1 . 1 1 44 44 THR C C 44 177.299 177.299 176.595 0.704 17839 252 1 . 1 1 44 44 THR CA C 44 66.178 66.178 65.624 0.554 17839 253 1 . 1 1 44 44 THR CB C 44 68.938 68.938 68.432 0.506 17839 254 1 . 1 1 44 44 THR H H 44 8.278 8.278 7.686 0.592 17839 255 1 . 1 1 45 45 LEU N N 45 123.159 123.159 122.411 0.748 17839 256 1 . 1 1 45 45 LEU HA H 45 3.939 3.939 4.028 -0.089 17839 257 1 . 1 1 45 45 LEU C C 45 178.235 178.235 178.579 -0.344 17839 258 1 . 1 1 45 45 LEU CA C 45 57.647 57.647 58.091 -0.444 17839 259 1 . 1 1 45 45 LEU CB C 45 42.308 42.308 41.528 0.780 17839 260 1 . 1 1 45 45 LEU H H 45 7.835 7.835 7.775 0.060 17839 261 1 . 1 1 46 46 LYS N N 46 119.348 119.348 119.129 0.219 17839 262 1 . 1 1 46 46 LYS HA H 46 3.520 3.520 3.896 -0.376 17839 263 1 . 1 1 46 46 LYS C C 46 177.518 177.518 178.449 -0.931 17839 264 1 . 1 1 46 46 LYS CA C 46 60.558 60.558 59.697 0.861 17839 265 1 . 1 1 46 46 LYS CB C 46 30.225 30.225 31.752 -1.527 17839 266 1 . 1 1 46 46 LYS H H 46 8.521 8.521 8.054 0.467 17839 267 1 . 1 1 47 47 ASP N N 47 117.390 117.390 119.065 -1.675 17839 268 1 . 1 1 47 47 ASP HA H 47 3.736 3.736 4.416 -0.680 17839 269 1 . 1 1 47 47 ASP C C 47 178.689 178.689 178.230 0.459 17839 270 1 . 1 1 47 47 ASP CA C 47 57.139 57.139 57.569 -0.430 17839 271 1 . 1 1 47 47 ASP CB C 47 39.796 39.796 40.618 -0.822 17839 272 1 . 1 1 47 47 ASP H H 47 7.450 7.450 7.819 -0.369 17839 273 1 . 1 1 48 48 GLU N N 48 121.902 121.902 118.886 3.016 17839 274 1 . 1 1 48 48 GLU HA H 48 3.760 3.760 4.048 -0.288 17839 275 1 . 1 1 48 48 GLU C C 48 179.201 179.201 178.703 0.498 17839 276 1 . 1 1 48 48 GLU CA C 48 59.072 59.072 59.088 -0.016 17839 277 1 . 1 1 48 48 GLU CB C 48 29.661 29.661 29.480 0.181 17839 278 1 . 1 1 48 48 GLU H H 48 7.732 7.732 7.512 0.220 17839 279 1 . 1 1 49 49 ILE N N 49 120.605 120.605 118.229 2.376 17839 280 1 . 1 1 49 49 ILE HA H 49 3.580 3.580 4.107 -0.527 17839 281 1 . 1 1 49 49 ILE C C 49 178.704 178.704 177.650 1.054 17839 282 1 . 1 1 49 49 ILE CA C 49 64.001 64.001 62.983 1.018 17839 283 1 . 1 1 49 49 ILE CB C 49 37.963 37.963 37.243 0.720 17839 284 1 . 1 1 49 49 ILE H H 49 8.551 8.551 7.564 0.987 17839 285 1 . 1 1 50 50 LYS N N 50 119.061 119.061 118.497 0.564 17839 286 1 . 1 1 50 50 LYS HA H 50 3.709 3.709 4.171 -0.462 17839 287 1 . 1 1 50 50 LYS C C 50 177.753 177.753 177.930 -0.177 17839 288 1 . 1 1 50 50 LYS CA C 50 59.664 59.664 58.567 1.097 17839 289 1 . 1 1 50 50 LYS CB C 50 32.153 32.153 33.071 -0.918 17839 290 1 . 1 1 50 50 LYS H H 50 7.567 7.567 7.693 -0.126 17839 291 1 . 1 1 51 51 THR N N 51 109.727 109.727 113.293 -3.566 17839 292 1 . 1 1 51 51 THR HA H 51 4.148 4.148 4.325 -0.177 17839 293 1 . 1 1 51 51 THR C C 51 175.440 175.440 175.471 -0.031 17839 294 1 . 1 1 51 51 THR CA C 51 63.347 63.347 63.955 -0.608 17839 295 1 . 1 1 51 51 THR CB C 51 69.707 69.707 70.030 -0.323 17839 296 1 . 1 1 51 51 THR H H 51 7.426 7.426 7.634 -0.208 17839 297 1 . 1 1 52 52 PHE N N 52 120.966 120.966 119.628 1.338 17839 298 1 . 1 1 52 52 PHE HA H 52 4.508 4.508 4.294 0.214 17839 299 1 . 1 1 52 52 PHE C C 52 176.816 176.816 175.347 1.469 17839 300 1 . 1 1 52 52 PHE CA C 52 56.960 56.960 58.879 -1.919 17839 301 1 . 1 1 52 52 PHE CB C 52 37.524 37.524 38.009 -0.485 17839 302 1 . 1 1 52 52 PHE H H 52 7.446 7.446 8.432 -0.986 17839 303 1 . 1 1 53 53 THR N N 53 114.357 114.357 113.282 1.075 17839 304 1 . 1 1 53 53 THR HA H 53 4.223 4.223 4.021 0.202 17839 305 1 . 1 1 53 53 THR C C 53 180.987 180.987 174.470 6.517 17839 306 1 . 1 1 53 53 THR CA C 53 58.214 58.214 63.715 -5.501 17839 307 1 . 1 1 53 53 THR CB C 53 70.157 70.157 69.293 0.864 17839 308 1 . 1 1 53 53 THR H H 53 7.953 7.953 7.893 0.060 17839 309 1 . 1 1 54 54 VAL N N 54 122.097 122.097 119.274 2.823 17839 310 1 . 1 1 54 54 VAL HA H 54 4.102 4.102 4.185 -0.083 17839 311 1 . 1 1 54 54 VAL C C 54 179.509 179.509 175.456 4.053 17839 312 1 . 1 1 54 54 VAL CA C 54 62.553 62.553 62.489 0.064 17839 313 1 . 1 1 54 54 VAL CB C 54 32.722 32.722 32.598 0.124 17839 314 1 . 1 1 54 54 VAL H H 54 8.045 8.045 8.087 -0.042 17839 315 1 . 1 1 55 55 THR N N 55 118.590 118.590 116.470 2.120 17839 316 1 . 1 1 55 55 THR HA H 55 4.235 4.235 4.529 -0.294 17839 317 1 . 1 1 55 55 THR CA C 55 61.732 61.732 62.140 -0.408 17839 318 1 . 1 1 55 55 THR CB C 55 69.869 69.869 69.766 0.103 17839 319 1 . 1 1 55 55 THR H H 55 8.209 8.209 8.137 0.072 17839 stop_ save_