data_19003 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19003 _Entry.PDB_ID 2M4H 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 19003 _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 11 11 THR N N 11 114.405 114.405 115.027 -0.622 19003 2 1 1 . 1 1 11 11 THR HA H 11 4.246 4.246 3.914 0.332 19003 3 1 1 . 1 1 11 11 THR C C 11 174.586 174.586 173.440 1.146 19003 4 1 1 . 1 1 11 11 THR CA C 11 62.246 62.246 63.005 -0.759 19003 5 1 1 . 1 1 11 11 THR CB C 11 69.310 69.310 69.547 -0.237 19003 6 1 1 . 1 1 12 12 TYR N N 12 123.008 123.008 116.974 6.034 19003 7 1 1 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.694 -0.299 19003 8 1 1 . 1 1 12 12 TYR C C 12 176.070 176.070 173.705 2.365 19003 9 1 1 . 1 1 12 12 TYR CA C 12 58.510 58.510 57.162 1.348 19003 10 1 1 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.086 -1.502 19003 11 1 1 . 1 1 12 12 TYR H H 12 8.274 8.274 7.819 0.455 19003 12 1 1 . 1 1 13 13 ARG N N 13 123.852 123.852 119.336 4.516 19003 13 1 1 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.386 -0.136 19003 14 1 1 . 1 1 13 13 ARG C C 13 176.829 176.829 176.366 0.463 19003 15 1 1 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.873 0.502 19003 16 1 1 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.803 -2.314 19003 17 1 1 . 1 1 13 13 ARG H H 13 8.371 8.371 8.597 -0.226 19003 18 1 1 . 1 1 14 14 GLY N N 14 108.394 108.394 114.265 -5.871 19003 19 1 1 . 1 1 14 14 GLY C C 14 173.911 173.911 174.967 -1.056 19003 20 1 1 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.233 -1.066 19003 21 1 1 . 1 1 14 14 GLY H H 14 7.646 7.646 8.741 -1.095 19003 22 1 1 . 1 1 15 15 ARG N N 15 121.238 121.238 124.231 -2.993 19003 23 1 1 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.243 0.023 19003 24 1 1 . 1 1 15 15 ARG C C 15 177.053 177.053 176.688 0.365 19003 25 1 1 . 1 1 15 15 ARG CA C 15 56.286 56.286 53.887 2.399 19003 26 1 1 . 1 1 15 15 ARG CB C 15 30.578 30.578 28.040 2.538 19003 27 1 1 . 1 1 15 15 ARG H H 15 8.568 8.568 7.580 0.988 19003 28 1 1 . 1 1 16 16 GLY N N 16 110.085 110.085 108.635 1.450 19003 29 1 1 . 1 1 16 16 GLY C C 16 173.911 173.911 175.012 -1.101 19003 30 1 1 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.285 0.238 19003 31 1 1 . 1 1 16 16 GLY H H 16 8.525 8.525 7.807 0.718 19003 32 1 1 . 1 1 17 17 VAL N N 17 119.300 119.300 115.429 3.871 19003 33 1 1 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.944 0.105 19003 34 1 1 . 1 1 17 17 VAL C C 17 175.147 175.147 176.684 -1.537 19003 35 1 1 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.580 -1.690 19003 36 1 1 . 1 1 17 17 VAL CB C 17 32.713 32.713 31.918 0.795 19003 37 1 1 . 1 1 18 18 ALA N N 18 128.131 128.131 130.395 -2.264 19003 38 1 1 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.022 0.312 19003 39 1 1 . 1 1 18 18 ALA C C 18 177.082 177.082 176.662 0.420 19003 40 1 1 . 1 1 18 18 ALA CA C 18 52.016 52.016 52.029 -0.013 19003 41 1 1 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.909 0.105 19003 42 1 1 . 1 1 18 18 ALA H H 18 8.367 8.367 8.372 -0.005 19003 43 1 1 . 1 1 19 19 LEU N N 19 122.503 122.503 117.589 4.914 19003 44 1 1 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.126 0.512 19003 45 1 1 . 1 1 19 19 LEU C C 19 177.058 177.058 176.313 0.745 19003 46 1 1 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.656 -1.060 19003 47 1 1 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.178 1.654 19003 48 1 1 . 1 1 19 19 LEU H H 19 8.160 8.160 7.715 0.445 19003 49 1 1 . 1 1 20 20 THR N N 20 115.199 115.199 114.440 0.759 19003 50 1 1 . 1 1 20 20 THR HA H 20 4.524 4.524 4.309 0.215 19003 51 1 1 . 1 1 20 20 THR C C 20 177.950 177.950 175.649 2.301 19003 52 1 1 . 1 1 20 20 THR CA C 20 61.001 61.001 62.626 -1.625 19003 53 1 1 . 1 1 20 20 THR CB C 20 70.697 70.697 70.163 0.534 19003 54 1 1 . 1 1 21 21 ASP N N 21 121.413 121.413 123.575 -2.162 19003 55 1 1 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.402 0.114 19003 56 1 1 . 1 1 21 21 ASP C C 21 178.378 178.378 178.109 0.269 19003 57 1 1 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.469 -0.671 19003 58 1 1 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.053 -1.135 19003 59 1 1 . 1 1 21 21 ASP H H 21 8.962 8.962 8.845 0.117 19003 60 1 1 . 1 1 22 22 ASP N N 22 117.981 117.981 119.444 -1.463 19003 61 1 1 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.489 0.067 19003 62 1 1 . 1 1 22 22 ASP C C 22 178.869 178.869 178.437 0.432 19003 63 1 1 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.846 -0.138 19003 64 1 1 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.892 -0.618 19003 65 1 1 . 1 1 22 22 ASP H H 22 8.467 8.467 8.169 0.298 19003 66 1 1 . 1 1 23 23 GLU N N 23 120.900 120.900 120.396 0.504 19003 67 1 1 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.284 -0.106 19003 68 1 1 . 1 1 23 23 GLU C C 23 178.452 178.452 178.828 -0.376 19003 69 1 1 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.363 0.304 19003 70 1 1 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.415 1.273 19003 71 1 1 . 1 1 23 23 GLU H H 23 7.933 7.933 8.717 -0.784 19003 72 1 1 . 1 1 24 24 TYR N N 24 119.764 119.764 120.348 -0.584 19003 73 1 1 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.953 0.370 19003 74 1 1 . 1 1 24 24 TYR C C 24 177.589 177.589 177.640 -0.051 19003 75 1 1 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.888 0.610 19003 76 1 1 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.494 -0.015 19003 77 1 1 . 1 1 24 24 TYR H H 24 8.539 8.539 7.746 0.793 19003 78 1 1 . 1 1 25 25 ASP N N 25 119.296 119.296 118.439 0.857 19003 79 1 1 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.438 0.038 19003 80 1 1 . 1 1 25 25 ASP C C 25 179.078 179.078 178.961 0.117 19003 81 1 1 . 1 1 25 25 ASP CA C 25 57.532 57.532 58.012 -0.480 19003 82 1 1 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.649 -0.468 19003 83 1 1 . 1 1 25 25 ASP H H 25 8.369 8.369 7.962 0.407 19003 84 1 1 . 1 1 26 26 GLU N N 26 121.770 121.770 119.234 2.536 19003 85 1 1 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.339 -0.134 19003 86 1 1 . 1 1 26 26 GLU C C 26 177.514 177.514 178.638 -1.124 19003 87 1 1 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.304 1.095 19003 88 1 1 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.413 1.364 19003 89 1 1 . 1 1 26 26 GLU H H 26 8.356 8.356 8.591 -0.235 19003 90 1 1 . 1 1 27 27 TRP N N 27 122.248 122.248 122.142 0.106 19003 91 1 1 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.078 0.100 19003 92 1 1 . 1 1 27 27 TRP C C 27 177.873 177.873 177.220 0.653 19003 93 1 1 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.798 -0.913 19003 94 1 1 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.312 2.266 19003 95 1 1 . 1 1 27 27 TRP H H 27 8.314 8.314 8.139 0.175 19003 96 1 1 . 1 1 28 28 ARG N N 28 117.274 117.274 117.573 -0.299 19003 97 1 1 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.095 -0.025 19003 98 1 1 . 1 1 28 28 ARG C C 28 179.775 179.775 178.433 1.342 19003 99 1 1 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.392 -0.970 19003 100 1 1 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.412 0.322 19003 101 1 1 . 1 1 28 28 ARG H H 28 7.974 7.974 7.317 0.657 19003 102 1 1 . 1 1 29 29 GLU N N 29 121.770 121.770 119.924 1.846 19003 103 1 1 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.103 -0.054 19003 104 1 1 . 1 1 29 29 GLU C C 29 178.720 178.720 178.186 0.534 19003 105 1 1 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.151 -0.196 19003 106 1 1 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.799 -0.288 19003 107 1 1 . 1 1 29 29 GLU H H 29 8.591 8.591 7.639 0.952 19003 108 1 1 . 1 1 30 30 HIS N N 30 121.863 121.863 119.529 2.334 19003 109 1 1 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.357 -1.222 19003 110 1 1 . 1 1 30 30 HIS C C 30 176.308 176.308 177.523 -1.215 19003 111 1 1 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.441 0.812 19003 112 1 1 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.155 -2.286 19003 113 1 1 . 1 1 30 30 HIS H H 30 8.723 8.723 8.586 0.137 19003 114 1 1 . 1 1 31 31 ASN N N 31 117.257 117.257 117.519 -0.262 19003 115 1 1 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.024 0.032 19003 116 1 1 . 1 1 31 31 ASN C C 31 178.035 178.035 176.861 1.174 19003 117 1 1 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.171 -0.992 19003 118 1 1 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.139 -1.315 19003 119 1 1 . 1 1 31 31 ASN H H 31 7.405 7.405 8.318 -0.913 19003 120 1 1 . 1 1 32 32 ALA N N 32 120.650 120.650 120.977 -0.327 19003 121 1 1 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.941 0.124 19003 122 1 1 . 1 1 32 32 ALA C C 32 180.463 180.463 180.188 0.275 19003 123 1 1 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.954 -0.269 19003 124 1 1 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.315 -0.102 19003 125 1 1 . 1 1 32 32 ALA H H 32 7.905 7.905 7.213 0.692 19003 126 1 1 . 1 1 33 33 SER N N 33 112.890 112.890 115.130 -2.240 19003 127 1 1 . 1 1 33 33 SER HA H 33 4.205 4.205 4.312 -0.107 19003 128 1 1 . 1 1 33 33 SER CA C 33 61.074 61.074 60.912 0.162 19003 129 1 1 . 1 1 33 33 SER CB C 33 63.834 63.834 63.633 0.202 19003 130 1 1 . 1 1 33 33 SER H H 33 8.569 8.569 8.617 -0.048 19003 131 1 1 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.083 0.078 19003 132 1 1 . 1 1 34 34 ARG C C 34 174.641 174.641 175.789 -1.148 19003 133 1 1 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.772 1.247 19003 134 1 1 . 1 1 35 35 LYS N N 35 117.509 117.509 114.940 2.569 19003 135 1 1 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.981 -0.093 19003 136 1 1 . 1 1 35 35 LYS C C 35 175.501 175.501 175.944 -0.443 19003 137 1 1 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.992 0.095 19003 138 1 1 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.409 -0.699 19003 139 1 1 . 1 1 35 35 LYS H H 35 7.492 7.492 7.757 -0.265 19003 140 1 1 . 1 1 36 36 LEU N N 36 118.727 118.727 116.406 2.321 19003 141 1 1 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.573 0.022 19003 142 1 1 . 1 1 36 36 LEU C C 36 175.281 175.281 176.226 -0.945 19003 143 1 1 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.799 -0.008 19003 144 1 1 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.315 3.059 19003 145 1 1 . 1 1 36 36 LEU H H 36 8.165 8.165 7.214 0.951 19003 146 1 1 . 1 1 37 37 ASP N N 37 121.035 121.035 119.694 1.341 19003 147 1 1 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.971 -0.231 19003 148 1 1 . 1 1 37 37 ASP C C 37 175.921 175.921 175.818 0.103 19003 149 1 1 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.290 -0.499 19003 150 1 1 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.309 -0.009 19003 151 1 1 . 1 1 37 37 ASP H H 37 8.403 8.403 8.143 0.260 19003 152 1 1 . 1 1 38 38 LEU N N 38 119.070 119.070 118.289 0.781 19003 153 1 1 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.924 -0.263 19003 154 1 1 . 1 1 38 38 LEU C C 38 180.209 180.209 176.222 3.987 19003 155 1 1 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.773 1.535 19003 156 1 1 . 1 1 38 38 LEU CB C 38 43.210 43.210 44.187 -0.977 19003 157 1 1 . 1 1 38 38 LEU H H 38 7.515 7.515 7.710 -0.195 19003 158 1 1 . 1 1 39 39 SER N N 39 122.093 122.093 116.620 5.473 19003 159 1 1 . 1 1 39 39 SER HA H 39 4.663 4.663 4.917 -0.254 19003 160 1 1 . 1 1 39 39 SER C C 39 174.730 174.730 175.243 -0.513 19003 161 1 1 . 1 1 39 39 SER CA C 39 57.343 57.343 57.370 -0.027 19003 162 1 1 . 1 1 39 39 SER CB C 39 64.879 64.879 64.160 0.719 19003 163 1 1 . 1 1 39 39 SER H H 39 9.706 9.706 8.357 1.349 19003 164 1 1 . 1 1 40 40 VAL N N 40 122.917 122.917 123.090 -0.173 19003 165 1 1 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.143 0.525 19003 166 1 1 . 1 1 40 40 VAL C C 40 177.187 177.187 177.077 0.110 19003 167 1 1 . 1 1 40 40 VAL CA C 40 66.372 66.372 66.030 0.342 19003 168 1 1 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.924 -0.071 19003 169 1 1 . 1 1 41 41 GLU N N 41 118.661 118.661 119.742 -1.081 19003 170 1 1 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.738 0.077 19003 171 1 1 . 1 1 41 41 GLU C C 41 179.108 179.108 178.095 1.013 19003 172 1 1 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.584 0.150 19003 173 1 1 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.623 0.265 19003 174 1 1 . 1 1 41 41 GLU H H 41 8.725 8.725 8.688 0.037 19003 175 1 1 . 1 1 42 42 ASP N N 42 120.291 120.291 118.556 1.735 19003 176 1 1 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.296 0.128 19003 177 1 1 . 1 1 42 42 ASP C C 42 179.703 179.703 178.379 1.324 19003 178 1 1 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.325 0.118 19003 179 1 1 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.322 -0.315 19003 180 1 1 . 1 1 42 42 ASP H H 42 7.979 7.979 8.277 -0.298 19003 181 1 1 . 1 1 43 43 PHE N N 43 123.091 123.091 121.366 1.725 19003 182 1 1 . 1 1 43 43 PHE HA H 43 4.010 4.010 3.976 0.034 19003 183 1 1 . 1 1 43 43 PHE C C 43 175.459 175.459 176.716 -1.257 19003 184 1 1 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.224 -0.076 19003 185 1 1 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.141 0.592 19003 186 1 1 . 1 1 43 43 PHE H H 43 8.656 8.656 7.488 1.168 19003 187 1 1 . 1 1 44 44 LEU N N 44 119.965 119.965 118.590 1.375 19003 188 1 1 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.668 -0.238 19003 189 1 1 . 1 1 44 44 LEU C C 44 180.537 180.537 178.956 1.581 19003 190 1 1 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.839 -0.123 19003 191 1 1 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.693 0.532 19003 192 1 1 . 1 1 44 44 LEU H H 44 8.702 8.702 8.730 -0.028 19003 193 1 1 . 1 1 45 45 MET N N 45 118.100 118.100 118.244 -0.144 19003 194 1 1 . 1 1 45 45 MET HA H 45 4.117 4.117 3.982 0.135 19003 195 1 1 . 1 1 45 45 MET C C 45 178.274 178.274 178.770 -0.496 19003 196 1 1 . 1 1 45 45 MET CA C 45 58.421 58.421 59.238 -0.817 19003 197 1 1 . 1 1 45 45 MET CB C 45 32.268 32.268 32.635 -0.367 19003 198 1 1 . 1 1 45 45 MET H H 45 7.829 7.829 7.912 -0.083 19003 199 1 1 . 1 1 46 46 LEU N N 46 123.359 123.359 118.907 4.452 19003 200 1 1 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.649 0.193 19003 201 1 1 . 1 1 46 46 LEU C C 46 176.531 176.531 178.840 -2.309 19003 202 1 1 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.667 -0.049 19003 203 1 1 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.418 1.375 19003 204 1 1 . 1 1 46 46 LEU H H 46 7.659 7.659 7.959 -0.300 19003 205 1 1 . 1 1 47 47 ARG N N 47 118.271 118.271 116.308 1.963 19003 206 1 1 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.944 -1.193 19003 207 1 1 . 1 1 47 47 ARG C C 47 178.363 178.363 178.292 0.071 19003 208 1 1 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.706 -0.702 19003 209 1 1 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.091 1.016 19003 210 1 1 . 1 1 47 47 ARG H H 47 7.955 7.955 7.752 0.203 19003 211 1 1 . 1 1 48 48 HIS N N 48 117.915 117.915 121.015 -3.100 19003 212 1 1 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.099 0.126 19003 213 1 1 . 1 1 48 48 HIS C C 48 177.097 177.097 177.683 -0.586 19003 214 1 1 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.207 0.104 19003 215 1 1 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.879 0.699 19003 216 1 1 . 1 1 48 48 HIS H H 48 7.609 7.609 8.250 -0.641 19003 217 1 1 . 1 1 49 49 ARG N N 49 116.831 116.831 117.995 -1.164 19003 218 1 1 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.923 0.055 19003 219 1 1 . 1 1 49 49 ARG C C 49 179.242 179.242 178.762 0.480 19003 220 1 1 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.508 -0.449 19003 221 1 1 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.000 -1.310 19003 222 1 1 . 1 1 49 49 ARG H H 49 7.980 7.980 8.647 -0.667 19003 223 1 1 . 1 1 50 50 ALA N N 50 122.916 122.916 122.733 0.183 19003 224 1 1 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.147 -0.167 19003 225 1 1 . 1 1 50 50 ALA C C 50 181.207 181.207 179.319 1.888 19003 226 1 1 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.756 0.285 19003 227 1 1 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.455 0.737 19003 228 1 1 . 1 1 50 50 ALA H H 50 8.734 8.734 7.674 1.060 19003 229 1 1 . 1 1 51 51 ALA N N 51 122.005 122.005 121.038 0.967 19003 230 1 1 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.159 -0.046 19003 231 1 1 . 1 1 51 51 ALA C C 51 179.033 179.033 179.240 -0.207 19003 232 1 1 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.457 0.125 19003 233 1 1 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.818 -0.799 19003 234 1 1 . 1 1 51 51 ALA H H 51 7.861 7.861 8.161 -0.300 19003 235 1 1 . 1 1 52 52 LEU N N 52 117.205 117.205 117.488 -0.283 19003 236 1 1 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.211 0.047 19003 237 1 1 . 1 1 52 52 LEU C C 52 177.842 177.842 178.201 -0.359 19003 238 1 1 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.243 -1.620 19003 239 1 1 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.590 -0.981 19003 240 1 1 . 1 1 52 52 LEU H H 52 7.277 7.277 8.233 -0.956 19003 241 1 1 . 1 1 53 53 GLY N N 53 105.824 105.824 103.232 2.592 19003 242 1 1 . 1 1 53 53 GLY C C 53 174.745 174.745 172.992 1.753 19003 243 1 1 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.975 0.548 19003 244 1 1 . 1 1 53 53 GLY H H 53 7.616 7.616 7.726 -0.110 19003 245 1 1 . 1 1 54 54 ALA N N 54 122.086 122.086 123.060 -0.974 19003 246 1 1 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.695 -0.468 19003 247 1 1 . 1 1 54 54 ALA C C 54 178.035 178.035 175.525 2.510 19003 248 1 1 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.029 2.411 19003 249 1 1 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.422 -1.697 19003 250 1 1 . 1 1 54 54 ALA H H 54 7.637 7.637 8.074 -0.437 19003 251 1 1 . 1 1 55 55 ASP N N 55 118.303 118.303 121.361 -3.058 19003 252 1 1 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.759 -0.013 19003 253 1 1 . 1 1 55 55 ASP C C 55 176.129 176.129 174.998 1.131 19003 254 1 1 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.477 -0.482 19003 255 1 1 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.380 -1.038 19003 256 1 1 . 1 1 55 55 ASP H H 55 8.540 8.540 8.458 0.082 19003 257 1 1 . 1 1 56 56 ASP N N 56 116.381 116.381 121.558 -5.177 19003 258 1 1 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.548 0.065 19003 259 1 1 . 1 1 56 56 ASP C C 56 175.638 175.638 177.742 -2.104 19003 260 1 1 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.442 -0.913 19003 261 1 1 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.070 -0.017 19003 262 1 1 . 1 1 56 56 ASP H H 56 7.469 7.469 8.021 -0.552 19003 263 1 1 . 1 1 57 57 ASN N N 57 118.913 118.913 124.966 -6.053 19003 264 1 1 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.340 -0.009 19003 265 1 1 . 1 1 57 57 ASN C C 57 176.963 176.963 176.783 0.180 19003 266 1 1 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.290 1.064 19003 267 1 1 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.014 1.282 19003 268 1 1 . 1 1 57 57 ASN H H 57 9.033 9.033 8.849 0.184 19003 269 1 1 . 1 1 58 58 ASP N N 58 117.610 117.610 121.477 -3.867 19003 270 1 1 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.432 0.053 19003 271 1 1 . 1 1 58 58 ASP C C 58 178.944 178.944 178.075 0.869 19003 272 1 1 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.563 0.058 19003 273 1 1 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.505 -0.498 19003 274 1 1 . 1 1 58 58 ASP H H 58 8.519 8.519 8.247 0.272 19003 275 1 1 . 1 1 59 59 ALA N N 59 126.800 126.800 121.706 5.094 19003 276 1 1 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.062 -0.084 19003 277 1 1 . 1 1 59 59 ALA C C 59 178.974 178.974 179.380 -0.406 19003 278 1 1 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.215 0.537 19003 279 1 1 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.611 0.492 19003 280 1 1 . 1 1 59 59 ALA H H 59 8.067 8.067 7.765 0.302 19003 281 1 1 . 1 1 60 60 VAL N N 60 119.673 119.673 116.850 2.823 19003 282 1 1 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.796 -0.207 19003 283 1 1 . 1 1 60 60 VAL C C 60 179.934 179.934 177.449 2.485 19003 284 1 1 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.749 0.996 19003 285 1 1 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.284 0.837 19003 286 1 1 . 1 1 61 61 LYS N N 61 119.673 119.673 121.361 -1.688 19003 287 1 1 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.089 0.113 19003 288 1 1 . 1 1 61 61 LYS C C 61 180.135 180.135 179.066 1.069 19003 289 1 1 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.446 -0.009 19003 290 1 1 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.098 0.259 19003 291 1 1 . 1 1 61 61 LYS H H 61 8.383 8.383 8.459 -0.076 19003 292 1 1 . 1 1 62 62 PHE N N 62 122.324 122.324 122.448 -0.124 19003 293 1 1 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.289 0.045 19003 294 1 1 . 1 1 62 62 PHE C C 62 177.038 177.038 176.968 0.070 19003 295 1 1 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.400 1.291 19003 296 1 1 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.376 -0.169 19003 297 1 1 . 1 1 62 62 PHE H H 62 8.510 8.510 8.377 0.133 19003 298 1 1 . 1 1 63 63 ARG N N 63 119.741 119.741 120.096 -0.355 19003 299 1 1 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.918 0.156 19003 300 1 1 . 1 1 63 63 ARG C C 63 178.586 178.586 178.502 0.084 19003 301 1 1 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.533 1.645 19003 302 1 1 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.618 1.138 19003 303 1 1 . 1 1 63 63 ARG H H 63 8.724 8.724 8.796 -0.072 19003 304 1 1 . 1 1 64 64 SER N N 64 113.962 113.962 115.728 -1.766 19003 305 1 1 . 1 1 64 64 SER HA H 64 4.324 4.324 4.138 0.186 19003 306 1 1 . 1 1 64 64 SER C C 64 177.297 177.297 176.558 0.739 19003 307 1 1 . 1 1 64 64 SER CA C 64 61.550 61.550 61.854 -0.304 19003 308 1 1 . 1 1 64 64 SER CB C 64 62.316 62.316 63.023 -0.707 19003 309 1 1 . 1 1 64 64 SER H H 64 8.224 8.224 8.597 -0.373 19003 310 1 1 . 1 1 65 65 TRP N N 65 123.490 123.490 123.781 -0.291 19003 311 1 1 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.371 -0.218 19003 312 1 1 . 1 1 65 65 TRP C C 65 178.318 178.318 178.212 0.106 19003 313 1 1 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.602 1.111 19003 314 1 1 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.317 -2.030 19003 315 1 1 . 1 1 65 65 TRP H H 65 8.054 8.054 7.960 0.094 19003 316 1 1 . 1 1 66 66 TRP N N 66 122.351 122.351 120.341 2.010 19003 317 1 1 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.239 -0.151 19003 318 1 1 . 1 1 66 66 TRP C C 66 178.959 178.959 176.632 2.327 19003 319 1 1 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.682 1.571 19003 320 1 1 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.524 -0.014 19003 321 1 1 . 1 1 66 66 TRP H H 66 9.333 9.333 8.807 0.526 19003 322 1 1 . 1 1 67 67 ASN N N 67 115.529 115.529 115.759 -0.230 19003 323 1 1 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.617 -0.241 19003 324 1 1 . 1 1 67 67 ASN C C 67 176.591 176.591 175.454 1.137 19003 325 1 1 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.002 0.306 19003 326 1 1 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.751 -0.256 19003 327 1 1 . 1 1 67 67 ASN H H 67 8.586 8.586 8.414 0.172 19003 328 1 1 . 1 1 68 68 SER N N 68 114.677 114.677 113.815 0.862 19003 329 1 1 . 1 1 68 68 SER HA H 68 4.332 4.332 4.386 -0.054 19003 330 1 1 . 1 1 68 68 SER C C 68 174.581 174.581 174.486 0.095 19003 331 1 1 . 1 1 68 68 SER CA C 68 59.578 59.578 60.082 -0.504 19003 332 1 1 . 1 1 68 68 SER CB C 68 63.670 63.670 63.812 -0.142 19003 333 1 1 . 1 1 68 68 SER H H 68 7.600 7.600 7.456 0.144 19003 334 1 1 . 1 1 69 69 ARG N N 69 121.618 121.618 118.676 2.942 19003 335 1 1 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.402 -0.523 19003 336 1 1 . 1 1 69 69 ARG C C 69 176.963 176.963 176.729 0.234 19003 337 1 1 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.311 -0.224 19003 338 1 1 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.776 -0.820 19003 339 1 1 . 1 1 69 69 ARG H H 69 6.992 6.992 7.244 -0.252 19003 340 1 1 . 1 1 70 70 THR N N 70 114.140 114.140 113.834 0.306 19003 341 1 1 . 1 1 70 70 THR HA H 70 4.030 4.030 4.057 -0.027 19003 342 1 1 . 1 1 70 70 THR C C 70 174.506 174.506 174.076 0.430 19003 343 1 1 . 1 1 70 70 THR CA C 70 62.513 62.513 62.048 0.465 19003 344 1 1 . 1 1 70 70 THR CB C 70 69.378 69.378 69.537 -0.159 19003 345 1 1 . 1 1 71 71 LYS N N 71 123.490 123.490 116.336 7.154 19003 346 1 1 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.850 0.337 19003 347 1 1 . 1 1 71 71 LYS C C 71 176.531 176.531 175.608 0.923 19003 348 1 1 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.897 -0.611 19003 349 1 1 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.593 2.031 19003 350 1 1 . 1 1 71 71 LYS H H 71 8.051 8.051 7.882 0.169 19003 351 1 1 . 1 1 72 72 MET N N 72 121.388 121.388 113.363 8.025 19003 352 1 1 . 1 1 72 72 MET HA H 72 4.376 4.376 4.426 -0.050 19003 353 1 1 . 1 1 72 72 MET C C 72 176.115 176.115 175.303 0.812 19003 354 1 1 . 1 1 72 72 MET CA C 72 55.397 55.397 57.115 -1.718 19003 355 1 1 . 1 1 72 72 MET CB C 72 32.446 32.446 32.154 0.292 19003 356 1 1 . 1 1 72 72 MET H H 72 8.305 8.305 7.233 1.072 19003 357 1 1 . 1 1 73 73 ALA N N 73 124.890 124.890 122.206 2.684 19003 358 1 1 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.835 -0.606 19003 359 1 1 . 1 1 73 73 ALA C C 73 177.499 177.499 177.144 0.355 19003 360 1 1 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.470 1.169 19003 361 1 1 . 1 1 73 73 ALA CB C 73 19.103 19.103 19.960 -0.857 19003 362 1 1 . 1 1 73 73 ALA H H 73 8.272 8.272 8.496 -0.224 19003 363 1 1 . 1 1 74 74 ASN N N 74 117.940 117.940 122.664 -4.724 19003 364 1 1 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.421 0.209 19003 365 1 1 . 1 1 74 74 ASN C C 74 174.893 174.893 174.809 0.084 19003 366 1 1 . 1 1 74 74 ASN CA C 74 53.084 53.084 53.745 -0.661 19003 367 1 1 . 1 1 74 74 ASN CB C 74 39.118 39.118 36.442 2.676 19003 368 1 1 . 1 1 74 74 ASN H H 74 8.408 8.408 9.073 -0.665 19003 369 1 1 . 1 1 75 75 ASP N N 75 120.439 120.439 114.815 5.624 19003 370 1 1 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.237 0.305 19003 371 1 1 . 1 1 75 75 ASP C C 75 175.861 175.861 175.014 0.847 19003 372 1 1 . 1 1 75 75 ASP CA C 75 54.240 54.240 55.675 -1.435 19003 373 1 1 . 1 1 75 75 ASP CB C 75 41.075 41.075 39.772 1.303 19003 374 1 1 . 1 1 75 75 ASP H H 75 8.298 8.298 8.341 -0.043 19003 375 1 2 . 1 1 11 11 THR N N 11 114.405 114.405 113.089 1.316 19003 376 1 2 . 1 1 11 11 THR HA H 11 4.246 4.246 3.973 0.273 19003 377 1 2 . 1 1 11 11 THR C C 11 174.586 174.586 172.862 1.724 19003 378 1 2 . 1 1 11 11 THR CA C 11 62.246 62.246 60.559 1.687 19003 379 1 2 . 1 1 11 11 THR CB C 11 69.310 69.310 70.200 -0.890 19003 380 1 2 . 1 1 12 12 TYR N N 12 123.008 123.008 118.846 4.162 19003 381 1 2 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.857 -0.462 19003 382 1 2 . 1 1 12 12 TYR C C 12 176.070 176.070 174.143 1.927 19003 383 1 2 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.916 1.594 19003 384 1 2 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.865 -2.281 19003 385 1 2 . 1 1 12 12 TYR H H 12 8.274 8.274 8.218 0.056 19003 386 1 2 . 1 1 13 13 ARG N N 13 123.852 123.852 119.213 4.639 19003 387 1 2 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.367 -0.117 19003 388 1 2 . 1 1 13 13 ARG C C 13 176.829 176.829 176.460 0.369 19003 389 1 2 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.879 0.496 19003 390 1 2 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.915 -2.426 19003 391 1 2 . 1 1 13 13 ARG H H 13 8.371 8.371 8.606 -0.235 19003 392 1 2 . 1 1 14 14 GLY N N 14 108.394 108.394 115.049 -6.655 19003 393 1 2 . 1 1 14 14 GLY C C 14 173.911 173.911 174.961 -1.050 19003 394 1 2 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.250 -1.083 19003 395 1 2 . 1 1 14 14 GLY H H 14 7.646 7.646 8.750 -1.104 19003 396 1 2 . 1 1 15 15 ARG N N 15 121.238 121.238 124.546 -3.308 19003 397 1 2 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.230 0.036 19003 398 1 2 . 1 1 15 15 ARG C C 15 177.053 177.053 176.766 0.287 19003 399 1 2 . 1 1 15 15 ARG CA C 15 56.286 56.286 53.944 2.342 19003 400 1 2 . 1 1 15 15 ARG CB C 15 30.578 30.578 28.031 2.547 19003 401 1 2 . 1 1 15 15 ARG H H 15 8.568 8.568 7.621 0.947 19003 402 1 2 . 1 1 16 16 GLY N N 16 110.085 110.085 108.623 1.462 19003 403 1 2 . 1 1 16 16 GLY C C 16 173.911 173.911 175.010 -1.099 19003 404 1 2 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.316 0.207 19003 405 1 2 . 1 1 16 16 GLY H H 16 8.525 8.525 7.925 0.600 19003 406 1 2 . 1 1 17 17 VAL N N 17 119.300 119.300 115.204 4.096 19003 407 1 2 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.977 0.072 19003 408 1 2 . 1 1 17 17 VAL C C 17 175.147 175.147 175.950 -0.803 19003 409 1 2 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.155 -1.265 19003 410 1 2 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.070 0.643 19003 411 1 2 . 1 1 18 18 ALA N N 18 128.131 128.131 128.756 -0.625 19003 412 1 2 . 1 1 18 18 ALA HA H 18 4.334 4.334 3.960 0.374 19003 413 1 2 . 1 1 18 18 ALA C C 18 177.082 177.082 176.654 0.428 19003 414 1 2 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.597 0.419 19003 415 1 2 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.127 -0.113 19003 416 1 2 . 1 1 18 18 ALA H H 18 8.367 8.367 8.271 0.096 19003 417 1 2 . 1 1 19 19 LEU N N 19 122.503 122.503 117.876 4.627 19003 418 1 2 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.118 0.520 19003 419 1 2 . 1 1 19 19 LEU C C 19 177.058 177.058 176.103 0.955 19003 420 1 2 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.346 -0.750 19003 421 1 2 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.469 1.363 19003 422 1 2 . 1 1 19 19 LEU H H 19 8.160 8.160 7.558 0.602 19003 423 1 2 . 1 1 20 20 THR N N 20 115.199 115.199 113.541 1.658 19003 424 1 2 . 1 1 20 20 THR HA H 20 4.524 4.524 4.299 0.225 19003 425 1 2 . 1 1 20 20 THR C C 20 177.950 177.950 175.244 2.706 19003 426 1 2 . 1 1 20 20 THR CA C 20 61.001 61.001 62.413 -1.412 19003 427 1 2 . 1 1 20 20 THR CB C 20 70.697 70.697 69.906 0.791 19003 428 1 2 . 1 1 21 21 ASP N N 21 121.413 121.413 122.634 -1.221 19003 429 1 2 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.392 0.124 19003 430 1 2 . 1 1 21 21 ASP C C 21 178.378 178.378 178.184 0.194 19003 431 1 2 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.308 -0.510 19003 432 1 2 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.197 -1.279 19003 433 1 2 . 1 1 21 21 ASP H H 21 8.962 8.962 8.769 0.193 19003 434 1 2 . 1 1 22 22 ASP N N 22 117.981 117.981 119.356 -1.375 19003 435 1 2 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.542 0.014 19003 436 1 2 . 1 1 22 22 ASP C C 22 178.869 178.869 178.374 0.495 19003 437 1 2 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.274 0.435 19003 438 1 2 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.197 -0.923 19003 439 1 2 . 1 1 22 22 ASP H H 22 8.467 8.467 8.597 -0.130 19003 440 1 2 . 1 1 23 23 GLU N N 23 120.900 120.900 120.066 0.834 19003 441 1 2 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.321 -0.143 19003 442 1 2 . 1 1 23 23 GLU C C 23 178.452 178.452 178.829 -0.377 19003 443 1 2 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.692 -0.025 19003 444 1 2 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.402 1.286 19003 445 1 2 . 1 1 23 23 GLU H H 23 7.933 7.933 8.720 -0.787 19003 446 1 2 . 1 1 24 24 TYR N N 24 119.764 119.764 119.950 -0.186 19003 447 1 2 . 1 1 24 24 TYR HA H 24 4.323 4.323 4.014 0.309 19003 448 1 2 . 1 1 24 24 TYR C C 24 177.589 177.589 177.494 0.095 19003 449 1 2 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.749 0.749 19003 450 1 2 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.639 -0.160 19003 451 1 2 . 1 1 24 24 TYR H H 24 8.539 8.539 7.710 0.829 19003 452 1 2 . 1 1 25 25 ASP N N 25 119.296 119.296 118.372 0.924 19003 453 1 2 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.414 0.062 19003 454 1 2 . 1 1 25 25 ASP C C 25 179.078 179.078 179.001 0.077 19003 455 1 2 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.876 -0.344 19003 456 1 2 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.682 -0.501 19003 457 1 2 . 1 1 25 25 ASP H H 25 8.369 8.369 8.006 0.363 19003 458 1 2 . 1 1 26 26 GLU N N 26 121.770 121.770 120.084 1.686 19003 459 1 2 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.380 -0.175 19003 460 1 2 . 1 1 26 26 GLU C C 26 177.514 177.514 178.518 -1.004 19003 461 1 2 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.273 1.127 19003 462 1 2 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.577 1.200 19003 463 1 2 . 1 1 26 26 GLU H H 26 8.356 8.356 8.559 -0.203 19003 464 1 2 . 1 1 27 27 TRP N N 27 122.248 122.248 121.852 0.396 19003 465 1 2 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.131 0.047 19003 466 1 2 . 1 1 27 27 TRP C C 27 177.873 177.873 177.219 0.654 19003 467 1 2 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.748 -0.863 19003 468 1 2 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.424 2.154 19003 469 1 2 . 1 1 27 27 TRP H H 27 8.314 8.314 8.125 0.189 19003 470 1 2 . 1 1 28 28 ARG N N 28 117.274 117.274 117.244 0.030 19003 471 1 2 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.150 -0.080 19003 472 1 2 . 1 1 28 28 ARG C C 28 179.775 179.775 178.598 1.177 19003 473 1 2 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.308 -0.887 19003 474 1 2 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.391 0.343 19003 475 1 2 . 1 1 28 28 ARG H H 28 7.974 7.974 7.202 0.772 19003 476 1 2 . 1 1 29 29 GLU N N 29 121.770 121.770 119.429 2.341 19003 477 1 2 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.171 -0.122 19003 478 1 2 . 1 1 29 29 GLU C C 29 178.720 178.720 177.825 0.895 19003 479 1 2 . 1 1 29 29 GLU CA C 29 58.955 58.955 58.356 0.599 19003 480 1 2 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.244 0.267 19003 481 1 2 . 1 1 29 29 GLU H H 29 8.591 8.591 7.748 0.843 19003 482 1 2 . 1 1 30 30 HIS N N 30 121.863 121.863 120.266 1.597 19003 483 1 2 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.700 -1.565 19003 484 1 2 . 1 1 30 30 HIS C C 30 176.308 176.308 177.647 -1.339 19003 485 1 2 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.402 0.851 19003 486 1 2 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.442 -2.573 19003 487 1 2 . 1 1 30 30 HIS H H 30 8.723 8.723 8.613 0.110 19003 488 1 2 . 1 1 31 31 ASN N N 31 117.257 117.257 117.630 -0.373 19003 489 1 2 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.136 -0.080 19003 490 1 2 . 1 1 31 31 ASN C C 31 178.035 178.035 176.932 1.103 19003 491 1 2 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.306 -1.127 19003 492 1 2 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.369 -1.546 19003 493 1 2 . 1 1 31 31 ASN H H 31 7.405 7.405 8.296 -0.891 19003 494 1 2 . 1 1 32 32 ALA N N 32 120.650 120.650 121.824 -1.174 19003 495 1 2 . 1 1 32 32 ALA HA H 32 4.065 4.065 4.001 0.064 19003 496 1 2 . 1 1 32 32 ALA C C 32 180.463 180.463 180.356 0.107 19003 497 1 2 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.813 -0.128 19003 498 1 2 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.446 -0.233 19003 499 1 2 . 1 1 32 32 ALA H H 32 7.905 7.905 7.304 0.601 19003 500 1 2 . 1 1 33 33 SER N N 33 112.890 112.890 114.732 -1.842 19003 501 1 2 . 1 1 33 33 SER HA H 33 4.205 4.205 4.313 -0.108 19003 502 1 2 . 1 1 33 33 SER CA C 33 61.074 61.074 61.042 0.032 19003 503 1 2 . 1 1 33 33 SER CB C 33 63.834 63.834 63.610 0.224 19003 504 1 2 . 1 1 33 33 SER H H 33 8.569 8.569 8.821 -0.252 19003 505 1 2 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.238 -0.077 19003 506 1 2 . 1 1 34 34 ARG C C 34 174.641 174.641 175.476 -0.835 19003 507 1 2 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.467 1.552 19003 508 1 2 . 1 1 35 35 LYS N N 35 117.509 117.509 115.732 1.777 19003 509 1 2 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.907 -0.019 19003 510 1 2 . 1 1 35 35 LYS C C 35 175.501 175.501 176.235 -0.734 19003 511 1 2 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.119 -0.032 19003 512 1 2 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.822 -1.111 19003 513 1 2 . 1 1 35 35 LYS H H 35 7.492 7.492 7.760 -0.268 19003 514 1 2 . 1 1 36 36 LEU N N 36 118.727 118.727 115.601 3.126 19003 515 1 2 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.563 0.032 19003 516 1 2 . 1 1 36 36 LEU C C 36 175.281 175.281 176.108 -0.827 19003 517 1 2 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.686 0.105 19003 518 1 2 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.502 2.872 19003 519 1 2 . 1 1 36 36 LEU H H 36 8.165 8.165 7.162 1.003 19003 520 1 2 . 1 1 37 37 ASP N N 37 121.035 121.035 117.737 3.298 19003 521 1 2 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.658 0.082 19003 522 1 2 . 1 1 37 37 ASP C C 37 175.921 175.921 176.088 -0.167 19003 523 1 2 . 1 1 37 37 ASP CA C 37 52.791 52.791 52.968 -0.177 19003 524 1 2 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.490 -0.190 19003 525 1 2 . 1 1 37 37 ASP H H 37 8.403 8.403 8.218 0.185 19003 526 1 2 . 1 1 38 38 LEU N N 38 119.070 119.070 118.214 0.856 19003 527 1 2 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.467 0.194 19003 528 1 2 . 1 1 38 38 LEU C C 38 180.209 180.209 176.783 3.426 19003 529 1 2 . 1 1 38 38 LEU CA C 38 55.308 55.308 55.300 0.008 19003 530 1 2 . 1 1 38 38 LEU CB C 38 43.210 43.210 42.684 0.526 19003 531 1 2 . 1 1 38 38 LEU H H 38 7.515 7.515 7.487 0.028 19003 532 1 2 . 1 1 39 39 SER N N 39 122.093 122.093 117.771 4.322 19003 533 1 2 . 1 1 39 39 SER HA H 39 4.663 4.663 4.910 -0.247 19003 534 1 2 . 1 1 39 39 SER C C 39 174.730 174.730 175.328 -0.598 19003 535 1 2 . 1 1 39 39 SER CA C 39 57.343 57.343 57.683 -0.340 19003 536 1 2 . 1 1 39 39 SER CB C 39 64.879 64.879 64.637 0.242 19003 537 1 2 . 1 1 39 39 SER H H 39 9.706 9.706 8.293 1.413 19003 538 1 2 . 1 1 40 40 VAL N N 40 122.917 122.917 123.101 -0.184 19003 539 1 2 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.318 0.350 19003 540 1 2 . 1 1 40 40 VAL C C 40 177.187 177.187 177.239 -0.052 19003 541 1 2 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.343 1.029 19003 542 1 2 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.762 0.090 19003 543 1 2 . 1 1 41 41 GLU N N 41 118.661 118.661 119.805 -1.144 19003 544 1 2 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.783 0.032 19003 545 1 2 . 1 1 41 41 GLU C C 41 179.108 179.108 178.129 0.979 19003 546 1 2 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.629 0.105 19003 547 1 2 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.835 0.053 19003 548 1 2 . 1 1 41 41 GLU H H 41 8.725 8.725 8.719 0.006 19003 549 1 2 . 1 1 42 42 ASP N N 42 120.291 120.291 118.334 1.957 19003 550 1 2 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.314 0.110 19003 551 1 2 . 1 1 42 42 ASP C C 42 179.703 179.703 178.335 1.368 19003 552 1 2 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.950 -0.507 19003 553 1 2 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.280 -0.273 19003 554 1 2 . 1 1 42 42 ASP H H 42 7.979 7.979 8.523 -0.544 19003 555 1 2 . 1 1 43 43 PHE N N 43 123.091 123.091 120.596 2.495 19003 556 1 2 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.071 -0.061 19003 557 1 2 . 1 1 43 43 PHE C C 43 175.459 175.459 176.294 -0.835 19003 558 1 2 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.853 0.295 19003 559 1 2 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.126 0.607 19003 560 1 2 . 1 1 43 43 PHE H H 43 8.656 8.656 7.221 1.435 19003 561 1 2 . 1 1 44 44 LEU N N 44 119.965 119.965 118.617 1.348 19003 562 1 2 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.606 -0.176 19003 563 1 2 . 1 1 44 44 LEU C C 44 180.537 180.537 178.904 1.633 19003 564 1 2 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.728 -0.013 19003 565 1 2 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.686 0.539 19003 566 1 2 . 1 1 44 44 LEU H H 44 8.702 8.702 8.621 0.081 19003 567 1 2 . 1 1 45 45 MET N N 45 118.100 118.100 118.236 -0.136 19003 568 1 2 . 1 1 45 45 MET HA H 45 4.117 4.117 3.932 0.185 19003 569 1 2 . 1 1 45 45 MET C C 45 178.274 178.274 178.683 -0.409 19003 570 1 2 . 1 1 45 45 MET CA C 45 58.421 58.421 59.251 -0.830 19003 571 1 2 . 1 1 45 45 MET CB C 45 32.268 32.268 32.593 -0.325 19003 572 1 2 . 1 1 45 45 MET H H 45 7.829 7.829 7.933 -0.104 19003 573 1 2 . 1 1 46 46 LEU N N 46 123.359 123.359 118.578 4.781 19003 574 1 2 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.681 0.161 19003 575 1 2 . 1 1 46 46 LEU C C 46 176.531 176.531 178.875 -2.344 19003 576 1 2 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.493 0.125 19003 577 1 2 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.400 1.393 19003 578 1 2 . 1 1 46 46 LEU H H 46 7.659 7.659 7.666 -0.007 19003 579 1 2 . 1 1 47 47 ARG N N 47 118.271 118.271 116.161 2.110 19003 580 1 2 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.759 -1.008 19003 581 1 2 . 1 1 47 47 ARG C C 47 178.363 178.363 178.120 0.243 19003 582 1 2 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.557 -0.553 19003 583 1 2 . 1 1 47 47 ARG CB C 47 30.107 30.107 28.796 1.311 19003 584 1 2 . 1 1 47 47 ARG H H 47 7.955 7.955 7.710 0.245 19003 585 1 2 . 1 1 48 48 HIS N N 48 117.915 117.915 120.406 -2.491 19003 586 1 2 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.050 0.175 19003 587 1 2 . 1 1 48 48 HIS C C 48 177.097 177.097 177.449 -0.352 19003 588 1 2 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.185 0.126 19003 589 1 2 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.903 0.675 19003 590 1 2 . 1 1 48 48 HIS H H 48 7.609 7.609 8.020 -0.411 19003 591 1 2 . 1 1 49 49 ARG N N 49 116.831 116.831 118.121 -1.290 19003 592 1 2 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.886 0.092 19003 593 1 2 . 1 1 49 49 ARG C C 49 179.242 179.242 178.733 0.509 19003 594 1 2 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.539 -0.480 19003 595 1 2 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.951 -1.262 19003 596 1 2 . 1 1 49 49 ARG H H 49 7.980 7.980 8.686 -0.706 19003 597 1 2 . 1 1 50 50 ALA N N 50 122.916 122.916 122.527 0.389 19003 598 1 2 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.169 -0.189 19003 599 1 2 . 1 1 50 50 ALA C C 50 181.207 181.207 179.201 2.006 19003 600 1 2 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.762 0.279 19003 601 1 2 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.473 0.719 19003 602 1 2 . 1 1 50 50 ALA H H 50 8.734 8.734 7.878 0.856 19003 603 1 2 . 1 1 51 51 ALA N N 51 122.005 122.005 119.998 2.007 19003 604 1 2 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.124 -0.011 19003 605 1 2 . 1 1 51 51 ALA C C 51 179.033 179.033 179.329 -0.296 19003 606 1 2 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.364 0.218 19003 607 1 2 . 1 1 51 51 ALA CB C 51 18.019 18.019 19.054 -1.035 19003 608 1 2 . 1 1 51 51 ALA H H 51 7.861 7.861 7.916 -0.055 19003 609 1 2 . 1 1 52 52 LEU N N 52 117.205 117.205 117.210 -0.005 19003 610 1 2 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.195 0.063 19003 611 1 2 . 1 1 52 52 LEU C C 52 177.842 177.842 178.421 -0.579 19003 612 1 2 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.295 -1.672 19003 613 1 2 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.631 -1.022 19003 614 1 2 . 1 1 52 52 LEU H H 52 7.277 7.277 8.285 -1.008 19003 615 1 2 . 1 1 53 53 GLY N N 53 105.824 105.824 103.288 2.536 19003 616 1 2 . 1 1 53 53 GLY C C 53 174.745 174.745 172.997 1.748 19003 617 1 2 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.132 0.391 19003 618 1 2 . 1 1 53 53 GLY H H 53 7.616 7.616 7.719 -0.103 19003 619 1 2 . 1 1 54 54 ALA N N 54 122.086 122.086 123.092 -1.006 19003 620 1 2 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.713 -0.486 19003 621 1 2 . 1 1 54 54 ALA C C 54 178.035 178.035 175.180 2.855 19003 622 1 2 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.488 1.952 19003 623 1 2 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.656 -1.931 19003 624 1 2 . 1 1 54 54 ALA H H 54 7.637 7.637 8.064 -0.427 19003 625 1 2 . 1 1 55 55 ASP N N 55 118.303 118.303 120.983 -2.680 19003 626 1 2 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.759 -0.013 19003 627 1 2 . 1 1 55 55 ASP C C 55 176.129 176.129 175.090 1.039 19003 628 1 2 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.310 -0.315 19003 629 1 2 . 1 1 55 55 ASP CB C 55 41.342 41.342 41.975 -0.633 19003 630 1 2 . 1 1 55 55 ASP H H 55 8.540 8.540 8.512 0.028 19003 631 1 2 . 1 1 56 56 ASP N N 56 116.381 116.381 121.093 -4.712 19003 632 1 2 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.588 0.025 19003 633 1 2 . 1 1 56 56 ASP C C 56 175.638 175.638 177.675 -2.037 19003 634 1 2 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.321 -0.792 19003 635 1 2 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.211 -0.158 19003 636 1 2 . 1 1 56 56 ASP H H 56 7.469 7.469 8.093 -0.624 19003 637 1 2 . 1 1 57 57 ASN N N 57 118.913 118.913 124.770 -5.857 19003 638 1 2 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.339 -0.008 19003 639 1 2 . 1 1 57 57 ASN C C 57 176.963 176.963 176.784 0.179 19003 640 1 2 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.242 1.112 19003 641 1 2 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.177 1.119 19003 642 1 2 . 1 1 57 57 ASN H H 57 9.033 9.033 8.858 0.175 19003 643 1 2 . 1 1 58 58 ASP N N 58 117.610 117.610 120.471 -2.861 19003 644 1 2 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.409 0.076 19003 645 1 2 . 1 1 58 58 ASP C C 58 178.944 178.944 178.148 0.796 19003 646 1 2 . 1 1 58 58 ASP CA C 58 57.621 57.621 56.864 0.757 19003 647 1 2 . 1 1 58 58 ASP CB C 58 40.007 40.007 39.587 0.419 19003 648 1 2 . 1 1 58 58 ASP H H 58 8.519 8.519 8.045 0.474 19003 649 1 2 . 1 1 59 59 ALA N N 59 126.800 126.800 121.818 4.982 19003 650 1 2 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.111 -0.133 19003 651 1 2 . 1 1 59 59 ALA C C 59 178.974 178.974 179.391 -0.417 19003 652 1 2 . 1 1 59 59 ALA CA C 59 55.752 55.752 54.990 0.762 19003 653 1 2 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.611 0.492 19003 654 1 2 . 1 1 59 59 ALA H H 59 8.067 8.067 7.763 0.304 19003 655 1 2 . 1 1 60 60 VAL N N 60 119.673 119.673 116.398 3.275 19003 656 1 2 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.841 -0.252 19003 657 1 2 . 1 1 60 60 VAL C C 60 179.934 179.934 177.320 2.614 19003 658 1 2 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.932 0.813 19003 659 1 2 . 1 1 60 60 VAL CB C 60 32.121 32.121 30.924 1.196 19003 660 1 2 . 1 1 61 61 LYS N N 61 119.673 119.673 120.848 -1.175 19003 661 1 2 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.311 -0.109 19003 662 1 2 . 1 1 61 61 LYS C C 61 180.135 180.135 179.476 0.659 19003 663 1 2 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.170 0.267 19003 664 1 2 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.082 0.275 19003 665 1 2 . 1 1 61 61 LYS H H 61 8.383 8.383 8.630 -0.247 19003 666 1 2 . 1 1 62 62 PHE N N 62 122.324 122.324 122.497 -0.173 19003 667 1 2 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.422 -0.088 19003 668 1 2 . 1 1 62 62 PHE C C 62 177.038 177.038 176.806 0.232 19003 669 1 2 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.172 1.519 19003 670 1 2 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.411 -0.204 19003 671 1 2 . 1 1 62 62 PHE H H 62 8.510 8.510 8.072 0.438 19003 672 1 2 . 1 1 63 63 ARG N N 63 119.741 119.741 120.377 -0.636 19003 673 1 2 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.857 0.217 19003 674 1 2 . 1 1 63 63 ARG C C 63 178.586 178.586 178.590 -0.004 19003 675 1 2 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.745 1.434 19003 676 1 2 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.892 0.864 19003 677 1 2 . 1 1 63 63 ARG H H 63 8.724 8.724 8.915 -0.191 19003 678 1 2 . 1 1 64 64 SER N N 64 113.962 113.962 114.857 -0.895 19003 679 1 2 . 1 1 64 64 SER HA H 64 4.324 4.324 4.174 0.150 19003 680 1 2 . 1 1 64 64 SER C C 64 177.297 177.297 176.226 1.071 19003 681 1 2 . 1 1 64 64 SER CA C 64 61.550 61.550 61.269 0.281 19003 682 1 2 . 1 1 64 64 SER CB C 64 62.316 62.316 62.437 -0.121 19003 683 1 2 . 1 1 64 64 SER H H 64 8.224 8.224 8.345 -0.121 19003 684 1 2 . 1 1 65 65 TRP N N 65 123.490 123.490 123.989 -0.499 19003 685 1 2 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.524 -0.371 19003 686 1 2 . 1 1 65 65 TRP C C 65 178.318 178.318 178.493 -0.175 19003 687 1 2 . 1 1 65 65 TRP CA C 65 61.712 61.712 59.681 2.031 19003 688 1 2 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.508 -2.221 19003 689 1 2 . 1 1 65 65 TRP H H 65 8.054 8.054 7.666 0.388 19003 690 1 2 . 1 1 66 66 TRP N N 66 122.351 122.351 121.581 0.770 19003 691 1 2 . 1 1 66 66 TRP HA H 66 3.088 3.088 2.982 0.106 19003 692 1 2 . 1 1 66 66 TRP C C 66 178.959 178.959 176.602 2.357 19003 693 1 2 . 1 1 66 66 TRP CA C 66 60.253 60.253 59.386 0.867 19003 694 1 2 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.130 0.380 19003 695 1 2 . 1 1 66 66 TRP H H 66 9.333 9.333 8.737 0.596 19003 696 1 2 . 1 1 67 67 ASN N N 67 115.529 115.529 114.970 0.559 19003 697 1 2 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.412 -0.036 19003 698 1 2 . 1 1 67 67 ASN C C 67 176.591 176.591 175.486 1.105 19003 699 1 2 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.168 0.140 19003 700 1 2 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.148 0.347 19003 701 1 2 . 1 1 67 67 ASN H H 67 8.586 8.586 8.221 0.365 19003 702 1 2 . 1 1 68 68 SER N N 68 114.677 114.677 113.085 1.592 19003 703 1 2 . 1 1 68 68 SER HA H 68 4.332 4.332 4.438 -0.106 19003 704 1 2 . 1 1 68 68 SER C C 68 174.581 174.581 174.606 -0.025 19003 705 1 2 . 1 1 68 68 SER CA C 68 59.578 59.578 59.138 0.440 19003 706 1 2 . 1 1 68 68 SER CB C 68 63.670 63.670 63.870 -0.200 19003 707 1 2 . 1 1 68 68 SER H H 68 7.600 7.600 7.609 -0.009 19003 708 1 2 . 1 1 69 69 ARG N N 69 121.618 121.618 118.973 2.645 19003 709 1 2 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.444 -0.565 19003 710 1 2 . 1 1 69 69 ARG C C 69 176.963 176.963 177.450 -0.487 19003 711 1 2 . 1 1 69 69 ARG CA C 69 57.087 57.087 56.960 0.127 19003 712 1 2 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.958 -1.003 19003 713 1 2 . 1 1 69 69 ARG H H 69 6.992 6.992 7.184 -0.192 19003 714 1 2 . 1 1 70 70 THR N N 70 114.140 114.140 113.927 0.213 19003 715 1 2 . 1 1 70 70 THR HA H 70 4.030 4.030 4.064 -0.034 19003 716 1 2 . 1 1 70 70 THR C C 70 174.506 174.506 174.910 -0.404 19003 717 1 2 . 1 1 70 70 THR CA C 70 62.513 62.513 62.748 -0.235 19003 718 1 2 . 1 1 70 70 THR CB C 70 69.378 69.378 69.353 0.025 19003 719 1 2 . 1 1 71 71 LYS N N 71 123.490 123.490 115.582 7.908 19003 720 1 2 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.873 0.314 19003 721 1 2 . 1 1 71 71 LYS C C 71 176.531 176.531 175.649 0.882 19003 722 1 2 . 1 1 71 71 LYS CA C 71 56.286 56.286 57.285 -0.999 19003 723 1 2 . 1 1 71 71 LYS CB C 71 32.624 32.624 31.207 1.417 19003 724 1 2 . 1 1 71 71 LYS H H 71 8.051 8.051 7.682 0.369 19003 725 1 2 . 1 1 72 72 MET N N 72 121.388 121.388 112.130 9.258 19003 726 1 2 . 1 1 72 72 MET HA H 72 4.376 4.376 4.299 0.077 19003 727 1 2 . 1 1 72 72 MET C C 72 176.115 176.115 175.701 0.414 19003 728 1 2 . 1 1 72 72 MET CA C 72 55.397 55.397 57.370 -1.973 19003 729 1 2 . 1 1 72 72 MET CB C 72 32.446 32.446 31.728 0.718 19003 730 1 2 . 1 1 72 72 MET H H 72 8.305 8.305 7.346 0.959 19003 731 1 2 . 1 1 73 73 ALA N N 73 124.890 124.890 121.253 3.637 19003 732 1 2 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.812 -0.583 19003 733 1 2 . 1 1 73 73 ALA C C 73 177.499 177.499 176.940 0.559 19003 734 1 2 . 1 1 73 73 ALA CA C 73 52.639 52.639 50.800 1.839 19003 735 1 2 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.303 -1.200 19003 736 1 2 . 1 1 73 73 ALA H H 73 8.272 8.272 8.551 -0.279 19003 737 1 2 . 1 1 74 74 ASN N N 74 117.940 117.940 118.630 -0.690 19003 738 1 2 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.367 0.263 19003 739 1 2 . 1 1 74 74 ASN C C 74 174.893 174.893 173.971 0.922 19003 740 1 2 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.881 -3.797 19003 741 1 2 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.648 1.470 19003 742 1 2 . 1 1 74 74 ASN H H 74 8.408 8.408 8.749 -0.341 19003 743 1 2 . 1 1 75 75 ASP N N 75 120.439 120.439 116.897 3.542 19003 744 1 2 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.686 -0.144 19003 745 1 2 . 1 1 75 75 ASP C C 75 175.861 175.861 175.220 0.641 19003 746 1 2 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.070 1.170 19003 747 1 2 . 1 1 75 75 ASP CB C 75 41.075 41.075 41.659 -0.584 19003 748 1 2 . 1 1 75 75 ASP H H 75 8.298 8.298 7.689 0.609 19003 749 1 3 . 1 1 11 11 THR N N 11 114.405 114.405 113.683 0.722 19003 750 1 3 . 1 1 11 11 THR HA H 11 4.246 4.246 4.093 0.153 19003 751 1 3 . 1 1 11 11 THR C C 11 174.586 174.586 172.349 2.237 19003 752 1 3 . 1 1 11 11 THR CA C 11 62.246 62.246 61.166 1.080 19003 753 1 3 . 1 1 11 11 THR CB C 11 69.310 69.310 70.628 -1.318 19003 754 1 3 . 1 1 12 12 TYR N N 12 123.008 123.008 119.703 3.305 19003 755 1 3 . 1 1 12 12 TYR HA H 12 4.395 4.395 5.046 -0.651 19003 756 1 3 . 1 1 12 12 TYR C C 12 176.070 176.070 174.160 1.910 19003 757 1 3 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.975 1.535 19003 758 1 3 . 1 1 12 12 TYR CB C 12 38.584 38.584 41.119 -2.535 19003 759 1 3 . 1 1 12 12 TYR H H 12 8.274 8.274 8.006 0.268 19003 760 1 3 . 1 1 13 13 ARG N N 13 123.852 123.852 119.729 4.123 19003 761 1 3 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.375 -0.125 19003 762 1 3 . 1 1 13 13 ARG C C 13 176.829 176.829 175.297 1.532 19003 763 1 3 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.873 0.502 19003 764 1 3 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.462 -1.973 19003 765 1 3 . 1 1 13 13 ARG H H 13 8.371 8.371 8.748 -0.377 19003 766 1 3 . 1 1 14 14 GLY N N 14 108.394 108.394 110.832 -2.438 19003 767 1 3 . 1 1 14 14 GLY C C 14 173.911 173.911 173.882 0.029 19003 768 1 3 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.587 -0.421 19003 769 1 3 . 1 1 14 14 GLY H H 14 7.646 7.646 8.487 -0.841 19003 770 1 3 . 1 1 15 15 ARG N N 15 121.238 121.238 118.281 2.957 19003 771 1 3 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.331 -0.065 19003 772 1 3 . 1 1 15 15 ARG C C 15 177.053 177.053 176.374 0.679 19003 773 1 3 . 1 1 15 15 ARG CA C 15 56.286 56.286 55.146 1.140 19003 774 1 3 . 1 1 15 15 ARG CB C 15 30.578 30.578 30.249 0.329 19003 775 1 3 . 1 1 15 15 ARG H H 15 8.568 8.568 8.130 0.438 19003 776 1 3 . 1 1 16 16 GLY N N 16 110.085 110.085 109.044 1.041 19003 777 1 3 . 1 1 16 16 GLY C C 16 173.911 173.911 174.596 -0.685 19003 778 1 3 . 1 1 16 16 GLY CA C 16 45.523 45.523 44.875 0.648 19003 779 1 3 . 1 1 16 16 GLY H H 16 8.525 8.525 8.077 0.448 19003 780 1 3 . 1 1 17 17 VAL N N 17 119.300 119.300 115.862 3.438 19003 781 1 3 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.025 0.024 19003 782 1 3 . 1 1 17 17 VAL C C 17 175.147 175.147 176.666 -1.519 19003 783 1 3 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.219 -1.329 19003 784 1 3 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.060 0.653 19003 785 1 3 . 1 1 18 18 ALA N N 18 128.131 128.131 130.331 -2.200 19003 786 1 3 . 1 1 18 18 ALA HA H 18 4.334 4.334 3.937 0.397 19003 787 1 3 . 1 1 18 18 ALA C C 18 177.082 177.082 176.626 0.456 19003 788 1 3 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.778 0.238 19003 789 1 3 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.759 0.255 19003 790 1 3 . 1 1 18 18 ALA H H 18 8.367 8.367 8.358 0.009 19003 791 1 3 . 1 1 19 19 LEU N N 19 122.503 122.503 117.425 5.078 19003 792 1 3 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.096 0.542 19003 793 1 3 . 1 1 19 19 LEU C C 19 177.058 177.058 176.343 0.715 19003 794 1 3 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.851 -1.255 19003 795 1 3 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.199 1.633 19003 796 1 3 . 1 1 19 19 LEU H H 19 8.160 8.160 7.673 0.487 19003 797 1 3 . 1 1 20 20 THR N N 20 115.199 115.199 114.844 0.355 19003 798 1 3 . 1 1 20 20 THR HA H 20 4.524 4.524 4.248 0.276 19003 799 1 3 . 1 1 20 20 THR C C 20 177.950 177.950 175.636 2.314 19003 800 1 3 . 1 1 20 20 THR CA C 20 61.001 61.001 61.984 -0.983 19003 801 1 3 . 1 1 20 20 THR CB C 20 70.697 70.697 70.375 0.322 19003 802 1 3 . 1 1 21 21 ASP N N 21 121.413 121.413 122.577 -1.164 19003 803 1 3 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.390 0.126 19003 804 1 3 . 1 1 21 21 ASP C C 21 178.378 178.378 177.915 0.463 19003 805 1 3 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.646 -0.848 19003 806 1 3 . 1 1 21 21 ASP CB C 21 39.918 39.918 40.980 -1.062 19003 807 1 3 . 1 1 21 21 ASP H H 21 8.962 8.962 8.908 0.054 19003 808 1 3 . 1 1 22 22 ASP N N 22 117.981 117.981 120.223 -2.242 19003 809 1 3 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.498 0.058 19003 810 1 3 . 1 1 22 22 ASP C C 22 178.869 178.869 178.370 0.499 19003 811 1 3 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.817 -0.108 19003 812 1 3 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.909 -0.635 19003 813 1 3 . 1 1 22 22 ASP H H 22 8.467 8.467 8.637 -0.170 19003 814 1 3 . 1 1 23 23 GLU N N 23 120.900 120.900 120.340 0.560 19003 815 1 3 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.205 -0.027 19003 816 1 3 . 1 1 23 23 GLU C C 23 178.452 178.452 178.668 -0.216 19003 817 1 3 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.191 0.476 19003 818 1 3 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.745 0.943 19003 819 1 3 . 1 1 23 23 GLU H H 23 7.933 7.933 8.631 -0.698 19003 820 1 3 . 1 1 24 24 TYR N N 24 119.764 119.764 120.402 -0.638 19003 821 1 3 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.889 0.434 19003 822 1 3 . 1 1 24 24 TYR C C 24 177.589 177.589 177.386 0.203 19003 823 1 3 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.730 0.768 19003 824 1 3 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.561 -0.082 19003 825 1 3 . 1 1 24 24 TYR H H 24 8.539 8.539 7.558 0.981 19003 826 1 3 . 1 1 25 25 ASP N N 25 119.296 119.296 118.202 1.094 19003 827 1 3 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.412 0.064 19003 828 1 3 . 1 1 25 25 ASP C C 25 179.078 179.078 178.946 0.132 19003 829 1 3 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.454 0.078 19003 830 1 3 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.870 -0.689 19003 831 1 3 . 1 1 25 25 ASP H H 25 8.369 8.369 7.999 0.370 19003 832 1 3 . 1 1 26 26 GLU N N 26 121.770 121.770 119.097 2.673 19003 833 1 3 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.287 -0.082 19003 834 1 3 . 1 1 26 26 GLU C C 26 177.514 177.514 178.814 -1.300 19003 835 1 3 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.598 0.802 19003 836 1 3 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.475 1.302 19003 837 1 3 . 1 1 26 26 GLU H H 26 8.356 8.356 8.629 -0.273 19003 838 1 3 . 1 1 27 27 TRP N N 27 122.248 122.248 122.046 0.202 19003 839 1 3 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.343 -0.165 19003 840 1 3 . 1 1 27 27 TRP C C 27 177.873 177.873 177.387 0.486 19003 841 1 3 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.946 -1.061 19003 842 1 3 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.504 2.074 19003 843 1 3 . 1 1 27 27 TRP H H 27 8.314 8.314 8.138 0.176 19003 844 1 3 . 1 1 28 28 ARG N N 28 117.274 117.274 117.354 -0.080 19003 845 1 3 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.114 -0.044 19003 846 1 3 . 1 1 28 28 ARG C C 28 179.775 179.775 178.434 1.341 19003 847 1 3 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.394 -0.973 19003 848 1 3 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.451 0.283 19003 849 1 3 . 1 1 28 28 ARG H H 28 7.974 7.974 7.326 0.648 19003 850 1 3 . 1 1 29 29 GLU N N 29 121.770 121.770 119.915 1.855 19003 851 1 3 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.058 -0.009 19003 852 1 3 . 1 1 29 29 GLU C C 29 178.720 178.720 177.770 0.950 19003 853 1 3 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.130 -0.175 19003 854 1 3 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.821 -0.310 19003 855 1 3 . 1 1 29 29 GLU H H 29 8.591 8.591 7.627 0.964 19003 856 1 3 . 1 1 30 30 HIS N N 30 121.863 121.863 120.133 1.730 19003 857 1 3 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.361 -1.226 19003 858 1 3 . 1 1 30 30 HIS C C 30 176.308 176.308 177.510 -1.202 19003 859 1 3 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.157 1.096 19003 860 1 3 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.159 -2.290 19003 861 1 3 . 1 1 30 30 HIS H H 30 8.723 8.723 8.664 0.059 19003 862 1 3 . 1 1 31 31 ASN N N 31 117.257 117.257 117.530 -0.273 19003 863 1 3 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.102 -0.046 19003 864 1 3 . 1 1 31 31 ASN C C 31 178.035 178.035 176.913 1.122 19003 865 1 3 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.379 -1.200 19003 866 1 3 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.303 -1.480 19003 867 1 3 . 1 1 31 31 ASN H H 31 7.405 7.405 8.054 -0.649 19003 868 1 3 . 1 1 32 32 ALA N N 32 120.650 120.650 122.490 -1.840 19003 869 1 3 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.930 0.135 19003 870 1 3 . 1 1 32 32 ALA C C 32 180.463 180.463 179.974 0.489 19003 871 1 3 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.984 -0.299 19003 872 1 3 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.373 -0.160 19003 873 1 3 . 1 1 32 32 ALA H H 32 7.905 7.905 7.283 0.622 19003 874 1 3 . 1 1 33 33 SER N N 33 112.890 112.890 114.602 -1.712 19003 875 1 3 . 1 1 33 33 SER HA H 33 4.205 4.205 4.317 -0.112 19003 876 1 3 . 1 1 33 33 SER CA C 33 61.074 61.074 60.959 0.115 19003 877 1 3 . 1 1 33 33 SER CB C 33 63.834 63.834 63.690 0.144 19003 878 1 3 . 1 1 33 33 SER H H 33 8.569 8.569 8.620 -0.051 19003 879 1 3 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.127 0.034 19003 880 1 3 . 1 1 34 34 ARG C C 34 174.641 174.641 175.543 -0.902 19003 881 1 3 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.132 1.887 19003 882 1 3 . 1 1 35 35 LYS N N 35 117.509 117.509 118.445 -0.936 19003 883 1 3 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.845 0.043 19003 884 1 3 . 1 1 35 35 LYS C C 35 175.501 175.501 175.295 0.206 19003 885 1 3 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.943 0.144 19003 886 1 3 . 1 1 35 35 LYS CB C 35 28.710 28.710 30.198 -1.488 19003 887 1 3 . 1 1 35 35 LYS H H 35 7.492 7.492 7.568 -0.076 19003 888 1 3 . 1 1 36 36 LEU N N 36 118.727 118.727 116.693 2.034 19003 889 1 3 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.702 -0.107 19003 890 1 3 . 1 1 36 36 LEU C C 36 175.281 175.281 175.419 -0.138 19003 891 1 3 . 1 1 36 36 LEU CA C 36 52.791 52.791 53.220 -0.429 19003 892 1 3 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.792 2.582 19003 893 1 3 . 1 1 36 36 LEU H H 36 8.165 8.165 7.678 0.487 19003 894 1 3 . 1 1 37 37 ASP N N 37 121.035 121.035 118.447 2.588 19003 895 1 3 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.750 -0.010 19003 896 1 3 . 1 1 37 37 ASP C C 37 175.921 175.921 175.831 0.090 19003 897 1 3 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.208 -0.417 19003 898 1 3 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.025 0.275 19003 899 1 3 . 1 1 37 37 ASP H H 37 8.403 8.403 8.289 0.114 19003 900 1 3 . 1 1 38 38 LEU N N 38 119.070 119.070 117.552 1.518 19003 901 1 3 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.477 0.184 19003 902 1 3 . 1 1 38 38 LEU C C 38 180.209 180.209 176.621 3.588 19003 903 1 3 . 1 1 38 38 LEU CA C 38 55.308 55.308 55.167 0.141 19003 904 1 3 . 1 1 38 38 LEU CB C 38 43.210 43.210 42.832 0.378 19003 905 1 3 . 1 1 38 38 LEU H H 38 7.515 7.515 7.533 -0.018 19003 906 1 3 . 1 1 39 39 SER N N 39 122.093 122.093 117.059 5.034 19003 907 1 3 . 1 1 39 39 SER HA H 39 4.663 4.663 4.892 -0.229 19003 908 1 3 . 1 1 39 39 SER C C 39 174.730 174.730 175.270 -0.540 19003 909 1 3 . 1 1 39 39 SER CA C 39 57.343 57.343 57.398 -0.055 19003 910 1 3 . 1 1 39 39 SER CB C 39 64.879 64.879 64.154 0.725 19003 911 1 3 . 1 1 39 39 SER H H 39 9.706 9.706 8.275 1.431 19003 912 1 3 . 1 1 40 40 VAL N N 40 122.917 122.917 123.156 -0.239 19003 913 1 3 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.142 0.526 19003 914 1 3 . 1 1 40 40 VAL C C 40 177.187 177.187 176.921 0.266 19003 915 1 3 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.332 1.040 19003 916 1 3 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.219 -0.366 19003 917 1 3 . 1 1 41 41 GLU N N 41 118.661 118.661 118.524 0.137 19003 918 1 3 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.769 0.046 19003 919 1 3 . 1 1 41 41 GLU C C 41 179.108 179.108 177.994 1.114 19003 920 1 3 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.580 0.155 19003 921 1 3 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.317 0.571 19003 922 1 3 . 1 1 41 41 GLU H H 41 8.725 8.725 8.385 0.340 19003 923 1 3 . 1 1 42 42 ASP N N 42 120.291 120.291 118.777 1.514 19003 924 1 3 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.320 0.104 19003 925 1 3 . 1 1 42 42 ASP C C 42 179.703 179.703 178.288 1.415 19003 926 1 3 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.410 0.033 19003 927 1 3 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.276 -0.269 19003 928 1 3 . 1 1 42 42 ASP H H 42 7.979 7.979 8.249 -0.270 19003 929 1 3 . 1 1 43 43 PHE N N 43 123.091 123.091 121.574 1.517 19003 930 1 3 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.058 -0.048 19003 931 1 3 . 1 1 43 43 PHE C C 43 175.459 175.459 176.594 -1.135 19003 932 1 3 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.192 -0.044 19003 933 1 3 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.126 0.607 19003 934 1 3 . 1 1 43 43 PHE H H 43 8.656 8.656 7.583 1.073 19003 935 1 3 . 1 1 44 44 LEU N N 44 119.965 119.965 118.459 1.506 19003 936 1 3 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.810 -0.380 19003 937 1 3 . 1 1 44 44 LEU C C 44 180.537 180.537 179.151 1.386 19003 938 1 3 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.549 0.167 19003 939 1 3 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.883 0.342 19003 940 1 3 . 1 1 44 44 LEU H H 44 8.702 8.702 8.607 0.095 19003 941 1 3 . 1 1 45 45 MET N N 45 118.100 118.100 118.667 -0.567 19003 942 1 3 . 1 1 45 45 MET HA H 45 4.117 4.117 4.009 0.108 19003 943 1 3 . 1 1 45 45 MET C C 45 178.274 178.274 178.650 -0.376 19003 944 1 3 . 1 1 45 45 MET CA C 45 58.421 58.421 59.266 -0.845 19003 945 1 3 . 1 1 45 45 MET CB C 45 32.268 32.268 32.665 -0.397 19003 946 1 3 . 1 1 45 45 MET H H 45 7.829 7.829 7.911 -0.082 19003 947 1 3 . 1 1 46 46 LEU N N 46 123.359 123.359 119.057 4.302 19003 948 1 3 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.687 0.155 19003 949 1 3 . 1 1 46 46 LEU C C 46 176.531 176.531 178.885 -2.354 19003 950 1 3 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.564 0.054 19003 951 1 3 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.475 1.318 19003 952 1 3 . 1 1 46 46 LEU H H 46 7.659 7.659 7.576 0.083 19003 953 1 3 . 1 1 47 47 ARG N N 47 118.271 118.271 117.806 0.465 19003 954 1 3 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.737 -0.986 19003 955 1 3 . 1 1 47 47 ARG C C 47 178.363 178.363 177.854 0.509 19003 956 1 3 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.252 -1.248 19003 957 1 3 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.666 0.441 19003 958 1 3 . 1 1 47 47 ARG H H 47 7.955 7.955 7.640 0.315 19003 959 1 3 . 1 1 48 48 HIS N N 48 117.915 117.915 119.251 -1.336 19003 960 1 3 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.097 0.128 19003 961 1 3 . 1 1 48 48 HIS C C 48 177.097 177.097 177.851 -0.754 19003 962 1 3 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.203 0.108 19003 963 1 3 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.786 0.792 19003 964 1 3 . 1 1 48 48 HIS H H 48 7.609 7.609 7.956 -0.347 19003 965 1 3 . 1 1 49 49 ARG N N 49 116.831 116.831 117.881 -1.050 19003 966 1 3 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.979 -0.001 19003 967 1 3 . 1 1 49 49 ARG C C 49 179.242 179.242 178.661 0.581 19003 968 1 3 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.201 -0.142 19003 969 1 3 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.027 -1.337 19003 970 1 3 . 1 1 49 49 ARG H H 49 7.980 7.980 8.475 -0.495 19003 971 1 3 . 1 1 50 50 ALA N N 50 122.916 122.916 123.181 -0.265 19003 972 1 3 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.179 -0.199 19003 973 1 3 . 1 1 50 50 ALA C C 50 181.207 181.207 179.513 1.694 19003 974 1 3 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.754 0.287 19003 975 1 3 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.455 0.737 19003 976 1 3 . 1 1 50 50 ALA H H 50 8.734 8.734 7.652 1.082 19003 977 1 3 . 1 1 51 51 ALA N N 51 122.005 122.005 121.028 0.977 19003 978 1 3 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.065 0.048 19003 979 1 3 . 1 1 51 51 ALA C C 51 179.033 179.033 179.549 -0.516 19003 980 1 3 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.640 -0.058 19003 981 1 3 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.929 -0.910 19003 982 1 3 . 1 1 51 51 ALA H H 51 7.861 7.861 8.152 -0.291 19003 983 1 3 . 1 1 52 52 LEU N N 52 117.205 117.205 117.022 0.183 19003 984 1 3 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.285 -0.027 19003 985 1 3 . 1 1 52 52 LEU C C 52 177.842 177.842 178.141 -0.299 19003 986 1 3 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.389 -1.766 19003 987 1 3 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.538 -0.929 19003 988 1 3 . 1 1 52 52 LEU H H 52 7.277 7.277 8.744 -1.467 19003 989 1 3 . 1 1 53 53 GLY N N 53 105.824 105.824 103.279 2.545 19003 990 1 3 . 1 1 53 53 GLY C C 53 174.745 174.745 173.105 1.640 19003 991 1 3 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.635 0.888 19003 992 1 3 . 1 1 53 53 GLY H H 53 7.616 7.616 7.714 -0.098 19003 993 1 3 . 1 1 54 54 ALA N N 54 122.086 122.086 122.953 -0.867 19003 994 1 3 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.662 -0.435 19003 995 1 3 . 1 1 54 54 ALA C C 54 178.035 178.035 175.893 2.142 19003 996 1 3 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.282 2.159 19003 997 1 3 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.045 -1.320 19003 998 1 3 . 1 1 54 54 ALA H H 54 7.637 7.637 7.959 -0.322 19003 999 1 3 . 1 1 55 55 ASP N N 55 118.303 118.303 120.703 -2.400 19003 1000 1 3 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.708 0.038 19003 1001 1 3 . 1 1 55 55 ASP C C 55 176.129 176.129 175.209 0.920 19003 1002 1 3 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.662 -0.667 19003 1003 1 3 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.148 -0.806 19003 1004 1 3 . 1 1 55 55 ASP H H 55 8.540 8.540 8.511 0.029 19003 1005 1 3 . 1 1 56 56 ASP N N 56 116.381 116.381 120.632 -4.251 19003 1006 1 3 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.547 0.066 19003 1007 1 3 . 1 1 56 56 ASP C C 56 175.638 175.638 177.535 -1.897 19003 1008 1 3 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.467 -0.938 19003 1009 1 3 . 1 1 56 56 ASP CB C 56 42.053 42.053 41.784 0.269 19003 1010 1 3 . 1 1 56 56 ASP H H 56 7.469 7.469 8.008 -0.539 19003 1011 1 3 . 1 1 57 57 ASN N N 57 118.913 118.913 125.196 -6.283 19003 1012 1 3 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.292 0.039 19003 1013 1 3 . 1 1 57 57 ASN C C 57 176.963 176.963 176.631 0.332 19003 1014 1 3 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.408 0.945 19003 1015 1 3 . 1 1 57 57 ASN CB C 57 39.296 39.296 37.995 1.301 19003 1016 1 3 . 1 1 57 57 ASN H H 57 9.033 9.033 8.860 0.173 19003 1017 1 3 . 1 1 58 58 ASP N N 58 117.610 117.610 121.976 -4.366 19003 1018 1 3 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.432 0.053 19003 1019 1 3 . 1 1 58 58 ASP C C 58 178.944 178.944 178.162 0.782 19003 1020 1 3 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.314 0.307 19003 1021 1 3 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.477 -0.470 19003 1022 1 3 . 1 1 58 58 ASP H H 58 8.519 8.519 8.039 0.480 19003 1023 1 3 . 1 1 59 59 ALA N N 59 126.800 126.800 121.898 4.902 19003 1024 1 3 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.114 -0.136 19003 1025 1 3 . 1 1 59 59 ALA C C 59 178.974 178.974 179.297 -0.323 19003 1026 1 3 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.218 0.534 19003 1027 1 3 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.554 0.549 19003 1028 1 3 . 1 1 59 59 ALA H H 59 8.067 8.067 8.253 -0.186 19003 1029 1 3 . 1 1 60 60 VAL N N 60 119.673 119.673 117.108 2.565 19003 1030 1 3 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.779 -0.190 19003 1031 1 3 . 1 1 60 60 VAL C C 60 179.934 179.934 177.520 2.414 19003 1032 1 3 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.835 0.910 19003 1033 1 3 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.216 0.905 19003 1034 1 3 . 1 1 61 61 LYS N N 61 119.673 119.673 121.478 -1.805 19003 1035 1 3 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.070 0.132 19003 1036 1 3 . 1 1 61 61 LYS C C 61 180.135 180.135 178.899 1.236 19003 1037 1 3 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.514 -0.077 19003 1038 1 3 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.088 0.269 19003 1039 1 3 . 1 1 61 61 LYS H H 61 8.383 8.383 8.493 -0.110 19003 1040 1 3 . 1 1 62 62 PHE N N 62 122.324 122.324 122.408 -0.084 19003 1041 1 3 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.249 0.085 19003 1042 1 3 . 1 1 62 62 PHE C C 62 177.038 177.038 177.000 0.038 19003 1043 1 3 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.552 1.139 19003 1044 1 3 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.282 -0.075 19003 1045 1 3 . 1 1 62 62 PHE H H 62 8.510 8.510 8.168 0.342 19003 1046 1 3 . 1 1 63 63 ARG N N 63 119.741 119.741 119.926 -0.185 19003 1047 1 3 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.905 0.169 19003 1048 1 3 . 1 1 63 63 ARG C C 63 178.586 178.586 178.491 0.095 19003 1049 1 3 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.346 1.833 19003 1050 1 3 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.540 1.216 19003 1051 1 3 . 1 1 63 63 ARG H H 63 8.724 8.724 8.849 -0.125 19003 1052 1 3 . 1 1 64 64 SER N N 64 113.962 113.962 115.391 -1.429 19003 1053 1 3 . 1 1 64 64 SER HA H 64 4.324 4.324 4.220 0.104 19003 1054 1 3 . 1 1 64 64 SER C C 64 177.297 177.297 176.413 0.884 19003 1055 1 3 . 1 1 64 64 SER CA C 64 61.550 61.550 62.133 -0.583 19003 1056 1 3 . 1 1 64 64 SER CB C 64 62.316 62.316 62.823 -0.507 19003 1057 1 3 . 1 1 64 64 SER H H 64 8.224 8.224 8.529 -0.305 19003 1058 1 3 . 1 1 65 65 TRP N N 65 123.490 123.490 123.021 0.469 19003 1059 1 3 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.453 -0.300 19003 1060 1 3 . 1 1 65 65 TRP C C 65 178.318 178.318 178.624 -0.306 19003 1061 1 3 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.522 1.190 19003 1062 1 3 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.535 -2.248 19003 1063 1 3 . 1 1 65 65 TRP H H 65 8.054 8.054 8.276 -0.222 19003 1064 1 3 . 1 1 66 66 TRP N N 66 122.351 122.351 120.408 1.943 19003 1065 1 3 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.169 -0.081 19003 1066 1 3 . 1 1 66 66 TRP C C 66 178.959 178.959 176.418 2.541 19003 1067 1 3 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.795 1.458 19003 1068 1 3 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.486 0.024 19003 1069 1 3 . 1 1 66 66 TRP H H 66 9.333 9.333 8.853 0.480 19003 1070 1 3 . 1 1 67 67 ASN N N 67 115.529 115.529 115.731 -0.202 19003 1071 1 3 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.599 -0.223 19003 1072 1 3 . 1 1 67 67 ASN C C 67 176.591 176.591 175.286 1.305 19003 1073 1 3 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.780 0.528 19003 1074 1 3 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.534 -0.039 19003 1075 1 3 . 1 1 67 67 ASN H H 67 8.586 8.586 8.350 0.236 19003 1076 1 3 . 1 1 68 68 SER N N 68 114.677 114.677 114.054 0.623 19003 1077 1 3 . 1 1 68 68 SER HA H 68 4.332 4.332 4.383 -0.051 19003 1078 1 3 . 1 1 68 68 SER C C 68 174.581 174.581 174.406 0.175 19003 1079 1 3 . 1 1 68 68 SER CA C 68 59.578 59.578 60.097 -0.519 19003 1080 1 3 . 1 1 68 68 SER CB C 68 63.670 63.670 63.806 -0.136 19003 1081 1 3 . 1 1 68 68 SER H H 68 7.600 7.600 7.509 0.091 19003 1082 1 3 . 1 1 69 69 ARG N N 69 121.618 121.618 119.198 2.420 19003 1083 1 3 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.381 -0.502 19003 1084 1 3 . 1 1 69 69 ARG C C 69 176.963 176.963 177.220 -0.257 19003 1085 1 3 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.318 -0.231 19003 1086 1 3 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.666 -0.711 19003 1087 1 3 . 1 1 69 69 ARG H H 69 6.992 6.992 7.025 -0.033 19003 1088 1 3 . 1 1 70 70 THR N N 70 114.140 114.140 114.476 -0.336 19003 1089 1 3 . 1 1 70 70 THR HA H 70 4.030 4.030 3.983 0.047 19003 1090 1 3 . 1 1 70 70 THR C C 70 174.506 174.506 174.618 -0.112 19003 1091 1 3 . 1 1 70 70 THR CA C 70 62.513 62.513 62.624 -0.111 19003 1092 1 3 . 1 1 70 70 THR CB C 70 69.378 69.378 69.072 0.306 19003 1093 1 3 . 1 1 71 71 LYS N N 71 123.490 123.490 115.836 7.654 19003 1094 1 3 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.842 0.345 19003 1095 1 3 . 1 1 71 71 LYS C C 71 176.531 176.531 175.460 1.071 19003 1096 1 3 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.599 -0.313 19003 1097 1 3 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.766 1.858 19003 1098 1 3 . 1 1 71 71 LYS H H 71 8.051 8.051 7.893 0.158 19003 1099 1 3 . 1 1 72 72 MET N N 72 121.388 121.388 112.528 8.860 19003 1100 1 3 . 1 1 72 72 MET HA H 72 4.376 4.376 4.240 0.136 19003 1101 1 3 . 1 1 72 72 MET C C 72 176.115 176.115 175.473 0.642 19003 1102 1 3 . 1 1 72 72 MET CA C 72 55.397 55.397 57.238 -1.841 19003 1103 1 3 . 1 1 72 72 MET CB C 72 32.446 32.446 32.200 0.246 19003 1104 1 3 . 1 1 72 72 MET H H 72 8.305 8.305 7.169 1.136 19003 1105 1 3 . 1 1 73 73 ALA N N 73 124.890 124.890 121.680 3.210 19003 1106 1 3 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.785 -0.556 19003 1107 1 3 . 1 1 73 73 ALA C C 73 177.499 177.499 177.286 0.213 19003 1108 1 3 . 1 1 73 73 ALA CA C 73 52.639 52.639 52.066 0.573 19003 1109 1 3 . 1 1 73 73 ALA CB C 73 19.103 19.103 19.946 -0.843 19003 1110 1 3 . 1 1 73 73 ALA H H 73 8.272 8.272 8.870 -0.598 19003 1111 1 3 . 1 1 74 74 ASN N N 74 117.940 117.940 121.665 -3.725 19003 1112 1 3 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.343 0.287 19003 1113 1 3 . 1 1 74 74 ASN C C 74 174.893 174.893 175.100 -0.207 19003 1114 1 3 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.527 -3.443 19003 1115 1 3 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.547 0.571 19003 1116 1 3 . 1 1 74 74 ASN H H 74 8.408 8.408 9.028 -0.620 19003 1117 1 3 . 1 1 75 75 ASP N N 75 120.439 120.439 114.111 6.328 19003 1118 1 3 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.740 -0.198 19003 1119 1 3 . 1 1 75 75 ASP C C 75 175.861 175.861 174.600 1.261 19003 1120 1 3 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.197 1.043 19003 1121 1 3 . 1 1 75 75 ASP CB C 75 41.075 41.075 39.714 1.361 19003 1122 1 3 . 1 1 75 75 ASP H H 75 8.298 8.298 8.215 0.083 19003 1123 1 4 . 1 1 11 11 THR N N 11 114.405 114.405 113.765 0.640 19003 1124 1 4 . 1 1 11 11 THR HA H 11 4.246 4.246 4.114 0.132 19003 1125 1 4 . 1 1 11 11 THR C C 11 174.586 174.586 172.779 1.807 19003 1126 1 4 . 1 1 11 11 THR CA C 11 62.246 62.246 60.691 1.556 19003 1127 1 4 . 1 1 11 11 THR CB C 11 69.310 69.310 70.820 -1.510 19003 1128 1 4 . 1 1 12 12 TYR N N 12 123.008 123.008 119.477 3.531 19003 1129 1 4 . 1 1 12 12 TYR HA H 12 4.395 4.395 5.002 -0.607 19003 1130 1 4 . 1 1 12 12 TYR C C 12 176.070 176.070 174.217 1.853 19003 1131 1 4 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.871 1.639 19003 1132 1 4 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.383 -1.799 19003 1133 1 4 . 1 1 12 12 TYR H H 12 8.274 8.274 7.907 0.367 19003 1134 1 4 . 1 1 13 13 ARG N N 13 123.852 123.852 119.527 4.325 19003 1135 1 4 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.373 -0.123 19003 1136 1 4 . 1 1 13 13 ARG C C 13 176.829 176.829 175.184 1.645 19003 1137 1 4 . 1 1 13 13 ARG CA C 13 56.375 56.375 56.335 0.040 19003 1138 1 4 . 1 1 13 13 ARG CB C 13 30.489 30.489 33.094 -2.606 19003 1139 1 4 . 1 1 13 13 ARG H H 13 8.371 8.371 8.702 -0.331 19003 1140 1 4 . 1 1 14 14 GLY N N 14 108.394 108.394 112.024 -3.630 19003 1141 1 4 . 1 1 14 14 GLY C C 14 173.911 173.911 173.738 0.173 19003 1142 1 4 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.164 0.003 19003 1143 1 4 . 1 1 14 14 GLY H H 14 7.646 7.646 8.557 -0.911 19003 1144 1 4 . 1 1 15 15 ARG N N 15 121.238 121.238 118.391 2.847 19003 1145 1 4 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.279 -0.013 19003 1146 1 4 . 1 1 15 15 ARG C C 15 177.053 177.053 176.384 0.669 19003 1147 1 4 . 1 1 15 15 ARG CA C 15 56.286 56.286 55.580 0.706 19003 1148 1 4 . 1 1 15 15 ARG CB C 15 30.578 30.578 30.187 0.391 19003 1149 1 4 . 1 1 15 15 ARG H H 15 8.568 8.568 8.229 0.339 19003 1150 1 4 . 1 1 16 16 GLY N N 16 110.085 110.085 109.313 0.772 19003 1151 1 4 . 1 1 16 16 GLY C C 16 173.911 173.911 174.307 -0.396 19003 1152 1 4 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.221 0.302 19003 1153 1 4 . 1 1 16 16 GLY H H 16 8.525 8.525 8.265 0.260 19003 1154 1 4 . 1 1 17 17 VAL N N 17 119.300 119.300 113.562 5.738 19003 1155 1 4 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.964 0.085 19003 1156 1 4 . 1 1 17 17 VAL C C 17 175.147 175.147 176.805 -1.658 19003 1157 1 4 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.928 -1.038 19003 1158 1 4 . 1 1 17 17 VAL CB C 17 32.713 32.713 31.649 1.064 19003 1159 1 4 . 1 1 18 18 ALA N N 18 128.131 128.131 130.377 -2.246 19003 1160 1 4 . 1 1 18 18 ALA HA H 18 4.334 4.334 3.894 0.440 19003 1161 1 4 . 1 1 18 18 ALA C C 18 177.082 177.082 177.131 -0.049 19003 1162 1 4 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.963 0.053 19003 1163 1 4 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.769 0.245 19003 1164 1 4 . 1 1 18 18 ALA H H 18 8.367 8.367 8.486 -0.119 19003 1165 1 4 . 1 1 19 19 LEU N N 19 122.503 122.503 116.724 5.779 19003 1166 1 4 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.037 0.601 19003 1167 1 4 . 1 1 19 19 LEU C C 19 177.058 177.058 176.195 0.863 19003 1168 1 4 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.789 -1.193 19003 1169 1 4 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.700 2.132 19003 1170 1 4 . 1 1 19 19 LEU H H 19 8.160 8.160 7.590 0.570 19003 1171 1 4 . 1 1 20 20 THR N N 20 115.199 115.199 113.903 1.296 19003 1172 1 4 . 1 1 20 20 THR HA H 20 4.524 4.524 4.293 0.231 19003 1173 1 4 . 1 1 20 20 THR C C 20 177.950 177.950 175.093 2.857 19003 1174 1 4 . 1 1 20 20 THR CA C 20 61.001 61.001 61.932 -0.931 19003 1175 1 4 . 1 1 20 20 THR CB C 20 70.697 70.697 69.890 0.807 19003 1176 1 4 . 1 1 21 21 ASP N N 21 121.413 121.413 122.592 -1.179 19003 1177 1 4 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.345 0.171 19003 1178 1 4 . 1 1 21 21 ASP C C 21 178.378 178.378 178.012 0.366 19003 1179 1 4 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.986 -0.188 19003 1180 1 4 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.279 -1.361 19003 1181 1 4 . 1 1 21 21 ASP H H 21 8.962 8.962 8.794 0.168 19003 1182 1 4 . 1 1 22 22 ASP N N 22 117.981 117.981 120.116 -2.135 19003 1183 1 4 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.469 0.087 19003 1184 1 4 . 1 1 22 22 ASP C C 22 178.869 178.869 178.493 0.376 19003 1185 1 4 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.215 0.494 19003 1186 1 4 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.999 -0.725 19003 1187 1 4 . 1 1 22 22 ASP H H 22 8.467 8.467 8.405 0.062 19003 1188 1 4 . 1 1 23 23 GLU N N 23 120.900 120.900 120.248 0.652 19003 1189 1 4 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.278 -0.100 19003 1190 1 4 . 1 1 23 23 GLU C C 23 178.452 178.452 178.759 -0.307 19003 1191 1 4 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.612 0.055 19003 1192 1 4 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.486 1.202 19003 1193 1 4 . 1 1 23 23 GLU H H 23 7.933 7.933 8.719 -0.786 19003 1194 1 4 . 1 1 24 24 TYR N N 24 119.764 119.764 120.198 -0.434 19003 1195 1 4 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.898 0.425 19003 1196 1 4 . 1 1 24 24 TYR C C 24 177.589 177.589 177.622 -0.033 19003 1197 1 4 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.662 0.836 19003 1198 1 4 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.443 0.036 19003 1199 1 4 . 1 1 24 24 TYR H H 24 8.539 8.539 7.707 0.832 19003 1200 1 4 . 1 1 25 25 ASP N N 25 119.296 119.296 118.062 1.234 19003 1201 1 4 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.399 0.077 19003 1202 1 4 . 1 1 25 25 ASP C C 25 179.078 179.078 178.893 0.185 19003 1203 1 4 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.670 -0.138 19003 1204 1 4 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.936 -0.755 19003 1205 1 4 . 1 1 25 25 ASP H H 25 8.369 8.369 8.078 0.291 19003 1206 1 4 . 1 1 26 26 GLU N N 26 121.770 121.770 119.088 2.682 19003 1207 1 4 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.246 -0.041 19003 1208 1 4 . 1 1 26 26 GLU C C 26 177.514 177.514 178.722 -1.208 19003 1209 1 4 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.558 0.842 19003 1210 1 4 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.363 1.413 19003 1211 1 4 . 1 1 26 26 GLU H H 26 8.356 8.356 8.437 -0.081 19003 1212 1 4 . 1 1 27 27 TRP N N 27 122.248 122.248 121.855 0.393 19003 1213 1 4 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.053 0.125 19003 1214 1 4 . 1 1 27 27 TRP C C 27 177.873 177.873 177.248 0.625 19003 1215 1 4 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.718 -0.833 19003 1216 1 4 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.202 2.376 19003 1217 1 4 . 1 1 27 27 TRP H H 27 8.314 8.314 8.084 0.230 19003 1218 1 4 . 1 1 28 28 ARG N N 28 117.274 117.274 118.297 -1.023 19003 1219 1 4 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.243 -0.173 19003 1220 1 4 . 1 1 28 28 ARG C C 28 179.775 179.775 178.571 1.204 19003 1221 1 4 . 1 1 28 28 ARG CA C 28 58.421 58.421 58.902 -0.481 19003 1222 1 4 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.409 0.325 19003 1223 1 4 . 1 1 28 28 ARG H H 28 7.974 7.974 7.277 0.697 19003 1224 1 4 . 1 1 29 29 GLU N N 29 121.770 121.770 119.560 2.210 19003 1225 1 4 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.088 -0.039 19003 1226 1 4 . 1 1 29 29 GLU C C 29 178.720 178.720 178.226 0.494 19003 1227 1 4 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.037 -0.082 19003 1228 1 4 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.790 -0.279 19003 1229 1 4 . 1 1 29 29 GLU H H 29 8.591 8.591 7.625 0.966 19003 1230 1 4 . 1 1 30 30 HIS N N 30 121.863 121.863 119.416 2.447 19003 1231 1 4 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.299 -1.164 19003 1232 1 4 . 1 1 30 30 HIS C C 30 176.308 176.308 177.622 -1.314 19003 1233 1 4 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.648 0.605 19003 1234 1 4 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.068 -2.199 19003 1235 1 4 . 1 1 30 30 HIS H H 30 8.723 8.723 8.605 0.118 19003 1236 1 4 . 1 1 31 31 ASN N N 31 117.257 117.257 117.977 -0.720 19003 1237 1 4 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.019 0.037 19003 1238 1 4 . 1 1 31 31 ASN C C 31 178.035 178.035 177.075 0.960 19003 1239 1 4 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.865 -1.686 19003 1240 1 4 . 1 1 31 31 ASN CB C 31 36.823 36.823 37.846 -1.024 19003 1241 1 4 . 1 1 31 31 ASN H H 31 7.405 7.405 8.275 -0.870 19003 1242 1 4 . 1 1 32 32 ALA N N 32 120.650 120.650 121.744 -1.094 19003 1243 1 4 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.969 0.096 19003 1244 1 4 . 1 1 32 32 ALA C C 32 180.463 180.463 180.078 0.385 19003 1245 1 4 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.917 -0.232 19003 1246 1 4 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.327 -0.114 19003 1247 1 4 . 1 1 32 32 ALA H H 32 7.905 7.905 7.242 0.663 19003 1248 1 4 . 1 1 33 33 SER N N 33 112.890 112.890 114.924 -2.034 19003 1249 1 4 . 1 1 33 33 SER HA H 33 4.205 4.205 4.291 -0.086 19003 1250 1 4 . 1 1 33 33 SER CA C 33 61.074 61.074 60.848 0.226 19003 1251 1 4 . 1 1 33 33 SER CB C 33 63.834 63.834 63.688 0.146 19003 1252 1 4 . 1 1 33 33 SER H H 33 8.569 8.569 8.697 -0.128 19003 1253 1 4 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.126 0.035 19003 1254 1 4 . 1 1 34 34 ARG C C 34 174.641 174.641 175.720 -1.079 19003 1255 1 4 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.586 1.433 19003 1256 1 4 . 1 1 35 35 LYS N N 35 117.509 117.509 116.327 1.182 19003 1257 1 4 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.972 -0.084 19003 1258 1 4 . 1 1 35 35 LYS C C 35 175.501 175.501 175.740 -0.239 19003 1259 1 4 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.899 0.188 19003 1260 1 4 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.400 -0.690 19003 1261 1 4 . 1 1 35 35 LYS H H 35 7.492 7.492 7.871 -0.379 19003 1262 1 4 . 1 1 36 36 LEU N N 36 118.727 118.727 115.056 3.671 19003 1263 1 4 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.596 -0.001 19003 1264 1 4 . 1 1 36 36 LEU C C 36 175.281 175.281 175.378 -0.097 19003 1265 1 4 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.504 0.287 19003 1266 1 4 . 1 1 36 36 LEU CB C 36 46.374 46.374 44.042 2.332 19003 1267 1 4 . 1 1 36 36 LEU H H 36 8.165 8.165 7.559 0.606 19003 1268 1 4 . 1 1 37 37 ASP N N 37 121.035 121.035 120.376 0.659 19003 1269 1 4 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.737 0.003 19003 1270 1 4 . 1 1 37 37 ASP C C 37 175.921 175.921 174.911 1.010 19003 1271 1 4 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.470 -0.679 19003 1272 1 4 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.681 -0.381 19003 1273 1 4 . 1 1 37 37 ASP H H 37 8.403 8.403 8.140 0.263 19003 1274 1 4 . 1 1 38 38 LEU N N 38 119.070 119.070 119.303 -0.233 19003 1275 1 4 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.907 -0.246 19003 1276 1 4 . 1 1 38 38 LEU C C 38 180.209 180.209 175.777 4.432 19003 1277 1 4 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.597 1.711 19003 1278 1 4 . 1 1 38 38 LEU CB C 38 43.210 43.210 45.254 -2.044 19003 1279 1 4 . 1 1 38 38 LEU H H 38 7.515 7.515 7.989 -0.474 19003 1280 1 4 . 1 1 39 39 SER N N 39 122.093 122.093 116.083 6.010 19003 1281 1 4 . 1 1 39 39 SER HA H 39 4.663 4.663 5.006 -0.343 19003 1282 1 4 . 1 1 39 39 SER C C 39 174.730 174.730 175.222 -0.492 19003 1283 1 4 . 1 1 39 39 SER CA C 39 57.343 57.343 57.210 0.133 19003 1284 1 4 . 1 1 39 39 SER CB C 39 64.879 64.879 64.325 0.554 19003 1285 1 4 . 1 1 39 39 SER H H 39 9.706 9.706 8.746 0.960 19003 1286 1 4 . 1 1 40 40 VAL N N 40 122.917 122.917 123.108 -0.191 19003 1287 1 4 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.181 0.487 19003 1288 1 4 . 1 1 40 40 VAL C C 40 177.187 177.187 177.090 0.097 19003 1289 1 4 . 1 1 40 40 VAL CA C 40 66.372 66.372 66.061 0.311 19003 1290 1 4 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.027 -0.174 19003 1291 1 4 . 1 1 41 41 GLU N N 41 118.661 118.661 119.310 -0.649 19003 1292 1 4 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.733 0.082 19003 1293 1 4 . 1 1 41 41 GLU C C 41 179.108 179.108 178.485 0.623 19003 1294 1 4 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.312 0.422 19003 1295 1 4 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.948 -0.060 19003 1296 1 4 . 1 1 41 41 GLU H H 41 8.725 8.725 8.589 0.136 19003 1297 1 4 . 1 1 42 42 ASP N N 42 120.291 120.291 118.626 1.665 19003 1298 1 4 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.326 0.098 19003 1299 1 4 . 1 1 42 42 ASP C C 42 179.703 179.703 178.455 1.248 19003 1300 1 4 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.710 -0.267 19003 1301 1 4 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.488 -0.481 19003 1302 1 4 . 1 1 42 42 ASP H H 42 7.979 7.979 7.917 0.062 19003 1303 1 4 . 1 1 43 43 PHE N N 43 123.091 123.091 121.588 1.503 19003 1304 1 4 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.035 -0.025 19003 1305 1 4 . 1 1 43 43 PHE C C 43 175.459 175.459 176.590 -1.131 19003 1306 1 4 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.745 0.403 19003 1307 1 4 . 1 1 43 43 PHE CB C 43 39.733 39.733 38.986 0.747 19003 1308 1 4 . 1 1 43 43 PHE H H 43 8.656 8.656 7.210 1.446 19003 1309 1 4 . 1 1 44 44 LEU N N 44 119.965 119.965 118.334 1.631 19003 1310 1 4 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.643 -0.213 19003 1311 1 4 . 1 1 44 44 LEU C C 44 180.537 180.537 178.942 1.595 19003 1312 1 4 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.779 -0.063 19003 1313 1 4 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.653 0.572 19003 1314 1 4 . 1 1 44 44 LEU H H 44 8.702 8.702 8.710 -0.008 19003 1315 1 4 . 1 1 45 45 MET N N 45 118.100 118.100 118.331 -0.231 19003 1316 1 4 . 1 1 45 45 MET HA H 45 4.117 4.117 4.028 0.089 19003 1317 1 4 . 1 1 45 45 MET C C 45 178.274 178.274 178.756 -0.482 19003 1318 1 4 . 1 1 45 45 MET CA C 45 58.421 58.421 59.256 -0.835 19003 1319 1 4 . 1 1 45 45 MET CB C 45 32.268 32.268 32.719 -0.451 19003 1320 1 4 . 1 1 45 45 MET H H 45 7.829 7.829 7.853 -0.024 19003 1321 1 4 . 1 1 46 46 LEU N N 46 123.359 123.359 118.939 4.420 19003 1322 1 4 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.655 0.187 19003 1323 1 4 . 1 1 46 46 LEU C C 46 176.531 176.531 178.804 -2.273 19003 1324 1 4 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.704 -0.086 19003 1325 1 4 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.461 1.332 19003 1326 1 4 . 1 1 46 46 LEU H H 46 7.659 7.659 8.012 -0.353 19003 1327 1 4 . 1 1 47 47 ARG N N 47 118.271 118.271 115.936 2.335 19003 1328 1 4 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.913 -1.162 19003 1329 1 4 . 1 1 47 47 ARG C C 47 178.363 178.363 178.198 0.165 19003 1330 1 4 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.837 -0.834 19003 1331 1 4 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.216 0.891 19003 1332 1 4 . 1 1 47 47 ARG H H 47 7.955 7.955 7.502 0.453 19003 1333 1 4 . 1 1 48 48 HIS N N 48 117.915 117.915 120.291 -2.376 19003 1334 1 4 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.031 0.194 19003 1335 1 4 . 1 1 48 48 HIS C C 48 177.097 177.097 177.514 -0.417 19003 1336 1 4 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.334 -0.023 19003 1337 1 4 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.952 0.626 19003 1338 1 4 . 1 1 48 48 HIS H H 48 7.609 7.609 8.090 -0.481 19003 1339 1 4 . 1 1 49 49 ARG N N 49 116.831 116.831 117.940 -1.109 19003 1340 1 4 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.890 0.088 19003 1341 1 4 . 1 1 49 49 ARG C C 49 179.242 179.242 178.797 0.445 19003 1342 1 4 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.551 -0.492 19003 1343 1 4 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.899 -1.209 19003 1344 1 4 . 1 1 49 49 ARG H H 49 7.980 7.980 8.677 -0.697 19003 1345 1 4 . 1 1 50 50 ALA N N 50 122.916 122.916 122.582 0.334 19003 1346 1 4 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.102 -0.122 19003 1347 1 4 . 1 1 50 50 ALA C C 50 181.207 181.207 179.408 1.799 19003 1348 1 4 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.772 0.269 19003 1349 1 4 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.406 0.786 19003 1350 1 4 . 1 1 50 50 ALA H H 50 8.734 8.734 7.466 1.268 19003 1351 1 4 . 1 1 51 51 ALA N N 51 122.005 122.005 120.145 1.860 19003 1352 1 4 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.069 0.044 19003 1353 1 4 . 1 1 51 51 ALA C C 51 179.033 179.033 179.269 -0.236 19003 1354 1 4 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.544 0.038 19003 1355 1 4 . 1 1 51 51 ALA CB C 51 18.019 18.019 19.026 -1.007 19003 1356 1 4 . 1 1 51 51 ALA H H 51 7.861 7.861 8.074 -0.213 19003 1357 1 4 . 1 1 52 52 LEU N N 52 117.205 117.205 116.881 0.324 19003 1358 1 4 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.452 -0.194 19003 1359 1 4 . 1 1 52 52 LEU C C 52 177.842 177.842 178.272 -0.430 19003 1360 1 4 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.088 -1.465 19003 1361 1 4 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.838 -1.229 19003 1362 1 4 . 1 1 52 52 LEU H H 52 7.277 7.277 8.458 -1.181 19003 1363 1 4 . 1 1 53 53 GLY N N 53 105.824 105.824 103.393 2.431 19003 1364 1 4 . 1 1 53 53 GLY C C 53 174.745 174.745 173.010 1.735 19003 1365 1 4 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.182 0.341 19003 1366 1 4 . 1 1 53 53 GLY H H 53 7.616 7.616 7.802 -0.186 19003 1367 1 4 . 1 1 54 54 ALA N N 54 122.086 122.086 123.149 -1.063 19003 1368 1 4 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.690 -0.463 19003 1369 1 4 . 1 1 54 54 ALA C C 54 178.035 178.035 175.413 2.622 19003 1370 1 4 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.412 2.028 19003 1371 1 4 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.316 -1.591 19003 1372 1 4 . 1 1 54 54 ALA H H 54 7.637 7.637 7.930 -0.293 19003 1373 1 4 . 1 1 55 55 ASP N N 55 118.303 118.303 121.085 -2.782 19003 1374 1 4 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.758 -0.012 19003 1375 1 4 . 1 1 55 55 ASP C C 55 176.129 176.129 175.119 1.010 19003 1376 1 4 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.631 -0.636 19003 1377 1 4 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.224 -0.882 19003 1378 1 4 . 1 1 55 55 ASP H H 55 8.540 8.540 8.502 0.038 19003 1379 1 4 . 1 1 56 56 ASP N N 56 116.381 116.381 120.845 -4.464 19003 1380 1 4 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.590 0.023 19003 1381 1 4 . 1 1 56 56 ASP C C 56 175.638 175.638 177.745 -2.107 19003 1382 1 4 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.221 -0.692 19003 1383 1 4 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.014 0.039 19003 1384 1 4 . 1 1 56 56 ASP H H 56 7.469 7.469 7.955 -0.486 19003 1385 1 4 . 1 1 57 57 ASN N N 57 118.913 118.913 124.679 -5.766 19003 1386 1 4 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.351 -0.020 19003 1387 1 4 . 1 1 57 57 ASN C C 57 176.963 176.963 176.882 0.081 19003 1388 1 4 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.234 1.120 19003 1389 1 4 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.216 1.080 19003 1390 1 4 . 1 1 57 57 ASN H H 57 9.033 9.033 8.872 0.161 19003 1391 1 4 . 1 1 58 58 ASP N N 58 117.610 117.610 122.148 -4.538 19003 1392 1 4 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.452 0.033 19003 1393 1 4 . 1 1 58 58 ASP C C 58 178.944 178.944 178.239 0.705 19003 1394 1 4 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.859 -0.238 19003 1395 1 4 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.469 -0.462 19003 1396 1 4 . 1 1 58 58 ASP H H 58 8.519 8.519 8.033 0.486 19003 1397 1 4 . 1 1 59 59 ALA N N 59 126.800 126.800 121.615 5.185 19003 1398 1 4 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.068 -0.090 19003 1399 1 4 . 1 1 59 59 ALA C C 59 178.974 178.974 179.295 -0.321 19003 1400 1 4 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.218 0.534 19003 1401 1 4 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.508 0.595 19003 1402 1 4 . 1 1 59 59 ALA H H 59 8.067 8.067 7.907 0.160 19003 1403 1 4 . 1 1 60 60 VAL N N 60 119.673 119.673 116.813 2.860 19003 1404 1 4 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.807 -0.218 19003 1405 1 4 . 1 1 60 60 VAL C C 60 179.934 179.934 177.479 2.455 19003 1406 1 4 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.760 0.985 19003 1407 1 4 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.285 0.836 19003 1408 1 4 . 1 1 61 61 LYS N N 61 119.673 119.673 120.986 -1.313 19003 1409 1 4 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.118 0.084 19003 1410 1 4 . 1 1 61 61 LYS C C 61 180.135 180.135 179.253 0.882 19003 1411 1 4 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.257 0.180 19003 1412 1 4 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.083 0.274 19003 1413 1 4 . 1 1 61 61 LYS H H 61 8.383 8.383 8.502 -0.119 19003 1414 1 4 . 1 1 62 62 PHE N N 62 122.324 122.324 122.510 -0.186 19003 1415 1 4 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.362 -0.028 19003 1416 1 4 . 1 1 62 62 PHE C C 62 177.038 177.038 176.916 0.122 19003 1417 1 4 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.238 1.453 19003 1418 1 4 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.484 -0.277 19003 1419 1 4 . 1 1 62 62 PHE H H 62 8.510 8.510 8.192 0.318 19003 1420 1 4 . 1 1 63 63 ARG N N 63 119.741 119.741 120.202 -0.461 19003 1421 1 4 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.921 0.153 19003 1422 1 4 . 1 1 63 63 ARG C C 63 178.586 178.586 178.485 0.101 19003 1423 1 4 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.566 1.613 19003 1424 1 4 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.655 1.101 19003 1425 1 4 . 1 1 63 63 ARG H H 63 8.724 8.724 8.758 -0.034 19003 1426 1 4 . 1 1 64 64 SER N N 64 113.962 113.962 115.343 -1.381 19003 1427 1 4 . 1 1 64 64 SER HA H 64 4.324 4.324 4.190 0.134 19003 1428 1 4 . 1 1 64 64 SER C C 64 177.297 177.297 176.358 0.939 19003 1429 1 4 . 1 1 64 64 SER CA C 64 61.550 61.550 62.330 -0.780 19003 1430 1 4 . 1 1 64 64 SER CB C 64 62.316 62.316 63.025 -0.709 19003 1431 1 4 . 1 1 64 64 SER H H 64 8.224 8.224 8.759 -0.535 19003 1432 1 4 . 1 1 65 65 TRP N N 65 123.490 123.490 123.111 0.379 19003 1433 1 4 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.477 -0.324 19003 1434 1 4 . 1 1 65 65 TRP C C 65 178.318 178.318 178.149 0.169 19003 1435 1 4 . 1 1 65 65 TRP CA C 65 61.712 61.712 59.875 1.837 19003 1436 1 4 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.701 -2.414 19003 1437 1 4 . 1 1 65 65 TRP H H 65 8.054 8.054 7.686 0.368 19003 1438 1 4 . 1 1 66 66 TRP N N 66 122.351 122.351 121.173 1.178 19003 1439 1 4 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.106 -0.018 19003 1440 1 4 . 1 1 66 66 TRP C C 66 178.959 178.959 176.550 2.409 19003 1441 1 4 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.939 1.314 19003 1442 1 4 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.459 0.051 19003 1443 1 4 . 1 1 66 66 TRP H H 66 9.333 9.333 8.836 0.497 19003 1444 1 4 . 1 1 67 67 ASN N N 67 115.529 115.529 115.673 -0.144 19003 1445 1 4 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.593 -0.217 19003 1446 1 4 . 1 1 67 67 ASN C C 67 176.591 176.591 175.433 1.158 19003 1447 1 4 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.964 0.344 19003 1448 1 4 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.618 -0.123 19003 1449 1 4 . 1 1 67 67 ASN H H 67 8.586 8.586 8.396 0.190 19003 1450 1 4 . 1 1 68 68 SER N N 68 114.677 114.677 114.042 0.635 19003 1451 1 4 . 1 1 68 68 SER HA H 68 4.332 4.332 4.387 -0.055 19003 1452 1 4 . 1 1 68 68 SER C C 68 174.581 174.581 174.345 0.236 19003 1453 1 4 . 1 1 68 68 SER CA C 68 59.578 59.578 60.070 -0.492 19003 1454 1 4 . 1 1 68 68 SER CB C 68 63.670 63.670 63.818 -0.148 19003 1455 1 4 . 1 1 68 68 SER H H 68 7.600 7.600 7.667 -0.067 19003 1456 1 4 . 1 1 69 69 ARG N N 69 121.618 121.618 119.146 2.472 19003 1457 1 4 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.400 -0.521 19003 1458 1 4 . 1 1 69 69 ARG C C 69 176.963 176.963 177.061 -0.098 19003 1459 1 4 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.264 -0.177 19003 1460 1 4 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.379 -0.424 19003 1461 1 4 . 1 1 69 69 ARG H H 69 6.992 6.992 7.156 -0.164 19003 1462 1 4 . 1 1 70 70 THR N N 70 114.140 114.140 114.751 -0.611 19003 1463 1 4 . 1 1 70 70 THR HA H 70 4.030 4.030 3.952 0.078 19003 1464 1 4 . 1 1 70 70 THR C C 70 174.506 174.506 174.378 0.128 19003 1465 1 4 . 1 1 70 70 THR CA C 70 62.513 62.513 62.783 -0.270 19003 1466 1 4 . 1 1 70 70 THR CB C 70 69.378 69.378 68.713 0.664 19003 1467 1 4 . 1 1 71 71 LYS N N 71 123.490 123.490 114.891 8.599 19003 1468 1 4 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.827 0.360 19003 1469 1 4 . 1 1 71 71 LYS C C 71 176.531 176.531 175.478 1.053 19003 1470 1 4 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.538 -0.252 19003 1471 1 4 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.604 2.020 19003 1472 1 4 . 1 1 71 71 LYS H H 71 8.051 8.051 7.933 0.118 19003 1473 1 4 . 1 1 72 72 MET N N 72 121.388 121.388 112.245 9.143 19003 1474 1 4 . 1 1 72 72 MET HA H 72 4.376 4.376 4.308 0.068 19003 1475 1 4 . 1 1 72 72 MET C C 72 176.115 176.115 175.549 0.566 19003 1476 1 4 . 1 1 72 72 MET CA C 72 55.397 55.397 57.357 -1.960 19003 1477 1 4 . 1 1 72 72 MET CB C 72 32.446 32.446 32.240 0.206 19003 1478 1 4 . 1 1 72 72 MET H H 72 8.305 8.305 6.958 1.347 19003 1479 1 4 . 1 1 73 73 ALA N N 73 124.890 124.890 121.289 3.601 19003 1480 1 4 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.698 -0.469 19003 1481 1 4 . 1 1 73 73 ALA C C 73 177.499 177.499 177.440 0.059 19003 1482 1 4 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.728 0.911 19003 1483 1 4 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.395 -1.292 19003 1484 1 4 . 1 1 73 73 ALA H H 73 8.272 8.272 8.226 0.046 19003 1485 1 4 . 1 1 74 74 ASN N N 74 117.940 117.940 121.474 -3.534 19003 1486 1 4 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.355 0.275 19003 1487 1 4 . 1 1 74 74 ASN C C 74 174.893 174.893 175.076 -0.183 19003 1488 1 4 . 1 1 74 74 ASN CA C 74 53.084 53.084 57.047 -3.963 19003 1489 1 4 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.546 0.572 19003 1490 1 4 . 1 1 74 74 ASN H H 74 8.408 8.408 8.950 -0.542 19003 1491 1 4 . 1 1 75 75 ASP N N 75 120.439 120.439 110.543 9.896 19003 1492 1 4 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.665 -0.123 19003 1493 1 4 . 1 1 75 75 ASP C C 75 175.861 175.861 175.267 0.594 19003 1494 1 4 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.154 1.086 19003 1495 1 4 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.533 0.541 19003 1496 1 4 . 1 1 75 75 ASP H H 75 8.298 8.298 8.084 0.214 19003 1497 1 5 . 1 1 11 11 THR N N 11 114.405 114.405 114.537 -0.132 19003 1498 1 5 . 1 1 11 11 THR HA H 11 4.246 4.246 4.384 -0.138 19003 1499 1 5 . 1 1 11 11 THR C C 11 174.586 174.586 172.985 1.601 19003 1500 1 5 . 1 1 11 11 THR CA C 11 62.246 62.246 60.701 1.545 19003 1501 1 5 . 1 1 11 11 THR CB C 11 69.310 69.310 70.765 -1.455 19003 1502 1 5 . 1 1 12 12 TYR N N 12 123.008 123.008 119.204 3.804 19003 1503 1 5 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.993 -0.598 19003 1504 1 5 . 1 1 12 12 TYR C C 12 176.070 176.070 174.131 1.939 19003 1505 1 5 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.981 1.529 19003 1506 1 5 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.811 -2.227 19003 1507 1 5 . 1 1 12 12 TYR H H 12 8.274 8.274 8.079 0.195 19003 1508 1 5 . 1 1 13 13 ARG N N 13 123.852 123.852 119.756 4.096 19003 1509 1 5 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.329 -0.079 19003 1510 1 5 . 1 1 13 13 ARG C C 13 176.829 176.829 174.667 2.162 19003 1511 1 5 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.876 0.499 19003 1512 1 5 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.509 -2.020 19003 1513 1 5 . 1 1 13 13 ARG H H 13 8.371 8.371 8.464 -0.093 19003 1514 1 5 . 1 1 14 14 GLY N N 14 108.394 108.394 113.916 -5.522 19003 1515 1 5 . 1 1 14 14 GLY C C 14 173.911 173.911 174.225 -0.314 19003 1516 1 5 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.016 0.151 19003 1517 1 5 . 1 1 14 14 GLY H H 14 7.646 7.646 8.531 -0.885 19003 1518 1 5 . 1 1 15 15 ARG N N 15 121.238 121.238 124.037 -2.799 19003 1519 1 5 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.276 -0.010 19003 1520 1 5 . 1 1 15 15 ARG C C 15 177.053 177.053 176.339 0.714 19003 1521 1 5 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.126 2.160 19003 1522 1 5 . 1 1 15 15 ARG CB C 15 30.578 30.578 27.818 2.760 19003 1523 1 5 . 1 1 15 15 ARG H H 15 8.568 8.568 8.367 0.201 19003 1524 1 5 . 1 1 16 16 GLY N N 16 110.085 110.085 108.666 1.419 19003 1525 1 5 . 1 1 16 16 GLY C C 16 173.911 173.911 174.894 -0.983 19003 1526 1 5 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.373 0.150 19003 1527 1 5 . 1 1 16 16 GLY H H 16 8.525 8.525 8.032 0.493 19003 1528 1 5 . 1 1 17 17 VAL N N 17 119.300 119.300 115.647 3.653 19003 1529 1 5 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.044 0.005 19003 1530 1 5 . 1 1 17 17 VAL C C 17 175.147 175.147 176.765 -1.618 19003 1531 1 5 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.140 -1.250 19003 1532 1 5 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.337 0.376 19003 1533 1 5 . 1 1 18 18 ALA N N 18 128.131 128.131 130.238 -2.107 19003 1534 1 5 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.157 0.177 19003 1535 1 5 . 1 1 18 18 ALA C C 18 177.082 177.082 176.779 0.303 19003 1536 1 5 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.931 0.084 19003 1537 1 5 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.625 0.389 19003 1538 1 5 . 1 1 18 18 ALA H H 18 8.367 8.367 8.429 -0.062 19003 1539 1 5 . 1 1 19 19 LEU N N 19 122.503 122.503 117.486 5.017 19003 1540 1 5 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.113 0.525 19003 1541 1 5 . 1 1 19 19 LEU C C 19 177.058 177.058 176.226 0.832 19003 1542 1 5 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.718 -1.121 19003 1543 1 5 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.761 2.071 19003 1544 1 5 . 1 1 19 19 LEU H H 19 8.160 8.160 7.687 0.473 19003 1545 1 5 . 1 1 20 20 THR N N 20 115.199 115.199 115.072 0.127 19003 1546 1 5 . 1 1 20 20 THR HA H 20 4.524 4.524 4.242 0.282 19003 1547 1 5 . 1 1 20 20 THR C C 20 177.950 177.950 175.253 2.697 19003 1548 1 5 . 1 1 20 20 THR CA C 20 61.001 61.001 61.484 -0.483 19003 1549 1 5 . 1 1 20 20 THR CB C 20 70.697 70.697 70.081 0.616 19003 1550 1 5 . 1 1 21 21 ASP N N 21 121.413 121.413 121.240 0.173 19003 1551 1 5 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.439 0.077 19003 1552 1 5 . 1 1 21 21 ASP C C 21 178.378 178.378 177.355 1.023 19003 1553 1 5 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.766 0.032 19003 1554 1 5 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.134 -1.216 19003 1555 1 5 . 1 1 21 21 ASP H H 21 8.962 8.962 8.835 0.127 19003 1556 1 5 . 1 1 22 22 ASP N N 22 117.981 117.981 119.443 -1.462 19003 1557 1 5 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.516 0.040 19003 1558 1 5 . 1 1 22 22 ASP C C 22 178.869 178.869 178.424 0.445 19003 1559 1 5 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.705 0.004 19003 1560 1 5 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.081 -0.807 19003 1561 1 5 . 1 1 22 22 ASP H H 22 8.467 8.467 8.404 0.063 19003 1562 1 5 . 1 1 23 23 GLU N N 23 120.900 120.900 120.280 0.620 19003 1563 1 5 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.305 -0.127 19003 1564 1 5 . 1 1 23 23 GLU C C 23 178.452 178.452 178.738 -0.286 19003 1565 1 5 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.127 0.541 19003 1566 1 5 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.020 1.668 19003 1567 1 5 . 1 1 23 23 GLU H H 23 7.933 7.933 8.841 -0.908 19003 1568 1 5 . 1 1 24 24 TYR N N 24 119.764 119.764 120.416 -0.652 19003 1569 1 5 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.968 0.355 19003 1570 1 5 . 1 1 24 24 TYR C C 24 177.589 177.589 177.535 0.054 19003 1571 1 5 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.690 0.808 19003 1572 1 5 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.459 0.020 19003 1573 1 5 . 1 1 24 24 TYR H H 24 8.539 8.539 7.596 0.943 19003 1574 1 5 . 1 1 25 25 ASP N N 25 119.296 119.296 118.159 1.137 19003 1575 1 5 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.429 0.047 19003 1576 1 5 . 1 1 25 25 ASP C C 25 179.078 179.078 178.936 0.142 19003 1577 1 5 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.991 -0.459 19003 1578 1 5 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.700 -0.519 19003 1579 1 5 . 1 1 25 25 ASP H H 25 8.369 8.369 7.882 0.487 19003 1580 1 5 . 1 1 26 26 GLU N N 26 121.770 121.770 118.809 2.961 19003 1581 1 5 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.360 -0.155 19003 1582 1 5 . 1 1 26 26 GLU C C 26 177.514 177.514 178.802 -1.288 19003 1583 1 5 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.220 1.180 19003 1584 1 5 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.369 1.407 19003 1585 1 5 . 1 1 26 26 GLU H H 26 8.356 8.356 8.550 -0.194 19003 1586 1 5 . 1 1 27 27 TRP N N 27 122.248 122.248 122.181 0.067 19003 1587 1 5 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.295 -0.117 19003 1588 1 5 . 1 1 27 27 TRP C C 27 177.873 177.873 177.284 0.589 19003 1589 1 5 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.891 -1.006 19003 1590 1 5 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.422 2.156 19003 1591 1 5 . 1 1 27 27 TRP H H 27 8.314 8.314 8.169 0.145 19003 1592 1 5 . 1 1 28 28 ARG N N 28 117.274 117.274 117.529 -0.255 19003 1593 1 5 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.068 0.002 19003 1594 1 5 . 1 1 28 28 ARG C C 28 179.775 179.775 178.482 1.293 19003 1595 1 5 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.433 -1.012 19003 1596 1 5 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.442 0.292 19003 1597 1 5 . 1 1 28 28 ARG H H 28 7.974 7.974 7.382 0.592 19003 1598 1 5 . 1 1 29 29 GLU N N 29 121.770 121.770 119.630 2.140 19003 1599 1 5 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.131 -0.082 19003 1600 1 5 . 1 1 29 29 GLU C C 29 178.720 178.720 178.212 0.508 19003 1601 1 5 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.018 -0.063 19003 1602 1 5 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.835 -0.324 19003 1603 1 5 . 1 1 29 29 GLU H H 29 8.591 8.591 7.665 0.926 19003 1604 1 5 . 1 1 30 30 HIS N N 30 121.863 121.863 119.664 2.199 19003 1605 1 5 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.326 -1.191 19003 1606 1 5 . 1 1 30 30 HIS C C 30 176.308 176.308 177.586 -1.278 19003 1607 1 5 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.450 0.803 19003 1608 1 5 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.193 -2.324 19003 1609 1 5 . 1 1 30 30 HIS H H 30 8.723 8.723 8.644 0.079 19003 1610 1 5 . 1 1 31 31 ASN N N 31 117.257 117.257 117.540 -0.283 19003 1611 1 5 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.070 -0.014 19003 1612 1 5 . 1 1 31 31 ASN C C 31 178.035 178.035 176.783 1.252 19003 1613 1 5 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.126 -0.946 19003 1614 1 5 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.191 -1.368 19003 1615 1 5 . 1 1 31 31 ASN H H 31 7.405 7.405 8.355 -0.950 19003 1616 1 5 . 1 1 32 32 ALA N N 32 120.650 120.650 121.248 -0.598 19003 1617 1 5 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.962 0.103 19003 1618 1 5 . 1 1 32 32 ALA C C 32 180.463 180.463 180.117 0.346 19003 1619 1 5 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.866 -0.181 19003 1620 1 5 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.364 -0.151 19003 1621 1 5 . 1 1 32 32 ALA H H 32 7.905 7.905 7.211 0.694 19003 1622 1 5 . 1 1 33 33 SER N N 33 112.890 112.890 115.200 -2.310 19003 1623 1 5 . 1 1 33 33 SER HA H 33 4.205 4.205 4.281 -0.076 19003 1624 1 5 . 1 1 33 33 SER CA C 33 61.074 61.074 61.057 0.017 19003 1625 1 5 . 1 1 33 33 SER CB C 33 63.834 63.834 63.695 0.139 19003 1626 1 5 . 1 1 33 33 SER H H 33 8.569 8.569 8.737 -0.168 19003 1627 1 5 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.080 0.081 19003 1628 1 5 . 1 1 34 34 ARG C C 34 174.641 174.641 175.650 -1.009 19003 1629 1 5 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.781 1.238 19003 1630 1 5 . 1 1 35 35 LYS N N 35 117.509 117.509 115.836 1.673 19003 1631 1 5 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.961 -0.073 19003 1632 1 5 . 1 1 35 35 LYS C C 35 175.501 175.501 175.932 -0.431 19003 1633 1 5 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.093 -0.006 19003 1634 1 5 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.403 -0.693 19003 1635 1 5 . 1 1 35 35 LYS H H 35 7.492 7.492 7.750 -0.258 19003 1636 1 5 . 1 1 36 36 LEU N N 36 118.727 118.727 115.932 2.795 19003 1637 1 5 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.544 0.051 19003 1638 1 5 . 1 1 36 36 LEU C C 36 175.281 175.281 176.020 -0.739 19003 1639 1 5 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.634 0.157 19003 1640 1 5 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.250 3.124 19003 1641 1 5 . 1 1 36 36 LEU H H 36 8.165 8.165 7.084 1.081 19003 1642 1 5 . 1 1 37 37 ASP N N 37 121.035 121.035 120.216 0.819 19003 1643 1 5 . 1 1 37 37 ASP HA H 37 4.740 4.740 5.171 -0.431 19003 1644 1 5 . 1 1 37 37 ASP C C 37 175.921 175.921 175.477 0.444 19003 1645 1 5 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.391 -0.600 19003 1646 1 5 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.633 -0.333 19003 1647 1 5 . 1 1 37 37 ASP H H 37 8.403 8.403 7.954 0.449 19003 1648 1 5 . 1 1 38 38 LEU N N 38 119.070 119.070 121.392 -2.322 19003 1649 1 5 . 1 1 38 38 LEU HA H 38 4.661 4.661 5.000 -0.339 19003 1650 1 5 . 1 1 38 38 LEU C C 38 180.209 180.209 175.657 4.552 19003 1651 1 5 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.646 1.662 19003 1652 1 5 . 1 1 38 38 LEU CB C 38 43.210 43.210 45.218 -2.008 19003 1653 1 5 . 1 1 38 38 LEU H H 38 7.515 7.515 8.018 -0.503 19003 1654 1 5 . 1 1 39 39 SER N N 39 122.093 122.093 115.582 6.511 19003 1655 1 5 . 1 1 39 39 SER HA H 39 4.663 4.663 5.070 -0.407 19003 1656 1 5 . 1 1 39 39 SER C C 39 174.730 174.730 175.363 -0.633 19003 1657 1 5 . 1 1 39 39 SER CA C 39 57.343 57.343 56.879 0.464 19003 1658 1 5 . 1 1 39 39 SER CB C 39 64.879 64.879 64.966 -0.087 19003 1659 1 5 . 1 1 39 39 SER H H 39 9.706 9.706 8.629 1.077 19003 1660 1 5 . 1 1 40 40 VAL N N 40 122.917 122.917 124.452 -1.535 19003 1661 1 5 . 1 1 40 40 VAL HA H 40 2.668 2.668 1.982 0.686 19003 1662 1 5 . 1 1 40 40 VAL C C 40 177.187 177.187 177.011 0.176 19003 1663 1 5 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.575 0.797 19003 1664 1 5 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.053 -0.200 19003 1665 1 5 . 1 1 41 41 GLU N N 41 118.661 118.661 118.957 -0.296 19003 1666 1 5 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.713 0.102 19003 1667 1 5 . 1 1 41 41 GLU C C 41 179.108 179.108 178.580 0.528 19003 1668 1 5 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.169 0.565 19003 1669 1 5 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.948 -0.060 19003 1670 1 5 . 1 1 41 41 GLU H H 41 8.725 8.725 8.527 0.198 19003 1671 1 5 . 1 1 42 42 ASP N N 42 120.291 120.291 119.047 1.244 19003 1672 1 5 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.341 0.083 19003 1673 1 5 . 1 1 42 42 ASP C C 42 179.703 179.703 178.373 1.330 19003 1674 1 5 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.495 -0.052 19003 1675 1 5 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.672 -0.665 19003 1676 1 5 . 1 1 42 42 ASP H H 42 7.979 7.979 7.874 0.105 19003 1677 1 5 . 1 1 43 43 PHE N N 43 123.091 123.091 121.708 1.383 19003 1678 1 5 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.156 -0.146 19003 1679 1 5 . 1 1 43 43 PHE C C 43 175.459 175.459 176.415 -0.956 19003 1680 1 5 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.731 0.417 19003 1681 1 5 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.105 0.628 19003 1682 1 5 . 1 1 43 43 PHE H H 43 8.656 8.656 7.218 1.438 19003 1683 1 5 . 1 1 44 44 LEU N N 44 119.965 119.965 118.763 1.202 19003 1684 1 5 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.806 -0.376 19003 1685 1 5 . 1 1 44 44 LEU C C 44 180.537 180.537 179.023 1.514 19003 1686 1 5 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.777 -0.061 19003 1687 1 5 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.727 0.498 19003 1688 1 5 . 1 1 44 44 LEU H H 44 8.702 8.702 8.647 0.055 19003 1689 1 5 . 1 1 45 45 MET N N 45 118.100 118.100 118.375 -0.275 19003 1690 1 5 . 1 1 45 45 MET HA H 45 4.117 4.117 4.013 0.104 19003 1691 1 5 . 1 1 45 45 MET C C 45 178.274 178.274 178.690 -0.416 19003 1692 1 5 . 1 1 45 45 MET CA C 45 58.421 58.421 59.259 -0.838 19003 1693 1 5 . 1 1 45 45 MET CB C 45 32.268 32.268 32.630 -0.362 19003 1694 1 5 . 1 1 45 45 MET H H 45 7.829 7.829 8.111 -0.282 19003 1695 1 5 . 1 1 46 46 LEU N N 46 123.359 123.359 119.356 4.003 19003 1696 1 5 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.617 0.225 19003 1697 1 5 . 1 1 46 46 LEU C C 46 176.531 176.531 178.675 -2.144 19003 1698 1 5 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.570 0.048 19003 1699 1 5 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.392 1.401 19003 1700 1 5 . 1 1 46 46 LEU H H 46 7.659 7.659 7.627 0.032 19003 1701 1 5 . 1 1 47 47 ARG N N 47 118.271 118.271 117.647 0.624 19003 1702 1 5 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.623 -0.872 19003 1703 1 5 . 1 1 47 47 ARG C C 47 178.363 178.363 177.919 0.444 19003 1704 1 5 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.280 -1.276 19003 1705 1 5 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.816 0.291 19003 1706 1 5 . 1 1 47 47 ARG H H 47 7.955 7.955 7.628 0.327 19003 1707 1 5 . 1 1 48 48 HIS N N 48 117.915 117.915 118.967 -1.052 19003 1708 1 5 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.053 0.172 19003 1709 1 5 . 1 1 48 48 HIS C C 48 177.097 177.097 177.586 -0.489 19003 1710 1 5 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.450 -0.139 19003 1711 1 5 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.879 0.699 19003 1712 1 5 . 1 1 48 48 HIS H H 48 7.609 7.609 8.245 -0.636 19003 1713 1 5 . 1 1 49 49 ARG N N 49 116.831 116.831 118.076 -1.245 19003 1714 1 5 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.902 0.076 19003 1715 1 5 . 1 1 49 49 ARG C C 49 179.242 179.242 178.749 0.493 19003 1716 1 5 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.315 -0.256 19003 1717 1 5 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.014 -1.323 19003 1718 1 5 . 1 1 49 49 ARG H H 49 7.980 7.980 8.540 -0.560 19003 1719 1 5 . 1 1 50 50 ALA N N 50 122.916 122.916 122.271 0.645 19003 1720 1 5 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.124 -0.144 19003 1721 1 5 . 1 1 50 50 ALA C C 50 181.207 181.207 179.477 1.730 19003 1722 1 5 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.762 0.279 19003 1723 1 5 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.468 0.724 19003 1724 1 5 . 1 1 50 50 ALA H H 50 8.734 8.734 7.571 1.163 19003 1725 1 5 . 1 1 51 51 ALA N N 51 122.005 122.005 120.429 1.576 19003 1726 1 5 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.059 0.054 19003 1727 1 5 . 1 1 51 51 ALA C C 51 179.033 179.033 179.299 -0.266 19003 1728 1 5 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.574 0.008 19003 1729 1 5 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.977 -0.958 19003 1730 1 5 . 1 1 51 51 ALA H H 51 7.861 7.861 8.070 -0.209 19003 1731 1 5 . 1 1 52 52 LEU N N 52 117.205 117.205 116.981 0.224 19003 1732 1 5 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.345 -0.087 19003 1733 1 5 . 1 1 52 52 LEU C C 52 177.842 177.842 178.354 -0.512 19003 1734 1 5 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.359 -1.736 19003 1735 1 5 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.576 -0.967 19003 1736 1 5 . 1 1 52 52 LEU H H 52 7.277 7.277 8.680 -1.403 19003 1737 1 5 . 1 1 53 53 GLY N N 53 105.824 105.824 102.379 3.445 19003 1738 1 5 . 1 1 53 53 GLY C C 53 174.745 174.745 173.200 1.545 19003 1739 1 5 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.009 0.514 19003 1740 1 5 . 1 1 53 53 GLY H H 53 7.616 7.616 7.765 -0.149 19003 1741 1 5 . 1 1 54 54 ALA N N 54 122.086 122.086 123.131 -1.045 19003 1742 1 5 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.532 -0.305 19003 1743 1 5 . 1 1 54 54 ALA C C 54 178.035 178.035 176.269 1.766 19003 1744 1 5 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.474 1.966 19003 1745 1 5 . 1 1 54 54 ALA CB C 54 19.725 19.725 20.265 -0.540 19003 1746 1 5 . 1 1 54 54 ALA H H 54 7.637 7.637 7.694 -0.057 19003 1747 1 5 . 1 1 55 55 ASP N N 55 118.303 118.303 121.780 -3.477 19003 1748 1 5 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.728 0.018 19003 1749 1 5 . 1 1 55 55 ASP C C 55 176.129 176.129 175.279 0.850 19003 1750 1 5 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.710 -0.715 19003 1751 1 5 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.582 -1.240 19003 1752 1 5 . 1 1 55 55 ASP H H 55 8.540 8.540 8.555 -0.015 19003 1753 1 5 . 1 1 56 56 ASP N N 56 116.381 116.381 120.994 -4.613 19003 1754 1 5 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.560 0.053 19003 1755 1 5 . 1 1 56 56 ASP C C 56 175.638 175.638 177.570 -1.932 19003 1756 1 5 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.312 -0.783 19003 1757 1 5 . 1 1 56 56 ASP CB C 56 42.053 42.053 41.958 0.095 19003 1758 1 5 . 1 1 56 56 ASP H H 56 7.469 7.469 8.037 -0.568 19003 1759 1 5 . 1 1 57 57 ASN N N 57 118.913 118.913 125.525 -6.612 19003 1760 1 5 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.296 0.035 19003 1761 1 5 . 1 1 57 57 ASN C C 57 176.963 176.963 176.663 0.300 19003 1762 1 5 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.418 0.936 19003 1763 1 5 . 1 1 57 57 ASN CB C 57 39.296 39.296 37.989 1.307 19003 1764 1 5 . 1 1 57 57 ASN H H 57 9.033 9.033 8.887 0.146 19003 1765 1 5 . 1 1 58 58 ASP N N 58 117.610 117.610 121.793 -4.183 19003 1766 1 5 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.450 0.035 19003 1767 1 5 . 1 1 58 58 ASP C C 58 178.944 178.944 178.301 0.643 19003 1768 1 5 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.343 0.278 19003 1769 1 5 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.454 -0.447 19003 1770 1 5 . 1 1 58 58 ASP H H 58 8.519 8.519 8.115 0.404 19003 1771 1 5 . 1 1 59 59 ALA N N 59 126.800 126.800 122.078 4.722 19003 1772 1 5 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.107 -0.129 19003 1773 1 5 . 1 1 59 59 ALA C C 59 178.974 178.974 179.180 -0.206 19003 1774 1 5 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.251 0.501 19003 1775 1 5 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.617 0.486 19003 1776 1 5 . 1 1 59 59 ALA H H 59 8.067 8.067 8.167 -0.100 19003 1777 1 5 . 1 1 60 60 VAL N N 60 119.673 119.673 116.681 2.992 19003 1778 1 5 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.826 -0.237 19003 1779 1 5 . 1 1 60 60 VAL C C 60 179.934 179.934 177.424 2.510 19003 1780 1 5 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.028 0.717 19003 1781 1 5 . 1 1 60 60 VAL CB C 60 32.121 32.121 30.909 1.212 19003 1782 1 5 . 1 1 61 61 LYS N N 61 119.673 119.673 121.201 -1.528 19003 1783 1 5 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.125 0.077 19003 1784 1 5 . 1 1 61 61 LYS C C 61 180.135 180.135 178.993 1.142 19003 1785 1 5 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.418 0.019 19003 1786 1 5 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.130 0.227 19003 1787 1 5 . 1 1 61 61 LYS H H 61 8.383 8.383 8.508 -0.125 19003 1788 1 5 . 1 1 62 62 PHE N N 62 122.324 122.324 122.766 -0.442 19003 1789 1 5 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.259 0.075 19003 1790 1 5 . 1 1 62 62 PHE C C 62 177.038 177.038 177.022 0.016 19003 1791 1 5 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.565 1.126 19003 1792 1 5 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.292 -0.085 19003 1793 1 5 . 1 1 62 62 PHE H H 62 8.510 8.510 8.235 0.275 19003 1794 1 5 . 1 1 63 63 ARG N N 63 119.741 119.741 119.782 -0.041 19003 1795 1 5 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.942 0.132 19003 1796 1 5 . 1 1 63 63 ARG C C 63 178.586 178.586 178.490 0.096 19003 1797 1 5 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.601 1.578 19003 1798 1 5 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.685 1.071 19003 1799 1 5 . 1 1 63 63 ARG H H 63 8.724 8.724 8.865 -0.141 19003 1800 1 5 . 1 1 64 64 SER N N 64 113.962 113.962 115.759 -1.797 19003 1801 1 5 . 1 1 64 64 SER HA H 64 4.324 4.324 4.168 0.156 19003 1802 1 5 . 1 1 64 64 SER C C 64 177.297 177.297 176.491 0.806 19003 1803 1 5 . 1 1 64 64 SER CA C 64 61.550 61.550 62.905 -1.355 19003 1804 1 5 . 1 1 64 64 SER CB C 64 62.316 62.316 62.944 -0.628 19003 1805 1 5 . 1 1 64 64 SER H H 64 8.224 8.224 8.645 -0.421 19003 1806 1 5 . 1 1 65 65 TRP N N 65 123.490 123.490 123.531 -0.041 19003 1807 1 5 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.393 -0.240 19003 1808 1 5 . 1 1 65 65 TRP C C 65 178.318 178.318 178.444 -0.126 19003 1809 1 5 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.220 1.492 19003 1810 1 5 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.441 -2.154 19003 1811 1 5 . 1 1 65 65 TRP H H 65 8.054 8.054 8.172 -0.118 19003 1812 1 5 . 1 1 66 66 TRP N N 66 122.351 122.351 120.438 1.913 19003 1813 1 5 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.107 -0.019 19003 1814 1 5 . 1 1 66 66 TRP C C 66 178.959 178.959 176.443 2.516 19003 1815 1 5 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.742 1.511 19003 1816 1 5 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.432 0.078 19003 1817 1 5 . 1 1 66 66 TRP H H 66 9.333 9.333 8.860 0.473 19003 1818 1 5 . 1 1 67 67 ASN N N 67 115.529 115.529 115.503 0.026 19003 1819 1 5 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.606 -0.230 19003 1820 1 5 . 1 1 67 67 ASN C C 67 176.591 176.591 175.323 1.268 19003 1821 1 5 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.765 0.543 19003 1822 1 5 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.551 -0.056 19003 1823 1 5 . 1 1 67 67 ASN H H 67 8.586 8.586 8.356 0.230 19003 1824 1 5 . 1 1 68 68 SER N N 68 114.677 114.677 113.956 0.721 19003 1825 1 5 . 1 1 68 68 SER HA H 68 4.332 4.332 4.392 -0.060 19003 1826 1 5 . 1 1 68 68 SER C C 68 174.581 174.581 174.413 0.168 19003 1827 1 5 . 1 1 68 68 SER CA C 68 59.578 59.578 60.046 -0.468 19003 1828 1 5 . 1 1 68 68 SER CB C 68 63.670 63.670 63.797 -0.127 19003 1829 1 5 . 1 1 68 68 SER H H 68 7.600 7.600 7.541 0.059 19003 1830 1 5 . 1 1 69 69 ARG N N 69 121.618 121.618 119.480 2.138 19003 1831 1 5 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.391 -0.512 19003 1832 1 5 . 1 1 69 69 ARG C C 69 176.963 176.963 177.294 -0.331 19003 1833 1 5 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.198 -0.111 19003 1834 1 5 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.622 -0.667 19003 1835 1 5 . 1 1 69 69 ARG H H 69 6.992 6.992 7.173 -0.181 19003 1836 1 5 . 1 1 70 70 THR N N 70 114.140 114.140 114.218 -0.078 19003 1837 1 5 . 1 1 70 70 THR HA H 70 4.030 4.030 3.950 0.080 19003 1838 1 5 . 1 1 70 70 THR C C 70 174.506 174.506 174.656 -0.150 19003 1839 1 5 . 1 1 70 70 THR CA C 70 62.513 62.513 63.326 -0.813 19003 1840 1 5 . 1 1 70 70 THR CB C 70 69.378 69.378 68.942 0.436 19003 1841 1 5 . 1 1 71 71 LYS N N 71 123.490 123.490 115.634 7.856 19003 1842 1 5 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.861 0.326 19003 1843 1 5 . 1 1 71 71 LYS C C 71 176.531 176.531 175.569 0.962 19003 1844 1 5 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.965 -0.679 19003 1845 1 5 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.576 2.048 19003 1846 1 5 . 1 1 71 71 LYS H H 71 8.051 8.051 7.775 0.276 19003 1847 1 5 . 1 1 72 72 MET N N 72 121.388 121.388 113.237 8.151 19003 1848 1 5 . 1 1 72 72 MET HA H 72 4.376 4.376 4.406 -0.030 19003 1849 1 5 . 1 1 72 72 MET C C 72 176.115 176.115 175.320 0.795 19003 1850 1 5 . 1 1 72 72 MET CA C 72 55.397 55.397 57.388 -1.991 19003 1851 1 5 . 1 1 72 72 MET CB C 72 32.446 32.446 32.206 0.240 19003 1852 1 5 . 1 1 72 72 MET H H 72 8.305 8.305 7.169 1.136 19003 1853 1 5 . 1 1 73 73 ALA N N 73 124.890 124.890 121.119 3.771 19003 1854 1 5 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.915 -0.686 19003 1855 1 5 . 1 1 73 73 ALA C C 73 177.499 177.499 177.377 0.122 19003 1856 1 5 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.472 1.167 19003 1857 1 5 . 1 1 73 73 ALA CB C 73 19.103 19.103 19.705 -0.602 19003 1858 1 5 . 1 1 73 73 ALA H H 73 8.272 8.272 8.526 -0.254 19003 1859 1 5 . 1 1 74 74 ASN N N 74 117.940 117.940 119.760 -1.820 19003 1860 1 5 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.332 0.298 19003 1861 1 5 . 1 1 74 74 ASN C C 74 174.893 174.893 175.462 -0.569 19003 1862 1 5 . 1 1 74 74 ASN CA C 74 53.084 53.084 57.202 -4.118 19003 1863 1 5 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.838 1.280 19003 1864 1 5 . 1 1 74 74 ASN H H 74 8.408 8.408 8.512 -0.104 19003 1865 1 5 . 1 1 75 75 ASP N N 75 120.439 120.439 117.529 2.910 19003 1866 1 5 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.825 -0.283 19003 1867 1 5 . 1 1 75 75 ASP C C 75 175.861 175.861 175.654 0.207 19003 1868 1 5 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.131 1.109 19003 1869 1 5 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.645 0.430 19003 1870 1 5 . 1 1 75 75 ASP H H 75 8.298 8.298 8.140 0.158 19003 1871 1 6 . 1 1 11 11 THR N N 11 114.405 114.405 113.179 1.226 19003 1872 1 6 . 1 1 11 11 THR HA H 11 4.246 4.246 4.258 -0.012 19003 1873 1 6 . 1 1 11 11 THR C C 11 174.586 174.586 172.426 2.160 19003 1874 1 6 . 1 1 11 11 THR CA C 11 62.246 62.246 60.471 1.775 19003 1875 1 6 . 1 1 11 11 THR CB C 11 69.310 69.310 70.358 -1.048 19003 1876 1 6 . 1 1 12 12 TYR N N 12 123.008 123.008 119.351 3.657 19003 1877 1 6 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.913 -0.518 19003 1878 1 6 . 1 1 12 12 TYR C C 12 176.070 176.070 174.476 1.594 19003 1879 1 6 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.991 1.519 19003 1880 1 6 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.643 -2.059 19003 1881 1 6 . 1 1 12 12 TYR H H 12 8.274 8.274 7.996 0.278 19003 1882 1 6 . 1 1 13 13 ARG N N 13 123.852 123.852 119.921 3.931 19003 1883 1 6 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.380 -0.130 19003 1884 1 6 . 1 1 13 13 ARG C C 13 176.829 176.829 175.172 1.657 19003 1885 1 6 . 1 1 13 13 ARG CA C 13 56.375 56.375 56.249 0.126 19003 1886 1 6 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.895 -2.406 19003 1887 1 6 . 1 1 13 13 ARG H H 13 8.371 8.371 8.591 -0.220 19003 1888 1 6 . 1 1 14 14 GLY N N 14 108.394 108.394 111.540 -3.146 19003 1889 1 6 . 1 1 14 14 GLY C C 14 173.911 173.911 173.180 0.731 19003 1890 1 6 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.252 -0.085 19003 1891 1 6 . 1 1 14 14 GLY H H 14 7.646 7.646 8.842 -1.196 19003 1892 1 6 . 1 1 15 15 ARG N N 15 121.238 121.238 117.359 3.879 19003 1893 1 6 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.538 -0.272 19003 1894 1 6 . 1 1 15 15 ARG C C 15 177.053 177.053 175.730 1.323 19003 1895 1 6 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.849 1.437 19003 1896 1 6 . 1 1 15 15 ARG CB C 15 30.578 30.578 30.732 -0.154 19003 1897 1 6 . 1 1 15 15 ARG H H 15 8.568 8.568 8.007 0.561 19003 1898 1 6 . 1 1 16 16 GLY N N 16 110.085 110.085 108.465 1.620 19003 1899 1 6 . 1 1 16 16 GLY C C 16 173.911 173.911 174.404 -0.493 19003 1900 1 6 . 1 1 16 16 GLY CA C 16 45.523 45.523 44.918 0.605 19003 1901 1 6 . 1 1 16 16 GLY H H 16 8.525 8.525 8.505 0.020 19003 1902 1 6 . 1 1 17 17 VAL N N 17 119.300 119.300 118.166 1.134 19003 1903 1 6 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.084 -0.035 19003 1904 1 6 . 1 1 17 17 VAL C C 17 175.147 175.147 175.795 -0.648 19003 1905 1 6 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.511 -0.621 19003 1906 1 6 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.176 0.537 19003 1907 1 6 . 1 1 18 18 ALA N N 18 128.131 128.131 128.456 -0.325 19003 1908 1 6 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.110 0.224 19003 1909 1 6 . 1 1 18 18 ALA C C 18 177.082 177.082 176.677 0.405 19003 1910 1 6 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.807 0.208 19003 1911 1 6 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.889 0.125 19003 1912 1 6 . 1 1 18 18 ALA H H 18 8.367 8.367 8.293 0.074 19003 1913 1 6 . 1 1 19 19 LEU N N 19 122.503 122.503 117.200 5.303 19003 1914 1 6 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.077 0.561 19003 1915 1 6 . 1 1 19 19 LEU C C 19 177.058 177.058 176.491 0.567 19003 1916 1 6 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.999 -1.403 19003 1917 1 6 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.820 2.012 19003 1918 1 6 . 1 1 19 19 LEU H H 19 8.160 8.160 7.695 0.465 19003 1919 1 6 . 1 1 20 20 THR N N 20 115.199 115.199 114.906 0.293 19003 1920 1 6 . 1 1 20 20 THR HA H 20 4.524 4.524 4.263 0.261 19003 1921 1 6 . 1 1 20 20 THR C C 20 177.950 177.950 175.478 2.472 19003 1922 1 6 . 1 1 20 20 THR CA C 20 61.001 61.001 62.066 -1.065 19003 1923 1 6 . 1 1 20 20 THR CB C 20 70.697 70.697 70.064 0.633 19003 1924 1 6 . 1 1 21 21 ASP N N 21 121.413 121.413 121.193 0.220 19003 1925 1 6 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.467 0.049 19003 1926 1 6 . 1 1 21 21 ASP C C 21 178.378 178.378 177.878 0.500 19003 1927 1 6 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.638 -0.840 19003 1928 1 6 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.151 -1.233 19003 1929 1 6 . 1 1 21 21 ASP H H 21 8.962 8.962 8.945 0.017 19003 1930 1 6 . 1 1 22 22 ASP N N 22 117.981 117.981 120.371 -2.390 19003 1931 1 6 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.548 0.008 19003 1932 1 6 . 1 1 22 22 ASP C C 22 178.869 178.869 178.396 0.473 19003 1933 1 6 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.699 0.010 19003 1934 1 6 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.701 -0.427 19003 1935 1 6 . 1 1 22 22 ASP H H 22 8.467 8.467 8.714 -0.247 19003 1936 1 6 . 1 1 23 23 GLU N N 23 120.900 120.900 120.222 0.678 19003 1937 1 6 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.266 -0.088 19003 1938 1 6 . 1 1 23 23 GLU C C 23 178.452 178.452 178.604 -0.152 19003 1939 1 6 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.663 0.004 19003 1940 1 6 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.895 0.793 19003 1941 1 6 . 1 1 23 23 GLU H H 23 7.933 7.933 8.732 -0.799 19003 1942 1 6 . 1 1 24 24 TYR N N 24 119.764 119.764 119.813 -0.049 19003 1943 1 6 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.924 0.399 19003 1944 1 6 . 1 1 24 24 TYR C C 24 177.589 177.589 177.640 -0.051 19003 1945 1 6 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.678 0.820 19003 1946 1 6 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.542 -0.063 19003 1947 1 6 . 1 1 24 24 TYR H H 24 8.539 8.539 7.566 0.973 19003 1948 1 6 . 1 1 25 25 ASP N N 25 119.296 119.296 119.069 0.227 19003 1949 1 6 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.401 0.075 19003 1950 1 6 . 1 1 25 25 ASP C C 25 179.078 179.078 179.057 0.021 19003 1951 1 6 . 1 1 25 25 ASP CA C 25 57.532 57.532 58.178 -0.646 19003 1952 1 6 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.716 -0.535 19003 1953 1 6 . 1 1 25 25 ASP H H 25 8.369 8.369 7.951 0.418 19003 1954 1 6 . 1 1 26 26 GLU N N 26 121.770 121.770 119.721 2.049 19003 1955 1 6 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.362 -0.157 19003 1956 1 6 . 1 1 26 26 GLU C C 26 177.514 177.514 178.695 -1.181 19003 1957 1 6 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.272 1.128 19003 1958 1 6 . 1 1 26 26 GLU CB C 26 30.777 30.777 30.019 0.758 19003 1959 1 6 . 1 1 26 26 GLU H H 26 8.356 8.356 8.469 -0.113 19003 1960 1 6 . 1 1 27 27 TRP N N 27 122.248 122.248 122.428 -0.180 19003 1961 1 6 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.345 -0.167 19003 1962 1 6 . 1 1 27 27 TRP C C 27 177.873 177.873 177.145 0.728 19003 1963 1 6 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.978 -1.093 19003 1964 1 6 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.502 2.076 19003 1965 1 6 . 1 1 27 27 TRP H H 27 8.314 8.314 8.249 0.065 19003 1966 1 6 . 1 1 28 28 ARG N N 28 117.274 117.274 117.368 -0.094 19003 1967 1 6 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.065 0.005 19003 1968 1 6 . 1 1 28 28 ARG C C 28 179.775 179.775 178.420 1.355 19003 1969 1 6 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.425 -1.004 19003 1970 1 6 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.397 0.337 19003 1971 1 6 . 1 1 28 28 ARG H H 28 7.974 7.974 7.276 0.698 19003 1972 1 6 . 1 1 29 29 GLU N N 29 121.770 121.770 119.949 1.821 19003 1973 1 6 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.085 -0.036 19003 1974 1 6 . 1 1 29 29 GLU C C 29 178.720 178.720 178.237 0.483 19003 1975 1 6 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.241 -0.286 19003 1976 1 6 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.780 -0.269 19003 1977 1 6 . 1 1 29 29 GLU H H 29 8.591 8.591 7.682 0.909 19003 1978 1 6 . 1 1 30 30 HIS N N 30 121.863 121.863 119.356 2.507 19003 1979 1 6 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.401 -1.266 19003 1980 1 6 . 1 1 30 30 HIS C C 30 176.308 176.308 177.613 -1.305 19003 1981 1 6 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.359 0.894 19003 1982 1 6 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.144 -2.275 19003 1983 1 6 . 1 1 30 30 HIS H H 30 8.723 8.723 8.600 0.123 19003 1984 1 6 . 1 1 31 31 ASN N N 31 117.257 117.257 117.348 -0.091 19003 1985 1 6 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.086 -0.030 19003 1986 1 6 . 1 1 31 31 ASN C C 31 178.035 178.035 176.874 1.161 19003 1987 1 6 . 1 1 31 31 ASN CA C 31 55.179 55.179 55.947 -0.767 19003 1988 1 6 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.200 -1.377 19003 1989 1 6 . 1 1 31 31 ASN H H 31 7.405 7.405 8.230 -0.825 19003 1990 1 6 . 1 1 32 32 ALA N N 32 120.650 120.650 121.735 -1.085 19003 1991 1 6 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.930 0.135 19003 1992 1 6 . 1 1 32 32 ALA C C 32 180.463 180.463 179.622 0.841 19003 1993 1 6 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.893 -0.208 19003 1994 1 6 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.522 -0.309 19003 1995 1 6 . 1 1 32 32 ALA H H 32 7.905 7.905 7.195 0.710 19003 1996 1 6 . 1 1 33 33 SER N N 33 112.890 112.890 114.056 -1.166 19003 1997 1 6 . 1 1 33 33 SER HA H 33 4.205 4.205 4.316 -0.111 19003 1998 1 6 . 1 1 33 33 SER CA C 33 61.074 61.074 61.102 -0.028 19003 1999 1 6 . 1 1 33 33 SER CB C 33 63.834 63.834 63.761 0.073 19003 2000 1 6 . 1 1 33 33 SER H H 33 8.569 8.569 8.406 0.163 19003 2001 1 6 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.145 0.016 19003 2002 1 6 . 1 1 34 34 ARG C C 34 174.641 174.641 175.340 -0.699 19003 2003 1 6 . 1 1 34 34 ARG CA C 34 56.019 56.019 55.181 0.838 19003 2004 1 6 . 1 1 35 35 LYS N N 35 117.509 117.509 115.588 1.921 19003 2005 1 6 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.961 -0.073 19003 2006 1 6 . 1 1 35 35 LYS C C 35 175.501 175.501 175.984 -0.483 19003 2007 1 6 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.143 -0.056 19003 2008 1 6 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.464 -0.754 19003 2009 1 6 . 1 1 35 35 LYS H H 35 7.492 7.492 7.630 -0.138 19003 2010 1 6 . 1 1 36 36 LEU N N 36 118.727 118.727 115.918 2.809 19003 2011 1 6 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.506 0.089 19003 2012 1 6 . 1 1 36 36 LEU C C 36 175.281 175.281 176.265 -0.984 19003 2013 1 6 . 1 1 36 36 LEU CA C 36 52.791 52.791 53.169 -0.378 19003 2014 1 6 . 1 1 36 36 LEU CB C 36 46.374 46.374 42.518 3.856 19003 2015 1 6 . 1 1 36 36 LEU H H 36 8.165 8.165 7.201 0.964 19003 2016 1 6 . 1 1 37 37 ASP N N 37 121.035 121.035 120.605 0.430 19003 2017 1 6 . 1 1 37 37 ASP HA H 37 4.740 4.740 5.172 -0.432 19003 2018 1 6 . 1 1 37 37 ASP C C 37 175.921 175.921 175.472 0.449 19003 2019 1 6 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.749 -0.958 19003 2020 1 6 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.467 -0.167 19003 2021 1 6 . 1 1 37 37 ASP H H 37 8.403 8.403 8.225 0.178 19003 2022 1 6 . 1 1 38 38 LEU N N 38 119.070 119.070 122.599 -3.529 19003 2023 1 6 . 1 1 38 38 LEU HA H 38 4.661 4.661 5.001 -0.340 19003 2024 1 6 . 1 1 38 38 LEU C C 38 180.209 180.209 175.777 4.432 19003 2025 1 6 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.307 2.001 19003 2026 1 6 . 1 1 38 38 LEU CB C 38 43.210 43.210 45.373 -2.163 19003 2027 1 6 . 1 1 38 38 LEU H H 38 7.515 7.515 7.950 -0.435 19003 2028 1 6 . 1 1 39 39 SER N N 39 122.093 122.093 115.283 6.810 19003 2029 1 6 . 1 1 39 39 SER HA H 39 4.663 4.663 4.887 -0.224 19003 2030 1 6 . 1 1 39 39 SER C C 39 174.730 174.730 175.288 -0.558 19003 2031 1 6 . 1 1 39 39 SER CA C 39 57.343 57.343 56.910 0.432 19003 2032 1 6 . 1 1 39 39 SER CB C 39 64.879 64.879 65.150 -0.272 19003 2033 1 6 . 1 1 39 39 SER H H 39 9.706 9.706 9.362 0.344 19003 2034 1 6 . 1 1 40 40 VAL N N 40 122.917 122.917 123.744 -0.827 19003 2035 1 6 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.096 0.572 19003 2036 1 6 . 1 1 40 40 VAL C C 40 177.187 177.187 177.080 0.107 19003 2037 1 6 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.508 0.864 19003 2038 1 6 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.659 0.194 19003 2039 1 6 . 1 1 41 41 GLU N N 41 118.661 118.661 118.604 0.057 19003 2040 1 6 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.814 0.001 19003 2041 1 6 . 1 1 41 41 GLU C C 41 179.108 179.108 178.505 0.603 19003 2042 1 6 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.035 0.699 19003 2043 1 6 . 1 1 41 41 GLU CB C 41 28.888 28.888 29.144 -0.256 19003 2044 1 6 . 1 1 41 41 GLU H H 41 8.725 8.725 8.568 0.157 19003 2045 1 6 . 1 1 42 42 ASP N N 42 120.291 120.291 119.157 1.134 19003 2046 1 6 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.309 0.115 19003 2047 1 6 . 1 1 42 42 ASP C C 42 179.703 179.703 178.353 1.350 19003 2048 1 6 . 1 1 42 42 ASP CA C 42 57.443 57.443 56.944 0.499 19003 2049 1 6 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.372 -0.365 19003 2050 1 6 . 1 1 42 42 ASP H H 42 7.979 7.979 7.518 0.461 19003 2051 1 6 . 1 1 43 43 PHE N N 43 123.091 123.091 121.489 1.602 19003 2052 1 6 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.074 -0.064 19003 2053 1 6 . 1 1 43 43 PHE C C 43 175.459 175.459 176.580 -1.121 19003 2054 1 6 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.124 0.024 19003 2055 1 6 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.149 0.584 19003 2056 1 6 . 1 1 43 43 PHE H H 43 8.656 8.656 7.538 1.118 19003 2057 1 6 . 1 1 44 44 LEU N N 44 119.965 119.965 118.667 1.298 19003 2058 1 6 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.700 -0.270 19003 2059 1 6 . 1 1 44 44 LEU C C 44 180.537 180.537 178.872 1.665 19003 2060 1 6 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.770 -0.054 19003 2061 1 6 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.770 0.455 19003 2062 1 6 . 1 1 44 44 LEU H H 44 8.702 8.702 8.595 0.107 19003 2063 1 6 . 1 1 45 45 MET N N 45 118.100 118.100 118.548 -0.448 19003 2064 1 6 . 1 1 45 45 MET HA H 45 4.117 4.117 4.064 0.053 19003 2065 1 6 . 1 1 45 45 MET C C 45 178.274 178.274 178.757 -0.483 19003 2066 1 6 . 1 1 45 45 MET CA C 45 58.421 58.421 59.307 -0.886 19003 2067 1 6 . 1 1 45 45 MET CB C 45 32.268 32.268 32.639 -0.371 19003 2068 1 6 . 1 1 45 45 MET H H 45 7.829 7.829 7.989 -0.160 19003 2069 1 6 . 1 1 46 46 LEU N N 46 123.359 123.359 119.474 3.885 19003 2070 1 6 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.697 0.145 19003 2071 1 6 . 1 1 46 46 LEU C C 46 176.531 176.531 179.024 -2.493 19003 2072 1 6 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.468 0.150 19003 2073 1 6 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.454 1.339 19003 2074 1 6 . 1 1 46 46 LEU H H 46 7.659 7.659 7.747 -0.088 19003 2075 1 6 . 1 1 47 47 ARG N N 47 118.271 118.271 117.888 0.383 19003 2076 1 6 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.596 -0.845 19003 2077 1 6 . 1 1 47 47 ARG C C 47 178.363 178.363 177.951 0.412 19003 2078 1 6 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.251 -1.247 19003 2079 1 6 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.702 0.405 19003 2080 1 6 . 1 1 47 47 ARG H H 47 7.955 7.955 7.739 0.216 19003 2081 1 6 . 1 1 48 48 HIS N N 48 117.915 117.915 118.740 -0.825 19003 2082 1 6 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.047 0.178 19003 2083 1 6 . 1 1 48 48 HIS C C 48 177.097 177.097 177.624 -0.527 19003 2084 1 6 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.440 -0.129 19003 2085 1 6 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.802 0.776 19003 2086 1 6 . 1 1 48 48 HIS H H 48 7.609 7.609 8.228 -0.619 19003 2087 1 6 . 1 1 49 49 ARG N N 49 116.831 116.831 118.273 -1.442 19003 2088 1 6 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.890 0.088 19003 2089 1 6 . 1 1 49 49 ARG C C 49 179.242 179.242 178.698 0.544 19003 2090 1 6 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.464 -0.405 19003 2091 1 6 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.973 -1.283 19003 2092 1 6 . 1 1 49 49 ARG H H 49 7.980 7.980 8.521 -0.541 19003 2093 1 6 . 1 1 50 50 ALA N N 50 122.916 122.916 122.769 0.147 19003 2094 1 6 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.178 -0.198 19003 2095 1 6 . 1 1 50 50 ALA C C 50 181.207 181.207 179.554 1.653 19003 2096 1 6 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.807 0.234 19003 2097 1 6 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.498 0.694 19003 2098 1 6 . 1 1 50 50 ALA H H 50 8.734 8.734 7.820 0.914 19003 2099 1 6 . 1 1 51 51 ALA N N 51 122.005 122.005 120.545 1.460 19003 2100 1 6 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.083 0.030 19003 2101 1 6 . 1 1 51 51 ALA C C 51 179.033 179.033 179.518 -0.485 19003 2102 1 6 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.703 -0.120 19003 2103 1 6 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.885 -0.866 19003 2104 1 6 . 1 1 51 51 ALA H H 51 7.861 7.861 8.141 -0.280 19003 2105 1 6 . 1 1 52 52 LEU N N 52 117.205 117.205 117.135 0.070 19003 2106 1 6 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.350 -0.092 19003 2107 1 6 . 1 1 52 52 LEU C C 52 177.842 177.842 178.400 -0.558 19003 2108 1 6 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.404 -1.781 19003 2109 1 6 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.715 -1.106 19003 2110 1 6 . 1 1 52 52 LEU H H 52 7.277 7.277 8.567 -1.290 19003 2111 1 6 . 1 1 53 53 GLY N N 53 105.824 105.824 102.739 3.085 19003 2112 1 6 . 1 1 53 53 GLY C C 53 174.745 174.745 173.160 1.585 19003 2113 1 6 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.961 0.562 19003 2114 1 6 . 1 1 53 53 GLY H H 53 7.616 7.616 7.797 -0.181 19003 2115 1 6 . 1 1 54 54 ALA N N 54 122.086 122.086 123.043 -0.957 19003 2116 1 6 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.652 -0.425 19003 2117 1 6 . 1 1 54 54 ALA C C 54 178.035 178.035 175.774 2.261 19003 2118 1 6 . 1 1 54 54 ALA CA C 54 53.440 53.440 50.970 2.470 19003 2119 1 6 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.028 -1.303 19003 2120 1 6 . 1 1 54 54 ALA H H 54 7.637 7.637 8.164 -0.527 19003 2121 1 6 . 1 1 55 55 ASP N N 55 118.303 118.303 122.365 -4.062 19003 2122 1 6 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.785 -0.039 19003 2123 1 6 . 1 1 55 55 ASP C C 55 176.129 176.129 174.829 1.300 19003 2124 1 6 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.776 -0.781 19003 2125 1 6 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.064 -0.722 19003 2126 1 6 . 1 1 55 55 ASP H H 55 8.540 8.540 8.483 0.057 19003 2127 1 6 . 1 1 56 56 ASP N N 56 116.381 116.381 120.496 -4.115 19003 2128 1 6 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.618 -0.005 19003 2129 1 6 . 1 1 56 56 ASP C C 56 175.638 175.638 177.448 -1.810 19003 2130 1 6 . 1 1 56 56 ASP CA C 56 53.529 53.529 53.961 -0.432 19003 2131 1 6 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.211 -0.157 19003 2132 1 6 . 1 1 56 56 ASP H H 56 7.469 7.469 7.875 -0.406 19003 2133 1 6 . 1 1 57 57 ASN N N 57 118.913 118.913 125.269 -6.356 19003 2134 1 6 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.317 0.014 19003 2135 1 6 . 1 1 57 57 ASN C C 57 176.963 176.963 176.615 0.348 19003 2136 1 6 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.440 0.914 19003 2137 1 6 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.186 1.110 19003 2138 1 6 . 1 1 57 57 ASN H H 57 9.033 9.033 8.949 0.084 19003 2139 1 6 . 1 1 58 58 ASP N N 58 117.610 117.610 120.402 -2.792 19003 2140 1 6 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.396 0.089 19003 2141 1 6 . 1 1 58 58 ASP C C 58 178.944 178.944 178.169 0.775 19003 2142 1 6 . 1 1 58 58 ASP CA C 58 57.621 57.621 56.803 0.818 19003 2143 1 6 . 1 1 58 58 ASP CB C 58 40.007 40.007 39.932 0.075 19003 2144 1 6 . 1 1 58 58 ASP H H 58 8.519 8.519 7.892 0.627 19003 2145 1 6 . 1 1 59 59 ALA N N 59 126.800 126.800 121.570 5.230 19003 2146 1 6 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.132 -0.154 19003 2147 1 6 . 1 1 59 59 ALA C C 59 178.974 178.974 179.412 -0.438 19003 2148 1 6 . 1 1 59 59 ALA CA C 59 55.752 55.752 54.901 0.851 19003 2149 1 6 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.720 0.383 19003 2150 1 6 . 1 1 59 59 ALA H H 59 8.067 8.067 7.908 0.159 19003 2151 1 6 . 1 1 60 60 VAL N N 60 119.673 119.673 117.096 2.577 19003 2152 1 6 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.845 -0.256 19003 2153 1 6 . 1 1 60 60 VAL C C 60 179.934 179.934 177.954 1.980 19003 2154 1 6 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.288 1.457 19003 2155 1 6 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.222 0.899 19003 2156 1 6 . 1 1 61 61 LYS N N 61 119.673 119.673 120.666 -0.993 19003 2157 1 6 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.214 -0.012 19003 2158 1 6 . 1 1 61 61 LYS C C 61 180.135 180.135 179.144 0.991 19003 2159 1 6 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.166 0.271 19003 2160 1 6 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.067 0.290 19003 2161 1 6 . 1 1 61 61 LYS H H 61 8.383 8.383 8.520 -0.137 19003 2162 1 6 . 1 1 62 62 PHE N N 62 122.324 122.324 121.676 0.648 19003 2163 1 6 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.355 -0.021 19003 2164 1 6 . 1 1 62 62 PHE C C 62 177.038 177.038 176.760 0.278 19003 2165 1 6 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.662 1.029 19003 2166 1 6 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.185 0.022 19003 2167 1 6 . 1 1 62 62 PHE H H 62 8.510 8.510 7.685 0.825 19003 2168 1 6 . 1 1 63 63 ARG N N 63 119.741 119.741 119.632 0.109 19003 2169 1 6 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.986 0.088 19003 2170 1 6 . 1 1 63 63 ARG C C 63 178.586 178.586 178.886 -0.300 19003 2171 1 6 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.146 2.033 19003 2172 1 6 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.469 1.287 19003 2173 1 6 . 1 1 63 63 ARG H H 63 8.724 8.724 8.775 -0.051 19003 2174 1 6 . 1 1 64 64 SER N N 64 113.962 113.962 116.789 -2.827 19003 2175 1 6 . 1 1 64 64 SER HA H 64 4.324 4.324 4.157 0.167 19003 2176 1 6 . 1 1 64 64 SER C C 64 177.297 177.297 175.816 1.481 19003 2177 1 6 . 1 1 64 64 SER CA C 64 61.550 61.550 61.146 0.404 19003 2178 1 6 . 1 1 64 64 SER CB C 64 62.316 62.316 62.548 -0.232 19003 2179 1 6 . 1 1 64 64 SER H H 64 8.224 8.224 8.392 -0.168 19003 2180 1 6 . 1 1 65 65 TRP N N 65 123.490 123.490 123.661 -0.171 19003 2181 1 6 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.637 -0.484 19003 2182 1 6 . 1 1 65 65 TRP C C 65 178.318 178.318 177.911 0.407 19003 2183 1 6 . 1 1 65 65 TRP CA C 65 61.712 61.712 58.990 2.722 19003 2184 1 6 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.741 -2.454 19003 2185 1 6 . 1 1 65 65 TRP H H 65 8.054 8.054 7.393 0.661 19003 2186 1 6 . 1 1 66 66 TRP N N 66 122.351 122.351 121.418 0.933 19003 2187 1 6 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.297 -0.209 19003 2188 1 6 . 1 1 66 66 TRP C C 66 178.959 178.959 176.232 2.727 19003 2189 1 6 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.472 1.781 19003 2190 1 6 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.849 -0.340 19003 2191 1 6 . 1 1 66 66 TRP H H 66 9.333 9.333 8.692 0.641 19003 2192 1 6 . 1 1 67 67 ASN N N 67 115.529 115.529 116.023 -0.494 19003 2193 1 6 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.453 -0.077 19003 2194 1 6 . 1 1 67 67 ASN C C 67 176.591 176.591 175.603 0.988 19003 2195 1 6 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.106 0.202 19003 2196 1 6 . 1 1 67 67 ASN CB C 67 38.495 38.495 37.940 0.555 19003 2197 1 6 . 1 1 67 67 ASN H H 67 8.586 8.586 8.512 0.074 19003 2198 1 6 . 1 1 68 68 SER N N 68 114.677 114.677 112.718 1.959 19003 2199 1 6 . 1 1 68 68 SER HA H 68 4.332 4.332 4.424 -0.092 19003 2200 1 6 . 1 1 68 68 SER C C 68 174.581 174.581 174.727 -0.146 19003 2201 1 6 . 1 1 68 68 SER CA C 68 59.578 59.578 59.059 0.518 19003 2202 1 6 . 1 1 68 68 SER CB C 68 63.670 63.670 63.797 -0.127 19003 2203 1 6 . 1 1 68 68 SER H H 68 7.600 7.600 7.439 0.161 19003 2204 1 6 . 1 1 69 69 ARG N N 69 121.618 121.618 118.533 3.085 19003 2205 1 6 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.386 -0.507 19003 2206 1 6 . 1 1 69 69 ARG C C 69 176.963 176.963 177.166 -0.203 19003 2207 1 6 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.107 -0.020 19003 2208 1 6 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.789 -0.834 19003 2209 1 6 . 1 1 69 69 ARG H H 69 6.992 6.992 7.138 -0.146 19003 2210 1 6 . 1 1 70 70 THR N N 70 114.140 114.140 114.055 0.085 19003 2211 1 6 . 1 1 70 70 THR HA H 70 4.030 4.030 4.021 0.009 19003 2212 1 6 . 1 1 70 70 THR C C 70 174.506 174.506 174.022 0.484 19003 2213 1 6 . 1 1 70 70 THR CA C 70 62.513 62.513 62.222 0.291 19003 2214 1 6 . 1 1 70 70 THR CB C 70 69.378 69.378 69.216 0.162 19003 2215 1 6 . 1 1 71 71 LYS N N 71 123.490 123.490 116.636 6.854 19003 2216 1 6 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.909 0.278 19003 2217 1 6 . 1 1 71 71 LYS C C 71 176.531 176.531 176.235 0.296 19003 2218 1 6 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.673 -0.387 19003 2219 1 6 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.017 2.607 19003 2220 1 6 . 1 1 71 71 LYS H H 71 8.051 8.051 7.768 0.283 19003 2221 1 6 . 1 1 72 72 MET N N 72 121.388 121.388 114.512 6.876 19003 2222 1 6 . 1 1 72 72 MET HA H 72 4.376 4.376 4.293 0.083 19003 2223 1 6 . 1 1 72 72 MET C C 72 176.115 176.115 176.044 0.071 19003 2224 1 6 . 1 1 72 72 MET CA C 72 55.397 55.397 57.901 -2.504 19003 2225 1 6 . 1 1 72 72 MET CB C 72 32.446 32.446 31.522 0.924 19003 2226 1 6 . 1 1 72 72 MET H H 72 8.305 8.305 7.896 0.409 19003 2227 1 6 . 1 1 73 73 ALA N N 73 124.890 124.890 122.300 2.590 19003 2228 1 6 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.350 -0.121 19003 2229 1 6 . 1 1 73 73 ALA C C 73 177.499 177.499 177.285 0.214 19003 2230 1 6 . 1 1 73 73 ALA CA C 73 52.639 52.639 52.307 0.332 19003 2231 1 6 . 1 1 73 73 ALA CB C 73 19.103 19.103 18.513 0.590 19003 2232 1 6 . 1 1 73 73 ALA H H 73 8.272 8.272 8.378 -0.106 19003 2233 1 6 . 1 1 74 74 ASN N N 74 117.940 117.940 121.464 -3.524 19003 2234 1 6 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.499 0.131 19003 2235 1 6 . 1 1 74 74 ASN C C 74 174.893 174.893 175.155 -0.262 19003 2236 1 6 . 1 1 74 74 ASN CA C 74 53.084 53.084 53.737 -0.653 19003 2237 1 6 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.377 1.741 19003 2238 1 6 . 1 1 74 74 ASN H H 74 8.408 8.408 8.952 -0.544 19003 2239 1 6 . 1 1 75 75 ASP N N 75 120.439 120.439 115.270 5.169 19003 2240 1 6 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.179 0.363 19003 2241 1 6 . 1 1 75 75 ASP C C 75 175.861 175.861 175.206 0.655 19003 2242 1 6 . 1 1 75 75 ASP CA C 75 54.240 54.240 55.595 -1.355 19003 2243 1 6 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.011 1.064 19003 2244 1 6 . 1 1 75 75 ASP H H 75 8.298 8.298 8.473 -0.175 19003 2245 1 7 . 1 1 11 11 THR N N 11 114.405 114.405 113.047 1.358 19003 2246 1 7 . 1 1 11 11 THR HA H 11 4.246 4.246 4.264 -0.018 19003 2247 1 7 . 1 1 11 11 THR C C 11 174.586 174.586 172.575 2.011 19003 2248 1 7 . 1 1 11 11 THR CA C 11 62.246 62.246 60.267 1.979 19003 2249 1 7 . 1 1 11 11 THR CB C 11 69.310 69.310 70.908 -1.598 19003 2250 1 7 . 1 1 12 12 TYR N N 12 123.008 123.008 119.259 3.749 19003 2251 1 7 . 1 1 12 12 TYR HA H 12 4.395 4.395 5.056 -0.661 19003 2252 1 7 . 1 1 12 12 TYR C C 12 176.070 176.070 174.300 1.770 19003 2253 1 7 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.590 1.919 19003 2254 1 7 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.637 -2.053 19003 2255 1 7 . 1 1 12 12 TYR H H 12 8.274 8.274 8.098 0.176 19003 2256 1 7 . 1 1 13 13 ARG N N 13 123.852 123.852 119.697 4.155 19003 2257 1 7 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.370 -0.120 19003 2258 1 7 . 1 1 13 13 ARG C C 13 176.829 176.829 175.461 1.368 19003 2259 1 7 . 1 1 13 13 ARG CA C 13 56.375 56.375 56.143 0.232 19003 2260 1 7 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.730 -2.240 19003 2261 1 7 . 1 1 13 13 ARG H H 13 8.371 8.371 8.622 -0.251 19003 2262 1 7 . 1 1 14 14 GLY N N 14 108.394 108.394 110.761 -2.367 19003 2263 1 7 . 1 1 14 14 GLY C C 14 173.911 173.911 173.977 -0.066 19003 2264 1 7 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.678 -0.511 19003 2265 1 7 . 1 1 14 14 GLY H H 14 7.646 7.646 8.485 -0.839 19003 2266 1 7 . 1 1 15 15 ARG N N 15 121.238 121.238 117.791 3.447 19003 2267 1 7 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.425 -0.159 19003 2268 1 7 . 1 1 15 15 ARG C C 15 177.053 177.053 176.118 0.935 19003 2269 1 7 . 1 1 15 15 ARG CA C 15 56.286 56.286 55.011 1.275 19003 2270 1 7 . 1 1 15 15 ARG CB C 15 30.578 30.578 29.805 0.772 19003 2271 1 7 . 1 1 15 15 ARG H H 15 8.568 8.568 7.953 0.615 19003 2272 1 7 . 1 1 16 16 GLY N N 16 110.085 110.085 109.209 0.876 19003 2273 1 7 . 1 1 16 16 GLY C C 16 173.911 173.911 175.285 -1.374 19003 2274 1 7 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.191 0.332 19003 2275 1 7 . 1 1 16 16 GLY H H 16 8.525 8.525 8.410 0.115 19003 2276 1 7 . 1 1 17 17 VAL N N 17 119.300 119.300 115.606 3.694 19003 2277 1 7 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.036 0.013 19003 2278 1 7 . 1 1 17 17 VAL C C 17 175.147 175.147 176.048 -0.901 19003 2279 1 7 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.958 -1.068 19003 2280 1 7 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.115 0.598 19003 2281 1 7 . 1 1 18 18 ALA N N 18 128.131 128.131 129.554 -1.423 19003 2282 1 7 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.068 0.266 19003 2283 1 7 . 1 1 18 18 ALA C C 18 177.082 177.082 176.878 0.204 19003 2284 1 7 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.886 0.130 19003 2285 1 7 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.081 -0.067 19003 2286 1 7 . 1 1 18 18 ALA H H 18 8.367 8.367 8.308 0.059 19003 2287 1 7 . 1 1 19 19 LEU N N 19 122.503 122.503 117.603 4.900 19003 2288 1 7 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.095 0.543 19003 2289 1 7 . 1 1 19 19 LEU C C 19 177.058 177.058 176.503 0.555 19003 2290 1 7 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.494 -0.898 19003 2291 1 7 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.171 1.661 19003 2292 1 7 . 1 1 19 19 LEU H H 19 8.160 8.160 7.618 0.542 19003 2293 1 7 . 1 1 20 20 THR N N 20 115.199 115.199 114.659 0.540 19003 2294 1 7 . 1 1 20 20 THR HA H 20 4.524 4.524 4.288 0.236 19003 2295 1 7 . 1 1 20 20 THR C C 20 177.950 177.950 176.013 1.937 19003 2296 1 7 . 1 1 20 20 THR CA C 20 61.001 61.001 62.268 -1.267 19003 2297 1 7 . 1 1 20 20 THR CB C 20 70.697 70.697 70.231 0.466 19003 2298 1 7 . 1 1 21 21 ASP N N 21 121.413 121.413 121.465 -0.052 19003 2299 1 7 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.384 0.132 19003 2300 1 7 . 1 1 21 21 ASP C C 21 178.378 178.378 177.981 0.397 19003 2301 1 7 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.540 0.258 19003 2302 1 7 . 1 1 21 21 ASP CB C 21 39.918 39.918 40.638 -0.720 19003 2303 1 7 . 1 1 21 21 ASP H H 21 8.962 8.962 8.806 0.156 19003 2304 1 7 . 1 1 22 22 ASP N N 22 117.981 117.981 120.626 -2.645 19003 2305 1 7 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.533 0.023 19003 2306 1 7 . 1 1 22 22 ASP C C 22 178.869 178.869 178.204 0.665 19003 2307 1 7 . 1 1 22 22 ASP CA C 22 57.709 57.709 56.772 0.937 19003 2308 1 7 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.476 -1.202 19003 2309 1 7 . 1 1 22 22 ASP H H 22 8.467 8.467 8.210 0.257 19003 2310 1 7 . 1 1 23 23 GLU N N 23 120.900 120.900 120.747 0.153 19003 2311 1 7 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.193 -0.015 19003 2312 1 7 . 1 1 23 23 GLU C C 23 178.452 178.452 178.687 -0.235 19003 2313 1 7 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.480 0.187 19003 2314 1 7 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.709 0.979 19003 2315 1 7 . 1 1 23 23 GLU H H 23 7.933 7.933 8.706 -0.773 19003 2316 1 7 . 1 1 24 24 TYR N N 24 119.764 119.764 119.941 -0.177 19003 2317 1 7 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.878 0.445 19003 2318 1 7 . 1 1 24 24 TYR C C 24 177.589 177.589 177.455 0.134 19003 2319 1 7 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.779 0.720 19003 2320 1 7 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.525 -0.046 19003 2321 1 7 . 1 1 24 24 TYR H H 24 8.539 8.539 7.593 0.946 19003 2322 1 7 . 1 1 25 25 ASP N N 25 119.296 119.296 118.337 0.959 19003 2323 1 7 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.420 0.056 19003 2324 1 7 . 1 1 25 25 ASP C C 25 179.078 179.078 178.906 0.172 19003 2325 1 7 . 1 1 25 25 ASP CA C 25 57.532 57.532 58.135 -0.603 19003 2326 1 7 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.729 -0.548 19003 2327 1 7 . 1 1 25 25 ASP H H 25 8.369 8.369 8.164 0.205 19003 2328 1 7 . 1 1 26 26 GLU N N 26 121.770 121.770 119.235 2.535 19003 2329 1 7 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.295 -0.090 19003 2330 1 7 . 1 1 26 26 GLU C C 26 177.514 177.514 178.708 -1.194 19003 2331 1 7 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.446 0.954 19003 2332 1 7 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.394 1.383 19003 2333 1 7 . 1 1 26 26 GLU H H 26 8.356 8.356 8.454 -0.098 19003 2334 1 7 . 1 1 27 27 TRP N N 27 122.248 122.248 121.886 0.362 19003 2335 1 7 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.213 -0.035 19003 2336 1 7 . 1 1 27 27 TRP C C 27 177.873 177.873 177.292 0.581 19003 2337 1 7 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.813 -0.928 19003 2338 1 7 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.365 2.213 19003 2339 1 7 . 1 1 27 27 TRP H H 27 8.314 8.314 8.106 0.208 19003 2340 1 7 . 1 1 28 28 ARG N N 28 117.274 117.274 117.647 -0.373 19003 2341 1 7 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.065 0.005 19003 2342 1 7 . 1 1 28 28 ARG C C 28 179.775 179.775 178.452 1.323 19003 2343 1 7 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.386 -0.965 19003 2344 1 7 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.422 0.312 19003 2345 1 7 . 1 1 28 28 ARG H H 28 7.974 7.974 7.285 0.689 19003 2346 1 7 . 1 1 29 29 GLU N N 29 121.770 121.770 119.708 2.062 19003 2347 1 7 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.079 -0.030 19003 2348 1 7 . 1 1 29 29 GLU C C 29 178.720 178.720 178.276 0.444 19003 2349 1 7 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.191 -0.236 19003 2350 1 7 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.754 -0.243 19003 2351 1 7 . 1 1 29 29 GLU H H 29 8.591 8.591 7.641 0.950 19003 2352 1 7 . 1 1 30 30 HIS N N 30 121.863 121.863 119.832 2.031 19003 2353 1 7 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.376 -1.241 19003 2354 1 7 . 1 1 30 30 HIS C C 30 176.308 176.308 177.662 -1.354 19003 2355 1 7 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.405 0.848 19003 2356 1 7 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.104 -2.235 19003 2357 1 7 . 1 1 30 30 HIS H H 30 8.723 8.723 8.511 0.212 19003 2358 1 7 . 1 1 31 31 ASN N N 31 117.257 117.257 117.351 -0.094 19003 2359 1 7 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.089 -0.033 19003 2360 1 7 . 1 1 31 31 ASN C C 31 178.035 178.035 177.175 0.860 19003 2361 1 7 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.069 -0.889 19003 2362 1 7 . 1 1 31 31 ASN CB C 31 36.823 36.823 37.754 -0.931 19003 2363 1 7 . 1 1 31 31 ASN H H 31 7.405 7.405 8.010 -0.605 19003 2364 1 7 . 1 1 32 32 ALA N N 32 120.650 120.650 122.161 -1.511 19003 2365 1 7 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.989 0.076 19003 2366 1 7 . 1 1 32 32 ALA C C 32 180.463 180.463 180.217 0.246 19003 2367 1 7 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.966 -0.281 19003 2368 1 7 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.374 -0.161 19003 2369 1 7 . 1 1 32 32 ALA H H 32 7.905 7.905 7.284 0.621 19003 2370 1 7 . 1 1 33 33 SER N N 33 112.890 112.890 115.148 -2.258 19003 2371 1 7 . 1 1 33 33 SER HA H 33 4.205 4.205 4.275 -0.070 19003 2372 1 7 . 1 1 33 33 SER CA C 33 61.074 61.074 60.818 0.256 19003 2373 1 7 . 1 1 33 33 SER CB C 33 63.834 63.834 63.661 0.173 19003 2374 1 7 . 1 1 33 33 SER H H 33 8.569 8.569 8.620 -0.051 19003 2375 1 7 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.152 0.009 19003 2376 1 7 . 1 1 34 34 ARG C C 34 174.641 174.641 175.673 -1.032 19003 2377 1 7 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.645 1.374 19003 2378 1 7 . 1 1 35 35 LYS N N 35 117.509 117.509 117.311 0.198 19003 2379 1 7 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.902 -0.014 19003 2380 1 7 . 1 1 35 35 LYS C C 35 175.501 175.501 175.896 -0.395 19003 2381 1 7 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.947 0.140 19003 2382 1 7 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.614 -0.904 19003 2383 1 7 . 1 1 35 35 LYS H H 35 7.492 7.492 7.671 -0.179 19003 2384 1 7 . 1 1 36 36 LEU N N 36 118.727 118.727 115.217 3.510 19003 2385 1 7 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.607 -0.012 19003 2386 1 7 . 1 1 36 36 LEU C C 36 175.281 175.281 175.411 -0.130 19003 2387 1 7 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.939 -0.148 19003 2388 1 7 . 1 1 36 36 LEU CB C 36 46.374 46.374 44.683 1.691 19003 2389 1 7 . 1 1 36 36 LEU H H 36 8.165 8.165 7.592 0.573 19003 2390 1 7 . 1 1 37 37 ASP N N 37 121.035 121.035 119.998 1.037 19003 2391 1 7 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.974 -0.234 19003 2392 1 7 . 1 1 37 37 ASP C C 37 175.921 175.921 175.213 0.708 19003 2393 1 7 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.676 -0.885 19003 2394 1 7 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.553 -0.253 19003 2395 1 7 . 1 1 37 37 ASP H H 37 8.403 8.403 7.984 0.419 19003 2396 1 7 . 1 1 38 38 LEU N N 38 119.070 119.070 120.782 -1.712 19003 2397 1 7 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.992 -0.331 19003 2398 1 7 . 1 1 38 38 LEU C C 38 180.209 180.209 176.095 4.114 19003 2399 1 7 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.180 2.128 19003 2400 1 7 . 1 1 38 38 LEU CB C 38 43.210 43.210 45.494 -2.284 19003 2401 1 7 . 1 1 38 38 LEU H H 38 7.515 7.515 9.087 -1.572 19003 2402 1 7 . 1 1 39 39 SER N N 39 122.093 122.093 115.954 6.139 19003 2403 1 7 . 1 1 39 39 SER HA H 39 4.663 4.663 4.899 -0.236 19003 2404 1 7 . 1 1 39 39 SER C C 39 174.730 174.730 175.316 -0.586 19003 2405 1 7 . 1 1 39 39 SER CA C 39 57.343 57.343 57.805 -0.462 19003 2406 1 7 . 1 1 39 39 SER CB C 39 64.879 64.879 64.328 0.551 19003 2407 1 7 . 1 1 39 39 SER H H 39 9.706 9.706 8.345 1.361 19003 2408 1 7 . 1 1 40 40 VAL N N 40 122.917 122.917 123.310 -0.393 19003 2409 1 7 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.153 0.515 19003 2410 1 7 . 1 1 40 40 VAL C C 40 177.187 177.187 177.070 0.117 19003 2411 1 7 . 1 1 40 40 VAL CA C 40 66.372 66.372 66.187 0.185 19003 2412 1 7 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.937 -0.084 19003 2413 1 7 . 1 1 41 41 GLU N N 41 118.661 118.661 119.860 -1.199 19003 2414 1 7 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.764 0.051 19003 2415 1 7 . 1 1 41 41 GLU C C 41 179.108 179.108 178.079 1.029 19003 2416 1 7 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.592 0.142 19003 2417 1 7 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.751 0.137 19003 2418 1 7 . 1 1 41 41 GLU H H 41 8.725 8.725 8.692 0.033 19003 2419 1 7 . 1 1 42 42 ASP N N 42 120.291 120.291 119.192 1.099 19003 2420 1 7 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.314 0.110 19003 2421 1 7 . 1 1 42 42 ASP C C 42 179.703 179.703 178.352 1.351 19003 2422 1 7 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.633 -0.190 19003 2423 1 7 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.219 -0.212 19003 2424 1 7 . 1 1 42 42 ASP H H 42 7.979 7.979 8.300 -0.321 19003 2425 1 7 . 1 1 43 43 PHE N N 43 123.091 123.091 120.978 2.113 19003 2426 1 7 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.012 -0.002 19003 2427 1 7 . 1 1 43 43 PHE C C 43 175.459 175.459 176.431 -0.972 19003 2428 1 7 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.258 -0.110 19003 2429 1 7 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.218 0.515 19003 2430 1 7 . 1 1 43 43 PHE H H 43 8.656 8.656 7.537 1.119 19003 2431 1 7 . 1 1 44 44 LEU N N 44 119.965 119.965 118.770 1.195 19003 2432 1 7 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.712 -0.282 19003 2433 1 7 . 1 1 44 44 LEU C C 44 180.537 180.537 178.977 1.560 19003 2434 1 7 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.806 -0.090 19003 2435 1 7 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.682 0.543 19003 2436 1 7 . 1 1 44 44 LEU H H 44 8.702 8.702 8.722 -0.020 19003 2437 1 7 . 1 1 45 45 MET N N 45 118.100 118.100 118.293 -0.193 19003 2438 1 7 . 1 1 45 45 MET HA H 45 4.117 4.117 3.961 0.156 19003 2439 1 7 . 1 1 45 45 MET C C 45 178.274 178.274 178.739 -0.465 19003 2440 1 7 . 1 1 45 45 MET CA C 45 58.421 58.421 59.353 -0.932 19003 2441 1 7 . 1 1 45 45 MET CB C 45 32.268 32.268 32.583 -0.315 19003 2442 1 7 . 1 1 45 45 MET H H 45 7.829 7.829 8.079 -0.250 19003 2443 1 7 . 1 1 46 46 LEU N N 46 123.359 123.359 118.622 4.737 19003 2444 1 7 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.691 0.151 19003 2445 1 7 . 1 1 46 46 LEU C C 46 176.531 176.531 178.938 -2.407 19003 2446 1 7 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.592 0.026 19003 2447 1 7 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.438 1.355 19003 2448 1 7 . 1 1 46 46 LEU H H 46 7.659 7.659 7.599 0.060 19003 2449 1 7 . 1 1 47 47 ARG N N 47 118.271 118.271 116.418 1.853 19003 2450 1 7 . 1 1 47 47 ARG HA H 47 2.751 2.751 4.039 -1.288 19003 2451 1 7 . 1 1 47 47 ARG C C 47 178.363 178.363 178.562 -0.199 19003 2452 1 7 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.447 -0.443 19003 2453 1 7 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.026 1.081 19003 2454 1 7 . 1 1 47 47 ARG H H 47 7.955 7.955 7.616 0.339 19003 2455 1 7 . 1 1 48 48 HIS N N 48 117.915 117.915 120.585 -2.670 19003 2456 1 7 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.075 0.150 19003 2457 1 7 . 1 1 48 48 HIS C C 48 177.097 177.097 177.512 -0.415 19003 2458 1 7 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.290 0.021 19003 2459 1 7 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.960 0.618 19003 2460 1 7 . 1 1 48 48 HIS H H 48 7.609 7.609 8.292 -0.683 19003 2461 1 7 . 1 1 49 49 ARG N N 49 116.831 116.831 117.970 -1.139 19003 2462 1 7 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.896 0.082 19003 2463 1 7 . 1 1 49 49 ARG C C 49 179.242 179.242 178.804 0.438 19003 2464 1 7 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.565 -0.506 19003 2465 1 7 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.942 -1.252 19003 2466 1 7 . 1 1 49 49 ARG H H 49 7.980 7.980 8.606 -0.626 19003 2467 1 7 . 1 1 50 50 ALA N N 50 122.916 122.916 122.461 0.455 19003 2468 1 7 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.111 -0.131 19003 2469 1 7 . 1 1 50 50 ALA C C 50 181.207 181.207 179.268 1.939 19003 2470 1 7 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.772 0.269 19003 2471 1 7 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.420 0.772 19003 2472 1 7 . 1 1 50 50 ALA H H 50 8.734 8.734 7.501 1.233 19003 2473 1 7 . 1 1 51 51 ALA N N 51 122.005 122.005 120.421 1.584 19003 2474 1 7 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.136 -0.023 19003 2475 1 7 . 1 1 51 51 ALA C C 51 179.033 179.033 179.294 -0.261 19003 2476 1 7 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.352 0.230 19003 2477 1 7 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.949 -0.930 19003 2478 1 7 . 1 1 51 51 ALA H H 51 7.861 7.861 8.056 -0.195 19003 2479 1 7 . 1 1 52 52 LEU N N 52 117.205 117.205 117.110 0.095 19003 2480 1 7 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.376 -0.118 19003 2481 1 7 . 1 1 52 52 LEU C C 52 177.842 177.842 178.213 -0.371 19003 2482 1 7 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.207 -1.584 19003 2483 1 7 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.710 -1.101 19003 2484 1 7 . 1 1 52 52 LEU H H 52 7.277 7.277 8.492 -1.215 19003 2485 1 7 . 1 1 53 53 GLY N N 53 105.824 105.824 103.357 2.467 19003 2486 1 7 . 1 1 53 53 GLY C C 53 174.745 174.745 173.018 1.727 19003 2487 1 7 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.056 0.466 19003 2488 1 7 . 1 1 53 53 GLY H H 53 7.616 7.616 7.774 -0.158 19003 2489 1 7 . 1 1 54 54 ALA N N 54 122.086 122.086 123.572 -1.486 19003 2490 1 7 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.748 -0.521 19003 2491 1 7 . 1 1 54 54 ALA C C 54 178.035 178.035 175.569 2.466 19003 2492 1 7 . 1 1 54 54 ALA CA C 54 53.440 53.440 50.917 2.523 19003 2493 1 7 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.343 -1.618 19003 2494 1 7 . 1 1 54 54 ALA H H 54 7.637 7.637 7.944 -0.307 19003 2495 1 7 . 1 1 55 55 ASP N N 55 118.303 118.303 120.443 -2.140 19003 2496 1 7 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.653 0.093 19003 2497 1 7 . 1 1 55 55 ASP C C 55 176.129 176.129 174.652 1.477 19003 2498 1 7 . 1 1 55 55 ASP CA C 55 52.995 52.995 52.783 0.212 19003 2499 1 7 . 1 1 55 55 ASP CB C 55 41.342 41.342 41.604 -0.262 19003 2500 1 7 . 1 1 55 55 ASP H H 55 8.540 8.540 8.388 0.152 19003 2501 1 7 . 1 1 56 56 ASP N N 56 116.381 116.381 121.341 -4.960 19003 2502 1 7 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.483 0.130 19003 2503 1 7 . 1 1 56 56 ASP C C 56 175.638 175.638 177.830 -2.192 19003 2504 1 7 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.720 -1.191 19003 2505 1 7 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.011 0.042 19003 2506 1 7 . 1 1 56 56 ASP H H 56 7.469 7.469 8.061 -0.592 19003 2507 1 7 . 1 1 57 57 ASN N N 57 118.913 118.913 124.944 -6.031 19003 2508 1 7 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.348 -0.017 19003 2509 1 7 . 1 1 57 57 ASN C C 57 176.963 176.963 176.767 0.196 19003 2510 1 7 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.201 1.153 19003 2511 1 7 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.032 1.264 19003 2512 1 7 . 1 1 57 57 ASN H H 57 9.033 9.033 8.834 0.199 19003 2513 1 7 . 1 1 58 58 ASP N N 58 117.610 117.610 121.762 -4.152 19003 2514 1 7 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.442 0.043 19003 2515 1 7 . 1 1 58 58 ASP C C 58 178.944 178.944 178.011 0.933 19003 2516 1 7 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.547 0.074 19003 2517 1 7 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.572 -0.565 19003 2518 1 7 . 1 1 58 58 ASP H H 58 8.519 8.519 8.168 0.351 19003 2519 1 7 . 1 1 59 59 ALA N N 59 126.800 126.800 121.986 4.814 19003 2520 1 7 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.059 -0.081 19003 2521 1 7 . 1 1 59 59 ALA C C 59 178.974 178.974 179.456 -0.482 19003 2522 1 7 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.293 0.459 19003 2523 1 7 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.626 0.477 19003 2524 1 7 . 1 1 59 59 ALA H H 59 8.067 8.067 7.727 0.340 19003 2525 1 7 . 1 1 60 60 VAL N N 60 119.673 119.673 116.680 2.993 19003 2526 1 7 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.794 -0.205 19003 2527 1 7 . 1 1 60 60 VAL C C 60 179.934 179.934 177.497 2.437 19003 2528 1 7 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.835 0.910 19003 2529 1 7 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.272 0.849 19003 2530 1 7 . 1 1 61 61 LYS N N 61 119.673 119.673 121.549 -1.876 19003 2531 1 7 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.100 0.102 19003 2532 1 7 . 1 1 61 61 LYS C C 61 180.135 180.135 178.978 1.157 19003 2533 1 7 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.433 0.004 19003 2534 1 7 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.130 0.227 19003 2535 1 7 . 1 1 61 61 LYS H H 61 8.383 8.383 8.404 -0.021 19003 2536 1 7 . 1 1 62 62 PHE N N 62 122.324 122.324 122.437 -0.113 19003 2537 1 7 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.287 0.047 19003 2538 1 7 . 1 1 62 62 PHE C C 62 177.038 177.038 176.937 0.101 19003 2539 1 7 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.477 1.214 19003 2540 1 7 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.348 -0.141 19003 2541 1 7 . 1 1 62 62 PHE H H 62 8.510 8.510 8.647 -0.137 19003 2542 1 7 . 1 1 63 63 ARG N N 63 119.741 119.741 120.729 -0.988 19003 2543 1 7 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.859 0.215 19003 2544 1 7 . 1 1 63 63 ARG C C 63 178.586 178.586 178.555 0.031 19003 2545 1 7 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.239 1.940 19003 2546 1 7 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.440 1.316 19003 2547 1 7 . 1 1 63 63 ARG H H 63 8.724 8.724 8.672 0.052 19003 2548 1 7 . 1 1 64 64 SER N N 64 113.962 113.962 115.548 -1.586 19003 2549 1 7 . 1 1 64 64 SER HA H 64 4.324 4.324 4.187 0.137 19003 2550 1 7 . 1 1 64 64 SER C C 64 177.297 177.297 176.423 0.874 19003 2551 1 7 . 1 1 64 64 SER CA C 64 61.550 61.550 62.584 -1.034 19003 2552 1 7 . 1 1 64 64 SER CB C 64 62.316 62.316 62.856 -0.540 19003 2553 1 7 . 1 1 64 64 SER H H 64 8.224 8.224 8.524 -0.300 19003 2554 1 7 . 1 1 65 65 TRP N N 65 123.490 123.490 123.092 0.398 19003 2555 1 7 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.456 -0.303 19003 2556 1 7 . 1 1 65 65 TRP C C 65 178.318 178.318 178.559 -0.241 19003 2557 1 7 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.705 1.007 19003 2558 1 7 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.320 -2.033 19003 2559 1 7 . 1 1 65 65 TRP H H 65 8.054 8.054 8.016 0.038 19003 2560 1 7 . 1 1 66 66 TRP N N 66 122.351 122.351 120.449 1.902 19003 2561 1 7 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.019 0.069 19003 2562 1 7 . 1 1 66 66 TRP C C 66 178.959 178.959 176.709 2.250 19003 2563 1 7 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.888 1.365 19003 2564 1 7 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.213 0.297 19003 2565 1 7 . 1 1 66 66 TRP H H 66 9.333 9.333 8.782 0.551 19003 2566 1 7 . 1 1 67 67 ASN N N 67 115.529 115.529 115.748 -0.219 19003 2567 1 7 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.544 -0.168 19003 2568 1 7 . 1 1 67 67 ASN C C 67 176.591 176.591 175.546 1.045 19003 2569 1 7 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.136 0.172 19003 2570 1 7 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.609 -0.114 19003 2571 1 7 . 1 1 67 67 ASN H H 67 8.586 8.586 8.301 0.285 19003 2572 1 7 . 1 1 68 68 SER N N 68 114.677 114.677 113.897 0.780 19003 2573 1 7 . 1 1 68 68 SER HA H 68 4.332 4.332 4.414 -0.082 19003 2574 1 7 . 1 1 68 68 SER C C 68 174.581 174.581 174.262 0.319 19003 2575 1 7 . 1 1 68 68 SER CA C 68 59.578 59.578 59.903 -0.325 19003 2576 1 7 . 1 1 68 68 SER CB C 68 63.670 63.670 63.778 -0.108 19003 2577 1 7 . 1 1 68 68 SER H H 68 7.600 7.600 7.609 -0.009 19003 2578 1 7 . 1 1 69 69 ARG N N 69 121.618 121.618 118.979 2.639 19003 2579 1 7 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.387 -0.508 19003 2580 1 7 . 1 1 69 69 ARG C C 69 176.963 176.963 177.054 -0.091 19003 2581 1 7 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.364 -0.277 19003 2582 1 7 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.527 -0.573 19003 2583 1 7 . 1 1 69 69 ARG H H 69 6.992 6.992 7.184 -0.192 19003 2584 1 7 . 1 1 70 70 THR N N 70 114.140 114.140 114.617 -0.477 19003 2585 1 7 . 1 1 70 70 THR HA H 70 4.030 4.030 3.989 0.041 19003 2586 1 7 . 1 1 70 70 THR C C 70 174.506 174.506 173.571 0.935 19003 2587 1 7 . 1 1 70 70 THR CA C 70 62.513 62.513 61.929 0.584 19003 2588 1 7 . 1 1 70 70 THR CB C 70 69.378 69.378 69.020 0.358 19003 2589 1 7 . 1 1 71 71 LYS N N 71 123.490 123.490 119.220 4.270 19003 2590 1 7 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.822 0.365 19003 2591 1 7 . 1 1 71 71 LYS C C 71 176.531 176.531 175.456 1.075 19003 2592 1 7 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.394 -0.108 19003 2593 1 7 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.809 1.815 19003 2594 1 7 . 1 1 71 71 LYS H H 71 8.051 8.051 7.629 0.422 19003 2595 1 7 . 1 1 72 72 MET N N 72 121.388 121.388 115.032 6.356 19003 2596 1 7 . 1 1 72 72 MET HA H 72 4.376 4.376 4.498 -0.122 19003 2597 1 7 . 1 1 72 72 MET C C 72 176.115 176.115 177.527 -1.412 19003 2598 1 7 . 1 1 72 72 MET CA C 72 55.397 55.397 57.110 -1.713 19003 2599 1 7 . 1 1 72 72 MET CB C 72 32.446 32.446 33.272 -0.826 19003 2600 1 7 . 1 1 72 72 MET H H 72 8.305 8.305 7.842 0.463 19003 2601 1 7 . 1 1 73 73 ALA N N 73 124.890 124.890 122.991 1.899 19003 2602 1 7 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.856 -0.627 19003 2603 1 7 . 1 1 73 73 ALA C C 73 177.499 177.499 176.840 0.659 19003 2604 1 7 . 1 1 73 73 ALA CA C 73 52.639 52.639 50.587 2.052 19003 2605 1 7 . 1 1 73 73 ALA CB C 73 19.103 19.103 18.519 0.584 19003 2606 1 7 . 1 1 73 73 ALA H H 73 8.272 8.272 8.796 -0.524 19003 2607 1 7 . 1 1 74 74 ASN N N 74 117.940 117.940 123.704 -5.764 19003 2608 1 7 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.570 0.060 19003 2609 1 7 . 1 1 74 74 ASN C C 74 174.893 174.893 174.443 0.450 19003 2610 1 7 . 1 1 74 74 ASN CA C 74 53.084 53.084 54.482 -1.398 19003 2611 1 7 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.233 1.885 19003 2612 1 7 . 1 1 74 74 ASN H H 74 8.408 8.408 8.304 0.104 19003 2613 1 7 . 1 1 75 75 ASP N N 75 120.439 120.439 112.386 8.053 19003 2614 1 7 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.199 0.343 19003 2615 1 7 . 1 1 75 75 ASP C C 75 175.861 175.861 175.202 0.659 19003 2616 1 7 . 1 1 75 75 ASP CA C 75 54.240 54.240 55.582 -1.342 19003 2617 1 7 . 1 1 75 75 ASP CB C 75 41.075 41.075 39.250 1.825 19003 2618 1 7 . 1 1 75 75 ASP H H 75 8.298 8.298 8.416 -0.118 19003 2619 1 8 . 1 1 11 11 THR N N 11 114.405 114.405 116.404 -1.999 19003 2620 1 8 . 1 1 11 11 THR HA H 11 4.246 4.246 4.119 0.127 19003 2621 1 8 . 1 1 11 11 THR C C 11 174.586 174.586 173.045 1.541 19003 2622 1 8 . 1 1 11 11 THR CA C 11 62.246 62.246 60.293 1.953 19003 2623 1 8 . 1 1 11 11 THR CB C 11 69.310 69.310 70.940 -1.630 19003 2624 1 8 . 1 1 12 12 TYR N N 12 123.008 123.008 118.195 4.813 19003 2625 1 8 . 1 1 12 12 TYR HA H 12 4.395 4.395 5.002 -0.607 19003 2626 1 8 . 1 1 12 12 TYR C C 12 176.070 176.070 174.075 1.995 19003 2627 1 8 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.472 2.038 19003 2628 1 8 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.520 -1.936 19003 2629 1 8 . 1 1 12 12 TYR H H 12 8.274 8.274 7.925 0.349 19003 2630 1 8 . 1 1 13 13 ARG N N 13 123.852 123.852 117.666 6.186 19003 2631 1 8 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.369 -0.119 19003 2632 1 8 . 1 1 13 13 ARG C C 13 176.829 176.829 176.385 0.444 19003 2633 1 8 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.222 1.153 19003 2634 1 8 . 1 1 13 13 ARG CB C 13 30.489 30.489 33.445 -2.956 19003 2635 1 8 . 1 1 13 13 ARG H H 13 8.371 8.371 8.489 -0.118 19003 2636 1 8 . 1 1 14 14 GLY N N 14 108.394 108.394 108.847 -0.453 19003 2637 1 8 . 1 1 14 14 GLY C C 14 173.911 173.911 175.374 -1.463 19003 2638 1 8 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.113 -0.946 19003 2639 1 8 . 1 1 14 14 GLY H H 14 7.646 7.646 8.758 -1.112 19003 2640 1 8 . 1 1 15 15 ARG N N 15 121.238 121.238 126.193 -4.955 19003 2641 1 8 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.129 0.137 19003 2642 1 8 . 1 1 15 15 ARG C C 15 177.053 177.053 177.203 -0.150 19003 2643 1 8 . 1 1 15 15 ARG CA C 15 56.286 56.286 55.420 0.866 19003 2644 1 8 . 1 1 15 15 ARG CB C 15 30.578 30.578 29.040 1.538 19003 2645 1 8 . 1 1 15 15 ARG H H 15 8.568 8.568 8.154 0.414 19003 2646 1 8 . 1 1 16 16 GLY N N 16 110.085 110.085 109.018 1.067 19003 2647 1 8 . 1 1 16 16 GLY C C 16 173.911 173.911 173.932 -0.021 19003 2648 1 8 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.709 -0.186 19003 2649 1 8 . 1 1 16 16 GLY H H 16 8.525 8.525 8.543 -0.018 19003 2650 1 8 . 1 1 17 17 VAL N N 17 119.300 119.300 115.741 3.559 19003 2651 1 8 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.835 0.214 19003 2652 1 8 . 1 1 17 17 VAL C C 17 175.147 175.147 176.109 -0.962 19003 2653 1 8 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.689 -0.799 19003 2654 1 8 . 1 1 17 17 VAL CB C 17 32.713 32.713 31.006 1.708 19003 2655 1 8 . 1 1 18 18 ALA N N 18 128.131 128.131 128.513 -0.382 19003 2656 1 8 . 1 1 18 18 ALA HA H 18 4.334 4.334 3.868 0.466 19003 2657 1 8 . 1 1 18 18 ALA C C 18 177.082 177.082 177.106 -0.024 19003 2658 1 8 . 1 1 18 18 ALA CA C 18 52.016 52.016 52.569 -0.553 19003 2659 1 8 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.042 -0.028 19003 2660 1 8 . 1 1 18 18 ALA H H 18 8.367 8.367 8.471 -0.104 19003 2661 1 8 . 1 1 19 19 LEU N N 19 122.503 122.503 116.681 5.822 19003 2662 1 8 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.007 0.631 19003 2663 1 8 . 1 1 19 19 LEU C C 19 177.058 177.058 175.856 1.202 19003 2664 1 8 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.648 -1.052 19003 2665 1 8 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.816 2.016 19003 2666 1 8 . 1 1 19 19 LEU H H 19 8.160 8.160 7.515 0.645 19003 2667 1 8 . 1 1 20 20 THR N N 20 115.199 115.199 113.632 1.567 19003 2668 1 8 . 1 1 20 20 THR HA H 20 4.524 4.524 4.404 0.120 19003 2669 1 8 . 1 1 20 20 THR C C 20 177.950 177.950 175.478 2.472 19003 2670 1 8 . 1 1 20 20 THR CA C 20 61.001 61.001 61.118 -0.117 19003 2671 1 8 . 1 1 20 20 THR CB C 20 70.697 70.697 70.818 -0.121 19003 2672 1 8 . 1 1 21 21 ASP N N 21 121.413 121.413 121.852 -0.439 19003 2673 1 8 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.460 0.056 19003 2674 1 8 . 1 1 21 21 ASP C C 21 178.378 178.378 177.828 0.550 19003 2675 1 8 . 1 1 21 21 ASP CA C 21 57.798 57.798 59.050 -1.252 19003 2676 1 8 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.063 -1.145 19003 2677 1 8 . 1 1 21 21 ASP H H 21 8.962 8.962 8.914 0.048 19003 2678 1 8 . 1 1 22 22 ASP N N 22 117.981 117.981 119.849 -1.868 19003 2679 1 8 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.481 0.075 19003 2680 1 8 . 1 1 22 22 ASP C C 22 178.869 178.869 178.496 0.373 19003 2681 1 8 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.961 -0.252 19003 2682 1 8 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.611 -0.337 19003 2683 1 8 . 1 1 22 22 ASP H H 22 8.467 8.467 8.557 -0.090 19003 2684 1 8 . 1 1 23 23 GLU N N 23 120.900 120.900 119.886 1.014 19003 2685 1 8 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.392 -0.214 19003 2686 1 8 . 1 1 23 23 GLU C C 23 178.452 178.452 178.665 -0.213 19003 2687 1 8 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.511 0.156 19003 2688 1 8 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.293 1.395 19003 2689 1 8 . 1 1 23 23 GLU H H 23 7.933 7.933 8.883 -0.950 19003 2690 1 8 . 1 1 24 24 TYR N N 24 119.764 119.764 119.423 0.341 19003 2691 1 8 . 1 1 24 24 TYR HA H 24 4.323 4.323 4.026 0.297 19003 2692 1 8 . 1 1 24 24 TYR C C 24 177.589 177.589 177.695 -0.106 19003 2693 1 8 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.689 0.809 19003 2694 1 8 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.681 -0.202 19003 2695 1 8 . 1 1 24 24 TYR H H 24 8.539 8.539 7.728 0.811 19003 2696 1 8 . 1 1 25 25 ASP N N 25 119.296 119.296 118.466 0.830 19003 2697 1 8 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.397 0.079 19003 2698 1 8 . 1 1 25 25 ASP C C 25 179.078 179.078 178.937 0.141 19003 2699 1 8 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.542 -0.010 19003 2700 1 8 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.879 -0.698 19003 2701 1 8 . 1 1 25 25 ASP H H 25 8.369 8.369 7.853 0.516 19003 2702 1 8 . 1 1 26 26 GLU N N 26 121.770 121.770 119.245 2.525 19003 2703 1 8 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.306 -0.101 19003 2704 1 8 . 1 1 26 26 GLU C C 26 177.514 177.514 178.714 -1.200 19003 2705 1 8 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.793 0.607 19003 2706 1 8 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.541 1.236 19003 2707 1 8 . 1 1 26 26 GLU H H 26 8.356 8.356 8.558 -0.202 19003 2708 1 8 . 1 1 27 27 TRP N N 27 122.248 122.248 121.890 0.358 19003 2709 1 8 . 1 1 27 27 TRP HA H 27 4.178 4.178 3.858 0.320 19003 2710 1 8 . 1 1 27 27 TRP C C 27 177.873 177.873 177.252 0.621 19003 2711 1 8 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.872 -0.987 19003 2712 1 8 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.180 2.398 19003 2713 1 8 . 1 1 27 27 TRP H H 27 8.314 8.314 8.184 0.130 19003 2714 1 8 . 1 1 28 28 ARG N N 28 117.274 117.274 117.014 0.260 19003 2715 1 8 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.074 -0.004 19003 2716 1 8 . 1 1 28 28 ARG C C 28 179.775 179.775 178.388 1.387 19003 2717 1 8 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.397 -0.976 19003 2718 1 8 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.379 0.355 19003 2719 1 8 . 1 1 28 28 ARG H H 28 7.974 7.974 7.245 0.729 19003 2720 1 8 . 1 1 29 29 GLU N N 29 121.770 121.770 120.075 1.695 19003 2721 1 8 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.110 -0.061 19003 2722 1 8 . 1 1 29 29 GLU C C 29 178.720 178.720 178.190 0.530 19003 2723 1 8 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.133 -0.178 19003 2724 1 8 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.811 -0.300 19003 2725 1 8 . 1 1 29 29 GLU H H 29 8.591 8.591 7.640 0.951 19003 2726 1 8 . 1 1 30 30 HIS N N 30 121.863 121.863 120.289 1.574 19003 2727 1 8 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.470 -1.335 19003 2728 1 8 . 1 1 30 30 HIS C C 30 176.308 176.308 177.577 -1.269 19003 2729 1 8 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.327 0.926 19003 2730 1 8 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.218 -2.349 19003 2731 1 8 . 1 1 30 30 HIS H H 30 8.723 8.723 8.482 0.240 19003 2732 1 8 . 1 1 31 31 ASN N N 31 117.257 117.257 117.699 -0.442 19003 2733 1 8 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.100 -0.044 19003 2734 1 8 . 1 1 31 31 ASN C C 31 178.035 178.035 177.209 0.826 19003 2735 1 8 . 1 1 31 31 ASN CA C 31 55.179 55.179 55.938 -0.759 19003 2736 1 8 . 1 1 31 31 ASN CB C 31 36.823 36.823 37.997 -1.174 19003 2737 1 8 . 1 1 31 31 ASN H H 31 7.405 7.405 8.127 -0.722 19003 2738 1 8 . 1 1 32 32 ALA N N 32 120.650 120.650 121.845 -1.195 19003 2739 1 8 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.931 0.134 19003 2740 1 8 . 1 1 32 32 ALA C C 32 180.463 180.463 180.278 0.185 19003 2741 1 8 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.944 -0.259 19003 2742 1 8 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.388 -0.175 19003 2743 1 8 . 1 1 32 32 ALA H H 32 7.905 7.905 7.350 0.555 19003 2744 1 8 . 1 1 33 33 SER N N 33 112.890 112.890 114.184 -1.294 19003 2745 1 8 . 1 1 33 33 SER HA H 33 4.205 4.205 4.315 -0.110 19003 2746 1 8 . 1 1 33 33 SER CA C 33 61.074 61.074 61.437 -0.363 19003 2747 1 8 . 1 1 33 33 SER CB C 33 63.834 63.834 63.711 0.123 19003 2748 1 8 . 1 1 33 33 SER H H 33 8.569 8.569 8.631 -0.062 19003 2749 1 8 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.203 -0.042 19003 2750 1 8 . 1 1 34 34 ARG C C 34 174.641 174.641 175.564 -0.923 19003 2751 1 8 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.599 1.420 19003 2752 1 8 . 1 1 35 35 LYS N N 35 117.509 117.509 115.487 2.022 19003 2753 1 8 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.876 0.012 19003 2754 1 8 . 1 1 35 35 LYS C C 35 175.501 175.501 176.229 -0.728 19003 2755 1 8 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.222 -0.135 19003 2756 1 8 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.780 -1.070 19003 2757 1 8 . 1 1 35 35 LYS H H 35 7.492 7.492 7.582 -0.090 19003 2758 1 8 . 1 1 36 36 LEU N N 36 118.727 118.727 116.194 2.533 19003 2759 1 8 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.424 0.171 19003 2760 1 8 . 1 1 36 36 LEU C C 36 175.281 175.281 176.664 -1.383 19003 2761 1 8 . 1 1 36 36 LEU CA C 36 52.791 52.791 53.776 -0.986 19003 2762 1 8 . 1 1 36 36 LEU CB C 36 46.374 46.374 42.656 3.718 19003 2763 1 8 . 1 1 36 36 LEU H H 36 8.165 8.165 7.263 0.902 19003 2764 1 8 . 1 1 37 37 ASP N N 37 121.035 121.035 118.390 2.645 19003 2765 1 8 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.876 -0.136 19003 2766 1 8 . 1 1 37 37 ASP C C 37 175.921 175.921 175.086 0.835 19003 2767 1 8 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.588 -0.797 19003 2768 1 8 . 1 1 37 37 ASP CB C 37 41.300 41.300 40.467 0.833 19003 2769 1 8 . 1 1 37 37 ASP H H 37 8.403 8.403 8.197 0.206 19003 2770 1 8 . 1 1 38 38 LEU N N 38 119.070 119.070 117.666 1.404 19003 2771 1 8 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.702 -0.041 19003 2772 1 8 . 1 1 38 38 LEU C C 38 180.209 180.209 176.055 4.154 19003 2773 1 8 . 1 1 38 38 LEU CA C 38 55.308 55.308 54.523 0.785 19003 2774 1 8 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.136 0.074 19003 2775 1 8 . 1 1 38 38 LEU H H 38 7.515 7.515 7.643 -0.128 19003 2776 1 8 . 1 1 39 39 SER N N 39 122.093 122.093 115.693 6.400 19003 2777 1 8 . 1 1 39 39 SER HA H 39 4.663 4.663 4.919 -0.256 19003 2778 1 8 . 1 1 39 39 SER C C 39 174.730 174.730 175.500 -0.770 19003 2779 1 8 . 1 1 39 39 SER CA C 39 57.343 57.343 57.482 -0.139 19003 2780 1 8 . 1 1 39 39 SER CB C 39 64.879 64.879 65.301 -0.422 19003 2781 1 8 . 1 1 39 39 SER H H 39 9.706 9.706 8.537 1.169 19003 2782 1 8 . 1 1 40 40 VAL N N 40 122.917 122.917 124.341 -1.424 19003 2783 1 8 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.167 0.501 19003 2784 1 8 . 1 1 40 40 VAL C C 40 177.187 177.187 177.078 0.109 19003 2785 1 8 . 1 1 40 40 VAL CA C 40 66.372 66.372 66.299 0.073 19003 2786 1 8 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.028 -0.175 19003 2787 1 8 . 1 1 41 41 GLU N N 41 118.661 118.661 118.851 -0.190 19003 2788 1 8 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.750 0.065 19003 2789 1 8 . 1 1 41 41 GLU C C 41 179.108 179.108 178.684 0.424 19003 2790 1 8 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.104 0.630 19003 2791 1 8 . 1 1 41 41 GLU CB C 41 28.888 28.888 29.070 -0.182 19003 2792 1 8 . 1 1 41 41 GLU H H 41 8.725 8.725 8.615 0.110 19003 2793 1 8 . 1 1 42 42 ASP N N 42 120.291 120.291 119.294 0.997 19003 2794 1 8 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.331 0.093 19003 2795 1 8 . 1 1 42 42 ASP C C 42 179.703 179.703 178.267 1.436 19003 2796 1 8 . 1 1 42 42 ASP CA C 42 57.443 57.443 58.079 -0.636 19003 2797 1 8 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.501 -0.493 19003 2798 1 8 . 1 1 42 42 ASP H H 42 7.979 7.979 7.822 0.157 19003 2799 1 8 . 1 1 43 43 PHE N N 43 123.091 123.091 120.860 2.231 19003 2800 1 8 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.100 -0.090 19003 2801 1 8 . 1 1 43 43 PHE C C 43 175.459 175.459 176.297 -0.838 19003 2802 1 8 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.984 0.164 19003 2803 1 8 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.151 0.582 19003 2804 1 8 . 1 1 43 43 PHE H H 43 8.656 8.656 7.240 1.416 19003 2805 1 8 . 1 1 44 44 LEU N N 44 119.965 119.965 118.794 1.171 19003 2806 1 8 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.650 -0.220 19003 2807 1 8 . 1 1 44 44 LEU C C 44 180.537 180.537 179.033 1.504 19003 2808 1 8 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.745 -0.029 19003 2809 1 8 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.966 0.259 19003 2810 1 8 . 1 1 44 44 LEU H H 44 8.702 8.702 8.491 0.211 19003 2811 1 8 . 1 1 45 45 MET N N 45 118.100 118.100 118.383 -0.283 19003 2812 1 8 . 1 1 45 45 MET HA H 45 4.117 4.117 3.924 0.193 19003 2813 1 8 . 1 1 45 45 MET C C 45 178.274 178.274 178.692 -0.418 19003 2814 1 8 . 1 1 45 45 MET CA C 45 58.421 58.421 59.291 -0.869 19003 2815 1 8 . 1 1 45 45 MET CB C 45 32.268 32.268 32.623 -0.355 19003 2816 1 8 . 1 1 45 45 MET H H 45 7.829 7.829 7.967 -0.138 19003 2817 1 8 . 1 1 46 46 LEU N N 46 123.359 123.359 119.026 4.333 19003 2818 1 8 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.681 0.161 19003 2819 1 8 . 1 1 46 46 LEU C C 46 176.531 176.531 178.829 -2.298 19003 2820 1 8 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.652 -0.034 19003 2821 1 8 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.442 1.351 19003 2822 1 8 . 1 1 46 46 LEU H H 46 7.659 7.659 7.857 -0.198 19003 2823 1 8 . 1 1 47 47 ARG N N 47 118.271 118.271 116.203 2.068 19003 2824 1 8 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.760 -1.009 19003 2825 1 8 . 1 1 47 47 ARG C C 47 178.363 178.363 178.169 0.194 19003 2826 1 8 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.707 -0.703 19003 2827 1 8 . 1 1 47 47 ARG CB C 47 30.107 30.107 28.811 1.296 19003 2828 1 8 . 1 1 47 47 ARG H H 47 7.955 7.955 7.617 0.338 19003 2829 1 8 . 1 1 48 48 HIS N N 48 117.915 117.915 119.905 -1.990 19003 2830 1 8 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.027 0.198 19003 2831 1 8 . 1 1 48 48 HIS C C 48 177.097 177.097 177.393 -0.296 19003 2832 1 8 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.317 -0.006 19003 2833 1 8 . 1 1 48 48 HIS CB C 48 30.578 30.578 30.001 0.577 19003 2834 1 8 . 1 1 48 48 HIS H H 48 7.609 7.609 7.932 -0.323 19003 2835 1 8 . 1 1 49 49 ARG N N 49 116.831 116.831 118.413 -1.582 19003 2836 1 8 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.926 0.052 19003 2837 1 8 . 1 1 49 49 ARG C C 49 179.242 179.242 178.817 0.425 19003 2838 1 8 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.169 -0.110 19003 2839 1 8 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.076 -1.385 19003 2840 1 8 . 1 1 49 49 ARG H H 49 7.980 7.980 8.445 -0.465 19003 2841 1 8 . 1 1 50 50 ALA N N 50 122.916 122.916 121.295 1.621 19003 2842 1 8 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.149 -0.169 19003 2843 1 8 . 1 1 50 50 ALA C C 50 181.207 181.207 179.088 2.119 19003 2844 1 8 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.792 0.249 19003 2845 1 8 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.584 0.608 19003 2846 1 8 . 1 1 50 50 ALA H H 50 8.734 8.734 7.844 0.890 19003 2847 1 8 . 1 1 51 51 ALA N N 51 122.005 122.005 120.088 1.917 19003 2848 1 8 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.309 -0.196 19003 2849 1 8 . 1 1 51 51 ALA C C 51 179.033 179.033 179.097 -0.064 19003 2850 1 8 . 1 1 51 51 ALA CA C 51 54.582 54.582 53.855 0.727 19003 2851 1 8 . 1 1 51 51 ALA CB C 51 18.019 18.019 19.093 -1.074 19003 2852 1 8 . 1 1 51 51 ALA H H 51 7.861 7.861 7.695 0.166 19003 2853 1 8 . 1 1 52 52 LEU N N 52 117.205 117.205 118.138 -0.933 19003 2854 1 8 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.149 0.109 19003 2855 1 8 . 1 1 52 52 LEU C C 52 177.842 177.842 178.391 -0.549 19003 2856 1 8 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.728 -2.105 19003 2857 1 8 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.296 -0.687 19003 2858 1 8 . 1 1 52 52 LEU H H 52 7.277 7.277 8.397 -1.120 19003 2859 1 8 . 1 1 53 53 GLY N N 53 105.824 105.824 101.862 3.962 19003 2860 1 8 . 1 1 53 53 GLY C C 53 174.745 174.745 173.485 1.260 19003 2861 1 8 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.025 0.498 19003 2862 1 8 . 1 1 53 53 GLY H H 53 7.616 7.616 7.762 -0.146 19003 2863 1 8 . 1 1 54 54 ALA N N 54 122.086 122.086 124.054 -1.968 19003 2864 1 8 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.467 -0.240 19003 2865 1 8 . 1 1 54 54 ALA C C 54 178.035 178.035 176.436 1.599 19003 2866 1 8 . 1 1 54 54 ALA CA C 54 53.440 53.440 52.009 1.431 19003 2867 1 8 . 1 1 54 54 ALA CB C 54 19.725 19.725 19.764 -0.039 19003 2868 1 8 . 1 1 54 54 ALA H H 54 7.637 7.637 7.503 0.134 19003 2869 1 8 . 1 1 55 55 ASP N N 55 118.303 118.303 120.169 -1.866 19003 2870 1 8 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.524 0.222 19003 2871 1 8 . 1 1 55 55 ASP C C 55 176.129 176.129 175.022 1.107 19003 2872 1 8 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.087 -0.092 19003 2873 1 8 . 1 1 55 55 ASP CB C 55 41.342 41.342 41.136 0.205 19003 2874 1 8 . 1 1 55 55 ASP H H 55 8.540 8.540 8.362 0.178 19003 2875 1 8 . 1 1 56 56 ASP N N 56 116.381 116.381 120.511 -4.130 19003 2876 1 8 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.541 0.072 19003 2877 1 8 . 1 1 56 56 ASP C C 56 175.638 175.638 177.338 -1.700 19003 2878 1 8 . 1 1 56 56 ASP CA C 56 53.529 53.529 53.843 -0.314 19003 2879 1 8 . 1 1 56 56 ASP CB C 56 42.053 42.053 41.681 0.372 19003 2880 1 8 . 1 1 56 56 ASP H H 56 7.469 7.469 7.683 -0.214 19003 2881 1 8 . 1 1 57 57 ASN N N 57 118.913 118.913 125.378 -6.465 19003 2882 1 8 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.306 0.025 19003 2883 1 8 . 1 1 57 57 ASN C C 57 176.963 176.963 176.476 0.487 19003 2884 1 8 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.434 0.920 19003 2885 1 8 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.023 1.273 19003 2886 1 8 . 1 1 57 57 ASN H H 57 9.033 9.033 8.896 0.137 19003 2887 1 8 . 1 1 58 58 ASP N N 58 117.610 117.610 120.027 -2.417 19003 2888 1 8 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.394 0.091 19003 2889 1 8 . 1 1 58 58 ASP C C 58 178.944 178.944 178.066 0.878 19003 2890 1 8 . 1 1 58 58 ASP CA C 58 57.621 57.621 56.774 0.847 19003 2891 1 8 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.195 -0.188 19003 2892 1 8 . 1 1 58 58 ASP H H 58 8.519 8.519 7.994 0.525 19003 2893 1 8 . 1 1 59 59 ALA N N 59 126.800 126.800 122.437 4.363 19003 2894 1 8 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.144 -0.166 19003 2895 1 8 . 1 1 59 59 ALA C C 59 178.974 178.974 179.466 -0.492 19003 2896 1 8 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.045 0.707 19003 2897 1 8 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.837 0.266 19003 2898 1 8 . 1 1 59 59 ALA H H 59 8.067 8.067 8.269 -0.202 19003 2899 1 8 . 1 1 60 60 VAL N N 60 119.673 119.673 117.116 2.557 19003 2900 1 8 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.795 -0.206 19003 2901 1 8 . 1 1 60 60 VAL C C 60 179.934 179.934 177.470 2.464 19003 2902 1 8 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.820 0.924 19003 2903 1 8 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.262 0.859 19003 2904 1 8 . 1 1 61 61 LYS N N 61 119.673 119.673 121.275 -1.602 19003 2905 1 8 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.106 0.096 19003 2906 1 8 . 1 1 61 61 LYS C C 61 180.135 180.135 179.002 1.133 19003 2907 1 8 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.409 0.028 19003 2908 1 8 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.073 0.284 19003 2909 1 8 . 1 1 61 61 LYS H H 61 8.383 8.383 8.572 -0.189 19003 2910 1 8 . 1 1 62 62 PHE N N 62 122.324 122.324 122.396 -0.072 19003 2911 1 8 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.315 0.019 19003 2912 1 8 . 1 1 62 62 PHE C C 62 177.038 177.038 177.009 0.029 19003 2913 1 8 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.443 1.248 19003 2914 1 8 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.353 -0.146 19003 2915 1 8 . 1 1 62 62 PHE H H 62 8.510 8.510 7.935 0.575 19003 2916 1 8 . 1 1 63 63 ARG N N 63 119.741 119.741 120.454 -0.713 19003 2917 1 8 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.968 0.106 19003 2918 1 8 . 1 1 63 63 ARG C C 63 178.586 178.586 178.850 -0.264 19003 2919 1 8 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.208 1.971 19003 2920 1 8 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.599 1.157 19003 2921 1 8 . 1 1 63 63 ARG H H 63 8.724 8.724 8.821 -0.097 19003 2922 1 8 . 1 1 64 64 SER N N 64 113.962 113.962 114.534 -0.572 19003 2923 1 8 . 1 1 64 64 SER HA H 64 4.324 4.324 4.213 0.111 19003 2924 1 8 . 1 1 64 64 SER C C 64 177.297 177.297 176.245 1.052 19003 2925 1 8 . 1 1 64 64 SER CA C 64 61.550 61.550 61.519 0.031 19003 2926 1 8 . 1 1 64 64 SER CB C 64 62.316 62.316 63.001 -0.685 19003 2927 1 8 . 1 1 64 64 SER H H 64 8.224 8.224 8.177 0.047 19003 2928 1 8 . 1 1 65 65 TRP N N 65 123.490 123.490 122.513 0.977 19003 2929 1 8 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.518 -0.365 19003 2930 1 8 . 1 1 65 65 TRP C C 65 178.318 178.318 177.564 0.754 19003 2931 1 8 . 1 1 65 65 TRP CA C 65 61.712 61.712 59.916 1.796 19003 2932 1 8 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.589 -2.302 19003 2933 1 8 . 1 1 65 65 TRP H H 65 8.054 8.054 8.002 0.052 19003 2934 1 8 . 1 1 66 66 TRP N N 66 122.351 122.351 120.237 2.114 19003 2935 1 8 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.179 -0.091 19003 2936 1 8 . 1 1 66 66 TRP C C 66 178.959 178.959 177.230 1.729 19003 2937 1 8 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.747 1.506 19003 2938 1 8 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.637 -0.127 19003 2939 1 8 . 1 1 66 66 TRP H H 66 9.333 9.333 8.716 0.617 19003 2940 1 8 . 1 1 67 67 ASN N N 67 115.529 115.529 115.690 -0.161 19003 2941 1 8 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.334 0.042 19003 2942 1 8 . 1 1 67 67 ASN C C 67 176.591 176.591 175.546 1.045 19003 2943 1 8 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.658 -0.350 19003 2944 1 8 . 1 1 67 67 ASN CB C 67 38.495 38.495 37.705 0.790 19003 2945 1 8 . 1 1 67 67 ASN H H 67 8.586 8.586 7.962 0.624 19003 2946 1 8 . 1 1 68 68 SER N N 68 114.677 114.677 111.752 2.925 19003 2947 1 8 . 1 1 68 68 SER HA H 68 4.332 4.332 4.332 -0.000 19003 2948 1 8 . 1 1 68 68 SER C C 68 174.581 174.581 174.614 -0.033 19003 2949 1 8 . 1 1 68 68 SER CA C 68 59.578 59.578 59.236 0.342 19003 2950 1 8 . 1 1 68 68 SER CB C 68 63.670 63.670 63.557 0.113 19003 2951 1 8 . 1 1 68 68 SER H H 68 7.600 7.600 7.295 0.305 19003 2952 1 8 . 1 1 69 69 ARG N N 69 121.618 121.618 118.982 2.636 19003 2953 1 8 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.387 -0.508 19003 2954 1 8 . 1 1 69 69 ARG C C 69 176.963 176.963 177.552 -0.589 19003 2955 1 8 . 1 1 69 69 ARG CA C 69 57.087 57.087 56.787 0.300 19003 2956 1 8 . 1 1 69 69 ARG CB C 69 29.955 29.955 31.022 -1.067 19003 2957 1 8 . 1 1 69 69 ARG H H 69 6.992 6.992 7.888 -0.896 19003 2958 1 8 . 1 1 70 70 THR N N 70 114.140 114.140 113.423 0.717 19003 2959 1 8 . 1 1 70 70 THR HA H 70 4.030 4.030 4.007 0.023 19003 2960 1 8 . 1 1 70 70 THR C C 70 174.506 174.506 174.319 0.187 19003 2961 1 8 . 1 1 70 70 THR CA C 70 62.513 62.513 62.464 0.049 19003 2962 1 8 . 1 1 70 70 THR CB C 70 69.378 69.378 69.279 0.099 19003 2963 1 8 . 1 1 71 71 LYS N N 71 123.490 123.490 115.235 8.255 19003 2964 1 8 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.939 0.248 19003 2965 1 8 . 1 1 71 71 LYS C C 71 176.531 176.531 175.376 1.155 19003 2966 1 8 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.784 -0.498 19003 2967 1 8 . 1 1 71 71 LYS CB C 71 32.624 32.624 31.190 1.434 19003 2968 1 8 . 1 1 71 71 LYS H H 71 8.051 8.051 7.300 0.751 19003 2969 1 8 . 1 1 72 72 MET N N 72 121.388 121.388 112.635 8.753 19003 2970 1 8 . 1 1 72 72 MET HA H 72 4.376 4.376 4.454 -0.078 19003 2971 1 8 . 1 1 72 72 MET C C 72 176.115 176.115 175.535 0.580 19003 2972 1 8 . 1 1 72 72 MET CA C 72 55.397 55.397 57.402 -2.005 19003 2973 1 8 . 1 1 72 72 MET CB C 72 32.446 32.446 31.973 0.473 19003 2974 1 8 . 1 1 72 72 MET H H 72 8.305 8.305 7.272 1.033 19003 2975 1 8 . 1 1 73 73 ALA N N 73 124.890 124.890 120.648 4.242 19003 2976 1 8 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.629 -0.400 19003 2977 1 8 . 1 1 73 73 ALA C C 73 177.499 177.499 177.469 0.030 19003 2978 1 8 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.844 0.795 19003 2979 1 8 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.099 -0.996 19003 2980 1 8 . 1 1 73 73 ALA H H 73 8.272 8.272 8.741 -0.469 19003 2981 1 8 . 1 1 74 74 ASN N N 74 117.940 117.940 118.838 -0.898 19003 2982 1 8 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.355 0.275 19003 2983 1 8 . 1 1 74 74 ASN C C 74 174.893 174.893 174.542 0.351 19003 2984 1 8 . 1 1 74 74 ASN CA C 74 53.084 53.084 57.391 -4.307 19003 2985 1 8 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.989 1.129 19003 2986 1 8 . 1 1 74 74 ASN H H 74 8.408 8.408 8.592 -0.184 19003 2987 1 8 . 1 1 75 75 ASP N N 75 120.439 120.439 117.666 2.773 19003 2988 1 8 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.793 -0.251 19003 2989 1 8 . 1 1 75 75 ASP C C 75 175.861 175.861 175.503 0.358 19003 2990 1 8 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.474 0.766 19003 2991 1 8 . 1 1 75 75 ASP CB C 75 41.075 41.075 42.383 -1.308 19003 2992 1 8 . 1 1 75 75 ASP H H 75 8.298 8.298 8.379 -0.081 19003 2993 1 9 . 1 1 11 11 THR N N 11 114.405 114.405 114.415 -0.010 19003 2994 1 9 . 1 1 11 11 THR HA H 11 4.246 4.246 4.240 0.006 19003 2995 1 9 . 1 1 11 11 THR C C 11 174.586 174.586 173.501 1.085 19003 2996 1 9 . 1 1 11 11 THR CA C 11 62.246 62.246 61.475 0.771 19003 2997 1 9 . 1 1 11 11 THR CB C 11 69.310 69.310 69.905 -0.595 19003 2998 1 9 . 1 1 12 12 TYR N N 12 123.008 123.008 118.983 4.025 19003 2999 1 9 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.924 -0.529 19003 3000 1 9 . 1 1 12 12 TYR C C 12 176.070 176.070 174.062 2.008 19003 3001 1 9 . 1 1 12 12 TYR CA C 12 58.510 58.510 57.034 1.476 19003 3002 1 9 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.883 -2.299 19003 3003 1 9 . 1 1 12 12 TYR H H 12 8.274 8.274 7.935 0.339 19003 3004 1 9 . 1 1 13 13 ARG N N 13 123.852 123.852 119.839 4.013 19003 3005 1 9 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.341 -0.091 19003 3006 1 9 . 1 1 13 13 ARG C C 13 176.829 176.829 174.640 2.189 19003 3007 1 9 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.799 0.576 19003 3008 1 9 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.627 -2.138 19003 3009 1 9 . 1 1 13 13 ARG H H 13 8.371 8.371 8.480 -0.109 19003 3010 1 9 . 1 1 14 14 GLY N N 14 108.394 108.394 113.783 -5.389 19003 3011 1 9 . 1 1 14 14 GLY C C 14 173.911 173.911 174.130 -0.219 19003 3012 1 9 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.007 0.160 19003 3013 1 9 . 1 1 14 14 GLY H H 14 7.646 7.646 8.514 -0.868 19003 3014 1 9 . 1 1 15 15 ARG N N 15 121.238 121.238 123.993 -2.755 19003 3015 1 9 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.294 -0.028 19003 3016 1 9 . 1 1 15 15 ARG C C 15 177.053 177.053 176.362 0.691 19003 3017 1 9 . 1 1 15 15 ARG CA C 15 56.286 56.286 53.964 2.322 19003 3018 1 9 . 1 1 15 15 ARG CB C 15 30.578 30.578 27.756 2.822 19003 3019 1 9 . 1 1 15 15 ARG H H 15 8.568 8.568 8.353 0.215 19003 3020 1 9 . 1 1 16 16 GLY N N 16 110.085 110.085 108.644 1.441 19003 3021 1 9 . 1 1 16 16 GLY C C 16 173.911 173.911 174.884 -0.973 19003 3022 1 9 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.448 0.075 19003 3023 1 9 . 1 1 16 16 GLY H H 16 8.525 8.525 7.948 0.577 19003 3024 1 9 . 1 1 17 17 VAL N N 17 119.300 119.300 115.038 4.262 19003 3025 1 9 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.976 0.073 19003 3026 1 9 . 1 1 17 17 VAL C C 17 175.147 175.147 175.942 -0.795 19003 3027 1 9 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.031 -1.141 19003 3028 1 9 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.483 0.231 19003 3029 1 9 . 1 1 18 18 ALA N N 18 128.131 128.131 128.265 -0.134 19003 3030 1 9 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.120 0.214 19003 3031 1 9 . 1 1 18 18 ALA C C 18 177.082 177.082 176.681 0.401 19003 3032 1 9 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.525 0.491 19003 3033 1 9 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.078 -0.064 19003 3034 1 9 . 1 1 18 18 ALA H H 18 8.367 8.367 8.286 0.081 19003 3035 1 9 . 1 1 19 19 LEU N N 19 122.503 122.503 117.300 5.203 19003 3036 1 9 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.130 0.508 19003 3037 1 9 . 1 1 19 19 LEU C C 19 177.058 177.058 176.465 0.593 19003 3038 1 9 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.703 -1.107 19003 3039 1 9 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.422 1.410 19003 3040 1 9 . 1 1 19 19 LEU H H 19 8.160 8.160 7.738 0.422 19003 3041 1 9 . 1 1 20 20 THR N N 20 115.199 115.199 114.482 0.717 19003 3042 1 9 . 1 1 20 20 THR HA H 20 4.524 4.524 4.254 0.270 19003 3043 1 9 . 1 1 20 20 THR C C 20 177.950 177.950 175.437 2.513 19003 3044 1 9 . 1 1 20 20 THR CA C 20 61.001 61.001 62.345 -1.344 19003 3045 1 9 . 1 1 20 20 THR CB C 20 70.697 70.697 70.041 0.656 19003 3046 1 9 . 1 1 21 21 ASP N N 21 121.413 121.413 123.109 -1.696 19003 3047 1 9 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.373 0.143 19003 3048 1 9 . 1 1 21 21 ASP C C 21 178.378 178.378 177.355 1.023 19003 3049 1 9 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.498 0.300 19003 3050 1 9 . 1 1 21 21 ASP CB C 21 39.918 39.918 40.827 -0.909 19003 3051 1 9 . 1 1 21 21 ASP H H 21 8.962 8.962 8.992 -0.029 19003 3052 1 9 . 1 1 22 22 ASP N N 22 117.981 117.981 120.833 -2.852 19003 3053 1 9 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.574 -0.018 19003 3054 1 9 . 1 1 22 22 ASP C C 22 178.869 178.869 178.272 0.597 19003 3055 1 9 . 1 1 22 22 ASP CA C 22 57.709 57.709 56.594 1.115 19003 3056 1 9 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.341 -1.067 19003 3057 1 9 . 1 1 22 22 ASP H H 22 8.467 8.467 8.232 0.235 19003 3058 1 9 . 1 1 23 23 GLU N N 23 120.900 120.900 120.988 -0.088 19003 3059 1 9 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.236 -0.058 19003 3060 1 9 . 1 1 23 23 GLU C C 23 178.452 178.452 178.641 -0.189 19003 3061 1 9 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.588 0.079 19003 3062 1 9 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.943 0.745 19003 3063 1 9 . 1 1 23 23 GLU H H 23 7.933 7.933 8.640 -0.707 19003 3064 1 9 . 1 1 24 24 TYR N N 24 119.764 119.764 119.327 0.437 19003 3065 1 9 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.885 0.438 19003 3066 1 9 . 1 1 24 24 TYR C C 24 177.589 177.589 177.520 0.069 19003 3067 1 9 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.632 0.866 19003 3068 1 9 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.515 -0.036 19003 3069 1 9 . 1 1 24 24 TYR H H 24 8.539 8.539 7.626 0.913 19003 3070 1 9 . 1 1 25 25 ASP N N 25 119.296 119.296 118.135 1.161 19003 3071 1 9 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.448 0.028 19003 3072 1 9 . 1 1 25 25 ASP C C 25 179.078 179.078 178.878 0.200 19003 3073 1 9 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.443 0.089 19003 3074 1 9 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.877 -0.696 19003 3075 1 9 . 1 1 25 25 ASP H H 25 8.369 8.369 8.203 0.166 19003 3076 1 9 . 1 1 26 26 GLU N N 26 121.770 121.770 119.118 2.652 19003 3077 1 9 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.308 -0.103 19003 3078 1 9 . 1 1 26 26 GLU C C 26 177.514 177.514 178.728 -1.214 19003 3079 1 9 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.654 0.746 19003 3080 1 9 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.429 1.348 19003 3081 1 9 . 1 1 26 26 GLU H H 26 8.356 8.356 8.509 -0.153 19003 3082 1 9 . 1 1 27 27 TRP N N 27 122.248 122.248 121.768 0.480 19003 3083 1 9 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.273 -0.095 19003 3084 1 9 . 1 1 27 27 TRP C C 27 177.873 177.873 177.200 0.673 19003 3085 1 9 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.555 -0.670 19003 3086 1 9 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.461 2.117 19003 3087 1 9 . 1 1 27 27 TRP H H 27 8.314 8.314 8.039 0.275 19003 3088 1 9 . 1 1 28 28 ARG N N 28 117.274 117.274 117.482 -0.208 19003 3089 1 9 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.097 -0.027 19003 3090 1 9 . 1 1 28 28 ARG C C 28 179.775 179.775 178.500 1.275 19003 3091 1 9 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.372 -0.951 19003 3092 1 9 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.219 0.515 19003 3093 1 9 . 1 1 28 28 ARG H H 28 7.974 7.974 7.339 0.635 19003 3094 1 9 . 1 1 29 29 GLU N N 29 121.770 121.770 119.549 2.221 19003 3095 1 9 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.057 -0.008 19003 3096 1 9 . 1 1 29 29 GLU C C 29 178.720 178.720 177.873 0.847 19003 3097 1 9 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.212 -0.257 19003 3098 1 9 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.800 -0.289 19003 3099 1 9 . 1 1 29 29 GLU H H 29 8.591 8.591 7.629 0.962 19003 3100 1 9 . 1 1 30 30 HIS N N 30 121.863 121.863 120.241 1.622 19003 3101 1 9 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.368 -1.233 19003 3102 1 9 . 1 1 30 30 HIS C C 30 176.308 176.308 177.452 -1.144 19003 3103 1 9 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.232 1.021 19003 3104 1 9 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.145 -2.276 19003 3105 1 9 . 1 1 30 30 HIS H H 30 8.723 8.723 8.438 0.285 19003 3106 1 9 . 1 1 31 31 ASN N N 31 117.257 117.257 117.456 -0.199 19003 3107 1 9 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.062 -0.006 19003 3108 1 9 . 1 1 31 31 ASN C C 31 178.035 178.035 176.958 1.077 19003 3109 1 9 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.384 -1.205 19003 3110 1 9 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.284 -1.461 19003 3111 1 9 . 1 1 31 31 ASN H H 31 7.405 7.405 8.229 -0.824 19003 3112 1 9 . 1 1 32 32 ALA N N 32 120.650 120.650 122.156 -1.506 19003 3113 1 9 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.966 0.099 19003 3114 1 9 . 1 1 32 32 ALA C C 32 180.463 180.463 180.313 0.150 19003 3115 1 9 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.943 -0.258 19003 3116 1 9 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.361 -0.148 19003 3117 1 9 . 1 1 32 32 ALA H H 32 7.905 7.905 7.307 0.598 19003 3118 1 9 . 1 1 33 33 SER N N 33 112.890 112.890 114.917 -2.027 19003 3119 1 9 . 1 1 33 33 SER HA H 33 4.205 4.205 4.310 -0.105 19003 3120 1 9 . 1 1 33 33 SER CA C 33 61.074 61.074 60.809 0.265 19003 3121 1 9 . 1 1 33 33 SER CB C 33 63.834 63.834 63.642 0.192 19003 3122 1 9 . 1 1 33 33 SER H H 33 8.569 8.569 8.715 -0.146 19003 3123 1 9 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.175 -0.014 19003 3124 1 9 . 1 1 34 34 ARG C C 34 174.641 174.641 175.707 -1.066 19003 3125 1 9 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.749 1.270 19003 3126 1 9 . 1 1 35 35 LYS N N 35 117.509 117.509 117.144 0.365 19003 3127 1 9 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.957 -0.069 19003 3128 1 9 . 1 1 35 35 LYS C C 35 175.501 175.501 175.909 -0.408 19003 3129 1 9 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.897 0.191 19003 3130 1 9 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.569 -0.859 19003 3131 1 9 . 1 1 35 35 LYS H H 35 7.492 7.492 7.884 -0.392 19003 3132 1 9 . 1 1 36 36 LEU N N 36 118.727 118.727 115.372 3.355 19003 3133 1 9 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.623 -0.028 19003 3134 1 9 . 1 1 36 36 LEU C C 36 175.281 175.281 175.587 -0.306 19003 3135 1 9 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.757 0.034 19003 3136 1 9 . 1 1 36 36 LEU CB C 36 46.374 46.374 44.693 1.681 19003 3137 1 9 . 1 1 36 36 LEU H H 36 8.165 8.165 7.790 0.375 19003 3138 1 9 . 1 1 37 37 ASP N N 37 121.035 121.035 119.721 1.314 19003 3139 1 9 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.672 0.068 19003 3140 1 9 . 1 1 37 37 ASP C C 37 175.921 175.921 175.332 0.589 19003 3141 1 9 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.436 -0.645 19003 3142 1 9 . 1 1 37 37 ASP CB C 37 41.300 41.300 40.814 0.486 19003 3143 1 9 . 1 1 37 37 ASP H H 37 8.403 8.403 8.214 0.189 19003 3144 1 9 . 1 1 38 38 LEU N N 38 119.070 119.070 118.184 0.886 19003 3145 1 9 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.845 -0.184 19003 3146 1 9 . 1 1 38 38 LEU C C 38 180.209 180.209 176.525 3.684 19003 3147 1 9 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.822 1.486 19003 3148 1 9 . 1 1 38 38 LEU CB C 38 43.210 43.210 44.457 -1.247 19003 3149 1 9 . 1 1 38 38 LEU H H 38 7.515 7.515 7.561 -0.046 19003 3150 1 9 . 1 1 39 39 SER N N 39 122.093 122.093 116.253 5.840 19003 3151 1 9 . 1 1 39 39 SER HA H 39 4.663 4.663 4.854 -0.191 19003 3152 1 9 . 1 1 39 39 SER C C 39 174.730 174.730 175.296 -0.566 19003 3153 1 9 . 1 1 39 39 SER CA C 39 57.343 57.343 57.338 0.005 19003 3154 1 9 . 1 1 39 39 SER CB C 39 64.879 64.879 64.260 0.619 19003 3155 1 9 . 1 1 39 39 SER H H 39 9.706 9.706 8.483 1.223 19003 3156 1 9 . 1 1 40 40 VAL N N 40 122.917 122.917 123.319 -0.402 19003 3157 1 9 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.110 0.558 19003 3158 1 9 . 1 1 40 40 VAL C C 40 177.187 177.187 177.090 0.097 19003 3159 1 9 . 1 1 40 40 VAL CA C 40 66.372 66.372 64.835 1.537 19003 3160 1 9 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.955 -0.102 19003 3161 1 9 . 1 1 41 41 GLU N N 41 118.661 118.661 119.959 -1.298 19003 3162 1 9 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.773 0.042 19003 3163 1 9 . 1 1 41 41 GLU C C 41 179.108 179.108 178.258 0.850 19003 3164 1 9 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.628 0.106 19003 3165 1 9 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.394 0.494 19003 3166 1 9 . 1 1 41 41 GLU H H 41 8.725 8.725 8.468 0.257 19003 3167 1 9 . 1 1 42 42 ASP N N 42 120.291 120.291 118.867 1.424 19003 3168 1 9 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.348 0.076 19003 3169 1 9 . 1 1 42 42 ASP C C 42 179.703 179.703 178.112 1.591 19003 3170 1 9 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.604 -0.161 19003 3171 1 9 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.127 -0.120 19003 3172 1 9 . 1 1 42 42 ASP H H 42 7.979 7.979 8.583 -0.604 19003 3173 1 9 . 1 1 43 43 PHE N N 43 123.091 123.091 120.625 2.466 19003 3174 1 9 . 1 1 43 43 PHE HA H 43 4.010 4.010 3.964 0.046 19003 3175 1 9 . 1 1 43 43 PHE C C 43 175.459 175.459 176.374 -0.915 19003 3176 1 9 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.040 0.108 19003 3177 1 9 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.008 0.725 19003 3178 1 9 . 1 1 43 43 PHE H H 43 8.656 8.656 7.201 1.455 19003 3179 1 9 . 1 1 44 44 LEU N N 44 119.965 119.965 119.478 0.487 19003 3180 1 9 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.769 -0.339 19003 3181 1 9 . 1 1 44 44 LEU C C 44 180.537 180.537 179.268 1.269 19003 3182 1 9 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.774 -0.058 19003 3183 1 9 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.984 0.241 19003 3184 1 9 . 1 1 44 44 LEU H H 44 8.702 8.702 8.720 -0.018 19003 3185 1 9 . 1 1 45 45 MET N N 45 118.100 118.100 118.454 -0.354 19003 3186 1 9 . 1 1 45 45 MET HA H 45 4.117 4.117 3.972 0.145 19003 3187 1 9 . 1 1 45 45 MET C C 45 178.274 178.274 178.694 -0.420 19003 3188 1 9 . 1 1 45 45 MET CA C 45 58.421 58.421 59.336 -0.915 19003 3189 1 9 . 1 1 45 45 MET CB C 45 32.268 32.268 32.650 -0.382 19003 3190 1 9 . 1 1 45 45 MET H H 45 7.829 7.829 8.205 -0.376 19003 3191 1 9 . 1 1 46 46 LEU N N 46 123.359 123.359 118.918 4.441 19003 3192 1 9 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.685 0.157 19003 3193 1 9 . 1 1 46 46 LEU C C 46 176.531 176.531 178.804 -2.273 19003 3194 1 9 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.768 -0.150 19003 3195 1 9 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.475 1.318 19003 3196 1 9 . 1 1 46 46 LEU H H 46 7.659 7.659 7.757 -0.098 19003 3197 1 9 . 1 1 47 47 ARG N N 47 118.271 118.271 116.137 2.134 19003 3198 1 9 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.904 -1.153 19003 3199 1 9 . 1 1 47 47 ARG C C 47 178.363 178.363 178.248 0.115 19003 3200 1 9 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.859 -0.855 19003 3201 1 9 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.038 1.069 19003 3202 1 9 . 1 1 47 47 ARG H H 47 7.955 7.955 7.760 0.195 19003 3203 1 9 . 1 1 48 48 HIS N N 48 117.915 117.915 120.156 -2.241 19003 3204 1 9 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.101 0.124 19003 3205 1 9 . 1 1 48 48 HIS C C 48 177.097 177.097 177.544 -0.447 19003 3206 1 9 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.219 0.092 19003 3207 1 9 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.972 0.606 19003 3208 1 9 . 1 1 48 48 HIS H H 48 7.609 7.609 8.051 -0.442 19003 3209 1 9 . 1 1 49 49 ARG N N 49 116.831 116.831 118.068 -1.237 19003 3210 1 9 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.914 0.064 19003 3211 1 9 . 1 1 49 49 ARG C C 49 179.242 179.242 178.763 0.479 19003 3212 1 9 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.525 -0.466 19003 3213 1 9 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.024 -1.334 19003 3214 1 9 . 1 1 49 49 ARG H H 49 7.980 7.980 8.663 -0.683 19003 3215 1 9 . 1 1 50 50 ALA N N 50 122.916 122.916 122.908 0.008 19003 3216 1 9 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.188 -0.208 19003 3217 1 9 . 1 1 50 50 ALA C C 50 181.207 181.207 179.457 1.750 19003 3218 1 9 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.834 0.207 19003 3219 1 9 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.501 0.691 19003 3220 1 9 . 1 1 50 50 ALA H H 50 8.734 8.734 8.046 0.688 19003 3221 1 9 . 1 1 51 51 ALA N N 51 122.005 122.005 120.064 1.941 19003 3222 1 9 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.119 -0.006 19003 3223 1 9 . 1 1 51 51 ALA C C 51 179.033 179.033 179.362 -0.329 19003 3224 1 9 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.435 0.147 19003 3225 1 9 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.961 -0.942 19003 3226 1 9 . 1 1 51 51 ALA H H 51 7.861 7.861 8.113 -0.252 19003 3227 1 9 . 1 1 52 52 LEU N N 52 117.205 117.205 116.979 0.226 19003 3228 1 9 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.437 -0.179 19003 3229 1 9 . 1 1 52 52 LEU C C 52 177.842 177.842 178.297 -0.455 19003 3230 1 9 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.150 -1.527 19003 3231 1 9 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.847 -1.238 19003 3232 1 9 . 1 1 52 52 LEU H H 52 7.277 7.277 8.452 -1.175 19003 3233 1 9 . 1 1 53 53 GLY N N 53 105.824 105.824 103.242 2.582 19003 3234 1 9 . 1 1 53 53 GLY C C 53 174.745 174.745 173.104 1.641 19003 3235 1 9 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.084 0.439 19003 3236 1 9 . 1 1 53 53 GLY H H 53 7.616 7.616 7.838 -0.222 19003 3237 1 9 . 1 1 54 54 ALA N N 54 122.086 122.086 123.073 -0.987 19003 3238 1 9 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.696 -0.469 19003 3239 1 9 . 1 1 54 54 ALA C C 54 178.035 178.035 175.551 2.484 19003 3240 1 9 . 1 1 54 54 ALA CA C 54 53.440 53.440 50.941 2.499 19003 3241 1 9 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.402 -1.677 19003 3242 1 9 . 1 1 54 54 ALA H H 54 7.637 7.637 8.214 -0.577 19003 3243 1 9 . 1 1 55 55 ASP N N 55 118.303 118.303 121.535 -3.232 19003 3244 1 9 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.760 -0.014 19003 3245 1 9 . 1 1 55 55 ASP C C 55 176.129 176.129 175.144 0.985 19003 3246 1 9 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.656 -0.660 19003 3247 1 9 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.815 -1.473 19003 3248 1 9 . 1 1 55 55 ASP H H 55 8.540 8.540 8.518 0.022 19003 3249 1 9 . 1 1 56 56 ASP N N 56 116.381 116.381 121.154 -4.773 19003 3250 1 9 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.550 0.063 19003 3251 1 9 . 1 1 56 56 ASP C C 56 175.638 175.638 177.714 -2.076 19003 3252 1 9 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.365 -0.836 19003 3253 1 9 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.048 0.005 19003 3254 1 9 . 1 1 56 56 ASP H H 56 7.469 7.469 7.988 -0.519 19003 3255 1 9 . 1 1 57 57 ASN N N 57 118.913 118.913 125.048 -6.135 19003 3256 1 9 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.330 0.001 19003 3257 1 9 . 1 1 57 57 ASN C C 57 176.963 176.963 176.908 0.055 19003 3258 1 9 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.341 1.013 19003 3259 1 9 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.190 1.106 19003 3260 1 9 . 1 1 57 57 ASN H H 57 9.033 9.033 8.878 0.155 19003 3261 1 9 . 1 1 58 58 ASP N N 58 117.610 117.610 121.506 -3.896 19003 3262 1 9 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.460 0.025 19003 3263 1 9 . 1 1 58 58 ASP C C 58 178.944 178.944 178.036 0.908 19003 3264 1 9 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.485 0.136 19003 3265 1 9 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.720 -0.713 19003 3266 1 9 . 1 1 58 58 ASP H H 58 8.519 8.519 8.052 0.467 19003 3267 1 9 . 1 1 59 59 ALA N N 59 126.800 126.800 121.401 5.399 19003 3268 1 9 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.080 -0.102 19003 3269 1 9 . 1 1 59 59 ALA C C 59 178.974 178.974 179.243 -0.269 19003 3270 1 9 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.220 0.532 19003 3271 1 9 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.536 0.567 19003 3272 1 9 . 1 1 59 59 ALA H H 59 8.067 8.067 7.885 0.182 19003 3273 1 9 . 1 1 60 60 VAL N N 60 119.673 119.673 115.932 3.741 19003 3274 1 9 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.714 -0.125 19003 3275 1 9 . 1 1 60 60 VAL C C 60 179.934 179.934 177.526 2.408 19003 3276 1 9 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.000 0.745 19003 3277 1 9 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.658 0.463 19003 3278 1 9 . 1 1 61 61 LYS N N 61 119.673 119.673 120.896 -1.223 19003 3279 1 9 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.056 0.146 19003 3280 1 9 . 1 1 61 61 LYS C C 61 180.135 180.135 179.258 0.877 19003 3281 1 9 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.493 -0.056 19003 3282 1 9 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.068 0.289 19003 3283 1 9 . 1 1 61 61 LYS H H 61 8.383 8.383 8.455 -0.072 19003 3284 1 9 . 1 1 62 62 PHE N N 62 122.324 122.324 122.113 0.211 19003 3285 1 9 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.324 0.010 19003 3286 1 9 . 1 1 62 62 PHE C C 62 177.038 177.038 176.987 0.051 19003 3287 1 9 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.134 1.557 19003 3288 1 9 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.346 -0.139 19003 3289 1 9 . 1 1 62 62 PHE H H 62 8.510 8.510 8.067 0.443 19003 3290 1 9 . 1 1 63 63 ARG N N 63 119.741 119.741 120.005 -0.264 19003 3291 1 9 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.861 0.213 19003 3292 1 9 . 1 1 63 63 ARG C C 63 178.586 178.586 178.532 0.054 19003 3293 1 9 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.531 1.648 19003 3294 1 9 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.625 1.131 19003 3295 1 9 . 1 1 63 63 ARG H H 63 8.724 8.724 8.742 -0.018 19003 3296 1 9 . 1 1 64 64 SER N N 64 113.962 113.962 115.458 -1.496 19003 3297 1 9 . 1 1 64 64 SER HA H 64 4.324 4.324 4.156 0.168 19003 3298 1 9 . 1 1 64 64 SER C C 64 177.297 177.297 176.399 0.898 19003 3299 1 9 . 1 1 64 64 SER CA C 64 61.550 61.550 61.926 -0.376 19003 3300 1 9 . 1 1 64 64 SER CB C 64 62.316 62.316 63.045 -0.729 19003 3301 1 9 . 1 1 64 64 SER H H 64 8.224 8.224 8.713 -0.489 19003 3302 1 9 . 1 1 65 65 TRP N N 65 123.490 123.490 123.184 0.306 19003 3303 1 9 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.476 -0.323 19003 3304 1 9 . 1 1 65 65 TRP C C 65 178.318 178.318 178.026 0.292 19003 3305 1 9 . 1 1 65 65 TRP CA C 65 61.712 61.712 59.980 1.732 19003 3306 1 9 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.666 -2.379 19003 3307 1 9 . 1 1 65 65 TRP H H 65 8.054 8.054 7.738 0.316 19003 3308 1 9 . 1 1 66 66 TRP N N 66 122.351 122.351 121.140 1.211 19003 3309 1 9 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.268 -0.180 19003 3310 1 9 . 1 1 66 66 TRP C C 66 178.959 178.959 176.454 2.505 19003 3311 1 9 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.850 1.403 19003 3312 1 9 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.631 -0.121 19003 3313 1 9 . 1 1 66 66 TRP H H 66 9.333 9.333 8.846 0.487 19003 3314 1 9 . 1 1 67 67 ASN N N 67 115.529 115.529 115.736 -0.207 19003 3315 1 9 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.594 -0.218 19003 3316 1 9 . 1 1 67 67 ASN C C 67 176.591 176.591 175.316 1.275 19003 3317 1 9 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.947 0.361 19003 3318 1 9 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.596 -0.101 19003 3319 1 9 . 1 1 67 67 ASN H H 67 8.586 8.586 8.385 0.201 19003 3320 1 9 . 1 1 68 68 SER N N 68 114.677 114.677 113.478 1.199 19003 3321 1 9 . 1 1 68 68 SER HA H 68 4.332 4.332 4.412 -0.080 19003 3322 1 9 . 1 1 68 68 SER C C 68 174.581 174.581 174.343 0.238 19003 3323 1 9 . 1 1 68 68 SER CA C 68 59.578 59.578 59.792 -0.214 19003 3324 1 9 . 1 1 68 68 SER CB C 68 63.670 63.670 63.822 -0.152 19003 3325 1 9 . 1 1 68 68 SER H H 68 7.600 7.600 7.407 0.193 19003 3326 1 9 . 1 1 69 69 ARG N N 69 121.618 121.618 118.720 2.898 19003 3327 1 9 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.384 -0.505 19003 3328 1 9 . 1 1 69 69 ARG C C 69 176.963 176.963 176.890 0.073 19003 3329 1 9 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.337 -0.250 19003 3330 1 9 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.720 -0.765 19003 3331 1 9 . 1 1 69 69 ARG H H 69 6.992 6.992 7.085 -0.093 19003 3332 1 9 . 1 1 70 70 THR N N 70 114.140 114.140 114.027 0.113 19003 3333 1 9 . 1 1 70 70 THR HA H 70 4.030 4.030 4.024 0.006 19003 3334 1 9 . 1 1 70 70 THR C C 70 174.506 174.506 174.083 0.423 19003 3335 1 9 . 1 1 70 70 THR CA C 70 62.513 62.513 62.073 0.440 19003 3336 1 9 . 1 1 70 70 THR CB C 70 69.378 69.378 69.323 0.055 19003 3337 1 9 . 1 1 71 71 LYS N N 71 123.490 123.490 116.190 7.300 19003 3338 1 9 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.861 0.326 19003 3339 1 9 . 1 1 71 71 LYS C C 71 176.531 176.531 175.533 0.998 19003 3340 1 9 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.636 -0.350 19003 3341 1 9 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.624 2.000 19003 3342 1 9 . 1 1 71 71 LYS H H 71 8.051 8.051 7.923 0.128 19003 3343 1 9 . 1 1 72 72 MET N N 72 121.388 121.388 112.302 9.086 19003 3344 1 9 . 1 1 72 72 MET HA H 72 4.376 4.376 4.245 0.131 19003 3345 1 9 . 1 1 72 72 MET C C 72 176.115 176.115 175.653 0.462 19003 3346 1 9 . 1 1 72 72 MET CA C 72 55.397 55.397 57.301 -1.904 19003 3347 1 9 . 1 1 72 72 MET CB C 72 32.446 32.446 32.203 0.243 19003 3348 1 9 . 1 1 72 72 MET H H 72 8.305 8.305 7.061 1.244 19003 3349 1 9 . 1 1 73 73 ALA N N 73 124.890 124.890 121.580 3.310 19003 3350 1 9 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.771 -0.542 19003 3351 1 9 . 1 1 73 73 ALA C C 73 177.499 177.499 177.145 0.354 19003 3352 1 9 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.750 0.889 19003 3353 1 9 . 1 1 73 73 ALA CB C 73 19.103 19.103 19.978 -0.875 19003 3354 1 9 . 1 1 73 73 ALA H H 73 8.272 8.272 8.916 -0.644 19003 3355 1 9 . 1 1 74 74 ASN N N 74 117.940 117.940 120.846 -2.906 19003 3356 1 9 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.448 0.182 19003 3357 1 9 . 1 1 74 74 ASN C C 74 174.893 174.893 174.948 -0.055 19003 3358 1 9 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.541 -3.457 19003 3359 1 9 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.866 0.252 19003 3360 1 9 . 1 1 74 74 ASN H H 74 8.408 8.408 8.570 -0.162 19003 3361 1 9 . 1 1 75 75 ASP N N 75 120.439 120.439 112.563 7.876 19003 3362 1 9 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.649 -0.107 19003 3363 1 9 . 1 1 75 75 ASP C C 75 175.861 175.861 174.202 1.659 19003 3364 1 9 . 1 1 75 75 ASP CA C 75 54.240 54.240 52.801 1.439 19003 3365 1 9 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.358 0.717 19003 3366 1 9 . 1 1 75 75 ASP H H 75 8.298 8.298 8.104 0.194 19003 3367 1 10 . 1 1 11 11 THR N N 11 114.405 114.405 114.962 -0.557 19003 3368 1 10 . 1 1 11 11 THR HA H 11 4.246 4.246 4.202 0.044 19003 3369 1 10 . 1 1 11 11 THR C C 11 174.586 174.586 172.856 1.730 19003 3370 1 10 . 1 1 11 11 THR CA C 11 62.246 62.246 61.216 1.030 19003 3371 1 10 . 1 1 11 11 THR CB C 11 69.310 69.310 70.535 -1.225 19003 3372 1 10 . 1 1 12 12 TYR N N 12 123.008 123.008 119.022 3.986 19003 3373 1 10 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.872 -0.477 19003 3374 1 10 . 1 1 12 12 TYR C C 12 176.070 176.070 174.349 1.721 19003 3375 1 10 . 1 1 12 12 TYR CA C 12 58.510 58.510 57.224 1.286 19003 3376 1 10 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.371 -1.787 19003 3377 1 10 . 1 1 12 12 TYR H H 12 8.274 8.274 8.149 0.125 19003 3378 1 10 . 1 1 13 13 ARG N N 13 123.852 123.852 119.086 4.766 19003 3379 1 10 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.377 -0.127 19003 3380 1 10 . 1 1 13 13 ARG C C 13 176.829 176.829 176.545 0.284 19003 3381 1 10 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.729 0.646 19003 3382 1 10 . 1 1 13 13 ARG CB C 13 30.489 30.489 33.083 -2.594 19003 3383 1 10 . 1 1 13 13 ARG H H 13 8.371 8.371 8.642 -0.271 19003 3384 1 10 . 1 1 14 14 GLY N N 14 108.394 108.394 115.151 -6.757 19003 3385 1 10 . 1 1 14 14 GLY C C 14 173.911 173.911 175.008 -1.097 19003 3386 1 10 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.398 -1.231 19003 3387 1 10 . 1 1 14 14 GLY H H 14 7.646 7.646 8.789 -1.143 19003 3388 1 10 . 1 1 15 15 ARG N N 15 121.238 121.238 124.709 -3.471 19003 3389 1 10 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.215 0.051 19003 3390 1 10 . 1 1 15 15 ARG C C 15 177.053 177.053 176.748 0.305 19003 3391 1 10 . 1 1 15 15 ARG CA C 15 56.286 56.286 53.986 2.300 19003 3392 1 10 . 1 1 15 15 ARG CB C 15 30.578 30.578 28.106 2.472 19003 3393 1 10 . 1 1 15 15 ARG H H 15 8.568 8.568 7.752 0.816 19003 3394 1 10 . 1 1 16 16 GLY N N 16 110.085 110.085 108.675 1.410 19003 3395 1 10 . 1 1 16 16 GLY C C 16 173.911 173.911 174.994 -1.083 19003 3396 1 10 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.297 0.225 19003 3397 1 10 . 1 1 16 16 GLY H H 16 8.525 8.525 7.974 0.551 19003 3398 1 10 . 1 1 17 17 VAL N N 17 119.300 119.300 115.202 4.098 19003 3399 1 10 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.002 0.047 19003 3400 1 10 . 1 1 17 17 VAL C C 17 175.147 175.147 175.957 -0.810 19003 3401 1 10 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.144 -1.254 19003 3402 1 10 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.154 0.559 19003 3403 1 10 . 1 1 18 18 ALA N N 18 128.131 128.131 128.878 -0.747 19003 3404 1 10 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.072 0.262 19003 3405 1 10 . 1 1 18 18 ALA C C 18 177.082 177.082 176.849 0.233 19003 3406 1 10 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.610 0.406 19003 3407 1 10 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.232 -0.218 19003 3408 1 10 . 1 1 18 18 ALA H H 18 8.367 8.367 8.314 0.053 19003 3409 1 10 . 1 1 19 19 LEU N N 19 122.503 122.503 117.389 5.114 19003 3410 1 10 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.144 0.494 19003 3411 1 10 . 1 1 19 19 LEU C C 19 177.058 177.058 176.242 0.816 19003 3412 1 10 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.759 -1.163 19003 3413 1 10 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.144 1.688 19003 3414 1 10 . 1 1 19 19 LEU H H 19 8.160 8.160 7.653 0.507 19003 3415 1 10 . 1 1 20 20 THR N N 20 115.199 115.199 113.873 1.326 19003 3416 1 10 . 1 1 20 20 THR HA H 20 4.524 4.524 4.347 0.177 19003 3417 1 10 . 1 1 20 20 THR C C 20 177.950 177.950 175.888 2.062 19003 3418 1 10 . 1 1 20 20 THR CA C 20 61.001 61.001 62.497 -1.496 19003 3419 1 10 . 1 1 20 20 THR CB C 20 70.697 70.697 70.065 0.632 19003 3420 1 10 . 1 1 21 21 ASP N N 21 121.413 121.413 120.954 0.459 19003 3421 1 10 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.411 0.105 19003 3422 1 10 . 1 1 21 21 ASP C C 21 178.378 178.378 177.847 0.531 19003 3423 1 10 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.654 0.145 19003 3424 1 10 . 1 1 21 21 ASP CB C 21 39.918 39.918 40.726 -0.808 19003 3425 1 10 . 1 1 21 21 ASP H H 21 8.962 8.962 8.761 0.201 19003 3426 1 10 . 1 1 22 22 ASP N N 22 117.981 117.981 120.879 -2.898 19003 3427 1 10 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.609 -0.053 19003 3428 1 10 . 1 1 22 22 ASP C C 22 178.869 178.869 178.248 0.621 19003 3429 1 10 . 1 1 22 22 ASP CA C 22 57.709 57.709 56.731 0.978 19003 3430 1 10 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.582 -1.308 19003 3431 1 10 . 1 1 22 22 ASP H H 22 8.467 8.467 8.118 0.349 19003 3432 1 10 . 1 1 23 23 GLU N N 23 120.900 120.900 120.679 0.221 19003 3433 1 10 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.217 -0.039 19003 3434 1 10 . 1 1 23 23 GLU C C 23 178.452 178.452 178.715 -0.263 19003 3435 1 10 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.473 0.194 19003 3436 1 10 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.816 0.872 19003 3437 1 10 . 1 1 23 23 GLU H H 23 7.933 7.933 8.805 -0.872 19003 3438 1 10 . 1 1 24 24 TYR N N 24 119.764 119.764 119.814 -0.050 19003 3439 1 10 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.887 0.436 19003 3440 1 10 . 1 1 24 24 TYR C C 24 177.589 177.589 177.329 0.260 19003 3441 1 10 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.552 0.946 19003 3442 1 10 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.566 -0.087 19003 3443 1 10 . 1 1 24 24 TYR H H 24 8.539 8.539 7.610 0.929 19003 3444 1 10 . 1 1 25 25 ASP N N 25 119.296 119.296 118.069 1.227 19003 3445 1 10 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.429 0.047 19003 3446 1 10 . 1 1 25 25 ASP C C 25 179.078 179.078 178.840 0.238 19003 3447 1 10 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.582 -0.050 19003 3448 1 10 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.953 -0.772 19003 3449 1 10 . 1 1 25 25 ASP H H 25 8.369 8.369 8.123 0.246 19003 3450 1 10 . 1 1 26 26 GLU N N 26 121.770 121.770 119.144 2.626 19003 3451 1 10 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.253 -0.048 19003 3452 1 10 . 1 1 26 26 GLU C C 26 177.514 177.514 178.742 -1.228 19003 3453 1 10 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.648 0.752 19003 3454 1 10 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.401 1.375 19003 3455 1 10 . 1 1 26 26 GLU H H 26 8.356 8.356 8.470 -0.114 19003 3456 1 10 . 1 1 27 27 TRP N N 27 122.248 122.248 121.887 0.361 19003 3457 1 10 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.198 -0.020 19003 3458 1 10 . 1 1 27 27 TRP C C 27 177.873 177.873 177.273 0.600 19003 3459 1 10 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.760 -0.875 19003 3460 1 10 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.376 2.202 19003 3461 1 10 . 1 1 27 27 TRP H H 27 8.314 8.314 8.131 0.183 19003 3462 1 10 . 1 1 28 28 ARG N N 28 117.274 117.274 117.707 -0.433 19003 3463 1 10 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.052 0.018 19003 3464 1 10 . 1 1 28 28 ARG C C 28 179.775 179.775 178.434 1.341 19003 3465 1 10 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.467 -1.046 19003 3466 1 10 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.445 0.288 19003 3467 1 10 . 1 1 28 28 ARG H H 28 7.974 7.974 7.476 0.498 19003 3468 1 10 . 1 1 29 29 GLU N N 29 121.770 121.770 119.781 1.989 19003 3469 1 10 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.074 -0.025 19003 3470 1 10 . 1 1 29 29 GLU C C 29 178.720 178.720 178.248 0.472 19003 3471 1 10 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.214 -0.259 19003 3472 1 10 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.753 -0.242 19003 3473 1 10 . 1 1 29 29 GLU H H 29 8.591 8.591 7.646 0.945 19003 3474 1 10 . 1 1 30 30 HIS N N 30 121.863 121.863 119.499 2.364 19003 3475 1 10 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.352 -1.217 19003 3476 1 10 . 1 1 30 30 HIS C C 30 176.308 176.308 177.520 -1.212 19003 3477 1 10 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.302 0.951 19003 3478 1 10 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.147 -2.278 19003 3479 1 10 . 1 1 30 30 HIS H H 30 8.723 8.723 8.524 0.199 19003 3480 1 10 . 1 1 31 31 ASN N N 31 117.257 117.257 117.355 -0.098 19003 3481 1 10 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.047 0.009 19003 3482 1 10 . 1 1 31 31 ASN C C 31 178.035 178.035 176.823 1.212 19003 3483 1 10 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.252 -1.073 19003 3484 1 10 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.116 -1.293 19003 3485 1 10 . 1 1 31 31 ASN H H 31 7.405 7.405 8.306 -0.901 19003 3486 1 10 . 1 1 32 32 ALA N N 32 120.650 120.650 121.500 -0.850 19003 3487 1 10 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.949 0.116 19003 3488 1 10 . 1 1 32 32 ALA C C 32 180.463 180.463 180.120 0.343 19003 3489 1 10 . 1 1 32 32 ALA CA C 32 54.685 54.685 55.040 -0.355 19003 3490 1 10 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.284 -0.071 19003 3491 1 10 . 1 1 32 32 ALA H H 32 7.905 7.905 7.234 0.671 19003 3492 1 10 . 1 1 33 33 SER N N 33 112.890 112.890 114.906 -2.016 19003 3493 1 10 . 1 1 33 33 SER HA H 33 4.205 4.205 4.309 -0.104 19003 3494 1 10 . 1 1 33 33 SER CA C 33 61.074 61.074 60.686 0.388 19003 3495 1 10 . 1 1 33 33 SER CB C 33 63.834 63.834 63.600 0.234 19003 3496 1 10 . 1 1 33 33 SER H H 33 8.569 8.569 8.668 -0.099 19003 3497 1 10 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.195 -0.034 19003 3498 1 10 . 1 1 34 34 ARG C C 34 174.641 174.641 175.616 -0.975 19003 3499 1 10 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.532 1.488 19003 3500 1 10 . 1 1 35 35 LYS N N 35 117.509 117.509 117.480 0.029 19003 3501 1 10 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.904 -0.016 19003 3502 1 10 . 1 1 35 35 LYS C C 35 175.501 175.501 175.891 -0.390 19003 3503 1 10 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.971 0.116 19003 3504 1 10 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.634 -0.924 19003 3505 1 10 . 1 1 35 35 LYS H H 35 7.492 7.492 7.747 -0.255 19003 3506 1 10 . 1 1 36 36 LEU N N 36 118.727 118.727 115.370 3.357 19003 3507 1 10 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.614 -0.019 19003 3508 1 10 . 1 1 36 36 LEU C C 36 175.281 175.281 175.504 -0.223 19003 3509 1 10 . 1 1 36 36 LEU CA C 36 52.791 52.791 53.041 -0.250 19003 3510 1 10 . 1 1 36 36 LEU CB C 36 46.374 46.374 44.828 1.546 19003 3511 1 10 . 1 1 36 36 LEU H H 36 8.165 8.165 7.748 0.417 19003 3512 1 10 . 1 1 37 37 ASP N N 37 121.035 121.035 120.832 0.203 19003 3513 1 10 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.996 -0.256 19003 3514 1 10 . 1 1 37 37 ASP C C 37 175.921 175.921 175.240 0.681 19003 3515 1 10 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.355 -0.564 19003 3516 1 10 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.129 0.171 19003 3517 1 10 . 1 1 37 37 ASP H H 37 8.403 8.403 8.162 0.241 19003 3518 1 10 . 1 1 38 38 LEU N N 38 119.070 119.070 118.961 0.109 19003 3519 1 10 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.925 -0.264 19003 3520 1 10 . 1 1 38 38 LEU C C 38 180.209 180.209 176.102 4.107 19003 3521 1 10 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.843 1.465 19003 3522 1 10 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.831 -0.621 19003 3523 1 10 . 1 1 38 38 LEU H H 38 7.515 7.515 7.697 -0.182 19003 3524 1 10 . 1 1 39 39 SER N N 39 122.093 122.093 117.989 4.104 19003 3525 1 10 . 1 1 39 39 SER HA H 39 4.663 4.663 4.846 -0.183 19003 3526 1 10 . 1 1 39 39 SER C C 39 174.730 174.730 175.385 -0.655 19003 3527 1 10 . 1 1 39 39 SER CA C 39 57.343 57.343 57.065 0.279 19003 3528 1 10 . 1 1 39 39 SER CB C 39 64.879 64.879 64.131 0.748 19003 3529 1 10 . 1 1 39 39 SER H H 39 9.706 9.706 8.765 0.941 19003 3530 1 10 . 1 1 40 40 VAL N N 40 122.917 122.917 123.631 -0.714 19003 3531 1 10 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.137 0.531 19003 3532 1 10 . 1 1 40 40 VAL C C 40 177.187 177.187 177.310 -0.123 19003 3533 1 10 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.509 0.863 19003 3534 1 10 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.866 -0.013 19003 3535 1 10 . 1 1 41 41 GLU N N 41 118.661 118.661 119.610 -0.949 19003 3536 1 10 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.756 0.059 19003 3537 1 10 . 1 1 41 41 GLU C C 41 179.108 179.108 178.200 0.908 19003 3538 1 10 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.570 0.164 19003 3539 1 10 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.755 0.133 19003 3540 1 10 . 1 1 41 41 GLU H H 41 8.725 8.725 8.676 0.049 19003 3541 1 10 . 1 1 42 42 ASP N N 42 120.291 120.291 118.394 1.897 19003 3542 1 10 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.331 0.093 19003 3543 1 10 . 1 1 42 42 ASP C C 42 179.703 179.703 178.466 1.237 19003 3544 1 10 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.291 0.152 19003 3545 1 10 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.318 -0.311 19003 3546 1 10 . 1 1 42 42 ASP H H 42 7.979 7.979 8.294 -0.315 19003 3547 1 10 . 1 1 43 43 PHE N N 43 123.091 123.091 121.842 1.249 19003 3548 1 10 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.054 -0.044 19003 3549 1 10 . 1 1 43 43 PHE C C 43 175.459 175.459 176.605 -1.146 19003 3550 1 10 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.377 -0.229 19003 3551 1 10 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.138 0.595 19003 3552 1 10 . 1 1 43 43 PHE H H 43 8.656 8.656 7.562 1.094 19003 3553 1 10 . 1 1 44 44 LEU N N 44 119.965 119.965 118.980 0.985 19003 3554 1 10 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.725 -0.295 19003 3555 1 10 . 1 1 44 44 LEU C C 44 180.537 180.537 179.182 1.355 19003 3556 1 10 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.910 -0.194 19003 3557 1 10 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.961 0.264 19003 3558 1 10 . 1 1 44 44 LEU H H 44 8.702 8.702 8.707 -0.005 19003 3559 1 10 . 1 1 45 45 MET N N 45 118.100 118.100 118.230 -0.130 19003 3560 1 10 . 1 1 45 45 MET HA H 45 4.117 4.117 3.968 0.149 19003 3561 1 10 . 1 1 45 45 MET C C 45 178.274 178.274 178.740 -0.466 19003 3562 1 10 . 1 1 45 45 MET CA C 45 58.421 58.421 59.288 -0.867 19003 3563 1 10 . 1 1 45 45 MET CB C 45 32.268 32.268 32.652 -0.384 19003 3564 1 10 . 1 1 45 45 MET H H 45 7.829 7.829 8.127 -0.298 19003 3565 1 10 . 1 1 46 46 LEU N N 46 123.359 123.359 118.971 4.388 19003 3566 1 10 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.656 0.186 19003 3567 1 10 . 1 1 46 46 LEU C C 46 176.531 176.531 178.801 -2.270 19003 3568 1 10 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.658 -0.040 19003 3569 1 10 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.453 1.340 19003 3570 1 10 . 1 1 46 46 LEU H H 46 7.659 7.659 7.918 -0.259 19003 3571 1 10 . 1 1 47 47 ARG N N 47 118.271 118.271 116.255 2.016 19003 3572 1 10 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.846 -1.095 19003 3573 1 10 . 1 1 47 47 ARG C C 47 178.363 178.363 178.065 0.298 19003 3574 1 10 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.723 -0.719 19003 3575 1 10 . 1 1 47 47 ARG CB C 47 30.107 30.107 28.944 1.163 19003 3576 1 10 . 1 1 47 47 ARG H H 47 7.955 7.955 7.697 0.258 19003 3577 1 10 . 1 1 48 48 HIS N N 48 117.915 117.915 120.524 -2.609 19003 3578 1 10 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.060 0.165 19003 3579 1 10 . 1 1 48 48 HIS C C 48 177.097 177.097 177.501 -0.404 19003 3580 1 10 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.384 -0.073 19003 3581 1 10 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.945 0.633 19003 3582 1 10 . 1 1 48 48 HIS H H 48 7.609 7.609 8.232 -0.623 19003 3583 1 10 . 1 1 49 49 ARG N N 49 116.831 116.831 118.072 -1.241 19003 3584 1 10 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.907 0.071 19003 3585 1 10 . 1 1 49 49 ARG C C 49 179.242 179.242 178.767 0.475 19003 3586 1 10 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.510 -0.451 19003 3587 1 10 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.990 -1.300 19003 3588 1 10 . 1 1 49 49 ARG H H 49 7.980 7.980 8.675 -0.695 19003 3589 1 10 . 1 1 50 50 ALA N N 50 122.916 122.916 122.653 0.263 19003 3590 1 10 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.136 -0.156 19003 3591 1 10 . 1 1 50 50 ALA C C 50 181.207 181.207 179.464 1.743 19003 3592 1 10 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.811 0.230 19003 3593 1 10 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.455 0.737 19003 3594 1 10 . 1 1 50 50 ALA H H 50 8.734 8.734 7.705 1.029 19003 3595 1 10 . 1 1 51 51 ALA N N 51 122.005 122.005 121.093 0.912 19003 3596 1 10 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.139 -0.026 19003 3597 1 10 . 1 1 51 51 ALA C C 51 179.033 179.033 179.304 -0.271 19003 3598 1 10 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.396 0.186 19003 3599 1 10 . 1 1 51 51 ALA CB C 51 18.019 18.019 19.029 -1.010 19003 3600 1 10 . 1 1 51 51 ALA H H 51 7.861 7.861 8.045 -0.184 19003 3601 1 10 . 1 1 52 52 LEU N N 52 117.205 117.205 117.366 -0.161 19003 3602 1 10 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.204 0.054 19003 3603 1 10 . 1 1 52 52 LEU C C 52 177.842 177.842 178.264 -0.422 19003 3604 1 10 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.318 -1.695 19003 3605 1 10 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.568 -0.959 19003 3606 1 10 . 1 1 52 52 LEU H H 52 7.277 7.277 8.289 -1.012 19003 3607 1 10 . 1 1 53 53 GLY N N 53 105.824 105.824 102.869 2.955 19003 3608 1 10 . 1 1 53 53 GLY C C 53 174.745 174.745 173.076 1.669 19003 3609 1 10 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.895 0.628 19003 3610 1 10 . 1 1 53 53 GLY H H 53 7.616 7.616 7.711 -0.095 19003 3611 1 10 . 1 1 54 54 ALA N N 54 122.086 122.086 123.036 -0.950 19003 3612 1 10 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.668 -0.441 19003 3613 1 10 . 1 1 54 54 ALA C C 54 178.035 178.035 175.634 2.401 19003 3614 1 10 . 1 1 54 54 ALA CA C 54 53.440 53.440 50.972 2.468 19003 3615 1 10 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.161 -1.436 19003 3616 1 10 . 1 1 54 54 ALA H H 54 7.637 7.637 8.079 -0.442 19003 3617 1 10 . 1 1 55 55 ASP N N 55 118.303 118.303 121.326 -3.023 19003 3618 1 10 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.755 -0.009 19003 3619 1 10 . 1 1 55 55 ASP C C 55 176.129 176.129 175.082 1.047 19003 3620 1 10 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.642 -0.647 19003 3621 1 10 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.874 -1.532 19003 3622 1 10 . 1 1 55 55 ASP H H 55 8.540 8.540 8.493 0.047 19003 3623 1 10 . 1 1 56 56 ASP N N 56 116.381 116.381 120.945 -4.564 19003 3624 1 10 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.597 0.016 19003 3625 1 10 . 1 1 56 56 ASP C C 56 175.638 175.638 177.572 -1.934 19003 3626 1 10 . 1 1 56 56 ASP CA C 56 53.529 53.529 53.974 -0.445 19003 3627 1 10 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.154 -0.100 19003 3628 1 10 . 1 1 56 56 ASP H H 56 7.469 7.469 8.007 -0.538 19003 3629 1 10 . 1 1 57 57 ASN N N 57 118.913 118.913 124.866 -5.953 19003 3630 1 10 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.376 -0.045 19003 3631 1 10 . 1 1 57 57 ASN C C 57 176.963 176.963 176.457 0.506 19003 3632 1 10 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.235 1.119 19003 3633 1 10 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.199 1.097 19003 3634 1 10 . 1 1 57 57 ASN H H 57 9.033 9.033 8.904 0.129 19003 3635 1 10 . 1 1 58 58 ASP N N 58 117.610 117.610 121.497 -3.887 19003 3636 1 10 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.463 0.022 19003 3637 1 10 . 1 1 58 58 ASP C C 58 178.944 178.944 177.831 1.113 19003 3638 1 10 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.524 0.097 19003 3639 1 10 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.552 -0.545 19003 3640 1 10 . 1 1 58 58 ASP H H 58 8.519 8.519 8.056 0.463 19003 3641 1 10 . 1 1 59 59 ALA N N 59 126.800 126.800 121.939 4.861 19003 3642 1 10 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.052 -0.074 19003 3643 1 10 . 1 1 59 59 ALA C C 59 178.974 178.974 179.341 -0.367 19003 3644 1 10 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.220 0.532 19003 3645 1 10 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.655 0.448 19003 3646 1 10 . 1 1 59 59 ALA H H 59 8.067 8.067 7.773 0.294 19003 3647 1 10 . 1 1 60 60 VAL N N 60 119.673 119.673 115.649 4.024 19003 3648 1 10 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.715 -0.126 19003 3649 1 10 . 1 1 60 60 VAL C C 60 179.934 179.934 177.538 2.396 19003 3650 1 10 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.124 0.621 19003 3651 1 10 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.666 0.455 19003 3652 1 10 . 1 1 61 61 LYS N N 61 119.673 119.673 121.074 -1.401 19003 3653 1 10 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.125 0.077 19003 3654 1 10 . 1 1 61 61 LYS C C 61 180.135 180.135 179.076 1.059 19003 3655 1 10 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.240 0.197 19003 3656 1 10 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.227 0.130 19003 3657 1 10 . 1 1 61 61 LYS H H 61 8.383 8.383 8.315 0.068 19003 3658 1 10 . 1 1 62 62 PHE N N 62 122.324 122.324 122.795 -0.471 19003 3659 1 10 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.267 0.067 19003 3660 1 10 . 1 1 62 62 PHE C C 62 177.038 177.038 176.965 0.073 19003 3661 1 10 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.650 1.041 19003 3662 1 10 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.311 -0.104 19003 3663 1 10 . 1 1 62 62 PHE H H 62 8.510 8.510 8.479 0.031 19003 3664 1 10 . 1 1 63 63 ARG N N 63 119.741 119.741 119.843 -0.102 19003 3665 1 10 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.931 0.143 19003 3666 1 10 . 1 1 63 63 ARG C C 63 178.586 178.586 178.447 0.139 19003 3667 1 10 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.440 1.739 19003 3668 1 10 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.674 1.082 19003 3669 1 10 . 1 1 63 63 ARG H H 63 8.724 8.724 8.776 -0.052 19003 3670 1 10 . 1 1 64 64 SER N N 64 113.962 113.962 115.234 -1.272 19003 3671 1 10 . 1 1 64 64 SER HA H 64 4.324 4.324 4.205 0.119 19003 3672 1 10 . 1 1 64 64 SER C C 64 177.297 177.297 176.323 0.974 19003 3673 1 10 . 1 1 64 64 SER CA C 64 61.550 61.550 62.740 -1.190 19003 3674 1 10 . 1 1 64 64 SER CB C 64 62.316 62.316 63.016 -0.700 19003 3675 1 10 . 1 1 64 64 SER H H 64 8.224 8.224 8.659 -0.435 19003 3676 1 10 . 1 1 65 65 TRP N N 65 123.490 123.490 122.252 1.238 19003 3677 1 10 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.445 -0.292 19003 3678 1 10 . 1 1 65 65 TRP C C 65 178.318 178.318 178.665 -0.347 19003 3679 1 10 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.376 1.336 19003 3680 1 10 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.610 -2.323 19003 3681 1 10 . 1 1 65 65 TRP H H 65 8.054 8.054 8.133 -0.079 19003 3682 1 10 . 1 1 66 66 TRP N N 66 122.351 122.351 120.506 1.845 19003 3683 1 10 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.243 -0.155 19003 3684 1 10 . 1 1 66 66 TRP C C 66 178.959 178.959 176.479 2.480 19003 3685 1 10 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.780 1.473 19003 3686 1 10 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.604 -0.094 19003 3687 1 10 . 1 1 66 66 TRP H H 66 9.333 9.333 8.810 0.523 19003 3688 1 10 . 1 1 67 67 ASN N N 67 115.529 115.529 115.959 -0.430 19003 3689 1 10 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.613 -0.237 19003 3690 1 10 . 1 1 67 67 ASN C C 67 176.591 176.591 175.384 1.207 19003 3691 1 10 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.939 0.369 19003 3692 1 10 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.697 -0.202 19003 3693 1 10 . 1 1 67 67 ASN H H 67 8.586 8.586 8.447 0.139 19003 3694 1 10 . 1 1 68 68 SER N N 68 114.677 114.677 113.899 0.778 19003 3695 1 10 . 1 1 68 68 SER HA H 68 4.332 4.332 4.393 -0.061 19003 3696 1 10 . 1 1 68 68 SER C C 68 174.581 174.581 174.341 0.240 19003 3697 1 10 . 1 1 68 68 SER CA C 68 59.578 59.578 59.931 -0.353 19003 3698 1 10 . 1 1 68 68 SER CB C 68 63.670 63.670 63.791 -0.121 19003 3699 1 10 . 1 1 68 68 SER H H 68 7.600 7.600 7.432 0.168 19003 3700 1 10 . 1 1 69 69 ARG N N 69 121.618 121.618 118.915 2.703 19003 3701 1 10 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.384 -0.505 19003 3702 1 10 . 1 1 69 69 ARG C C 69 176.963 176.963 176.897 0.066 19003 3703 1 10 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.324 -0.237 19003 3704 1 10 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.676 -0.721 19003 3705 1 10 . 1 1 69 69 ARG H H 69 6.992 6.992 7.077 -0.085 19003 3706 1 10 . 1 1 70 70 THR N N 70 114.140 114.140 114.091 0.049 19003 3707 1 10 . 1 1 70 70 THR HA H 70 4.030 4.030 4.021 0.009 19003 3708 1 10 . 1 1 70 70 THR C C 70 174.506 174.506 174.598 -0.092 19003 3709 1 10 . 1 1 70 70 THR CA C 70 62.513 62.513 62.899 -0.386 19003 3710 1 10 . 1 1 70 70 THR CB C 70 69.378 69.378 69.481 -0.103 19003 3711 1 10 . 1 1 71 71 LYS N N 71 123.490 123.490 115.656 7.834 19003 3712 1 10 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.865 0.322 19003 3713 1 10 . 1 1 71 71 LYS C C 71 176.531 176.531 175.567 0.964 19003 3714 1 10 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.783 -0.497 19003 3715 1 10 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.780 1.844 19003 3716 1 10 . 1 1 71 71 LYS H H 71 8.051 8.051 7.899 0.152 19003 3717 1 10 . 1 1 72 72 MET N N 72 121.388 121.388 111.973 9.415 19003 3718 1 10 . 1 1 72 72 MET HA H 72 4.376 4.376 4.221 0.155 19003 3719 1 10 . 1 1 72 72 MET C C 72 176.115 176.115 175.808 0.307 19003 3720 1 10 . 1 1 72 72 MET CA C 72 55.397 55.397 57.336 -1.939 19003 3721 1 10 . 1 1 72 72 MET CB C 72 32.446 32.446 32.179 0.267 19003 3722 1 10 . 1 1 72 72 MET H H 72 8.305 8.305 7.154 1.151 19003 3723 1 10 . 1 1 73 73 ALA N N 73 124.890 124.890 121.892 2.998 19003 3724 1 10 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.912 -0.683 19003 3725 1 10 . 1 1 73 73 ALA C C 73 177.499 177.499 177.431 0.068 19003 3726 1 10 . 1 1 73 73 ALA CA C 73 52.639 52.639 52.053 0.585 19003 3727 1 10 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.035 -0.932 19003 3728 1 10 . 1 1 73 73 ALA H H 73 8.272 8.272 8.433 -0.161 19003 3729 1 10 . 1 1 74 74 ASN N N 74 117.940 117.940 121.504 -3.564 19003 3730 1 10 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.487 0.143 19003 3731 1 10 . 1 1 74 74 ASN C C 74 174.893 174.893 175.371 -0.478 19003 3732 1 10 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.300 -3.216 19003 3733 1 10 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.673 0.445 19003 3734 1 10 . 1 1 74 74 ASN H H 74 8.408 8.408 9.227 -0.819 19003 3735 1 10 . 1 1 75 75 ASP N N 75 120.439 120.439 114.289 6.150 19003 3736 1 10 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.805 -0.263 19003 3737 1 10 . 1 1 75 75 ASP C C 75 175.861 175.861 174.731 1.130 19003 3738 1 10 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.082 1.158 19003 3739 1 10 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.345 0.730 19003 3740 1 10 . 1 1 75 75 ASP H H 75 8.298 8.298 8.048 0.250 19003 3741 1 11 . 1 1 11 11 THR N N 11 114.405 114.405 112.793 1.612 19003 3742 1 11 . 1 1 11 11 THR HA H 11 4.246 4.246 4.144 0.102 19003 3743 1 11 . 1 1 11 11 THR C C 11 174.586 174.586 172.552 2.034 19003 3744 1 11 . 1 1 11 11 THR CA C 11 62.246 62.246 61.376 0.870 19003 3745 1 11 . 1 1 11 11 THR CB C 11 69.310 69.310 70.597 -1.287 19003 3746 1 11 . 1 1 12 12 TYR N N 12 123.008 123.008 118.985 4.023 19003 3747 1 11 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.944 -0.549 19003 3748 1 11 . 1 1 12 12 TYR C C 12 176.070 176.070 174.069 2.001 19003 3749 1 11 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.523 1.987 19003 3750 1 11 . 1 1 12 12 TYR CB C 12 38.584 38.584 41.097 -2.513 19003 3751 1 11 . 1 1 12 12 TYR H H 12 8.274 8.274 8.317 -0.043 19003 3752 1 11 . 1 1 13 13 ARG N N 13 123.852 123.852 119.148 4.704 19003 3753 1 11 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.394 -0.144 19003 3754 1 11 . 1 1 13 13 ARG C C 13 176.829 176.829 176.506 0.323 19003 3755 1 11 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.846 0.529 19003 3756 1 11 . 1 1 13 13 ARG CB C 13 30.489 30.489 33.062 -2.572 19003 3757 1 11 . 1 1 13 13 ARG H H 13 8.371 8.371 8.633 -0.262 19003 3758 1 11 . 1 1 14 14 GLY N N 14 108.394 108.394 114.881 -6.487 19003 3759 1 11 . 1 1 14 14 GLY C C 14 173.911 173.911 174.939 -1.028 19003 3760 1 11 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.339 -1.172 19003 3761 1 11 . 1 1 14 14 GLY H H 14 7.646 7.646 8.770 -1.124 19003 3762 1 11 . 1 1 15 15 ARG N N 15 121.238 121.238 124.325 -3.087 19003 3763 1 11 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.249 0.017 19003 3764 1 11 . 1 1 15 15 ARG C C 15 177.053 177.053 176.714 0.339 19003 3765 1 11 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.003 2.283 19003 3766 1 11 . 1 1 15 15 ARG CB C 15 30.578 30.578 28.125 2.453 19003 3767 1 11 . 1 1 15 15 ARG H H 15 8.568 8.568 7.646 0.922 19003 3768 1 11 . 1 1 16 16 GLY N N 16 110.085 110.085 108.356 1.729 19003 3769 1 11 . 1 1 16 16 GLY C C 16 173.911 173.911 174.894 -0.983 19003 3770 1 11 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.340 0.183 19003 3771 1 11 . 1 1 16 16 GLY H H 16 8.525 8.525 7.924 0.601 19003 3772 1 11 . 1 1 17 17 VAL N N 17 119.300 119.300 115.535 3.765 19003 3773 1 11 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.012 0.037 19003 3774 1 11 . 1 1 17 17 VAL C C 17 175.147 175.147 175.671 -0.524 19003 3775 1 11 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.273 -1.383 19003 3776 1 11 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.449 0.264 19003 3777 1 11 . 1 1 18 18 ALA N N 18 128.131 128.131 129.252 -1.121 19003 3778 1 11 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.071 0.263 19003 3779 1 11 . 1 1 18 18 ALA C C 18 177.082 177.082 176.645 0.437 19003 3780 1 11 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.605 0.411 19003 3781 1 11 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.248 -0.234 19003 3782 1 11 . 1 1 18 18 ALA H H 18 8.367 8.367 8.214 0.153 19003 3783 1 11 . 1 1 19 19 LEU N N 19 122.503 122.503 117.562 4.941 19003 3784 1 11 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.089 0.549 19003 3785 1 11 . 1 1 19 19 LEU C C 19 177.058 177.058 175.991 1.067 19003 3786 1 11 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.749 -1.153 19003 3787 1 11 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.238 1.594 19003 3788 1 11 . 1 1 19 19 LEU H H 19 8.160 8.160 7.658 0.502 19003 3789 1 11 . 1 1 20 20 THR N N 20 115.199 115.199 113.781 1.418 19003 3790 1 11 . 1 1 20 20 THR HA H 20 4.524 4.524 4.367 0.157 19003 3791 1 11 . 1 1 20 20 THR C C 20 177.950 177.950 175.678 2.272 19003 3792 1 11 . 1 1 20 20 THR CA C 20 61.001 61.001 61.541 -0.540 19003 3793 1 11 . 1 1 20 20 THR CB C 20 70.697 70.697 70.477 0.220 19003 3794 1 11 . 1 1 21 21 ASP N N 21 121.413 121.413 123.681 -2.268 19003 3795 1 11 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.349 0.167 19003 3796 1 11 . 1 1 21 21 ASP C C 21 178.378 178.378 177.848 0.530 19003 3797 1 11 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.961 -1.163 19003 3798 1 11 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.012 -1.094 19003 3799 1 11 . 1 1 21 21 ASP H H 21 8.962 8.962 8.898 0.064 19003 3800 1 11 . 1 1 22 22 ASP N N 22 117.981 117.981 119.918 -1.937 19003 3801 1 11 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.479 0.077 19003 3802 1 11 . 1 1 22 22 ASP C C 22 178.869 178.869 178.240 0.629 19003 3803 1 11 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.169 0.540 19003 3804 1 11 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.139 -0.865 19003 3805 1 11 . 1 1 22 22 ASP H H 22 8.467 8.467 8.274 0.193 19003 3806 1 11 . 1 1 23 23 GLU N N 23 120.900 120.900 120.376 0.524 19003 3807 1 11 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.178 -0.000 19003 3808 1 11 . 1 1 23 23 GLU C C 23 178.452 178.452 178.827 -0.375 19003 3809 1 11 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.515 0.152 19003 3810 1 11 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.753 0.935 19003 3811 1 11 . 1 1 23 23 GLU H H 23 7.933 7.933 8.657 -0.724 19003 3812 1 11 . 1 1 24 24 TYR N N 24 119.764 119.764 120.176 -0.412 19003 3813 1 11 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.924 0.399 19003 3814 1 11 . 1 1 24 24 TYR C C 24 177.589 177.589 177.506 0.083 19003 3815 1 11 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.493 1.004 19003 3816 1 11 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.529 -0.050 19003 3817 1 11 . 1 1 24 24 TYR H H 24 8.539 8.539 7.802 0.737 19003 3818 1 11 . 1 1 25 25 ASP N N 25 119.296 119.296 118.398 0.898 19003 3819 1 11 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.412 0.064 19003 3820 1 11 . 1 1 25 25 ASP C C 25 179.078 179.078 178.894 0.184 19003 3821 1 11 . 1 1 25 25 ASP CA C 25 57.532 57.532 58.047 -0.515 19003 3822 1 11 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.832 -0.651 19003 3823 1 11 . 1 1 25 25 ASP H H 25 8.369 8.369 7.824 0.545 19003 3824 1 11 . 1 1 26 26 GLU N N 26 121.770 121.770 119.014 2.756 19003 3825 1 11 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.276 -0.071 19003 3826 1 11 . 1 1 26 26 GLU C C 26 177.514 177.514 178.757 -1.243 19003 3827 1 11 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.158 1.242 19003 3828 1 11 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.186 1.591 19003 3829 1 11 . 1 1 26 26 GLU H H 26 8.356 8.356 8.627 -0.271 19003 3830 1 11 . 1 1 27 27 TRP N N 27 122.248 122.248 121.858 0.390 19003 3831 1 11 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.140 0.038 19003 3832 1 11 . 1 1 27 27 TRP C C 27 177.873 177.873 177.335 0.538 19003 3833 1 11 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.822 -0.937 19003 3834 1 11 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.341 2.237 19003 3835 1 11 . 1 1 27 27 TRP H H 27 8.314 8.314 8.034 0.280 19003 3836 1 11 . 1 1 28 28 ARG N N 28 117.274 117.274 117.415 -0.141 19003 3837 1 11 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.063 0.007 19003 3838 1 11 . 1 1 28 28 ARG C C 28 179.775 179.775 178.443 1.332 19003 3839 1 11 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.400 -0.979 19003 3840 1 11 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.430 0.304 19003 3841 1 11 . 1 1 28 28 ARG H H 28 7.974 7.974 7.305 0.669 19003 3842 1 11 . 1 1 29 29 GLU N N 29 121.770 121.770 119.726 2.044 19003 3843 1 11 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.046 0.003 19003 3844 1 11 . 1 1 29 29 GLU C C 29 178.720 178.720 177.795 0.925 19003 3845 1 11 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.084 -0.129 19003 3846 1 11 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.848 -0.337 19003 3847 1 11 . 1 1 29 29 GLU H H 29 8.591 8.591 7.568 1.023 19003 3848 1 11 . 1 1 30 30 HIS N N 30 121.863 121.863 120.249 1.614 19003 3849 1 11 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.351 -1.216 19003 3850 1 11 . 1 1 30 30 HIS C C 30 176.308 176.308 177.470 -1.162 19003 3851 1 11 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.286 0.967 19003 3852 1 11 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.156 -2.287 19003 3853 1 11 . 1 1 30 30 HIS H H 30 8.723 8.723 8.637 0.086 19003 3854 1 11 . 1 1 31 31 ASN N N 31 117.257 117.257 117.563 -0.306 19003 3855 1 11 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.072 -0.016 19003 3856 1 11 . 1 1 31 31 ASN C C 31 178.035 178.035 176.903 1.132 19003 3857 1 11 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.218 -1.039 19003 3858 1 11 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.367 -1.544 19003 3859 1 11 . 1 1 31 31 ASN H H 31 7.405 7.405 8.126 -0.721 19003 3860 1 11 . 1 1 32 32 ALA N N 32 120.650 120.650 121.933 -1.283 19003 3861 1 11 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.957 0.108 19003 3862 1 11 . 1 1 32 32 ALA C C 32 180.463 180.463 180.327 0.136 19003 3863 1 11 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.814 -0.129 19003 3864 1 11 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.406 -0.193 19003 3865 1 11 . 1 1 32 32 ALA H H 32 7.905 7.905 7.249 0.656 19003 3866 1 11 . 1 1 33 33 SER N N 33 112.890 112.890 114.955 -2.065 19003 3867 1 11 . 1 1 33 33 SER HA H 33 4.205 4.205 4.285 -0.080 19003 3868 1 11 . 1 1 33 33 SER CA C 33 61.074 61.074 61.119 -0.045 19003 3869 1 11 . 1 1 33 33 SER CB C 33 63.834 63.834 63.667 0.167 19003 3870 1 11 . 1 1 33 33 SER H H 33 8.569 8.569 8.639 -0.070 19003 3871 1 11 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.054 0.107 19003 3872 1 11 . 1 1 34 34 ARG C C 34 174.641 174.641 175.666 -1.025 19003 3873 1 11 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.732 1.287 19003 3874 1 11 . 1 1 35 35 LYS N N 35 117.509 117.509 115.459 2.050 19003 3875 1 11 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.952 -0.064 19003 3876 1 11 . 1 1 35 35 LYS C C 35 175.501 175.501 176.005 -0.504 19003 3877 1 11 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.153 -0.066 19003 3878 1 11 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.393 -0.683 19003 3879 1 11 . 1 1 35 35 LYS H H 35 7.492 7.492 7.702 -0.210 19003 3880 1 11 . 1 1 36 36 LEU N N 36 118.727 118.727 116.327 2.400 19003 3881 1 11 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.514 0.081 19003 3882 1 11 . 1 1 36 36 LEU C C 36 175.281 175.281 176.231 -0.950 19003 3883 1 11 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.844 -0.053 19003 3884 1 11 . 1 1 36 36 LEU CB C 36 46.374 46.374 42.993 3.381 19003 3885 1 11 . 1 1 36 36 LEU H H 36 8.165 8.165 7.004 1.161 19003 3886 1 11 . 1 1 37 37 ASP N N 37 121.035 121.035 119.684 1.351 19003 3887 1 11 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.703 0.037 19003 3888 1 11 . 1 1 37 37 ASP C C 37 175.921 175.921 174.929 0.992 19003 3889 1 11 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.522 -0.731 19003 3890 1 11 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.616 -0.316 19003 3891 1 11 . 1 1 37 37 ASP H H 37 8.403 8.403 8.078 0.325 19003 3892 1 11 . 1 1 38 38 LEU N N 38 119.070 119.070 119.832 -0.762 19003 3893 1 11 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.850 -0.189 19003 3894 1 11 . 1 1 38 38 LEU C C 38 180.209 180.209 175.718 4.491 19003 3895 1 11 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.574 1.734 19003 3896 1 11 . 1 1 38 38 LEU CB C 38 43.210 43.210 44.942 -1.732 19003 3897 1 11 . 1 1 38 38 LEU H H 38 7.515 7.515 8.018 -0.503 19003 3898 1 11 . 1 1 39 39 SER N N 39 122.093 122.093 115.785 6.308 19003 3899 1 11 . 1 1 39 39 SER HA H 39 4.663 4.663 5.041 -0.378 19003 3900 1 11 . 1 1 39 39 SER C C 39 174.730 174.730 174.939 -0.209 19003 3901 1 11 . 1 1 39 39 SER CA C 39 57.343 57.343 56.709 0.634 19003 3902 1 11 . 1 1 39 39 SER CB C 39 64.879 64.879 64.776 0.103 19003 3903 1 11 . 1 1 39 39 SER H H 39 9.706 9.706 8.475 1.231 19003 3904 1 11 . 1 1 40 40 VAL N N 40 122.917 122.917 123.405 -0.488 19003 3905 1 11 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.184 0.484 19003 3906 1 11 . 1 1 40 40 VAL C C 40 177.187 177.187 177.278 -0.091 19003 3907 1 11 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.377 0.995 19003 3908 1 11 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.869 -0.016 19003 3909 1 11 . 1 1 41 41 GLU N N 41 118.661 118.661 119.700 -1.039 19003 3910 1 11 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.794 0.021 19003 3911 1 11 . 1 1 41 41 GLU C C 41 179.108 179.108 178.150 0.958 19003 3912 1 11 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.523 0.211 19003 3913 1 11 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.829 0.059 19003 3914 1 11 . 1 1 41 41 GLU H H 41 8.725 8.725 8.715 0.010 19003 3915 1 11 . 1 1 42 42 ASP N N 42 120.291 120.291 119.174 1.117 19003 3916 1 11 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.303 0.121 19003 3917 1 11 . 1 1 42 42 ASP C C 42 179.703 179.703 178.153 1.550 19003 3918 1 11 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.953 -0.510 19003 3919 1 11 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.170 -0.163 19003 3920 1 11 . 1 1 42 42 ASP H H 42 7.979 7.979 8.306 -0.327 19003 3921 1 11 . 1 1 43 43 PHE N N 43 123.091 123.091 120.746 2.345 19003 3922 1 11 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.030 -0.020 19003 3923 1 11 . 1 1 43 43 PHE C C 43 175.459 175.459 176.554 -1.095 19003 3924 1 11 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.387 -0.239 19003 3925 1 11 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.221 0.512 19003 3926 1 11 . 1 1 43 43 PHE H H 43 8.656 8.656 7.420 1.236 19003 3927 1 11 . 1 1 44 44 LEU N N 44 119.965 119.965 118.551 1.414 19003 3928 1 11 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.665 -0.235 19003 3929 1 11 . 1 1 44 44 LEU C C 44 180.537 180.537 178.955 1.582 19003 3930 1 11 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.817 -0.101 19003 3931 1 11 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.701 0.524 19003 3932 1 11 . 1 1 44 44 LEU H H 44 8.702 8.702 8.631 0.071 19003 3933 1 11 . 1 1 45 45 MET N N 45 118.100 118.100 118.508 -0.408 19003 3934 1 11 . 1 1 45 45 MET HA H 45 4.117 4.117 4.034 0.083 19003 3935 1 11 . 1 1 45 45 MET C C 45 178.274 178.274 178.775 -0.501 19003 3936 1 11 . 1 1 45 45 MET CA C 45 58.421 58.421 59.297 -0.876 19003 3937 1 11 . 1 1 45 45 MET CB C 45 32.268 32.268 32.807 -0.539 19003 3938 1 11 . 1 1 45 45 MET H H 45 7.829 7.829 7.966 -0.137 19003 3939 1 11 . 1 1 46 46 LEU N N 46 123.359 123.359 119.440 3.919 19003 3940 1 11 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.695 0.147 19003 3941 1 11 . 1 1 46 46 LEU C C 46 176.531 176.531 178.963 -2.432 19003 3942 1 11 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.576 0.042 19003 3943 1 11 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.514 1.279 19003 3944 1 11 . 1 1 46 46 LEU H H 46 7.659 7.659 7.873 -0.214 19003 3945 1 11 . 1 1 47 47 ARG N N 47 118.271 118.271 117.722 0.549 19003 3946 1 11 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.588 -0.837 19003 3947 1 11 . 1 1 47 47 ARG C C 47 178.363 178.363 177.874 0.489 19003 3948 1 11 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.239 -1.235 19003 3949 1 11 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.720 0.387 19003 3950 1 11 . 1 1 47 47 ARG H H 47 7.955 7.955 7.712 0.243 19003 3951 1 11 . 1 1 48 48 HIS N N 48 117.915 117.915 118.846 -0.931 19003 3952 1 11 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.035 0.190 19003 3953 1 11 . 1 1 48 48 HIS C C 48 177.097 177.097 177.663 -0.566 19003 3954 1 11 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.374 -0.063 19003 3955 1 11 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.777 0.801 19003 3956 1 11 . 1 1 48 48 HIS H H 48 7.609 7.609 8.236 -0.627 19003 3957 1 11 . 1 1 49 49 ARG N N 49 116.831 116.831 118.073 -1.242 19003 3958 1 11 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.900 0.078 19003 3959 1 11 . 1 1 49 49 ARG C C 49 179.242 179.242 178.744 0.498 19003 3960 1 11 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.327 -0.268 19003 3961 1 11 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.003 -1.312 19003 3962 1 11 . 1 1 49 49 ARG H H 49 7.980 7.980 8.447 -0.467 19003 3963 1 11 . 1 1 50 50 ALA N N 50 122.916 122.916 122.332 0.584 19003 3964 1 11 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.138 -0.158 19003 3965 1 11 . 1 1 50 50 ALA C C 50 181.207 181.207 179.428 1.779 19003 3966 1 11 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.725 0.316 19003 3967 1 11 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.489 0.703 19003 3968 1 11 . 1 1 50 50 ALA H H 50 8.734 8.734 7.493 1.241 19003 3969 1 11 . 1 1 51 51 ALA N N 51 122.005 122.005 120.787 1.218 19003 3970 1 11 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.077 0.036 19003 3971 1 11 . 1 1 51 51 ALA C C 51 179.033 179.033 179.360 -0.327 19003 3972 1 11 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.613 -0.031 19003 3973 1 11 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.992 -0.973 19003 3974 1 11 . 1 1 51 51 ALA H H 51 7.861 7.861 8.063 -0.202 19003 3975 1 11 . 1 1 52 52 LEU N N 52 117.205 117.205 117.017 0.188 19003 3976 1 11 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.380 -0.122 19003 3977 1 11 . 1 1 52 52 LEU C C 52 177.842 177.842 178.450 -0.608 19003 3978 1 11 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.322 -1.699 19003 3979 1 11 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.643 -1.034 19003 3980 1 11 . 1 1 52 52 LEU H H 52 7.277 7.277 8.624 -1.347 19003 3981 1 11 . 1 1 53 53 GLY N N 53 105.824 105.824 102.319 3.505 19003 3982 1 11 . 1 1 53 53 GLY C C 53 174.745 174.745 173.318 1.427 19003 3983 1 11 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.033 0.490 19003 3984 1 11 . 1 1 53 53 GLY H H 53 7.616 7.616 7.782 -0.166 19003 3985 1 11 . 1 1 54 54 ALA N N 54 122.086 122.086 123.077 -0.991 19003 3986 1 11 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.536 -0.309 19003 3987 1 11 . 1 1 54 54 ALA C C 54 178.035 178.035 175.969 2.066 19003 3988 1 11 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.410 2.030 19003 3989 1 11 . 1 1 54 54 ALA CB C 54 19.725 19.725 20.488 -0.763 19003 3990 1 11 . 1 1 54 54 ALA H H 54 7.637 7.637 7.740 -0.103 19003 3991 1 11 . 1 1 55 55 ASP N N 55 118.303 118.303 121.559 -3.256 19003 3992 1 11 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.753 -0.007 19003 3993 1 11 . 1 1 55 55 ASP C C 55 176.129 176.129 174.893 1.236 19003 3994 1 11 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.700 -0.705 19003 3995 1 11 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.147 -0.805 19003 3996 1 11 . 1 1 55 55 ASP H H 55 8.540 8.540 8.453 0.087 19003 3997 1 11 . 1 1 56 56 ASP N N 56 116.381 116.381 120.481 -4.100 19003 3998 1 11 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.613 -0.000 19003 3999 1 11 . 1 1 56 56 ASP C C 56 175.638 175.638 177.381 -1.743 19003 4000 1 11 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.010 -0.481 19003 4001 1 11 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.068 -0.015 19003 4002 1 11 . 1 1 56 56 ASP H H 56 7.469 7.469 7.910 -0.441 19003 4003 1 11 . 1 1 57 57 ASN N N 57 118.913 118.913 124.991 -6.078 19003 4004 1 11 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.296 0.035 19003 4005 1 11 . 1 1 57 57 ASN C C 57 176.963 176.963 176.740 0.223 19003 4006 1 11 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.402 0.952 19003 4007 1 11 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.045 1.251 19003 4008 1 11 . 1 1 57 57 ASN H H 57 9.033 9.033 8.938 0.095 19003 4009 1 11 . 1 1 58 58 ASP N N 58 117.610 117.610 120.440 -2.830 19003 4010 1 11 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.394 0.091 19003 4011 1 11 . 1 1 58 58 ASP C C 58 178.944 178.944 178.222 0.722 19003 4012 1 11 . 1 1 58 58 ASP CA C 58 57.621 57.621 56.809 0.812 19003 4013 1 11 . 1 1 58 58 ASP CB C 58 40.007 40.007 39.980 0.027 19003 4014 1 11 . 1 1 58 58 ASP H H 58 8.519 8.519 8.032 0.487 19003 4015 1 11 . 1 1 59 59 ALA N N 59 126.800 126.800 121.502 5.298 19003 4016 1 11 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.113 -0.135 19003 4017 1 11 . 1 1 59 59 ALA C C 59 178.974 178.974 179.437 -0.463 19003 4018 1 11 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.044 0.708 19003 4019 1 11 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.775 0.328 19003 4020 1 11 . 1 1 59 59 ALA H H 59 8.067 8.067 7.933 0.134 19003 4021 1 11 . 1 1 60 60 VAL N N 60 119.673 119.673 116.071 3.602 19003 4022 1 11 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.709 -0.120 19003 4023 1 11 . 1 1 60 60 VAL C C 60 179.934 179.934 177.604 2.330 19003 4024 1 11 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.002 0.743 19003 4025 1 11 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.610 0.511 19003 4026 1 11 . 1 1 61 61 LYS N N 61 119.673 119.673 120.869 -1.196 19003 4027 1 11 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.044 0.158 19003 4028 1 11 . 1 1 61 61 LYS C C 61 180.135 180.135 179.153 0.982 19003 4029 1 11 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.493 -0.056 19003 4030 1 11 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.090 0.267 19003 4031 1 11 . 1 1 61 61 LYS H H 61 8.383 8.383 8.568 -0.185 19003 4032 1 11 . 1 1 62 62 PHE N N 62 122.324 122.324 121.918 0.406 19003 4033 1 11 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.282 0.052 19003 4034 1 11 . 1 1 62 62 PHE C C 62 177.038 177.038 177.030 0.008 19003 4035 1 11 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.325 1.366 19003 4036 1 11 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.337 -0.129 19003 4037 1 11 . 1 1 62 62 PHE H H 62 8.510 8.510 7.851 0.659 19003 4038 1 11 . 1 1 63 63 ARG N N 63 119.741 119.741 120.040 -0.299 19003 4039 1 11 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.907 0.167 19003 4040 1 11 . 1 1 63 63 ARG C C 63 178.586 178.586 178.507 0.079 19003 4041 1 11 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.529 1.650 19003 4042 1 11 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.618 1.138 19003 4043 1 11 . 1 1 63 63 ARG H H 63 8.724 8.724 8.748 -0.024 19003 4044 1 11 . 1 1 64 64 SER N N 64 113.962 113.962 114.633 -0.671 19003 4045 1 11 . 1 1 64 64 SER HA H 64 4.324 4.324 4.175 0.149 19003 4046 1 11 . 1 1 64 64 SER C C 64 177.297 177.297 175.884 1.413 19003 4047 1 11 . 1 1 64 64 SER CA C 64 61.550 61.550 61.782 -0.232 19003 4048 1 11 . 1 1 64 64 SER CB C 64 62.316 62.316 63.080 -0.764 19003 4049 1 11 . 1 1 64 64 SER H H 64 8.224 8.224 8.583 -0.359 19003 4050 1 11 . 1 1 65 65 TRP N N 65 123.490 123.490 122.266 1.224 19003 4051 1 11 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.498 -0.345 19003 4052 1 11 . 1 1 65 65 TRP C C 65 178.318 178.318 177.904 0.414 19003 4053 1 11 . 1 1 65 65 TRP CA C 65 61.712 61.712 59.323 2.389 19003 4054 1 11 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.835 -2.549 19003 4055 1 11 . 1 1 65 65 TRP H H 65 8.054 8.054 7.596 0.458 19003 4056 1 11 . 1 1 66 66 TRP N N 66 122.351 122.351 121.158 1.193 19003 4057 1 11 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.134 -0.046 19003 4058 1 11 . 1 1 66 66 TRP C C 66 178.959 178.959 176.168 2.791 19003 4059 1 11 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.836 1.417 19003 4060 1 11 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.585 -0.075 19003 4061 1 11 . 1 1 66 66 TRP H H 66 9.333 9.333 8.812 0.521 19003 4062 1 11 . 1 1 67 67 ASN N N 67 115.529 115.529 115.650 -0.121 19003 4063 1 11 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.622 -0.246 19003 4064 1 11 . 1 1 67 67 ASN C C 67 176.591 176.591 175.538 1.053 19003 4065 1 11 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.687 0.621 19003 4066 1 11 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.611 -0.116 19003 4067 1 11 . 1 1 67 67 ASN H H 67 8.586 8.586 8.310 0.276 19003 4068 1 11 . 1 1 68 68 SER N N 68 114.677 114.677 113.903 0.774 19003 4069 1 11 . 1 1 68 68 SER HA H 68 4.332 4.332 4.419 -0.087 19003 4070 1 11 . 1 1 68 68 SER C C 68 174.581 174.581 174.311 0.270 19003 4071 1 11 . 1 1 68 68 SER CA C 68 59.578 59.578 59.677 -0.099 19003 4072 1 11 . 1 1 68 68 SER CB C 68 63.670 63.670 63.867 -0.197 19003 4073 1 11 . 1 1 68 68 SER H H 68 7.600 7.600 7.399 0.201 19003 4074 1 11 . 1 1 69 69 ARG N N 69 121.618 121.618 118.770 2.848 19003 4075 1 11 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.394 -0.515 19003 4076 1 11 . 1 1 69 69 ARG C C 69 176.963 176.963 177.228 -0.265 19003 4077 1 11 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.092 -0.005 19003 4078 1 11 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.304 -0.349 19003 4079 1 11 . 1 1 69 69 ARG H H 69 6.992 6.992 7.017 -0.025 19003 4080 1 11 . 1 1 70 70 THR N N 70 114.140 114.140 114.086 0.054 19003 4081 1 11 . 1 1 70 70 THR HA H 70 4.030 4.030 3.950 0.080 19003 4082 1 11 . 1 1 70 70 THR C C 70 174.506 174.506 174.829 -0.323 19003 4083 1 11 . 1 1 70 70 THR CA C 70 62.513 62.513 62.836 -0.323 19003 4084 1 11 . 1 1 70 70 THR CB C 70 69.378 69.378 69.231 0.147 19003 4085 1 11 . 1 1 71 71 LYS N N 71 123.490 123.490 116.173 7.317 19003 4086 1 11 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.843 0.344 19003 4087 1 11 . 1 1 71 71 LYS C C 71 176.531 176.531 175.395 1.136 19003 4088 1 11 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.800 -0.514 19003 4089 1 11 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.795 1.829 19003 4090 1 11 . 1 1 71 71 LYS H H 71 8.051 8.051 7.808 0.243 19003 4091 1 11 . 1 1 72 72 MET N N 72 121.388 121.388 111.400 9.988 19003 4092 1 11 . 1 1 72 72 MET HA H 72 4.376 4.376 4.328 0.048 19003 4093 1 11 . 1 1 72 72 MET C C 72 176.115 176.115 175.853 0.262 19003 4094 1 11 . 1 1 72 72 MET CA C 72 55.397 55.397 57.458 -2.061 19003 4095 1 11 . 1 1 72 72 MET CB C 72 32.446 32.446 32.208 0.238 19003 4096 1 11 . 1 1 72 72 MET H H 72 8.305 8.305 7.227 1.078 19003 4097 1 11 . 1 1 73 73 ALA N N 73 124.890 124.890 121.779 3.111 19003 4098 1 11 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.881 -0.652 19003 4099 1 11 . 1 1 73 73 ALA C C 73 177.499 177.499 176.786 0.713 19003 4100 1 11 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.621 1.018 19003 4101 1 11 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.209 -1.106 19003 4102 1 11 . 1 1 73 73 ALA H H 73 8.272 8.272 8.431 -0.159 19003 4103 1 11 . 1 1 74 74 ASN N N 74 117.940 117.940 123.521 -5.581 19003 4104 1 11 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.409 0.221 19003 4105 1 11 . 1 1 74 74 ASN C C 74 174.893 174.893 174.663 0.230 19003 4106 1 11 . 1 1 74 74 ASN CA C 74 53.084 53.084 54.309 -1.225 19003 4107 1 11 . 1 1 74 74 ASN CB C 74 39.118 39.118 36.568 2.550 19003 4108 1 11 . 1 1 74 74 ASN H H 74 8.408 8.408 8.976 -0.568 19003 4109 1 11 . 1 1 75 75 ASP N N 75 120.439 120.439 113.176 7.263 19003 4110 1 11 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.135 0.407 19003 4111 1 11 . 1 1 75 75 ASP C C 75 175.861 175.861 175.550 0.311 19003 4112 1 11 . 1 1 75 75 ASP CA C 75 54.240 54.240 55.150 -0.910 19003 4113 1 11 . 1 1 75 75 ASP CB C 75 41.075 41.075 38.918 2.157 19003 4114 1 11 . 1 1 75 75 ASP H H 75 8.298 8.298 9.024 -0.726 19003 4115 1 12 . 1 1 11 11 THR N N 11 114.405 114.405 113.425 0.980 19003 4116 1 12 . 1 1 11 11 THR HA H 11 4.246 4.246 4.189 0.057 19003 4117 1 12 . 1 1 11 11 THR C C 11 174.586 174.586 173.329 1.257 19003 4118 1 12 . 1 1 11 11 THR CA C 11 62.246 62.246 60.316 1.930 19003 4119 1 12 . 1 1 11 11 THR CB C 11 69.310 69.310 70.124 -0.814 19003 4120 1 12 . 1 1 12 12 TYR N N 12 123.008 123.008 119.167 3.841 19003 4121 1 12 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.981 -0.586 19003 4122 1 12 . 1 1 12 12 TYR C C 12 176.070 176.070 174.476 1.594 19003 4123 1 12 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.764 1.746 19003 4124 1 12 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.296 -1.712 19003 4125 1 12 . 1 1 12 12 TYR H H 12 8.274 8.274 7.780 0.494 19003 4126 1 12 . 1 1 13 13 ARG N N 13 123.852 123.852 120.415 3.437 19003 4127 1 12 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.362 -0.112 19003 4128 1 12 . 1 1 13 13 ARG C C 13 176.829 176.829 175.286 1.543 19003 4129 1 12 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.997 0.378 19003 4130 1 12 . 1 1 13 13 ARG CB C 13 30.489 30.489 33.252 -2.763 19003 4131 1 12 . 1 1 13 13 ARG H H 13 8.371 8.371 8.581 -0.210 19003 4132 1 12 . 1 1 14 14 GLY N N 14 108.394 108.394 113.820 -5.426 19003 4133 1 12 . 1 1 14 14 GLY C C 14 173.911 173.911 174.397 -0.486 19003 4134 1 12 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.323 -0.156 19003 4135 1 12 . 1 1 14 14 GLY H H 14 7.646 7.646 8.240 -0.594 19003 4136 1 12 . 1 1 15 15 ARG N N 15 121.238 121.238 118.239 2.999 19003 4137 1 12 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.334 -0.068 19003 4138 1 12 . 1 1 15 15 ARG C C 15 177.053 177.053 176.467 0.586 19003 4139 1 12 . 1 1 15 15 ARG CA C 15 56.286 56.286 55.612 0.674 19003 4140 1 12 . 1 1 15 15 ARG CB C 15 30.578 30.578 30.054 0.524 19003 4141 1 12 . 1 1 15 15 ARG H H 15 8.568 8.568 9.157 -0.589 19003 4142 1 12 . 1 1 16 16 GLY N N 16 110.085 110.085 109.732 0.353 19003 4143 1 12 . 1 1 16 16 GLY C C 16 173.911 173.911 175.170 -1.259 19003 4144 1 12 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.638 -0.115 19003 4145 1 12 . 1 1 16 16 GLY H H 16 8.525 8.525 8.549 -0.024 19003 4146 1 12 . 1 1 17 17 VAL N N 17 119.300 119.300 116.067 3.233 19003 4147 1 12 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.877 0.172 19003 4148 1 12 . 1 1 17 17 VAL C C 17 175.147 175.147 175.368 -0.221 19003 4149 1 12 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.013 -1.123 19003 4150 1 12 . 1 1 17 17 VAL CB C 17 32.713 32.713 31.888 0.825 19003 4151 1 12 . 1 1 18 18 ALA N N 18 128.131 128.131 126.749 1.382 19003 4152 1 12 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.144 0.190 19003 4153 1 12 . 1 1 18 18 ALA C C 18 177.082 177.082 176.919 0.163 19003 4154 1 12 . 1 1 18 18 ALA CA C 18 52.016 52.016 52.255 -0.239 19003 4155 1 12 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.997 0.017 19003 4156 1 12 . 1 1 18 18 ALA H H 18 8.367 8.367 8.439 -0.072 19003 4157 1 12 . 1 1 19 19 LEU N N 19 122.503 122.503 117.410 5.093 19003 4158 1 12 . 1 1 19 19 LEU HA H 19 4.638 4.638 3.965 0.673 19003 4159 1 12 . 1 1 19 19 LEU C C 19 177.058 177.058 176.505 0.553 19003 4160 1 12 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.818 -1.222 19003 4161 1 12 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.866 1.966 19003 4162 1 12 . 1 1 19 19 LEU H H 19 8.160 8.160 7.538 0.622 19003 4163 1 12 . 1 1 20 20 THR N N 20 115.199 115.199 114.305 0.894 19003 4164 1 12 . 1 1 20 20 THR HA H 20 4.524 4.524 4.271 0.253 19003 4165 1 12 . 1 1 20 20 THR C C 20 177.950 177.950 174.998 2.952 19003 4166 1 12 . 1 1 20 20 THR CA C 20 61.001 61.001 62.314 -1.313 19003 4167 1 12 . 1 1 20 20 THR CB C 20 70.697 70.697 69.774 0.923 19003 4168 1 12 . 1 1 21 21 ASP N N 21 121.413 121.413 120.384 1.029 19003 4169 1 12 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.440 0.076 19003 4170 1 12 . 1 1 21 21 ASP C C 21 178.378 178.378 177.864 0.514 19003 4171 1 12 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.831 -0.033 19003 4172 1 12 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.339 -1.421 19003 4173 1 12 . 1 1 21 21 ASP H H 21 8.962 8.962 8.950 0.012 19003 4174 1 12 . 1 1 22 22 ASP N N 22 117.981 117.981 119.574 -1.593 19003 4175 1 12 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.476 0.080 19003 4176 1 12 . 1 1 22 22 ASP C C 22 178.869 178.869 178.514 0.355 19003 4177 1 12 . 1 1 22 22 ASP CA C 22 57.709 57.709 58.201 -0.492 19003 4178 1 12 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.957 -0.683 19003 4179 1 12 . 1 1 22 22 ASP H H 22 8.467 8.467 8.715 -0.248 19003 4180 1 12 . 1 1 23 23 GLU N N 23 120.900 120.900 119.158 1.742 19003 4181 1 12 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.149 0.029 19003 4182 1 12 . 1 1 23 23 GLU C C 23 178.452 178.452 178.500 -0.048 19003 4183 1 12 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.733 -0.066 19003 4184 1 12 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.409 1.279 19003 4185 1 12 . 1 1 23 23 GLU H H 23 7.933 7.933 8.970 -1.037 19003 4186 1 12 . 1 1 24 24 TYR N N 24 119.764 119.764 119.624 0.140 19003 4187 1 12 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.955 0.368 19003 4188 1 12 . 1 1 24 24 TYR C C 24 177.589 177.589 177.410 0.179 19003 4189 1 12 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.995 0.503 19003 4190 1 12 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.377 0.102 19003 4191 1 12 . 1 1 24 24 TYR H H 24 8.539 8.539 7.800 0.739 19003 4192 1 12 . 1 1 25 25 ASP N N 25 119.296 119.296 118.650 0.646 19003 4193 1 12 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.447 0.029 19003 4194 1 12 . 1 1 25 25 ASP C C 25 179.078 179.078 178.911 0.167 19003 4195 1 12 . 1 1 25 25 ASP CA C 25 57.532 57.532 58.186 -0.654 19003 4196 1 12 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.371 -0.190 19003 4197 1 12 . 1 1 25 25 ASP H H 25 8.369 8.369 8.218 0.151 19003 4198 1 12 . 1 1 26 26 GLU N N 26 121.770 121.770 119.352 2.418 19003 4199 1 12 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.295 -0.090 19003 4200 1 12 . 1 1 26 26 GLU C C 26 177.514 177.514 178.708 -1.194 19003 4201 1 12 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.500 0.900 19003 4202 1 12 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.368 1.409 19003 4203 1 12 . 1 1 26 26 GLU H H 26 8.356 8.356 8.553 -0.197 19003 4204 1 12 . 1 1 27 27 TRP N N 27 122.248 122.248 122.034 0.214 19003 4205 1 12 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.369 -0.191 19003 4206 1 12 . 1 1 27 27 TRP C C 27 177.873 177.873 177.431 0.442 19003 4207 1 12 . 1 1 27 27 TRP CA C 27 59.885 59.885 61.016 -1.131 19003 4208 1 12 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.585 1.993 19003 4209 1 12 . 1 1 27 27 TRP H H 27 8.314 8.314 8.255 0.059 19003 4210 1 12 . 1 1 28 28 ARG N N 28 117.274 117.274 117.739 -0.465 19003 4211 1 12 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.063 0.007 19003 4212 1 12 . 1 1 28 28 ARG C C 28 179.775 179.775 178.476 1.299 19003 4213 1 12 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.506 -1.085 19003 4214 1 12 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.488 0.246 19003 4215 1 12 . 1 1 28 28 ARG H H 28 7.974 7.974 7.493 0.481 19003 4216 1 12 . 1 1 29 29 GLU N N 29 121.770 121.770 119.610 2.160 19003 4217 1 12 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.091 -0.042 19003 4218 1 12 . 1 1 29 29 GLU C C 29 178.720 178.720 178.305 0.415 19003 4219 1 12 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.140 -0.185 19003 4220 1 12 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.776 -0.266 19003 4221 1 12 . 1 1 29 29 GLU H H 29 8.591 8.591 7.649 0.942 19003 4222 1 12 . 1 1 30 30 HIS N N 30 121.863 121.863 119.758 2.105 19003 4223 1 12 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.367 -1.232 19003 4224 1 12 . 1 1 30 30 HIS C C 30 176.308 176.308 177.690 -1.382 19003 4225 1 12 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.360 0.893 19003 4226 1 12 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.071 -2.202 19003 4227 1 12 . 1 1 30 30 HIS H H 30 8.723 8.723 8.666 0.057 19003 4228 1 12 . 1 1 31 31 ASN N N 31 117.257 117.257 117.079 0.178 19003 4229 1 12 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.072 -0.016 19003 4230 1 12 . 1 1 31 31 ASN C C 31 178.035 178.035 176.979 1.056 19003 4231 1 12 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.266 -1.087 19003 4232 1 12 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.124 -1.302 19003 4233 1 12 . 1 1 31 31 ASN H H 31 7.405 7.405 8.043 -0.638 19003 4234 1 12 . 1 1 32 32 ALA N N 32 120.650 120.650 122.353 -1.703 19003 4235 1 12 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.997 0.068 19003 4236 1 12 . 1 1 32 32 ALA C C 32 180.463 180.463 180.253 0.210 19003 4237 1 12 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.859 -0.174 19003 4238 1 12 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.352 -0.139 19003 4239 1 12 . 1 1 32 32 ALA H H 32 7.905 7.905 7.272 0.633 19003 4240 1 12 . 1 1 33 33 SER N N 33 112.890 112.890 114.785 -1.895 19003 4241 1 12 . 1 1 33 33 SER HA H 33 4.205 4.205 4.319 -0.114 19003 4242 1 12 . 1 1 33 33 SER CA C 33 61.074 61.074 60.660 0.414 19003 4243 1 12 . 1 1 33 33 SER CB C 33 63.834 63.834 63.662 0.172 19003 4244 1 12 . 1 1 33 33 SER H H 33 8.569 8.569 8.682 -0.113 19003 4245 1 12 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.218 -0.057 19003 4246 1 12 . 1 1 34 34 ARG C C 34 174.641 174.641 175.399 -0.758 19003 4247 1 12 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.695 1.324 19003 4248 1 12 . 1 1 35 35 LYS N N 35 117.509 117.509 115.974 1.535 19003 4249 1 12 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.873 0.015 19003 4250 1 12 . 1 1 35 35 LYS C C 35 175.501 175.501 176.079 -0.578 19003 4251 1 12 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.173 -0.086 19003 4252 1 12 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.715 -1.005 19003 4253 1 12 . 1 1 35 35 LYS H H 35 7.492 7.492 7.754 -0.262 19003 4254 1 12 . 1 1 36 36 LEU N N 36 118.727 118.727 115.998 2.729 19003 4255 1 12 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.537 0.058 19003 4256 1 12 . 1 1 36 36 LEU C C 36 175.281 175.281 176.147 -0.866 19003 4257 1 12 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.677 0.114 19003 4258 1 12 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.449 2.925 19003 4259 1 12 . 1 1 36 36 LEU H H 36 8.165 8.165 7.082 1.083 19003 4260 1 12 . 1 1 37 37 ASP N N 37 121.035 121.035 118.797 2.238 19003 4261 1 12 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.811 -0.071 19003 4262 1 12 . 1 1 37 37 ASP C C 37 175.921 175.921 176.000 -0.079 19003 4263 1 12 . 1 1 37 37 ASP CA C 37 52.791 52.791 52.933 -0.142 19003 4264 1 12 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.050 0.249 19003 4265 1 12 . 1 1 37 37 ASP H H 37 8.403 8.403 8.175 0.228 19003 4266 1 12 . 1 1 38 38 LEU N N 38 119.070 119.070 116.318 2.752 19003 4267 1 12 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.707 -0.046 19003 4268 1 12 . 1 1 38 38 LEU C C 38 180.209 180.209 176.360 3.849 19003 4269 1 12 . 1 1 38 38 LEU CA C 38 55.308 55.308 54.912 0.396 19003 4270 1 12 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.073 0.137 19003 4271 1 12 . 1 1 38 38 LEU H H 38 7.515 7.515 7.518 -0.003 19003 4272 1 12 . 1 1 39 39 SER N N 39 122.093 122.093 116.855 5.238 19003 4273 1 12 . 1 1 39 39 SER HA H 39 4.663 4.663 4.807 -0.144 19003 4274 1 12 . 1 1 39 39 SER C C 39 174.730 174.730 175.135 -0.405 19003 4275 1 12 . 1 1 39 39 SER CA C 39 57.343 57.343 57.622 -0.279 19003 4276 1 12 . 1 1 39 39 SER CB C 39 64.879 64.879 64.508 0.371 19003 4277 1 12 . 1 1 39 39 SER H H 39 9.706 9.706 8.525 1.181 19003 4278 1 12 . 1 1 40 40 VAL N N 40 122.917 122.917 123.209 -0.292 19003 4279 1 12 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.115 0.553 19003 4280 1 12 . 1 1 40 40 VAL C C 40 177.187 177.187 177.063 0.124 19003 4281 1 12 . 1 1 40 40 VAL CA C 40 66.372 66.372 64.920 1.452 19003 4282 1 12 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.824 0.029 19003 4283 1 12 . 1 1 41 41 GLU N N 41 118.661 118.661 119.584 -0.923 19003 4284 1 12 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.795 0.020 19003 4285 1 12 . 1 1 41 41 GLU C C 41 179.108 179.108 178.455 0.653 19003 4286 1 12 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.416 0.318 19003 4287 1 12 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.420 0.468 19003 4288 1 12 . 1 1 41 41 GLU H H 41 8.725 8.725 8.475 0.250 19003 4289 1 12 . 1 1 42 42 ASP N N 42 120.291 120.291 119.424 0.867 19003 4290 1 12 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.338 0.086 19003 4291 1 12 . 1 1 42 42 ASP C C 42 179.703 179.703 178.222 1.481 19003 4292 1 12 . 1 1 42 42 ASP CA C 42 57.443 57.443 58.061 -0.618 19003 4293 1 12 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.203 -0.196 19003 4294 1 12 . 1 1 42 42 ASP H H 42 7.979 7.979 8.291 -0.312 19003 4295 1 12 . 1 1 43 43 PHE N N 43 123.091 123.091 121.058 2.033 19003 4296 1 12 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.049 -0.039 19003 4297 1 12 . 1 1 43 43 PHE C C 43 175.459 175.459 176.449 -0.990 19003 4298 1 12 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.066 0.082 19003 4299 1 12 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.160 0.574 19003 4300 1 12 . 1 1 43 43 PHE H H 43 8.656 8.656 7.608 1.048 19003 4301 1 12 . 1 1 44 44 LEU N N 44 119.965 119.965 118.503 1.462 19003 4302 1 12 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.812 -0.382 19003 4303 1 12 . 1 1 44 44 LEU C C 44 180.537 180.537 179.027 1.510 19003 4304 1 12 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.705 0.011 19003 4305 1 12 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.685 0.539 19003 4306 1 12 . 1 1 44 44 LEU H H 44 8.702 8.702 8.708 -0.006 19003 4307 1 12 . 1 1 45 45 MET N N 45 118.100 118.100 118.406 -0.306 19003 4308 1 12 . 1 1 45 45 MET HA H 45 4.117 4.117 4.064 0.053 19003 4309 1 12 . 1 1 45 45 MET C C 45 178.274 178.274 178.750 -0.476 19003 4310 1 12 . 1 1 45 45 MET CA C 45 58.421 58.421 59.314 -0.893 19003 4311 1 12 . 1 1 45 45 MET CB C 45 32.268 32.268 32.713 -0.445 19003 4312 1 12 . 1 1 45 45 MET H H 45 7.829 7.829 7.849 -0.020 19003 4313 1 12 . 1 1 46 46 LEU N N 46 123.359 123.359 119.365 3.994 19003 4314 1 12 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.717 0.125 19003 4315 1 12 . 1 1 46 46 LEU C C 46 176.531 176.531 179.121 -2.590 19003 4316 1 12 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.579 0.039 19003 4317 1 12 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.378 1.415 19003 4318 1 12 . 1 1 46 46 LEU H H 46 7.659 7.659 7.581 0.078 19003 4319 1 12 . 1 1 47 47 ARG N N 47 118.271 118.271 117.959 0.312 19003 4320 1 12 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.921 -1.170 19003 4321 1 12 . 1 1 47 47 ARG C C 47 178.363 178.363 178.289 0.074 19003 4322 1 12 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.870 -0.866 19003 4323 1 12 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.483 0.624 19003 4324 1 12 . 1 1 47 47 ARG H H 47 7.955 7.955 7.555 0.400 19003 4325 1 12 . 1 1 48 48 HIS N N 48 117.915 117.915 119.862 -1.947 19003 4326 1 12 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.100 0.125 19003 4327 1 12 . 1 1 48 48 HIS C C 48 177.097 177.097 177.819 -0.722 19003 4328 1 12 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.353 -0.042 19003 4329 1 12 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.804 0.774 19003 4330 1 12 . 1 1 48 48 HIS H H 48 7.609 7.609 8.176 -0.567 19003 4331 1 12 . 1 1 49 49 ARG N N 49 116.831 116.831 118.167 -1.336 19003 4332 1 12 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.925 0.053 19003 4333 1 12 . 1 1 49 49 ARG C C 49 179.242 179.242 178.751 0.491 19003 4334 1 12 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.345 -0.286 19003 4335 1 12 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.055 -1.365 19003 4336 1 12 . 1 1 49 49 ARG H H 49 7.980 7.980 8.570 -0.590 19003 4337 1 12 . 1 1 50 50 ALA N N 50 122.916 122.916 122.442 0.474 19003 4338 1 12 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.147 -0.167 19003 4339 1 12 . 1 1 50 50 ALA C C 50 181.207 181.207 179.466 1.741 19003 4340 1 12 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.806 0.235 19003 4341 1 12 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.494 0.699 19003 4342 1 12 . 1 1 50 50 ALA H H 50 8.734 8.734 7.699 1.035 19003 4343 1 12 . 1 1 51 51 ALA N N 51 122.005 122.005 120.628 1.377 19003 4344 1 12 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.078 0.035 19003 4345 1 12 . 1 1 51 51 ALA C C 51 179.033 179.033 179.501 -0.468 19003 4346 1 12 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.429 0.153 19003 4347 1 12 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.993 -0.974 19003 4348 1 12 . 1 1 51 51 ALA H H 51 7.861 7.861 7.997 -0.136 19003 4349 1 12 . 1 1 52 52 LEU N N 52 117.205 117.205 117.292 -0.087 19003 4350 1 12 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.326 -0.068 19003 4351 1 12 . 1 1 52 52 LEU C C 52 177.842 177.842 178.464 -0.622 19003 4352 1 12 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.554 -1.931 19003 4353 1 12 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.575 -0.966 19003 4354 1 12 . 1 1 52 52 LEU H H 52 7.277 7.277 8.620 -1.343 19003 4355 1 12 . 1 1 53 53 GLY N N 53 105.824 105.824 102.177 3.647 19003 4356 1 12 . 1 1 53 53 GLY C C 53 174.745 174.745 173.269 1.476 19003 4357 1 12 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.987 0.535 19003 4358 1 12 . 1 1 53 53 GLY H H 53 7.616 7.616 7.764 -0.148 19003 4359 1 12 . 1 1 54 54 ALA N N 54 122.086 122.086 123.364 -1.278 19003 4360 1 12 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.543 -0.316 19003 4361 1 12 . 1 1 54 54 ALA C C 54 178.035 178.035 175.940 2.095 19003 4362 1 12 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.659 1.781 19003 4363 1 12 . 1 1 54 54 ALA CB C 54 19.725 19.725 20.412 -0.687 19003 4364 1 12 . 1 1 54 54 ALA H H 54 7.637 7.637 7.763 -0.126 19003 4365 1 12 . 1 1 55 55 ASP N N 55 118.303 118.303 121.558 -3.255 19003 4366 1 12 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.736 0.010 19003 4367 1 12 . 1 1 55 55 ASP C C 55 176.129 176.129 174.989 1.140 19003 4368 1 12 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.723 -0.728 19003 4369 1 12 . 1 1 55 55 ASP CB C 55 41.342 41.342 41.707 -0.365 19003 4370 1 12 . 1 1 55 55 ASP H H 55 8.540 8.540 8.484 0.056 19003 4371 1 12 . 1 1 56 56 ASP N N 56 116.381 116.381 120.149 -3.768 19003 4372 1 12 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.590 0.023 19003 4373 1 12 . 1 1 56 56 ASP C C 56 175.638 175.638 177.438 -1.800 19003 4374 1 12 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.042 -0.513 19003 4375 1 12 . 1 1 56 56 ASP CB C 56 42.053 42.053 41.916 0.137 19003 4376 1 12 . 1 1 56 56 ASP H H 56 7.469 7.469 7.748 -0.279 19003 4377 1 12 . 1 1 57 57 ASN N N 57 118.913 118.913 125.497 -6.584 19003 4378 1 12 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.308 0.023 19003 4379 1 12 . 1 1 57 57 ASN C C 57 176.963 176.963 176.730 0.233 19003 4380 1 12 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.398 0.956 19003 4381 1 12 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.093 1.203 19003 4382 1 12 . 1 1 57 57 ASN H H 57 9.033 9.033 8.936 0.097 19003 4383 1 12 . 1 1 58 58 ASP N N 58 117.610 117.610 120.442 -2.832 19003 4384 1 12 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.429 0.056 19003 4385 1 12 . 1 1 58 58 ASP C C 58 178.944 178.944 178.241 0.703 19003 4386 1 12 . 1 1 58 58 ASP CA C 58 57.621 57.621 56.851 0.770 19003 4387 1 12 . 1 1 58 58 ASP CB C 58 40.007 40.007 39.869 0.138 19003 4388 1 12 . 1 1 58 58 ASP H H 58 8.519 8.519 8.029 0.490 19003 4389 1 12 . 1 1 59 59 ALA N N 59 126.800 126.800 121.948 4.852 19003 4390 1 12 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.123 -0.145 19003 4391 1 12 . 1 1 59 59 ALA C C 59 178.974 178.974 179.521 -0.547 19003 4392 1 12 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.041 0.711 19003 4393 1 12 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.694 0.409 19003 4394 1 12 . 1 1 59 59 ALA H H 59 8.067 8.067 7.919 0.148 19003 4395 1 12 . 1 1 60 60 VAL N N 60 119.673 119.673 116.932 2.741 19003 4396 1 12 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.793 -0.204 19003 4397 1 12 . 1 1 60 60 VAL C C 60 179.934 179.934 177.509 2.425 19003 4398 1 12 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.799 0.946 19003 4399 1 12 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.240 0.881 19003 4400 1 12 . 1 1 61 61 LYS N N 61 119.673 119.673 121.187 -1.514 19003 4401 1 12 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.090 0.112 19003 4402 1 12 . 1 1 61 61 LYS C C 61 180.135 180.135 179.066 1.069 19003 4403 1 12 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.319 0.118 19003 4404 1 12 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.103 0.254 19003 4405 1 12 . 1 1 61 61 LYS H H 61 8.383 8.383 8.528 -0.145 19003 4406 1 12 . 1 1 62 62 PHE N N 62 122.324 122.324 122.343 -0.019 19003 4407 1 12 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.258 0.076 19003 4408 1 12 . 1 1 62 62 PHE C C 62 177.038 177.038 176.941 0.097 19003 4409 1 12 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.369 1.322 19003 4410 1 12 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.312 -0.105 19003 4411 1 12 . 1 1 62 62 PHE H H 62 8.510 8.510 8.095 0.415 19003 4412 1 12 . 1 1 63 63 ARG N N 63 119.741 119.741 120.061 -0.320 19003 4413 1 12 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.892 0.182 19003 4414 1 12 . 1 1 63 63 ARG C C 63 178.586 178.586 178.427 0.159 19003 4415 1 12 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.269 1.910 19003 4416 1 12 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.523 1.233 19003 4417 1 12 . 1 1 63 63 ARG H H 63 8.724 8.724 8.800 -0.076 19003 4418 1 12 . 1 1 64 64 SER N N 64 113.962 113.962 114.556 -0.594 19003 4419 1 12 . 1 1 64 64 SER HA H 64 4.324 4.324 4.162 0.162 19003 4420 1 12 . 1 1 64 64 SER C C 64 177.297 177.297 176.125 1.172 19003 4421 1 12 . 1 1 64 64 SER CA C 64 61.550 61.550 61.781 -0.231 19003 4422 1 12 . 1 1 64 64 SER CB C 64 62.316 62.316 62.941 -0.625 19003 4423 1 12 . 1 1 64 64 SER H H 64 8.224 8.224 8.512 -0.288 19003 4424 1 12 . 1 1 65 65 TRP N N 65 123.490 123.490 120.564 2.926 19003 4425 1 12 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.555 -0.402 19003 4426 1 12 . 1 1 65 65 TRP C C 65 178.318 178.318 177.728 0.590 19003 4427 1 12 . 1 1 65 65 TRP CA C 65 61.712 61.712 59.123 2.588 19003 4428 1 12 . 1 1 65 65 TRP CB C 65 27.287 27.287 30.176 -2.889 19003 4429 1 12 . 1 1 65 65 TRP H H 65 8.054 8.054 7.525 0.529 19003 4430 1 12 . 1 1 66 66 TRP N N 66 122.351 122.351 119.609 2.742 19003 4431 1 12 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.236 -0.148 19003 4432 1 12 . 1 1 66 66 TRP C C 66 178.959 178.959 176.846 2.113 19003 4433 1 12 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.480 1.773 19003 4434 1 12 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.881 -0.371 19003 4435 1 12 . 1 1 66 66 TRP H H 66 9.333 9.333 8.664 0.669 19003 4436 1 12 . 1 1 67 67 ASN N N 67 115.529 115.529 115.923 -0.394 19003 4437 1 12 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.583 -0.207 19003 4438 1 12 . 1 1 67 67 ASN C C 67 176.591 176.591 175.338 1.253 19003 4439 1 12 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.069 0.239 19003 4440 1 12 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.504 -0.009 19003 4441 1 12 . 1 1 67 67 ASN H H 67 8.586 8.586 8.444 0.142 19003 4442 1 12 . 1 1 68 68 SER N N 68 114.677 114.677 113.145 1.532 19003 4443 1 12 . 1 1 68 68 SER HA H 68 4.332 4.332 4.361 -0.029 19003 4444 1 12 . 1 1 68 68 SER C C 68 174.581 174.581 174.771 -0.190 19003 4445 1 12 . 1 1 68 68 SER CA C 68 59.578 59.578 59.212 0.366 19003 4446 1 12 . 1 1 68 68 SER CB C 68 63.670 63.670 63.699 -0.029 19003 4447 1 12 . 1 1 68 68 SER H H 68 7.600 7.600 7.373 0.227 19003 4448 1 12 . 1 1 69 69 ARG N N 69 121.618 121.618 118.709 2.909 19003 4449 1 12 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.399 -0.520 19003 4450 1 12 . 1 1 69 69 ARG C C 69 176.963 176.963 177.109 -0.146 19003 4451 1 12 . 1 1 69 69 ARG CA C 69 57.087 57.087 56.799 0.288 19003 4452 1 12 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.932 -0.977 19003 4453 1 12 . 1 1 69 69 ARG H H 69 6.992 6.992 7.012 -0.020 19003 4454 1 12 . 1 1 70 70 THR N N 70 114.140 114.140 113.920 0.220 19003 4455 1 12 . 1 1 70 70 THR HA H 70 4.030 4.030 4.047 -0.017 19003 4456 1 12 . 1 1 70 70 THR C C 70 174.506 174.506 174.421 0.085 19003 4457 1 12 . 1 1 70 70 THR CA C 70 62.513 62.513 62.344 0.169 19003 4458 1 12 . 1 1 70 70 THR CB C 70 69.378 69.378 69.773 -0.395 19003 4459 1 12 . 1 1 71 71 LYS N N 71 123.490 123.490 117.432 6.058 19003 4460 1 12 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.884 0.303 19003 4461 1 12 . 1 1 71 71 LYS C C 71 176.531 176.531 175.631 0.900 19003 4462 1 12 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.791 -0.505 19003 4463 1 12 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.785 1.839 19003 4464 1 12 . 1 1 71 71 LYS H H 71 8.051 8.051 7.868 0.183 19003 4465 1 12 . 1 1 72 72 MET N N 72 121.388 121.388 111.611 9.777 19003 4466 1 12 . 1 1 72 72 MET HA H 72 4.376 4.376 4.433 -0.057 19003 4467 1 12 . 1 1 72 72 MET C C 72 176.115 176.115 175.468 0.647 19003 4468 1 12 . 1 1 72 72 MET CA C 72 55.397 55.397 57.663 -2.267 19003 4469 1 12 . 1 1 72 72 MET CB C 72 32.446 32.446 32.179 0.267 19003 4470 1 12 . 1 1 72 72 MET H H 72 8.305 8.305 7.391 0.914 19003 4471 1 12 . 1 1 73 73 ALA N N 73 124.890 124.890 122.628 2.262 19003 4472 1 12 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.977 -0.748 19003 4473 1 12 . 1 1 73 73 ALA C C 73 177.499 177.499 177.844 -0.345 19003 4474 1 12 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.121 1.518 19003 4475 1 12 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.292 -1.189 19003 4476 1 12 . 1 1 73 73 ALA H H 73 8.272 8.272 9.035 -0.763 19003 4477 1 12 . 1 1 74 74 ASN N N 74 117.940 117.940 120.534 -2.594 19003 4478 1 12 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.342 0.288 19003 4479 1 12 . 1 1 74 74 ASN C C 74 174.893 174.893 174.822 0.071 19003 4480 1 12 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.878 -3.794 19003 4481 1 12 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.409 0.709 19003 4482 1 12 . 1 1 74 74 ASN H H 74 8.408 8.408 9.192 -0.784 19003 4483 1 12 . 1 1 75 75 ASP N N 75 120.439 120.439 114.425 6.014 19003 4484 1 12 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.682 -0.140 19003 4485 1 12 . 1 1 75 75 ASP C C 75 175.861 175.861 174.882 0.979 19003 4486 1 12 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.228 1.012 19003 4487 1 12 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.083 0.992 19003 4488 1 12 . 1 1 75 75 ASP H H 75 8.298 8.298 8.150 0.148 19003 4489 1 13 . 1 1 11 11 THR N N 11 114.405 114.405 114.264 0.141 19003 4490 1 13 . 1 1 11 11 THR HA H 11 4.246 4.246 4.281 -0.035 19003 4491 1 13 . 1 1 11 11 THR C C 11 174.586 174.586 172.870 1.716 19003 4492 1 13 . 1 1 11 11 THR CA C 11 62.246 62.246 60.000 2.246 19003 4493 1 13 . 1 1 11 11 THR CB C 11 69.310 69.310 70.587 -1.277 19003 4494 1 13 . 1 1 12 12 TYR N N 12 123.008 123.008 119.749 3.259 19003 4495 1 13 . 1 1 12 12 TYR HA H 12 4.395 4.395 5.038 -0.643 19003 4496 1 13 . 1 1 12 12 TYR C C 12 176.070 176.070 174.653 1.417 19003 4497 1 13 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.466 2.044 19003 4498 1 13 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.568 -1.984 19003 4499 1 13 . 1 1 12 12 TYR H H 12 8.274 8.274 8.243 0.031 19003 4500 1 13 . 1 1 13 13 ARG N N 13 123.852 123.852 119.820 4.032 19003 4501 1 13 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.334 -0.084 19003 4502 1 13 . 1 1 13 13 ARG C C 13 176.829 176.829 174.996 1.833 19003 4503 1 13 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.927 0.448 19003 4504 1 13 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.908 -2.419 19003 4505 1 13 . 1 1 13 13 ARG H H 13 8.371 8.371 8.524 -0.153 19003 4506 1 13 . 1 1 14 14 GLY N N 14 108.394 108.394 113.561 -5.167 19003 4507 1 13 . 1 1 14 14 GLY C C 14 173.911 173.911 174.446 -0.535 19003 4508 1 13 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.059 0.108 19003 4509 1 13 . 1 1 14 14 GLY H H 14 7.646 7.646 8.553 -0.907 19003 4510 1 13 . 1 1 15 15 ARG N N 15 121.238 121.238 124.063 -2.825 19003 4511 1 13 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.263 0.003 19003 4512 1 13 . 1 1 15 15 ARG C C 15 177.053 177.053 176.366 0.687 19003 4513 1 13 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.011 2.276 19003 4514 1 13 . 1 1 15 15 ARG CB C 15 30.578 30.578 27.823 2.755 19003 4515 1 13 . 1 1 15 15 ARG H H 15 8.568 8.568 8.391 0.177 19003 4516 1 13 . 1 1 16 16 GLY N N 16 110.085 110.085 108.605 1.480 19003 4517 1 13 . 1 1 16 16 GLY C C 16 173.911 173.911 174.996 -1.085 19003 4518 1 13 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.408 0.115 19003 4519 1 13 . 1 1 16 16 GLY H H 16 8.525 8.525 7.947 0.578 19003 4520 1 13 . 1 1 17 17 VAL N N 17 119.300 119.300 113.825 5.475 19003 4521 1 13 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.959 0.090 19003 4522 1 13 . 1 1 17 17 VAL C C 17 175.147 175.147 175.736 -0.589 19003 4523 1 13 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.860 -0.970 19003 4524 1 13 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.119 0.594 19003 4525 1 13 . 1 1 18 18 ALA N N 18 128.131 128.131 128.555 -0.424 19003 4526 1 13 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.171 0.163 19003 4527 1 13 . 1 1 18 18 ALA C C 18 177.082 177.082 176.914 0.168 19003 4528 1 13 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.753 0.263 19003 4529 1 13 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.067 -0.053 19003 4530 1 13 . 1 1 18 18 ALA H H 18 8.367 8.367 8.391 -0.024 19003 4531 1 13 . 1 1 19 19 LEU N N 19 122.503 122.503 117.174 5.329 19003 4532 1 13 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.106 0.532 19003 4533 1 13 . 1 1 19 19 LEU C C 19 177.058 177.058 176.366 0.692 19003 4534 1 13 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.669 -1.073 19003 4535 1 13 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.071 1.762 19003 4536 1 13 . 1 1 19 19 LEU H H 19 8.160 8.160 7.684 0.476 19003 4537 1 13 . 1 1 20 20 THR N N 20 115.199 115.199 114.489 0.710 19003 4538 1 13 . 1 1 20 20 THR HA H 20 4.524 4.524 4.263 0.261 19003 4539 1 13 . 1 1 20 20 THR C C 20 177.950 177.950 175.658 2.292 19003 4540 1 13 . 1 1 20 20 THR CA C 20 61.001 61.001 62.420 -1.419 19003 4541 1 13 . 1 1 20 20 THR CB C 20 70.697 70.697 70.227 0.470 19003 4542 1 13 . 1 1 21 21 ASP N N 21 121.413 121.413 124.962 -3.549 19003 4543 1 13 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.362 0.154 19003 4544 1 13 . 1 1 21 21 ASP C C 21 178.378 178.378 177.702 0.676 19003 4545 1 13 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.465 -0.667 19003 4546 1 13 . 1 1 21 21 ASP CB C 21 39.918 39.918 40.986 -1.068 19003 4547 1 13 . 1 1 21 21 ASP H H 21 8.962 8.962 9.037 -0.075 19003 4548 1 13 . 1 1 22 22 ASP N N 22 117.981 117.981 119.635 -1.654 19003 4549 1 13 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.545 0.011 19003 4550 1 13 . 1 1 22 22 ASP C C 22 178.869 178.869 178.360 0.509 19003 4551 1 13 . 1 1 22 22 ASP CA C 22 57.709 57.709 58.011 -0.302 19003 4552 1 13 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.423 -0.149 19003 4553 1 13 . 1 1 22 22 ASP H H 22 8.467 8.467 7.920 0.547 19003 4554 1 13 . 1 1 23 23 GLU N N 23 120.900 120.900 119.844 1.056 19003 4555 1 13 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.341 -0.163 19003 4556 1 13 . 1 1 23 23 GLU C C 23 178.452 178.452 178.599 -0.147 19003 4557 1 13 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.243 0.424 19003 4558 1 13 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.185 1.503 19003 4559 1 13 . 1 1 23 23 GLU H H 23 7.933 7.933 8.901 -0.968 19003 4560 1 13 . 1 1 24 24 TYR N N 24 119.764 119.764 120.328 -0.564 19003 4561 1 13 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.872 0.451 19003 4562 1 13 . 1 1 24 24 TYR C C 24 177.589 177.589 177.557 0.032 19003 4563 1 13 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.678 0.820 19003 4564 1 13 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.493 -0.014 19003 4565 1 13 . 1 1 24 24 TYR H H 24 8.539 8.539 7.702 0.837 19003 4566 1 13 . 1 1 25 25 ASP N N 25 119.296 119.296 118.232 1.064 19003 4567 1 13 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.412 0.064 19003 4568 1 13 . 1 1 25 25 ASP C C 25 179.078 179.078 178.890 0.188 19003 4569 1 13 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.744 -0.212 19003 4570 1 13 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.980 -0.798 19003 4571 1 13 . 1 1 25 25 ASP H H 25 8.369 8.369 7.917 0.452 19003 4572 1 13 . 1 1 26 26 GLU N N 26 121.770 121.770 119.165 2.605 19003 4573 1 13 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.233 -0.028 19003 4574 1 13 . 1 1 26 26 GLU C C 26 177.514 177.514 178.768 -1.254 19003 4575 1 13 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.844 0.556 19003 4576 1 13 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.415 1.362 19003 4577 1 13 . 1 1 26 26 GLU H H 26 8.356 8.356 8.566 -0.210 19003 4578 1 13 . 1 1 27 27 TRP N N 27 122.248 122.248 121.751 0.497 19003 4579 1 13 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.236 -0.058 19003 4580 1 13 . 1 1 27 27 TRP C C 27 177.873 177.873 177.385 0.488 19003 4581 1 13 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.797 -0.913 19003 4582 1 13 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.352 2.227 19003 4583 1 13 . 1 1 27 27 TRP H H 27 8.314 8.314 8.162 0.152 19003 4584 1 13 . 1 1 28 28 ARG N N 28 117.274 117.274 118.357 -1.083 19003 4585 1 13 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.254 -0.184 19003 4586 1 13 . 1 1 28 28 ARG C C 28 179.775 179.775 178.621 1.154 19003 4587 1 13 . 1 1 28 28 ARG CA C 28 58.421 58.421 58.942 -0.521 19003 4588 1 13 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.468 0.266 19003 4589 1 13 . 1 1 28 28 ARG H H 28 7.974 7.974 7.451 0.523 19003 4590 1 13 . 1 1 29 29 GLU N N 29 121.770 121.770 119.514 2.256 19003 4591 1 13 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.099 -0.050 19003 4592 1 13 . 1 1 29 29 GLU C C 29 178.720 178.720 178.268 0.452 19003 4593 1 13 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.048 -0.093 19003 4594 1 13 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.790 -0.279 19003 4595 1 13 . 1 1 29 29 GLU H H 29 8.591 8.591 7.648 0.943 19003 4596 1 13 . 1 1 30 30 HIS N N 30 121.863 121.863 119.348 2.515 19003 4597 1 13 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.304 -1.169 19003 4598 1 13 . 1 1 30 30 HIS C C 30 176.308 176.308 177.656 -1.348 19003 4599 1 13 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.577 0.676 19003 4600 1 13 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.066 -2.197 19003 4601 1 13 . 1 1 30 30 HIS H H 30 8.723 8.723 8.650 0.073 19003 4602 1 13 . 1 1 31 31 ASN N N 31 117.257 117.257 117.701 -0.444 19003 4603 1 13 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.042 0.014 19003 4604 1 13 . 1 1 31 31 ASN C C 31 178.035 178.035 177.019 1.016 19003 4605 1 13 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.625 -1.446 19003 4606 1 13 . 1 1 31 31 ASN CB C 31 36.823 36.823 37.863 -1.040 19003 4607 1 13 . 1 1 31 31 ASN H H 31 7.405 7.405 8.146 -0.741 19003 4608 1 13 . 1 1 32 32 ALA N N 32 120.650 120.650 121.967 -1.317 19003 4609 1 13 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.980 0.085 19003 4610 1 13 . 1 1 32 32 ALA C C 32 180.463 180.463 180.054 0.409 19003 4611 1 13 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.897 -0.212 19003 4612 1 13 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.340 -0.127 19003 4613 1 13 . 1 1 32 32 ALA H H 32 7.905 7.905 7.278 0.627 19003 4614 1 13 . 1 1 33 33 SER N N 33 112.890 112.890 114.651 -1.761 19003 4615 1 13 . 1 1 33 33 SER HA H 33 4.205 4.205 4.304 -0.099 19003 4616 1 13 . 1 1 33 33 SER CA C 33 61.074 61.074 60.992 0.082 19003 4617 1 13 . 1 1 33 33 SER CB C 33 63.834 63.834 63.712 0.122 19003 4618 1 13 . 1 1 33 33 SER H H 33 8.569 8.569 8.671 -0.102 19003 4619 1 13 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.098 0.063 19003 4620 1 13 . 1 1 34 34 ARG C C 34 174.641 174.641 175.790 -1.149 19003 4621 1 13 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.704 1.315 19003 4622 1 13 . 1 1 35 35 LYS N N 35 117.509 117.509 117.081 0.428 19003 4623 1 13 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.974 -0.086 19003 4624 1 13 . 1 1 35 35 LYS C C 35 175.501 175.501 175.659 -0.158 19003 4625 1 13 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.841 0.246 19003 4626 1 13 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.448 -0.738 19003 4627 1 13 . 1 1 35 35 LYS H H 35 7.492 7.492 7.872 -0.380 19003 4628 1 13 . 1 1 36 36 LEU N N 36 118.727 118.727 115.167 3.560 19003 4629 1 13 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.572 0.023 19003 4630 1 13 . 1 1 36 36 LEU C C 36 175.281 175.281 175.208 0.073 19003 4631 1 13 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.903 -0.112 19003 4632 1 13 . 1 1 36 36 LEU CB C 36 46.374 46.374 44.163 2.211 19003 4633 1 13 . 1 1 36 36 LEU H H 36 8.165 8.165 7.808 0.357 19003 4634 1 13 . 1 1 37 37 ASP N N 37 121.035 121.035 120.621 0.414 19003 4635 1 13 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.680 0.060 19003 4636 1 13 . 1 1 37 37 ASP C C 37 175.921 175.921 174.537 1.384 19003 4637 1 13 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.745 -0.954 19003 4638 1 13 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.477 -0.177 19003 4639 1 13 . 1 1 37 37 ASP H H 37 8.403 8.403 8.173 0.230 19003 4640 1 13 . 1 1 38 38 LEU N N 38 119.070 119.070 120.525 -1.455 19003 4641 1 13 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.799 -0.138 19003 4642 1 13 . 1 1 38 38 LEU C C 38 180.209 180.209 175.355 4.854 19003 4643 1 13 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.388 1.920 19003 4644 1 13 . 1 1 38 38 LEU CB C 38 43.210 43.210 44.996 -1.786 19003 4645 1 13 . 1 1 38 38 LEU H H 38 7.515 7.515 7.954 -0.439 19003 4646 1 13 . 1 1 39 39 SER N N 39 122.093 122.093 115.838 6.255 19003 4647 1 13 . 1 1 39 39 SER HA H 39 4.663 4.663 5.102 -0.439 19003 4648 1 13 . 1 1 39 39 SER C C 39 174.730 174.730 174.922 -0.192 19003 4649 1 13 . 1 1 39 39 SER CA C 39 57.343 57.343 56.839 0.504 19003 4650 1 13 . 1 1 39 39 SER CB C 39 64.879 64.879 64.544 0.335 19003 4651 1 13 . 1 1 39 39 SER H H 39 9.706 9.706 8.769 0.937 19003 4652 1 13 . 1 1 40 40 VAL N N 40 122.917 122.917 123.519 -0.602 19003 4653 1 13 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.132 0.536 19003 4654 1 13 . 1 1 40 40 VAL C C 40 177.187 177.187 176.853 0.334 19003 4655 1 13 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.645 0.727 19003 4656 1 13 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.038 -0.185 19003 4657 1 13 . 1 1 41 41 GLU N N 41 118.661 118.661 119.647 -0.986 19003 4658 1 13 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.763 0.052 19003 4659 1 13 . 1 1 41 41 GLU C C 41 179.108 179.108 177.950 1.158 19003 4660 1 13 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.715 0.019 19003 4661 1 13 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.157 0.731 19003 4662 1 13 . 1 1 41 41 GLU H H 41 8.725 8.725 8.451 0.274 19003 4663 1 13 . 1 1 42 42 ASP N N 42 120.291 120.291 117.932 2.359 19003 4664 1 13 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.339 0.085 19003 4665 1 13 . 1 1 42 42 ASP C C 42 179.703 179.703 178.491 1.212 19003 4666 1 13 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.216 0.227 19003 4667 1 13 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.142 -0.135 19003 4668 1 13 . 1 1 42 42 ASP H H 42 7.979 7.979 8.556 -0.577 19003 4669 1 13 . 1 1 43 43 PHE N N 43 123.091 123.091 121.413 1.678 19003 4670 1 13 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.129 -0.119 19003 4671 1 13 . 1 1 43 43 PHE C C 43 175.459 175.459 176.485 -1.026 19003 4672 1 13 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.741 0.407 19003 4673 1 13 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.088 0.645 19003 4674 1 13 . 1 1 43 43 PHE H H 43 8.656 8.656 7.168 1.488 19003 4675 1 13 . 1 1 44 44 LEU N N 44 119.965 119.965 118.574 1.391 19003 4676 1 13 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.716 -0.286 19003 4677 1 13 . 1 1 44 44 LEU C C 44 180.537 180.537 178.967 1.570 19003 4678 1 13 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.629 0.087 19003 4679 1 13 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.677 0.548 19003 4680 1 13 . 1 1 44 44 LEU H H 44 8.702 8.702 8.630 0.072 19003 4681 1 13 . 1 1 45 45 MET N N 45 118.100 118.100 118.374 -0.274 19003 4682 1 13 . 1 1 45 45 MET HA H 45 4.117 4.117 3.977 0.140 19003 4683 1 13 . 1 1 45 45 MET C C 45 178.274 178.274 178.680 -0.406 19003 4684 1 13 . 1 1 45 45 MET CA C 45 58.421 58.421 59.352 -0.931 19003 4685 1 13 . 1 1 45 45 MET CB C 45 32.268 32.268 32.617 -0.349 19003 4686 1 13 . 1 1 45 45 MET H H 45 7.829 7.829 8.084 -0.255 19003 4687 1 13 . 1 1 46 46 LEU N N 46 123.359 123.359 118.731 4.628 19003 4688 1 13 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.671 0.171 19003 4689 1 13 . 1 1 46 46 LEU C C 46 176.531 176.531 178.718 -2.187 19003 4690 1 13 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.652 -0.034 19003 4691 1 13 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.434 1.359 19003 4692 1 13 . 1 1 46 46 LEU H H 46 7.659 7.659 7.499 0.160 19003 4693 1 13 . 1 1 47 47 ARG N N 47 118.271 118.271 116.330 1.941 19003 4694 1 13 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.784 -1.033 19003 4695 1 13 . 1 1 47 47 ARG C C 47 178.363 178.363 178.100 0.263 19003 4696 1 13 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.779 -0.775 19003 4697 1 13 . 1 1 47 47 ARG CB C 47 30.107 30.107 28.962 1.145 19003 4698 1 13 . 1 1 47 47 ARG H H 47 7.955 7.955 7.436 0.519 19003 4699 1 13 . 1 1 48 48 HIS N N 48 117.915 117.915 120.207 -2.292 19003 4700 1 13 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.027 0.198 19003 4701 1 13 . 1 1 48 48 HIS C C 48 177.097 177.097 177.478 -0.381 19003 4702 1 13 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.247 0.064 19003 4703 1 13 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.928 0.650 19003 4704 1 13 . 1 1 48 48 HIS H H 48 7.609 7.609 8.028 -0.419 19003 4705 1 13 . 1 1 49 49 ARG N N 49 116.831 116.831 118.164 -1.333 19003 4706 1 13 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.871 0.107 19003 4707 1 13 . 1 1 49 49 ARG C C 49 179.242 179.242 178.730 0.512 19003 4708 1 13 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.502 -0.443 19003 4709 1 13 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.001 -1.311 19003 4710 1 13 . 1 1 49 49 ARG H H 49 7.980 7.980 8.520 -0.540 19003 4711 1 13 . 1 1 50 50 ALA N N 50 122.916 122.916 122.300 0.616 19003 4712 1 13 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.134 -0.154 19003 4713 1 13 . 1 1 50 50 ALA C C 50 181.207 181.207 179.528 1.679 19003 4714 1 13 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.823 0.218 19003 4715 1 13 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.466 0.726 19003 4716 1 13 . 1 1 50 50 ALA H H 50 8.734 8.734 7.579 1.155 19003 4717 1 13 . 1 1 51 51 ALA N N 51 122.005 122.005 120.115 1.890 19003 4718 1 13 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.049 0.064 19003 4719 1 13 . 1 1 51 51 ALA C C 51 179.033 179.033 179.300 -0.267 19003 4720 1 13 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.530 0.052 19003 4721 1 13 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.905 -0.886 19003 4722 1 13 . 1 1 51 51 ALA H H 51 7.861 7.861 8.057 -0.196 19003 4723 1 13 . 1 1 52 52 LEU N N 52 117.205 117.205 116.834 0.371 19003 4724 1 13 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.225 0.033 19003 4725 1 13 . 1 1 52 52 LEU C C 52 177.842 177.842 178.504 -0.662 19003 4726 1 13 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.121 -1.498 19003 4727 1 13 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.700 -1.091 19003 4728 1 13 . 1 1 52 52 LEU H H 52 7.277 7.277 8.128 -0.851 19003 4729 1 13 . 1 1 53 53 GLY N N 53 105.824 105.824 102.724 3.100 19003 4730 1 13 . 1 1 53 53 GLY C C 53 174.745 174.745 173.257 1.488 19003 4731 1 13 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.045 0.478 19003 4732 1 13 . 1 1 53 53 GLY H H 53 7.616 7.616 7.880 -0.264 19003 4733 1 13 . 1 1 54 54 ALA N N 54 122.086 122.086 123.171 -1.085 19003 4734 1 13 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.572 -0.345 19003 4735 1 13 . 1 1 54 54 ALA C C 54 178.035 178.035 176.009 2.026 19003 4736 1 13 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.201 2.239 19003 4737 1 13 . 1 1 54 54 ALA CB C 54 19.725 19.725 20.551 -0.826 19003 4738 1 13 . 1 1 54 54 ALA H H 54 7.637 7.637 8.067 -0.430 19003 4739 1 13 . 1 1 55 55 ASP N N 55 118.303 118.303 122.103 -3.800 19003 4740 1 13 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.751 -0.005 19003 4741 1 13 . 1 1 55 55 ASP C C 55 176.129 176.129 175.201 0.928 19003 4742 1 13 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.700 -0.705 19003 4743 1 13 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.785 -1.443 19003 4744 1 13 . 1 1 55 55 ASP H H 55 8.540 8.540 8.572 -0.032 19003 4745 1 13 . 1 1 56 56 ASP N N 56 116.381 116.381 120.886 -4.505 19003 4746 1 13 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.590 0.023 19003 4747 1 13 . 1 1 56 56 ASP C C 56 175.638 175.638 177.638 -2.000 19003 4748 1 13 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.090 -0.562 19003 4749 1 13 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.191 -0.138 19003 4750 1 13 . 1 1 56 56 ASP H H 56 7.469 7.469 8.002 -0.533 19003 4751 1 13 . 1 1 57 57 ASN N N 57 118.913 118.913 125.089 -6.176 19003 4752 1 13 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.312 0.019 19003 4753 1 13 . 1 1 57 57 ASN C C 57 176.963 176.963 176.724 0.239 19003 4754 1 13 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.411 0.943 19003 4755 1 13 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.014 1.282 19003 4756 1 13 . 1 1 57 57 ASN H H 57 9.033 9.033 8.880 0.153 19003 4757 1 13 . 1 1 58 58 ASP N N 58 117.610 117.610 121.780 -4.170 19003 4758 1 13 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.450 0.035 19003 4759 1 13 . 1 1 58 58 ASP C C 58 178.944 178.944 178.256 0.688 19003 4760 1 13 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.415 0.206 19003 4761 1 13 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.564 -0.557 19003 4762 1 13 . 1 1 58 58 ASP H H 58 8.519 8.519 8.203 0.316 19003 4763 1 13 . 1 1 59 59 ALA N N 59 126.800 126.800 121.887 4.913 19003 4764 1 13 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.111 -0.133 19003 4765 1 13 . 1 1 59 59 ALA C C 59 178.974 178.974 179.287 -0.313 19003 4766 1 13 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.143 0.609 19003 4767 1 13 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.596 0.506 19003 4768 1 13 . 1 1 59 59 ALA H H 59 8.067 8.067 7.959 0.108 19003 4769 1 13 . 1 1 60 60 VAL N N 60 119.673 119.673 116.902 2.771 19003 4770 1 13 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.847 -0.258 19003 4771 1 13 . 1 1 60 60 VAL C C 60 179.934 179.934 177.462 2.472 19003 4772 1 13 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.560 1.185 19003 4773 1 13 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.331 0.790 19003 4774 1 13 . 1 1 61 61 LYS N N 61 119.673 119.673 120.705 -1.032 19003 4775 1 13 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.340 -0.138 19003 4776 1 13 . 1 1 61 61 LYS C C 61 180.135 180.135 179.353 0.782 19003 4777 1 13 . 1 1 61 61 LYS CA C 61 59.437 59.437 58.930 0.507 19003 4778 1 13 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.113 0.244 19003 4779 1 13 . 1 1 61 61 LYS H H 61 8.383 8.383 8.634 -0.251 19003 4780 1 13 . 1 1 62 62 PHE N N 62 122.324 122.324 122.660 -0.336 19003 4781 1 13 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.381 -0.047 19003 4782 1 13 . 1 1 62 62 PHE C C 62 177.038 177.038 176.853 0.185 19003 4783 1 13 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.203 1.488 19003 4784 1 13 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.511 -0.304 19003 4785 1 13 . 1 1 62 62 PHE H H 62 8.510 8.510 7.900 0.610 19003 4786 1 13 . 1 1 63 63 ARG N N 63 119.741 119.741 120.645 -0.904 19003 4787 1 13 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.921 0.153 19003 4788 1 13 . 1 1 63 63 ARG C C 63 178.586 178.586 178.374 0.212 19003 4789 1 13 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.455 1.724 19003 4790 1 13 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.827 0.929 19003 4791 1 13 . 1 1 63 63 ARG H H 63 8.724 8.724 8.883 -0.159 19003 4792 1 13 . 1 1 64 64 SER N N 64 113.962 113.962 114.915 -0.953 19003 4793 1 13 . 1 1 64 64 SER HA H 64 4.324 4.324 4.124 0.200 19003 4794 1 13 . 1 1 64 64 SER C C 64 177.297 177.297 176.577 0.720 19003 4795 1 13 . 1 1 64 64 SER CA C 64 61.550 61.550 61.461 0.089 19003 4796 1 13 . 1 1 64 64 SER CB C 64 62.316 62.316 62.755 -0.439 19003 4797 1 13 . 1 1 64 64 SER H H 64 8.224 8.224 8.674 -0.450 19003 4798 1 13 . 1 1 65 65 TRP N N 65 123.490 123.490 124.743 -1.253 19003 4799 1 13 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.425 -0.272 19003 4800 1 13 . 1 1 65 65 TRP C C 65 178.318 178.318 178.433 -0.115 19003 4801 1 13 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.418 1.294 19003 4802 1 13 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.468 -2.181 19003 4803 1 13 . 1 1 65 65 TRP H H 65 8.054 8.054 7.689 0.365 19003 4804 1 13 . 1 1 66 66 TRP N N 66 122.351 122.351 120.342 2.009 19003 4805 1 13 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.101 -0.013 19003 4806 1 13 . 1 1 66 66 TRP C C 66 178.959 178.959 176.504 2.455 19003 4807 1 13 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.799 1.454 19003 4808 1 13 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.352 0.158 19003 4809 1 13 . 1 1 66 66 TRP H H 66 9.333 9.333 8.820 0.513 19003 4810 1 13 . 1 1 67 67 ASN N N 67 115.529 115.529 115.422 0.107 19003 4811 1 13 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.613 -0.237 19003 4812 1 13 . 1 1 67 67 ASN C C 67 176.591 176.591 175.296 1.295 19003 4813 1 13 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.742 0.566 19003 4814 1 13 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.608 -0.113 19003 4815 1 13 . 1 1 67 67 ASN H H 67 8.586 8.586 8.352 0.234 19003 4816 1 13 . 1 1 68 68 SER N N 68 114.677 114.677 113.896 0.781 19003 4817 1 13 . 1 1 68 68 SER HA H 68 4.332 4.332 4.386 -0.054 19003 4818 1 13 . 1 1 68 68 SER C C 68 174.581 174.581 174.414 0.167 19003 4819 1 13 . 1 1 68 68 SER CA C 68 59.578 59.578 60.056 -0.478 19003 4820 1 13 . 1 1 68 68 SER CB C 68 63.670 63.670 63.829 -0.159 19003 4821 1 13 . 1 1 68 68 SER H H 68 7.600 7.600 7.602 -0.002 19003 4822 1 13 . 1 1 69 69 ARG N N 69 121.618 121.618 119.378 2.240 19003 4823 1 13 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.389 -0.510 19003 4824 1 13 . 1 1 69 69 ARG C C 69 176.963 176.963 177.224 -0.261 19003 4825 1 13 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.155 -0.068 19003 4826 1 13 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.644 -0.689 19003 4827 1 13 . 1 1 69 69 ARG H H 69 6.992 6.992 7.180 -0.188 19003 4828 1 13 . 1 1 70 70 THR N N 70 114.140 114.140 114.230 -0.090 19003 4829 1 13 . 1 1 70 70 THR HA H 70 4.030 4.030 3.995 0.035 19003 4830 1 13 . 1 1 70 70 THR C C 70 174.506 174.506 174.273 0.233 19003 4831 1 13 . 1 1 70 70 THR CA C 70 62.513 62.513 62.571 -0.058 19003 4832 1 13 . 1 1 70 70 THR CB C 70 69.378 69.378 68.868 0.510 19003 4833 1 13 . 1 1 71 71 LYS N N 71 123.490 123.490 115.518 7.972 19003 4834 1 13 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.955 0.232 19003 4835 1 13 . 1 1 71 71 LYS C C 71 176.531 176.531 176.213 0.318 19003 4836 1 13 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.717 -0.431 19003 4837 1 13 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.936 1.688 19003 4838 1 13 . 1 1 71 71 LYS H H 71 8.051 8.051 7.901 0.150 19003 4839 1 13 . 1 1 72 72 MET N N 72 121.388 121.388 113.186 8.202 19003 4840 1 13 . 1 1 72 72 MET HA H 72 4.376 4.376 4.416 -0.040 19003 4841 1 13 . 1 1 72 72 MET C C 72 176.115 176.115 175.520 0.595 19003 4842 1 13 . 1 1 72 72 MET CA C 72 55.397 55.397 57.306 -1.909 19003 4843 1 13 . 1 1 72 72 MET CB C 72 32.446 32.446 31.983 0.463 19003 4844 1 13 . 1 1 72 72 MET H H 72 8.305 8.305 7.214 1.091 19003 4845 1 13 . 1 1 73 73 ALA N N 73 124.890 124.890 120.657 4.233 19003 4846 1 13 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.638 -0.409 19003 4847 1 13 . 1 1 73 73 ALA C C 73 177.499 177.499 177.526 -0.027 19003 4848 1 13 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.517 1.122 19003 4849 1 13 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.035 -0.932 19003 4850 1 13 . 1 1 73 73 ALA H H 73 8.272 8.272 8.499 -0.227 19003 4851 1 13 . 1 1 74 74 ASN N N 74 117.940 117.940 117.953 -0.013 19003 4852 1 13 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.403 0.227 19003 4853 1 13 . 1 1 74 74 ASN C C 74 174.893 174.893 174.702 0.191 19003 4854 1 13 . 1 1 74 74 ASN CA C 74 53.084 53.084 57.146 -4.062 19003 4855 1 13 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.496 1.622 19003 4856 1 13 . 1 1 74 74 ASN H H 74 8.408 8.408 8.473 -0.065 19003 4857 1 13 . 1 1 75 75 ASP N N 75 120.439 120.439 119.210 1.229 19003 4858 1 13 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.780 -0.238 19003 4859 1 13 . 1 1 75 75 ASP C C 75 175.861 175.861 175.128 0.733 19003 4860 1 13 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.396 0.844 19003 4861 1 13 . 1 1 75 75 ASP CB C 75 41.075 41.075 42.191 -1.116 19003 4862 1 13 . 1 1 75 75 ASP H H 75 8.298 8.298 7.994 0.304 19003 4863 1 14 . 1 1 11 11 THR N N 11 114.405 114.405 114.729 -0.324 19003 4864 1 14 . 1 1 11 11 THR HA H 11 4.246 4.246 4.232 0.014 19003 4865 1 14 . 1 1 11 11 THR C C 11 174.586 174.586 172.511 2.075 19003 4866 1 14 . 1 1 11 11 THR CA C 11 62.246 62.246 60.991 1.255 19003 4867 1 14 . 1 1 11 11 THR CB C 11 69.310 69.310 71.024 -1.714 19003 4868 1 14 . 1 1 12 12 TYR N N 12 123.008 123.008 119.055 3.953 19003 4869 1 14 . 1 1 12 12 TYR HA H 12 4.395 4.395 5.032 -0.637 19003 4870 1 14 . 1 1 12 12 TYR C C 12 176.070 176.070 174.207 1.863 19003 4871 1 14 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.584 1.927 19003 4872 1 14 . 1 1 12 12 TYR CB C 12 38.584 38.584 41.077 -2.493 19003 4873 1 14 . 1 1 12 12 TYR H H 12 8.274 8.274 8.266 0.008 19003 4874 1 14 . 1 1 13 13 ARG N N 13 123.852 123.852 119.330 4.522 19003 4875 1 14 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.387 -0.137 19003 4876 1 14 . 1 1 13 13 ARG C C 13 176.829 176.829 176.360 0.469 19003 4877 1 14 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.789 0.586 19003 4878 1 14 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.727 -2.238 19003 4879 1 14 . 1 1 13 13 ARG H H 13 8.371 8.371 8.570 -0.199 19003 4880 1 14 . 1 1 14 14 GLY N N 14 108.394 108.394 114.814 -6.420 19003 4881 1 14 . 1 1 14 14 GLY C C 14 173.911 173.911 174.909 -0.998 19003 4882 1 14 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.071 -0.904 19003 4883 1 14 . 1 1 14 14 GLY H H 14 7.646 7.646 8.733 -1.087 19003 4884 1 14 . 1 1 15 15 ARG N N 15 121.238 121.238 124.051 -2.813 19003 4885 1 14 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.225 0.041 19003 4886 1 14 . 1 1 15 15 ARG C C 15 177.053 177.053 176.724 0.329 19003 4887 1 14 . 1 1 15 15 ARG CA C 15 56.286 56.286 53.852 2.434 19003 4888 1 14 . 1 1 15 15 ARG CB C 15 30.578 30.578 27.849 2.729 19003 4889 1 14 . 1 1 15 15 ARG H H 15 8.568 8.568 7.511 1.057 19003 4890 1 14 . 1 1 16 16 GLY N N 16 110.085 110.085 108.367 1.718 19003 4891 1 14 . 1 1 16 16 GLY C C 16 173.911 173.911 174.873 -0.962 19003 4892 1 14 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.431 0.092 19003 4893 1 14 . 1 1 16 16 GLY H H 16 8.525 8.525 7.939 0.586 19003 4894 1 14 . 1 1 17 17 VAL N N 17 119.300 119.300 115.419 3.881 19003 4895 1 14 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.972 0.077 19003 4896 1 14 . 1 1 17 17 VAL C C 17 175.147 175.147 175.749 -0.602 19003 4897 1 14 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.340 -1.450 19003 4898 1 14 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.376 0.337 19003 4899 1 14 . 1 1 18 18 ALA N N 18 128.131 128.131 129.663 -1.532 19003 4900 1 14 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.038 0.296 19003 4901 1 14 . 1 1 18 18 ALA C C 18 177.082 177.082 176.724 0.358 19003 4902 1 14 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.638 0.378 19003 4903 1 14 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.452 -0.438 19003 4904 1 14 . 1 1 18 18 ALA H H 18 8.367 8.367 8.272 0.095 19003 4905 1 14 . 1 1 19 19 LEU N N 19 122.503 122.503 117.294 5.209 19003 4906 1 14 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.086 0.552 19003 4907 1 14 . 1 1 19 19 LEU C C 19 177.058 177.058 176.433 0.625 19003 4908 1 14 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.621 -1.025 19003 4909 1 14 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.144 1.688 19003 4910 1 14 . 1 1 19 19 LEU H H 19 8.160 8.160 7.572 0.588 19003 4911 1 14 . 1 1 20 20 THR N N 20 115.199 115.199 114.553 0.646 19003 4912 1 14 . 1 1 20 20 THR HA H 20 4.524 4.524 4.182 0.342 19003 4913 1 14 . 1 1 20 20 THR C C 20 177.950 177.950 175.613 2.337 19003 4914 1 14 . 1 1 20 20 THR CA C 20 61.001 61.001 62.714 -1.713 19003 4915 1 14 . 1 1 20 20 THR CB C 20 70.697 70.697 70.021 0.676 19003 4916 1 14 . 1 1 21 21 ASP N N 21 121.413 121.413 124.656 -3.243 19003 4917 1 14 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.407 0.109 19003 4918 1 14 . 1 1 21 21 ASP C C 21 178.378 178.378 177.953 0.425 19003 4919 1 14 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.651 -0.853 19003 4920 1 14 . 1 1 21 21 ASP CB C 21 39.918 39.918 40.980 -1.062 19003 4921 1 14 . 1 1 21 21 ASP H H 21 8.962 8.962 8.993 -0.031 19003 4922 1 14 . 1 1 22 22 ASP N N 22 117.981 117.981 120.463 -2.482 19003 4923 1 14 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.528 0.028 19003 4924 1 14 . 1 1 22 22 ASP C C 22 178.869 178.869 178.617 0.252 19003 4925 1 14 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.949 -0.240 19003 4926 1 14 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.297 -0.023 19003 4927 1 14 . 1 1 22 22 ASP H H 22 8.467 8.467 8.579 -0.112 19003 4928 1 14 . 1 1 23 23 GLU N N 23 120.900 120.900 119.719 1.181 19003 4929 1 14 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.443 -0.265 19003 4930 1 14 . 1 1 23 23 GLU C C 23 178.452 178.452 178.691 -0.239 19003 4931 1 14 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.532 0.135 19003 4932 1 14 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.488 1.200 19003 4933 1 14 . 1 1 23 23 GLU H H 23 7.933 7.933 8.840 -0.907 19003 4934 1 14 . 1 1 24 24 TYR N N 24 119.764 119.764 119.547 0.217 19003 4935 1 14 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.951 0.372 19003 4936 1 14 . 1 1 24 24 TYR C C 24 177.589 177.589 177.656 -0.067 19003 4937 1 14 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.541 0.957 19003 4938 1 14 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.635 -0.156 19003 4939 1 14 . 1 1 24 24 TYR H H 24 8.539 8.539 7.743 0.796 19003 4940 1 14 . 1 1 25 25 ASP N N 25 119.296 119.296 118.537 0.759 19003 4941 1 14 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.439 0.037 19003 4942 1 14 . 1 1 25 25 ASP C C 25 179.078 179.078 178.941 0.137 19003 4943 1 14 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.452 0.080 19003 4944 1 14 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.828 -0.647 19003 4945 1 14 . 1 1 25 25 ASP H H 25 8.369 8.369 7.775 0.594 19003 4946 1 14 . 1 1 26 26 GLU N N 26 121.770 121.770 119.003 2.767 19003 4947 1 14 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.323 -0.118 19003 4948 1 14 . 1 1 26 26 GLU C C 26 177.514 177.514 178.892 -1.378 19003 4949 1 14 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.178 1.222 19003 4950 1 14 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.399 1.378 19003 4951 1 14 . 1 1 26 26 GLU H H 26 8.356 8.356 8.683 -0.327 19003 4952 1 14 . 1 1 27 27 TRP N N 27 122.248 122.248 122.166 0.082 19003 4953 1 14 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.148 0.030 19003 4954 1 14 . 1 1 27 27 TRP C C 27 177.873 177.873 177.326 0.547 19003 4955 1 14 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.933 -1.048 19003 4956 1 14 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.223 2.355 19003 4957 1 14 . 1 1 27 27 TRP H H 27 8.314 8.314 8.137 0.177 19003 4958 1 14 . 1 1 28 28 ARG N N 28 117.274 117.274 117.460 -0.186 19003 4959 1 14 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.040 0.030 19003 4960 1 14 . 1 1 28 28 ARG C C 28 179.775 179.775 178.442 1.333 19003 4961 1 14 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.483 -1.062 19003 4962 1 14 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.452 0.282 19003 4963 1 14 . 1 1 28 28 ARG H H 28 7.974 7.974 7.314 0.660 19003 4964 1 14 . 1 1 29 29 GLU N N 29 121.770 121.770 119.569 2.201 19003 4965 1 14 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.089 -0.040 19003 4966 1 14 . 1 1 29 29 GLU C C 29 178.720 178.720 178.246 0.474 19003 4967 1 14 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.044 -0.089 19003 4968 1 14 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.800 -0.289 19003 4969 1 14 . 1 1 29 29 GLU H H 29 8.591 8.591 7.645 0.946 19003 4970 1 14 . 1 1 30 30 HIS N N 30 121.863 121.863 119.603 2.260 19003 4971 1 14 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.308 -1.173 19003 4972 1 14 . 1 1 30 30 HIS C C 30 176.308 176.308 177.475 -1.167 19003 4973 1 14 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.354 0.899 19003 4974 1 14 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.117 -2.248 19003 4975 1 14 . 1 1 30 30 HIS H H 30 8.723 8.723 8.604 0.119 19003 4976 1 14 . 1 1 31 31 ASN N N 31 117.257 117.257 117.574 -0.317 19003 4977 1 14 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.016 0.040 19003 4978 1 14 . 1 1 31 31 ASN C C 31 178.035 178.035 176.858 1.177 19003 4979 1 14 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.163 -0.984 19003 4980 1 14 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.116 -1.293 19003 4981 1 14 . 1 1 31 31 ASN H H 31 7.405 7.405 8.235 -0.830 19003 4982 1 14 . 1 1 32 32 ALA N N 32 120.650 120.650 121.061 -0.411 19003 4983 1 14 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.943 0.122 19003 4984 1 14 . 1 1 32 32 ALA C C 32 180.463 180.463 180.154 0.309 19003 4985 1 14 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.953 -0.268 19003 4986 1 14 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.359 -0.146 19003 4987 1 14 . 1 1 32 32 ALA H H 32 7.905 7.905 7.210 0.695 19003 4988 1 14 . 1 1 33 33 SER N N 33 112.890 112.890 114.093 -1.203 19003 4989 1 14 . 1 1 33 33 SER HA H 33 4.205 4.205 4.319 -0.114 19003 4990 1 14 . 1 1 33 33 SER CA C 33 61.074 61.074 60.649 0.425 19003 4991 1 14 . 1 1 33 33 SER CB C 33 63.834 63.834 63.692 0.142 19003 4992 1 14 . 1 1 33 33 SER H H 33 8.569 8.569 8.667 -0.098 19003 4993 1 14 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.220 -0.059 19003 4994 1 14 . 1 1 34 34 ARG C C 34 174.641 174.641 175.451 -0.810 19003 4995 1 14 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.490 1.529 19003 4996 1 14 . 1 1 35 35 LYS N N 35 117.509 117.509 115.887 1.622 19003 4997 1 14 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.863 0.025 19003 4998 1 14 . 1 1 35 35 LYS C C 35 175.501 175.501 176.115 -0.614 19003 4999 1 14 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.143 -0.056 19003 5000 1 14 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.608 -0.898 19003 5001 1 14 . 1 1 35 35 LYS H H 35 7.492 7.492 7.809 -0.317 19003 5002 1 14 . 1 1 36 36 LEU N N 36 118.727 118.727 115.730 2.997 19003 5003 1 14 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.545 0.050 19003 5004 1 14 . 1 1 36 36 LEU C C 36 175.281 175.281 175.951 -0.670 19003 5005 1 14 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.523 0.268 19003 5006 1 14 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.689 2.685 19003 5007 1 14 . 1 1 36 36 LEU H H 36 8.165 8.165 7.084 1.081 19003 5008 1 14 . 1 1 37 37 ASP N N 37 121.035 121.035 119.183 1.852 19003 5009 1 14 . 1 1 37 37 ASP HA H 37 4.740 4.740 5.036 -0.296 19003 5010 1 14 . 1 1 37 37 ASP C C 37 175.921 175.921 176.158 -0.237 19003 5011 1 14 . 1 1 37 37 ASP CA C 37 52.791 52.791 52.844 -0.053 19003 5012 1 14 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.110 0.190 19003 5013 1 14 . 1 1 37 37 ASP H H 37 8.403 8.403 8.127 0.276 19003 5014 1 14 . 1 1 38 38 LEU N N 38 119.070 119.070 117.444 1.626 19003 5015 1 14 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.857 -0.196 19003 5016 1 14 . 1 1 38 38 LEU C C 38 180.209 180.209 176.427 3.782 19003 5017 1 14 . 1 1 38 38 LEU CA C 38 55.308 55.308 54.057 1.251 19003 5018 1 14 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.400 -0.190 19003 5019 1 14 . 1 1 38 38 LEU H H 38 7.515 7.515 7.451 0.064 19003 5020 1 14 . 1 1 39 39 SER N N 39 122.093 122.093 116.526 5.567 19003 5021 1 14 . 1 1 39 39 SER HA H 39 4.663 4.663 4.855 -0.192 19003 5022 1 14 . 1 1 39 39 SER C C 39 174.730 174.730 175.363 -0.633 19003 5023 1 14 . 1 1 39 39 SER CA C 39 57.343 57.343 57.722 -0.379 19003 5024 1 14 . 1 1 39 39 SER CB C 39 64.879 64.879 64.634 0.245 19003 5025 1 14 . 1 1 39 39 SER H H 39 9.706 9.706 8.641 1.065 19003 5026 1 14 . 1 1 40 40 VAL N N 40 122.917 122.917 122.961 -0.044 19003 5027 1 14 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.258 0.410 19003 5028 1 14 . 1 1 40 40 VAL C C 40 177.187 177.187 177.087 0.100 19003 5029 1 14 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.325 1.048 19003 5030 1 14 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.094 -0.241 19003 5031 1 14 . 1 1 41 41 GLU N N 41 118.661 118.661 119.576 -0.915 19003 5032 1 14 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.760 0.055 19003 5033 1 14 . 1 1 41 41 GLU C C 41 179.108 179.108 178.372 0.736 19003 5034 1 14 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.637 0.097 19003 5035 1 14 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.728 0.160 19003 5036 1 14 . 1 1 41 41 GLU H H 41 8.725 8.725 8.644 0.081 19003 5037 1 14 . 1 1 42 42 ASP N N 42 120.291 120.291 118.855 1.436 19003 5038 1 14 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.321 0.103 19003 5039 1 14 . 1 1 42 42 ASP C C 42 179.703 179.703 178.246 1.457 19003 5040 1 14 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.900 -0.457 19003 5041 1 14 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.286 -0.279 19003 5042 1 14 . 1 1 42 42 ASP H H 42 7.979 7.979 8.293 -0.314 19003 5043 1 14 . 1 1 43 43 PHE N N 43 123.091 123.091 121.003 2.088 19003 5044 1 14 . 1 1 43 43 PHE HA H 43 4.010 4.010 3.979 0.031 19003 5045 1 14 . 1 1 43 43 PHE C C 43 175.459 175.459 176.523 -1.064 19003 5046 1 14 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.291 -0.143 19003 5047 1 14 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.141 0.592 19003 5048 1 14 . 1 1 43 43 PHE H H 43 8.656 8.656 7.432 1.224 19003 5049 1 14 . 1 1 44 44 LEU N N 44 119.965 119.965 118.592 1.373 19003 5050 1 14 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.661 -0.231 19003 5051 1 14 . 1 1 44 44 LEU C C 44 180.537 180.537 178.949 1.588 19003 5052 1 14 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.808 -0.092 19003 5053 1 14 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.707 0.518 19003 5054 1 14 . 1 1 44 44 LEU H H 44 8.702 8.702 8.693 0.009 19003 5055 1 14 . 1 1 45 45 MET N N 45 118.100 118.100 118.205 -0.105 19003 5056 1 14 . 1 1 45 45 MET HA H 45 4.117 4.117 3.997 0.120 19003 5057 1 14 . 1 1 45 45 MET C C 45 178.274 178.274 178.761 -0.487 19003 5058 1 14 . 1 1 45 45 MET CA C 45 58.421 58.421 59.214 -0.793 19003 5059 1 14 . 1 1 45 45 MET CB C 45 32.268 32.268 32.656 -0.388 19003 5060 1 14 . 1 1 45 45 MET H H 45 7.829 7.829 7.931 -0.102 19003 5061 1 14 . 1 1 46 46 LEU N N 46 123.359 123.359 118.969 4.390 19003 5062 1 14 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.726 0.116 19003 5063 1 14 . 1 1 46 46 LEU C C 46 176.531 176.531 179.138 -2.607 19003 5064 1 14 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.582 0.036 19003 5065 1 14 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.429 1.364 19003 5066 1 14 . 1 1 46 46 LEU H H 46 7.659 7.659 8.092 -0.433 19003 5067 1 14 . 1 1 47 47 ARG N N 47 118.271 118.271 116.157 2.114 19003 5068 1 14 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.859 -1.108 19003 5069 1 14 . 1 1 47 47 ARG C C 47 178.363 178.363 178.197 0.166 19003 5070 1 14 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.783 -0.779 19003 5071 1 14 . 1 1 47 47 ARG CB C 47 30.107 30.107 28.996 1.111 19003 5072 1 14 . 1 1 47 47 ARG H H 47 7.955 7.955 7.760 0.195 19003 5073 1 14 . 1 1 48 48 HIS N N 48 117.915 117.915 120.385 -2.470 19003 5074 1 14 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.059 0.166 19003 5075 1 14 . 1 1 48 48 HIS C C 48 177.097 177.097 177.496 -0.399 19003 5076 1 14 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.239 0.073 19003 5077 1 14 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.943 0.635 19003 5078 1 14 . 1 1 48 48 HIS H H 48 7.609 7.609 8.010 -0.401 19003 5079 1 14 . 1 1 49 49 ARG N N 49 116.831 116.831 118.190 -1.359 19003 5080 1 14 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.904 0.074 19003 5081 1 14 . 1 1 49 49 ARG C C 49 179.242 179.242 178.797 0.445 19003 5082 1 14 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.447 -0.388 19003 5083 1 14 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.974 -1.284 19003 5084 1 14 . 1 1 49 49 ARG H H 49 7.980 7.980 8.627 -0.647 19003 5085 1 14 . 1 1 50 50 ALA N N 50 122.916 122.916 122.657 0.259 19003 5086 1 14 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.144 -0.164 19003 5087 1 14 . 1 1 50 50 ALA C C 50 181.207 181.207 179.165 2.042 19003 5088 1 14 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.880 0.161 19003 5089 1 14 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.520 0.672 19003 5090 1 14 . 1 1 50 50 ALA H H 50 8.734 8.734 7.987 0.747 19003 5091 1 14 . 1 1 51 51 ALA N N 51 122.005 122.005 119.483 2.522 19003 5092 1 14 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.176 -0.063 19003 5093 1 14 . 1 1 51 51 ALA C C 51 179.033 179.033 179.329 -0.296 19003 5094 1 14 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.089 0.493 19003 5095 1 14 . 1 1 51 51 ALA CB C 51 18.019 18.019 19.168 -1.149 19003 5096 1 14 . 1 1 51 51 ALA H H 51 7.861 7.861 7.936 -0.075 19003 5097 1 14 . 1 1 52 52 LEU N N 52 117.205 117.205 117.986 -0.781 19003 5098 1 14 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.169 0.089 19003 5099 1 14 . 1 1 52 52 LEU C C 52 177.842 177.842 178.363 -0.521 19003 5100 1 14 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.535 -1.912 19003 5101 1 14 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.561 -0.952 19003 5102 1 14 . 1 1 52 52 LEU H H 52 7.277 7.277 8.389 -1.112 19003 5103 1 14 . 1 1 53 53 GLY N N 53 105.824 105.824 102.863 2.961 19003 5104 1 14 . 1 1 53 53 GLY C C 53 174.745 174.745 173.044 1.701 19003 5105 1 14 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.006 0.517 19003 5106 1 14 . 1 1 53 53 GLY H H 53 7.616 7.616 7.745 -0.129 19003 5107 1 14 . 1 1 54 54 ALA N N 54 122.086 122.086 123.128 -1.042 19003 5108 1 14 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.687 -0.460 19003 5109 1 14 . 1 1 54 54 ALA C C 54 178.035 178.035 175.427 2.608 19003 5110 1 14 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.042 2.398 19003 5111 1 14 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.329 -1.604 19003 5112 1 14 . 1 1 54 54 ALA H H 54 7.637 7.637 8.012 -0.375 19003 5113 1 14 . 1 1 55 55 ASP N N 55 118.303 118.303 122.161 -3.858 19003 5114 1 14 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.803 -0.057 19003 5115 1 14 . 1 1 55 55 ASP C C 55 176.129 176.129 174.779 1.350 19003 5116 1 14 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.669 -0.673 19003 5117 1 14 . 1 1 55 55 ASP CB C 55 41.342 41.342 41.896 -0.554 19003 5118 1 14 . 1 1 55 55 ASP H H 55 8.540 8.540 8.449 0.091 19003 5119 1 14 . 1 1 56 56 ASP N N 56 116.381 116.381 120.526 -4.145 19003 5120 1 14 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.606 0.007 19003 5121 1 14 . 1 1 56 56 ASP C C 56 175.638 175.638 177.548 -1.910 19003 5122 1 14 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.050 -0.521 19003 5123 1 14 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.308 -0.255 19003 5124 1 14 . 1 1 56 56 ASP H H 56 7.469 7.469 7.938 -0.469 19003 5125 1 14 . 1 1 57 57 ASN N N 57 118.913 118.913 124.817 -5.904 19003 5126 1 14 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.351 -0.020 19003 5127 1 14 . 1 1 57 57 ASN C C 57 176.963 176.963 176.740 0.223 19003 5128 1 14 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.293 1.061 19003 5129 1 14 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.220 1.076 19003 5130 1 14 . 1 1 57 57 ASN H H 57 9.033 9.033 8.902 0.131 19003 5131 1 14 . 1 1 58 58 ASP N N 58 117.610 117.610 120.637 -3.027 19003 5132 1 14 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.395 0.090 19003 5133 1 14 . 1 1 58 58 ASP C C 58 178.944 178.944 178.141 0.803 19003 5134 1 14 . 1 1 58 58 ASP CA C 58 57.621 57.621 56.954 0.667 19003 5135 1 14 . 1 1 58 58 ASP CB C 58 40.007 40.007 39.768 0.239 19003 5136 1 14 . 1 1 58 58 ASP H H 58 8.519 8.519 7.875 0.644 19003 5137 1 14 . 1 1 59 59 ALA N N 59 126.800 126.800 121.606 5.194 19003 5138 1 14 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.099 -0.121 19003 5139 1 14 . 1 1 59 59 ALA C C 59 178.974 178.974 179.585 -0.611 19003 5140 1 14 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.049 0.703 19003 5141 1 14 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.651 0.452 19003 5142 1 14 . 1 1 59 59 ALA H H 59 8.067 8.067 7.776 0.291 19003 5143 1 14 . 1 1 60 60 VAL N N 60 119.673 119.673 115.986 3.687 19003 5144 1 14 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.793 -0.204 19003 5145 1 14 . 1 1 60 60 VAL C C 60 179.934 179.934 177.822 2.112 19003 5146 1 14 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.869 0.876 19003 5147 1 14 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.742 0.379 19003 5148 1 14 . 1 1 61 61 LYS N N 61 119.673 119.673 120.719 -1.046 19003 5149 1 14 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.335 -0.133 19003 5150 1 14 . 1 1 61 61 LYS C C 61 180.135 180.135 179.269 0.866 19003 5151 1 14 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.037 0.400 19003 5152 1 14 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.206 0.150 19003 5153 1 14 . 1 1 61 61 LYS H H 61 8.383 8.383 8.697 -0.314 19003 5154 1 14 . 1 1 62 62 PHE N N 62 122.324 122.324 122.783 -0.459 19003 5155 1 14 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.388 -0.054 19003 5156 1 14 . 1 1 62 62 PHE C C 62 177.038 177.038 176.838 0.200 19003 5157 1 14 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.121 1.570 19003 5158 1 14 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.569 -0.362 19003 5159 1 14 . 1 1 62 62 PHE H H 62 8.510 8.510 8.149 0.361 19003 5160 1 14 . 1 1 63 63 ARG N N 63 119.741 119.741 120.788 -1.047 19003 5161 1 14 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.929 0.145 19003 5162 1 14 . 1 1 63 63 ARG C C 63 178.586 178.586 178.547 0.039 19003 5163 1 14 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.580 1.599 19003 5164 1 14 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.801 0.955 19003 5165 1 14 . 1 1 63 63 ARG H H 63 8.724 8.724 8.933 -0.209 19003 5166 1 14 . 1 1 64 64 SER N N 64 113.962 113.962 114.931 -0.969 19003 5167 1 14 . 1 1 64 64 SER HA H 64 4.324 4.324 4.179 0.145 19003 5168 1 14 . 1 1 64 64 SER C C 64 177.297 177.297 176.618 0.679 19003 5169 1 14 . 1 1 64 64 SER CA C 64 61.550 61.550 62.036 -0.486 19003 5170 1 14 . 1 1 64 64 SER CB C 64 62.316 62.316 62.348 -0.032 19003 5171 1 14 . 1 1 64 64 SER H H 64 8.224 8.224 8.712 -0.488 19003 5172 1 14 . 1 1 65 65 TRP N N 65 123.490 123.490 124.933 -1.443 19003 5173 1 14 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.422 -0.269 19003 5174 1 14 . 1 1 65 65 TRP C C 65 178.318 178.318 178.468 -0.150 19003 5175 1 14 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.840 0.872 19003 5176 1 14 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.307 -2.020 19003 5177 1 14 . 1 1 65 65 TRP H H 65 8.054 8.054 7.641 0.413 19003 5178 1 14 . 1 1 66 66 TRP N N 66 122.351 122.351 120.166 2.185 19003 5179 1 14 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.168 -0.080 19003 5180 1 14 . 1 1 66 66 TRP C C 66 178.959 178.959 176.586 2.373 19003 5181 1 14 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.768 1.485 19003 5182 1 14 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.479 0.031 19003 5183 1 14 . 1 1 66 66 TRP H H 66 9.333 9.333 8.826 0.507 19003 5184 1 14 . 1 1 67 67 ASN N N 67 115.529 115.529 115.588 -0.059 19003 5185 1 14 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.596 -0.220 19003 5186 1 14 . 1 1 67 67 ASN C C 67 176.591 176.591 175.279 1.312 19003 5187 1 14 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.852 0.456 19003 5188 1 14 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.561 -0.066 19003 5189 1 14 . 1 1 67 67 ASN H H 67 8.586 8.586 8.378 0.208 19003 5190 1 14 . 1 1 68 68 SER N N 68 114.677 114.677 113.831 0.846 19003 5191 1 14 . 1 1 68 68 SER HA H 68 4.332 4.332 4.415 -0.083 19003 5192 1 14 . 1 1 68 68 SER C C 68 174.581 174.581 174.283 0.298 19003 5193 1 14 . 1 1 68 68 SER CA C 68 59.578 59.578 59.870 -0.292 19003 5194 1 14 . 1 1 68 68 SER CB C 68 63.670 63.670 63.813 -0.143 19003 5195 1 14 . 1 1 68 68 SER H H 68 7.600 7.600 7.449 0.151 19003 5196 1 14 . 1 1 69 69 ARG N N 69 121.618 121.618 119.439 2.179 19003 5197 1 14 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.394 -0.515 19003 5198 1 14 . 1 1 69 69 ARG C C 69 176.963 176.963 177.354 -0.391 19003 5199 1 14 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.255 -0.168 19003 5200 1 14 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.692 -0.737 19003 5201 1 14 . 1 1 69 69 ARG H H 69 6.992 6.992 7.122 -0.130 19003 5202 1 14 . 1 1 70 70 THR N N 70 114.140 114.140 114.238 -0.098 19003 5203 1 14 . 1 1 70 70 THR HA H 70 4.030 4.030 3.965 0.065 19003 5204 1 14 . 1 1 70 70 THR C C 70 174.506 174.506 174.569 -0.063 19003 5205 1 14 . 1 1 70 70 THR CA C 70 62.513 62.513 62.742 -0.229 19003 5206 1 14 . 1 1 70 70 THR CB C 70 69.378 69.378 68.946 0.432 19003 5207 1 14 . 1 1 71 71 LYS N N 71 123.490 123.490 115.243 8.247 19003 5208 1 14 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.859 0.328 19003 5209 1 14 . 1 1 71 71 LYS C C 71 176.531 176.531 175.461 1.070 19003 5210 1 14 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.893 -0.607 19003 5211 1 14 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.616 2.009 19003 5212 1 14 . 1 1 71 71 LYS H H 71 8.051 8.051 7.776 0.275 19003 5213 1 14 . 1 1 72 72 MET N N 72 121.388 121.388 112.473 8.915 19003 5214 1 14 . 1 1 72 72 MET HA H 72 4.376 4.376 4.291 0.085 19003 5215 1 14 . 1 1 72 72 MET C C 72 176.115 176.115 175.946 0.169 19003 5216 1 14 . 1 1 72 72 MET CA C 72 55.397 55.397 57.422 -2.025 19003 5217 1 14 . 1 1 72 72 MET CB C 72 32.446 32.446 31.997 0.449 19003 5218 1 14 . 1 1 72 72 MET H H 72 8.305 8.305 7.123 1.182 19003 5219 1 14 . 1 1 73 73 ALA N N 73 124.890 124.890 120.918 3.972 19003 5220 1 14 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.778 -0.549 19003 5221 1 14 . 1 1 73 73 ALA C C 73 177.499 177.499 176.942 0.557 19003 5222 1 14 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.323 1.316 19003 5223 1 14 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.330 -1.227 19003 5224 1 14 . 1 1 73 73 ALA H H 73 8.272 8.272 8.500 -0.228 19003 5225 1 14 . 1 1 74 74 ASN N N 74 117.940 117.940 118.567 -0.627 19003 5226 1 14 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.337 0.293 19003 5227 1 14 . 1 1 74 74 ASN C C 74 174.893 174.893 174.094 0.799 19003 5228 1 14 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.955 -3.871 19003 5229 1 14 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.936 1.182 19003 5230 1 14 . 1 1 74 74 ASN H H 74 8.408 8.408 8.657 -0.249 19003 5231 1 14 . 1 1 75 75 ASP N N 75 120.439 120.439 119.888 0.551 19003 5232 1 14 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.854 -0.312 19003 5233 1 14 . 1 1 75 75 ASP C C 75 175.861 175.861 174.997 0.864 19003 5234 1 14 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.360 0.880 19003 5235 1 14 . 1 1 75 75 ASP CB C 75 41.075 41.075 42.041 -0.966 19003 5236 1 14 . 1 1 75 75 ASP H H 75 8.298 8.298 7.823 0.475 19003 5237 1 15 . 1 1 11 11 THR N N 11 114.405 114.405 122.879 -8.474 19003 5238 1 15 . 1 1 11 11 THR HA H 11 4.246 4.246 4.138 0.108 19003 5239 1 15 . 1 1 11 11 THR C C 11 174.586 174.586 173.958 0.628 19003 5240 1 15 . 1 1 11 11 THR CA C 11 62.246 62.246 61.167 1.079 19003 5241 1 15 . 1 1 11 11 THR CB C 11 69.310 69.310 67.736 1.574 19003 5242 1 15 . 1 1 12 12 TYR N N 12 123.008 123.008 121.110 1.898 19003 5243 1 15 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.157 0.238 19003 5244 1 15 . 1 1 12 12 TYR C C 12 176.070 176.070 174.599 1.471 19003 5245 1 15 . 1 1 12 12 TYR CA C 12 58.510 58.510 59.248 -0.738 19003 5246 1 15 . 1 1 12 12 TYR CB C 12 38.584 38.584 37.452 1.132 19003 5247 1 15 . 1 1 12 12 TYR H H 12 8.274 8.274 7.414 0.860 19003 5248 1 15 . 1 1 13 13 ARG N N 13 123.852 123.852 120.478 3.374 19003 5249 1 15 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.337 -0.087 19003 5250 1 15 . 1 1 13 13 ARG C C 13 176.829 176.829 176.217 0.612 19003 5251 1 15 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.885 0.490 19003 5252 1 15 . 1 1 13 13 ARG CB C 13 30.489 30.489 31.457 -0.968 19003 5253 1 15 . 1 1 13 13 ARG H H 13 8.371 8.371 8.432 -0.061 19003 5254 1 15 . 1 1 14 14 GLY N N 14 108.394 108.394 114.498 -6.104 19003 5255 1 15 . 1 1 14 14 GLY C C 14 173.911 173.911 175.178 -1.267 19003 5256 1 15 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.181 -1.014 19003 5257 1 15 . 1 1 14 14 GLY H H 14 7.646 7.646 8.895 -1.249 19003 5258 1 15 . 1 1 15 15 ARG N N 15 121.238 121.238 123.321 -2.083 19003 5259 1 15 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.239 0.027 19003 5260 1 15 . 1 1 15 15 ARG C C 15 177.053 177.053 176.602 0.451 19003 5261 1 15 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.020 2.266 19003 5262 1 15 . 1 1 15 15 ARG CB C 15 30.578 30.578 27.865 2.713 19003 5263 1 15 . 1 1 15 15 ARG H H 15 8.568 8.568 7.442 1.126 19003 5264 1 15 . 1 1 16 16 GLY N N 16 110.085 110.085 108.775 1.310 19003 5265 1 15 . 1 1 16 16 GLY C C 16 173.911 173.911 174.997 -1.086 19003 5266 1 15 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.302 0.221 19003 5267 1 15 . 1 1 16 16 GLY H H 16 8.525 8.525 7.896 0.629 19003 5268 1 15 . 1 1 17 17 VAL N N 17 119.300 119.300 115.381 3.919 19003 5269 1 15 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.027 0.022 19003 5270 1 15 . 1 1 17 17 VAL C C 17 175.147 175.147 175.626 -0.479 19003 5271 1 15 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.241 -1.351 19003 5272 1 15 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.224 0.489 19003 5273 1 15 . 1 1 18 18 ALA N N 18 128.131 128.131 129.871 -1.740 19003 5274 1 15 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.175 0.159 19003 5275 1 15 . 1 1 18 18 ALA C C 18 177.082 177.082 176.799 0.283 19003 5276 1 15 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.365 0.651 19003 5277 1 15 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.587 -0.573 19003 5278 1 15 . 1 1 18 18 ALA H H 18 8.367 8.367 8.190 0.177 19003 5279 1 15 . 1 1 19 19 LEU N N 19 122.503 122.503 116.996 5.507 19003 5280 1 15 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.106 0.532 19003 5281 1 15 . 1 1 19 19 LEU C C 19 177.058 177.058 176.405 0.653 19003 5282 1 15 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.560 -0.964 19003 5283 1 15 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.823 2.009 19003 5284 1 15 . 1 1 19 19 LEU H H 19 8.160 8.160 7.768 0.392 19003 5285 1 15 . 1 1 20 20 THR N N 20 115.199 115.199 115.068 0.131 19003 5286 1 15 . 1 1 20 20 THR HA H 20 4.524 4.524 4.235 0.289 19003 5287 1 15 . 1 1 20 20 THR C C 20 177.950 177.950 175.163 2.787 19003 5288 1 15 . 1 1 20 20 THR CA C 20 61.001 61.001 62.337 -1.336 19003 5289 1 15 . 1 1 20 20 THR CB C 20 70.697 70.697 70.504 0.193 19003 5290 1 15 . 1 1 21 21 ASP N N 21 121.413 121.413 122.469 -1.056 19003 5291 1 15 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.394 0.122 19003 5292 1 15 . 1 1 21 21 ASP C C 21 178.378 178.378 177.622 0.756 19003 5293 1 15 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.365 -0.568 19003 5294 1 15 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.302 -1.384 19003 5295 1 15 . 1 1 21 21 ASP H H 21 8.962 8.962 8.938 0.024 19003 5296 1 15 . 1 1 22 22 ASP N N 22 117.981 117.981 119.626 -1.645 19003 5297 1 15 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.502 0.054 19003 5298 1 15 . 1 1 22 22 ASP C C 22 178.869 178.869 178.390 0.479 19003 5299 1 15 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.321 0.388 19003 5300 1 15 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.105 -0.831 19003 5301 1 15 . 1 1 22 22 ASP H H 22 8.467 8.467 8.663 -0.196 19003 5302 1 15 . 1 1 23 23 GLU N N 23 120.900 120.900 120.126 0.774 19003 5303 1 15 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.279 -0.101 19003 5304 1 15 . 1 1 23 23 GLU C C 23 178.452 178.452 178.776 -0.324 19003 5305 1 15 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.502 0.165 19003 5306 1 15 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.408 1.280 19003 5307 1 15 . 1 1 23 23 GLU H H 23 7.933 7.933 8.782 -0.849 19003 5308 1 15 . 1 1 24 24 TYR N N 24 119.764 119.764 120.330 -0.566 19003 5309 1 15 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.950 0.373 19003 5310 1 15 . 1 1 24 24 TYR C C 24 177.589 177.589 177.670 -0.081 19003 5311 1 15 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.620 0.878 19003 5312 1 15 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.438 0.041 19003 5313 1 15 . 1 1 24 24 TYR H H 24 8.539 8.539 7.673 0.866 19003 5314 1 15 . 1 1 25 25 ASP N N 25 119.296 119.296 118.139 1.157 19003 5315 1 15 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.424 0.052 19003 5316 1 15 . 1 1 25 25 ASP C C 25 179.078 179.078 178.920 0.158 19003 5317 1 15 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.864 -0.332 19003 5318 1 15 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.773 -0.591 19003 5319 1 15 . 1 1 25 25 ASP H H 25 8.369 8.369 7.986 0.383 19003 5320 1 15 . 1 1 26 26 GLU N N 26 121.770 121.770 118.623 3.147 19003 5321 1 15 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.344 -0.139 19003 5322 1 15 . 1 1 26 26 GLU C C 26 177.514 177.514 178.817 -1.303 19003 5323 1 15 . 1 1 26 26 GLU CA C 26 59.400 59.400 57.981 1.419 19003 5324 1 15 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.226 1.551 19003 5325 1 15 . 1 1 26 26 GLU H H 26 8.356 8.356 8.537 -0.181 19003 5326 1 15 . 1 1 27 27 TRP N N 27 122.248 122.248 122.080 0.168 19003 5327 1 15 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.111 0.067 19003 5328 1 15 . 1 1 27 27 TRP C C 27 177.873 177.873 177.223 0.650 19003 5329 1 15 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.726 -0.841 19003 5330 1 15 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.362 2.216 19003 5331 1 15 . 1 1 27 27 TRP H H 27 8.314 8.314 8.096 0.218 19003 5332 1 15 . 1 1 28 28 ARG N N 28 117.274 117.274 117.583 -0.309 19003 5333 1 15 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.107 -0.037 19003 5334 1 15 . 1 1 28 28 ARG C C 28 179.775 179.775 178.398 1.377 19003 5335 1 15 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.372 -0.951 19003 5336 1 15 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.536 0.198 19003 5337 1 15 . 1 1 28 28 ARG H H 28 7.974 7.974 7.399 0.575 19003 5338 1 15 . 1 1 29 29 GLU N N 29 121.770 121.770 119.723 2.047 19003 5339 1 15 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.054 -0.006 19003 5340 1 15 . 1 1 29 29 GLU C C 29 178.720 178.720 177.684 1.036 19003 5341 1 15 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.013 -0.058 19003 5342 1 15 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.802 -0.291 19003 5343 1 15 . 1 1 29 29 GLU H H 29 8.591 8.591 7.620 0.971 19003 5344 1 15 . 1 1 30 30 HIS N N 30 121.863 121.863 120.360 1.503 19003 5345 1 15 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.275 -1.140 19003 5346 1 15 . 1 1 30 30 HIS C C 30 176.308 176.308 177.404 -1.096 19003 5347 1 15 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.239 1.014 19003 5348 1 15 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.134 -2.264 19003 5349 1 15 . 1 1 30 30 HIS H H 30 8.723 8.723 8.603 0.120 19003 5350 1 15 . 1 1 31 31 ASN N N 31 117.257 117.257 117.687 -0.430 19003 5351 1 15 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.049 0.007 19003 5352 1 15 . 1 1 31 31 ASN C C 31 178.035 178.035 176.859 1.176 19003 5353 1 15 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.252 -1.073 19003 5354 1 15 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.298 -1.476 19003 5355 1 15 . 1 1 31 31 ASN H H 31 7.405 7.405 8.143 -0.738 19003 5356 1 15 . 1 1 32 32 ALA N N 32 120.650 120.650 121.706 -1.056 19003 5357 1 15 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.952 0.113 19003 5358 1 15 . 1 1 32 32 ALA C C 32 180.463 180.463 180.385 0.078 19003 5359 1 15 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.874 -0.189 19003 5360 1 15 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.375 -0.162 19003 5361 1 15 . 1 1 32 32 ALA H H 32 7.905 7.905 7.241 0.664 19003 5362 1 15 . 1 1 33 33 SER N N 33 112.890 112.890 114.672 -1.782 19003 5363 1 15 . 1 1 33 33 SER HA H 33 4.205 4.205 4.317 -0.112 19003 5364 1 15 . 1 1 33 33 SER CA C 33 61.074 61.074 60.789 0.285 19003 5365 1 15 . 1 1 33 33 SER CB C 33 63.834 63.834 63.558 0.276 19003 5366 1 15 . 1 1 33 33 SER H H 33 8.569 8.569 8.737 -0.168 19003 5367 1 15 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.155 0.006 19003 5368 1 15 . 1 1 34 34 ARG C C 34 174.641 174.641 175.859 -1.218 19003 5369 1 15 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.672 1.347 19003 5370 1 15 . 1 1 35 35 LYS N N 35 117.509 117.509 115.705 1.804 19003 5371 1 15 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.952 -0.064 19003 5372 1 15 . 1 1 35 35 LYS C C 35 175.501 175.501 176.233 -0.732 19003 5373 1 15 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.044 0.043 19003 5374 1 15 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.853 -1.143 19003 5375 1 15 . 1 1 35 35 LYS H H 35 7.492 7.492 7.969 -0.477 19003 5376 1 15 . 1 1 36 36 LEU N N 36 118.727 118.727 115.914 2.813 19003 5377 1 15 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.537 0.058 19003 5378 1 15 . 1 1 36 36 LEU C C 36 175.281 175.281 176.017 -0.736 19003 5379 1 15 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.658 0.133 19003 5380 1 15 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.470 2.904 19003 5381 1 15 . 1 1 36 36 LEU H H 36 8.165 8.165 7.126 1.039 19003 5382 1 15 . 1 1 37 37 ASP N N 37 121.035 121.035 119.269 1.766 19003 5383 1 15 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.617 0.123 19003 5384 1 15 . 1 1 37 37 ASP C C 37 175.921 175.921 175.711 0.210 19003 5385 1 15 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.420 -0.629 19003 5386 1 15 . 1 1 37 37 ASP CB C 37 41.300 41.300 40.995 0.305 19003 5387 1 15 . 1 1 37 37 ASP H H 37 8.403 8.403 8.214 0.189 19003 5388 1 15 . 1 1 38 38 LEU N N 38 119.070 119.070 117.373 1.697 19003 5389 1 15 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.578 0.083 19003 5390 1 15 . 1 1 38 38 LEU C C 38 180.209 180.209 176.305 3.904 19003 5391 1 15 . 1 1 38 38 LEU CA C 38 55.308 55.308 55.315 -0.007 19003 5392 1 15 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.126 0.084 19003 5393 1 15 . 1 1 38 38 LEU H H 38 7.515 7.515 7.658 -0.143 19003 5394 1 15 . 1 1 39 39 SER N N 39 122.093 122.093 116.414 5.679 19003 5395 1 15 . 1 1 39 39 SER HA H 39 4.663 4.663 4.915 -0.252 19003 5396 1 15 . 1 1 39 39 SER C C 39 174.730 174.730 175.411 -0.681 19003 5397 1 15 . 1 1 39 39 SER CA C 39 57.343 57.343 57.478 -0.135 19003 5398 1 15 . 1 1 39 39 SER CB C 39 64.879 64.879 64.213 0.666 19003 5399 1 15 . 1 1 39 39 SER H H 39 9.706 9.706 8.280 1.426 19003 5400 1 15 . 1 1 40 40 VAL N N 40 122.917 122.917 123.433 -0.516 19003 5401 1 15 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.226 0.442 19003 5402 1 15 . 1 1 40 40 VAL C C 40 177.187 177.187 177.097 0.090 19003 5403 1 15 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.722 0.649 19003 5404 1 15 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.061 -0.208 19003 5405 1 15 . 1 1 41 41 GLU N N 41 118.661 118.661 119.210 -0.549 19003 5406 1 15 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.721 0.094 19003 5407 1 15 . 1 1 41 41 GLU C C 41 179.108 179.108 178.157 0.951 19003 5408 1 15 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.565 0.169 19003 5409 1 15 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.582 0.306 19003 5410 1 15 . 1 1 41 41 GLU H H 41 8.725 8.725 8.662 0.063 19003 5411 1 15 . 1 1 42 42 ASP N N 42 120.291 120.291 118.294 1.997 19003 5412 1 15 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.319 0.105 19003 5413 1 15 . 1 1 42 42 ASP C C 42 179.703 179.703 178.466 1.237 19003 5414 1 15 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.633 -0.190 19003 5415 1 15 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.275 -0.268 19003 5416 1 15 . 1 1 42 42 ASP H H 42 7.979 7.979 8.544 -0.565 19003 5417 1 15 . 1 1 43 43 PHE N N 43 123.091 123.091 121.371 1.720 19003 5418 1 15 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.072 -0.062 19003 5419 1 15 . 1 1 43 43 PHE C C 43 175.459 175.459 176.650 -1.191 19003 5420 1 15 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.764 0.384 19003 5421 1 15 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.055 0.678 19003 5422 1 15 . 1 1 43 43 PHE H H 43 8.656 8.656 7.221 1.435 19003 5423 1 15 . 1 1 44 44 LEU N N 44 119.965 119.965 118.731 1.234 19003 5424 1 15 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.735 -0.305 19003 5425 1 15 . 1 1 44 44 LEU C C 44 180.537 180.537 179.017 1.520 19003 5426 1 15 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.799 -0.083 19003 5427 1 15 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.756 0.469 19003 5428 1 15 . 1 1 44 44 LEU H H 44 8.702 8.702 8.743 -0.041 19003 5429 1 15 . 1 1 45 45 MET N N 45 118.100 118.100 118.507 -0.407 19003 5430 1 15 . 1 1 45 45 MET HA H 45 4.117 4.117 3.964 0.153 19003 5431 1 15 . 1 1 45 45 MET C C 45 178.274 178.274 178.753 -0.479 19003 5432 1 15 . 1 1 45 45 MET CA C 45 58.421 58.421 59.282 -0.861 19003 5433 1 15 . 1 1 45 45 MET CB C 45 32.268 32.268 32.721 -0.453 19003 5434 1 15 . 1 1 45 45 MET H H 45 7.829 7.829 8.102 -0.273 19003 5435 1 15 . 1 1 46 46 LEU N N 46 123.359 123.359 118.661 4.698 19003 5436 1 15 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.744 0.098 19003 5437 1 15 . 1 1 46 46 LEU C C 46 176.531 176.531 179.122 -2.591 19003 5438 1 15 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.580 0.039 19003 5439 1 15 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.552 1.241 19003 5440 1 15 . 1 1 46 46 LEU H H 46 7.659 7.659 8.081 -0.422 19003 5441 1 15 . 1 1 47 47 ARG N N 47 118.271 118.271 115.926 2.345 19003 5442 1 15 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.914 -1.163 19003 5443 1 15 . 1 1 47 47 ARG C C 47 178.363 178.363 178.095 0.268 19003 5444 1 15 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.621 -0.617 19003 5445 1 15 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.053 1.054 19003 5446 1 15 . 1 1 47 47 ARG H H 47 7.955 7.955 7.845 0.110 19003 5447 1 15 . 1 1 48 48 HIS N N 48 117.915 117.915 120.683 -2.768 19003 5448 1 15 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.023 0.202 19003 5449 1 15 . 1 1 48 48 HIS C C 48 177.097 177.097 177.389 -0.292 19003 5450 1 15 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.562 -0.251 19003 5451 1 15 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.996 0.582 19003 5452 1 15 . 1 1 48 48 HIS H H 48 7.609 7.609 8.222 -0.613 19003 5453 1 15 . 1 1 49 49 ARG N N 49 116.831 116.831 117.955 -1.124 19003 5454 1 15 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.907 0.071 19003 5455 1 15 . 1 1 49 49 ARG C C 49 179.242 179.242 178.819 0.423 19003 5456 1 15 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.563 -0.504 19003 5457 1 15 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.963 -1.273 19003 5458 1 15 . 1 1 49 49 ARG H H 49 7.980 7.980 8.698 -0.718 19003 5459 1 15 . 1 1 50 50 ALA N N 50 122.916 122.916 122.403 0.513 19003 5460 1 15 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.126 -0.146 19003 5461 1 15 . 1 1 50 50 ALA C C 50 181.207 181.207 179.316 1.891 19003 5462 1 15 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.775 0.266 19003 5463 1 15 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.455 0.737 19003 5464 1 15 . 1 1 50 50 ALA H H 50 8.734 8.734 7.533 1.201 19003 5465 1 15 . 1 1 51 51 ALA N N 51 122.005 122.005 120.305 1.700 19003 5466 1 15 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.087 0.026 19003 5467 1 15 . 1 1 51 51 ALA C C 51 179.033 179.033 179.339 -0.306 19003 5468 1 15 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.340 0.242 19003 5469 1 15 . 1 1 51 51 ALA CB C 51 18.019 18.019 19.071 -1.052 19003 5470 1 15 . 1 1 51 51 ALA H H 51 7.861 7.861 8.026 -0.165 19003 5471 1 15 . 1 1 52 52 LEU N N 52 117.205 117.205 116.953 0.252 19003 5472 1 15 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.360 -0.102 19003 5473 1 15 . 1 1 52 52 LEU C C 52 177.842 177.842 178.253 -0.411 19003 5474 1 15 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.298 -1.675 19003 5475 1 15 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.670 -1.061 19003 5476 1 15 . 1 1 52 52 LEU H H 52 7.277 7.277 8.610 -1.333 19003 5477 1 15 . 1 1 53 53 GLY N N 53 105.824 105.824 103.035 2.789 19003 5478 1 15 . 1 1 53 53 GLY C C 53 174.745 174.745 173.065 1.680 19003 5479 1 15 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.992 0.531 19003 5480 1 15 . 1 1 53 53 GLY H H 53 7.616 7.616 7.753 -0.137 19003 5481 1 15 . 1 1 54 54 ALA N N 54 122.086 122.086 123.072 -0.986 19003 5482 1 15 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.671 -0.444 19003 5483 1 15 . 1 1 54 54 ALA C C 54 178.035 178.035 175.683 2.352 19003 5484 1 15 . 1 1 54 54 ALA CA C 54 53.440 53.440 50.984 2.456 19003 5485 1 15 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.105 -1.380 19003 5486 1 15 . 1 1 54 54 ALA H H 54 7.637 7.637 7.987 -0.350 19003 5487 1 15 . 1 1 55 55 ASP N N 55 118.303 118.303 121.400 -3.097 19003 5488 1 15 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.784 -0.038 19003 5489 1 15 . 1 1 55 55 ASP C C 55 176.129 176.129 174.941 1.188 19003 5490 1 15 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.450 -0.455 19003 5491 1 15 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.288 -0.946 19003 5492 1 15 . 1 1 55 55 ASP H H 55 8.540 8.540 8.465 0.075 19003 5493 1 15 . 1 1 56 56 ASP N N 56 116.381 116.381 121.304 -4.923 19003 5494 1 15 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.606 0.007 19003 5495 1 15 . 1 1 56 56 ASP C C 56 175.638 175.638 177.732 -2.094 19003 5496 1 15 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.058 -0.529 19003 5497 1 15 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.361 -0.308 19003 5498 1 15 . 1 1 56 56 ASP H H 56 7.469 7.469 8.018 -0.549 19003 5499 1 15 . 1 1 57 57 ASN N N 57 118.913 118.913 125.085 -6.172 19003 5500 1 15 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.336 -0.005 19003 5501 1 15 . 1 1 57 57 ASN C C 57 176.963 176.963 176.749 0.214 19003 5502 1 15 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.323 1.031 19003 5503 1 15 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.137 1.159 19003 5504 1 15 . 1 1 57 57 ASN H H 57 9.033 9.033 8.909 0.124 19003 5505 1 15 . 1 1 58 58 ASP N N 58 117.610 117.610 120.541 -2.931 19003 5506 1 15 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.423 0.062 19003 5507 1 15 . 1 1 58 58 ASP C C 58 178.944 178.944 178.206 0.738 19003 5508 1 15 . 1 1 58 58 ASP CA C 58 57.621 57.621 56.888 0.733 19003 5509 1 15 . 1 1 58 58 ASP CB C 58 40.007 40.007 39.673 0.334 19003 5510 1 15 . 1 1 58 58 ASP H H 58 8.519 8.519 8.135 0.384 19003 5511 1 15 . 1 1 59 59 ALA N N 59 126.800 126.800 121.718 5.082 19003 5512 1 15 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.128 -0.150 19003 5513 1 15 . 1 1 59 59 ALA C C 59 178.974 178.974 179.528 -0.554 19003 5514 1 15 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.038 0.715 19003 5515 1 15 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.657 0.446 19003 5516 1 15 . 1 1 59 59 ALA H H 59 8.067 8.067 7.718 0.349 19003 5517 1 15 . 1 1 60 60 VAL N N 60 119.673 119.673 115.932 3.741 19003 5518 1 15 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.735 -0.146 19003 5519 1 15 . 1 1 60 60 VAL C C 60 179.934 179.934 177.443 2.491 19003 5520 1 15 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.061 0.684 19003 5521 1 15 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.716 0.405 19003 5522 1 15 . 1 1 61 61 LYS N N 61 119.673 119.673 120.345 -0.672 19003 5523 1 15 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.350 -0.148 19003 5524 1 15 . 1 1 61 61 LYS C C 61 180.135 180.135 179.422 0.713 19003 5525 1 15 . 1 1 61 61 LYS CA C 61 59.437 59.437 58.819 0.619 19003 5526 1 15 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.211 0.146 19003 5527 1 15 . 1 1 61 61 LYS H H 61 8.383 8.383 8.700 -0.317 19003 5528 1 15 . 1 1 62 62 PHE N N 62 122.324 122.324 122.782 -0.458 19003 5529 1 15 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.385 -0.051 19003 5530 1 15 . 1 1 62 62 PHE C C 62 177.038 177.038 176.800 0.238 19003 5531 1 15 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.173 1.518 19003 5532 1 15 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.550 -0.343 19003 5533 1 15 . 1 1 62 62 PHE H H 62 8.510 8.510 8.003 0.507 19003 5534 1 15 . 1 1 63 63 ARG N N 63 119.741 119.741 120.635 -0.894 19003 5535 1 15 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.908 0.166 19003 5536 1 15 . 1 1 63 63 ARG C C 63 178.586 178.586 178.338 0.248 19003 5537 1 15 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.474 1.705 19003 5538 1 15 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.827 0.929 19003 5539 1 15 . 1 1 63 63 ARG H H 63 8.724 8.724 8.904 -0.180 19003 5540 1 15 . 1 1 64 64 SER N N 64 113.962 113.962 114.703 -0.741 19003 5541 1 15 . 1 1 64 64 SER HA H 64 4.324 4.324 4.172 0.152 19003 5542 1 15 . 1 1 64 64 SER C C 64 177.297 177.297 176.425 0.872 19003 5543 1 15 . 1 1 64 64 SER CA C 64 61.550 61.550 61.755 -0.205 19003 5544 1 15 . 1 1 64 64 SER CB C 64 62.316 62.316 62.765 -0.449 19003 5545 1 15 . 1 1 64 64 SER H H 64 8.224 8.224 8.668 -0.444 19003 5546 1 15 . 1 1 65 65 TRP N N 65 123.490 123.490 123.841 -0.351 19003 5547 1 15 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.428 -0.275 19003 5548 1 15 . 1 1 65 65 TRP C C 65 178.318 178.318 178.475 -0.157 19003 5549 1 15 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.189 1.523 19003 5550 1 15 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.703 -2.416 19003 5551 1 15 . 1 1 65 65 TRP H H 65 8.054 8.054 7.674 0.380 19003 5552 1 15 . 1 1 66 66 TRP N N 66 122.351 122.351 120.610 1.741 19003 5553 1 15 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.145 -0.057 19003 5554 1 15 . 1 1 66 66 TRP C C 66 178.959 178.959 176.702 2.257 19003 5555 1 15 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.802 1.451 19003 5556 1 15 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.503 0.007 19003 5557 1 15 . 1 1 66 66 TRP H H 66 9.333 9.333 8.832 0.501 19003 5558 1 15 . 1 1 67 67 ASN N N 67 115.529 115.529 115.644 -0.115 19003 5559 1 15 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.597 -0.221 19003 5560 1 15 . 1 1 67 67 ASN C C 67 176.591 176.591 175.485 1.106 19003 5561 1 15 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.908 0.400 19003 5562 1 15 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.640 -0.145 19003 5563 1 15 . 1 1 67 67 ASN H H 67 8.586 8.586 8.359 0.227 19003 5564 1 15 . 1 1 68 68 SER N N 68 114.677 114.677 114.108 0.569 19003 5565 1 15 . 1 1 68 68 SER HA H 68 4.332 4.332 4.389 -0.057 19003 5566 1 15 . 1 1 68 68 SER C C 68 174.581 174.581 174.313 0.268 19003 5567 1 15 . 1 1 68 68 SER CA C 68 59.578 59.578 60.008 -0.430 19003 5568 1 15 . 1 1 68 68 SER CB C 68 63.670 63.670 63.737 -0.068 19003 5569 1 15 . 1 1 68 68 SER H H 68 7.600 7.600 7.510 0.090 19003 5570 1 15 . 1 1 69 69 ARG N N 69 121.618 121.618 119.141 2.477 19003 5571 1 15 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.410 -0.531 19003 5572 1 15 . 1 1 69 69 ARG C C 69 176.963 176.963 177.122 -0.159 19003 5573 1 15 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.260 -0.173 19003 5574 1 15 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.733 -0.778 19003 5575 1 15 . 1 1 69 69 ARG H H 69 6.992 6.992 7.174 -0.182 19003 5576 1 15 . 1 1 70 70 THR N N 70 114.140 114.140 114.344 -0.204 19003 5577 1 15 . 1 1 70 70 THR HA H 70 4.030 4.030 4.006 0.024 19003 5578 1 15 . 1 1 70 70 THR C C 70 174.506 174.506 174.554 -0.048 19003 5579 1 15 . 1 1 70 70 THR CA C 70 62.513 62.513 62.509 0.004 19003 5580 1 15 . 1 1 70 70 THR CB C 70 69.378 69.378 69.281 0.097 19003 5581 1 15 . 1 1 71 71 LYS N N 71 123.490 123.490 116.667 6.823 19003 5582 1 15 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.858 0.329 19003 5583 1 15 . 1 1 71 71 LYS C C 71 176.531 176.531 175.517 1.014 19003 5584 1 15 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.565 -0.279 19003 5585 1 15 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.546 2.078 19003 5586 1 15 . 1 1 71 71 LYS H H 71 8.051 8.051 7.836 0.215 19003 5587 1 15 . 1 1 72 72 MET N N 72 121.388 121.388 113.225 8.163 19003 5588 1 15 . 1 1 72 72 MET HA H 72 4.376 4.376 4.630 -0.254 19003 5589 1 15 . 1 1 72 72 MET C C 72 176.115 176.115 175.386 0.729 19003 5590 1 15 . 1 1 72 72 MET CA C 72 55.397 55.397 57.205 -1.808 19003 5591 1 15 . 1 1 72 72 MET CB C 72 32.446 32.446 32.136 0.310 19003 5592 1 15 . 1 1 72 72 MET H H 72 8.305 8.305 7.219 1.086 19003 5593 1 15 . 1 1 73 73 ALA N N 73 124.890 124.890 120.859 4.031 19003 5594 1 15 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.935 -0.706 19003 5595 1 15 . 1 1 73 73 ALA C C 73 177.499 177.499 177.874 -0.375 19003 5596 1 15 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.761 0.878 19003 5597 1 15 . 1 1 73 73 ALA CB C 73 19.103 19.103 19.782 -0.679 19003 5598 1 15 . 1 1 73 73 ALA H H 73 8.272 8.272 8.584 -0.312 19003 5599 1 15 . 1 1 74 74 ASN N N 74 117.940 117.940 119.744 -1.804 19003 5600 1 15 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.411 0.219 19003 5601 1 15 . 1 1 74 74 ASN C C 74 174.893 174.893 174.962 -0.069 19003 5602 1 15 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.653 -3.569 19003 5603 1 15 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.076 1.042 19003 5604 1 15 . 1 1 74 74 ASN H H 74 8.408 8.408 9.079 -0.671 19003 5605 1 15 . 1 1 75 75 ASP N N 75 120.439 120.439 116.146 4.293 19003 5606 1 15 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.722 -0.180 19003 5607 1 15 . 1 1 75 75 ASP C C 75 175.861 175.861 175.922 -0.061 19003 5608 1 15 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.334 0.906 19003 5609 1 15 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.916 0.159 19003 5610 1 15 . 1 1 75 75 ASP H H 75 8.298 8.298 8.043 0.255 19003 5611 1 16 . 1 1 11 11 THR N N 11 114.405 114.405 115.212 -0.807 19003 5612 1 16 . 1 1 11 11 THR HA H 11 4.246 4.246 4.226 0.020 19003 5613 1 16 . 1 1 11 11 THR C C 11 174.586 174.586 172.606 1.980 19003 5614 1 16 . 1 1 11 11 THR CA C 11 62.246 62.246 60.327 1.919 19003 5615 1 16 . 1 1 11 11 THR CB C 11 69.310 69.310 70.913 -1.603 19003 5616 1 16 . 1 1 12 12 TYR N N 12 123.008 123.008 119.510 3.498 19003 5617 1 16 . 1 1 12 12 TYR HA H 12 4.395 4.395 5.081 -0.686 19003 5618 1 16 . 1 1 12 12 TYR C C 12 176.070 176.070 174.337 1.733 19003 5619 1 16 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.431 2.079 19003 5620 1 16 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.781 -2.197 19003 5621 1 16 . 1 1 12 12 TYR H H 12 8.274 8.274 8.224 0.050 19003 5622 1 16 . 1 1 13 13 ARG N N 13 123.852 123.852 119.115 4.737 19003 5623 1 16 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.420 -0.170 19003 5624 1 16 . 1 1 13 13 ARG C C 13 176.829 176.829 176.660 0.169 19003 5625 1 16 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.615 0.760 19003 5626 1 16 . 1 1 13 13 ARG CB C 13 30.489 30.489 33.237 -2.748 19003 5627 1 16 . 1 1 13 13 ARG H H 13 8.371 8.371 8.655 -0.284 19003 5628 1 16 . 1 1 14 14 GLY N N 14 108.394 108.394 114.492 -6.098 19003 5629 1 16 . 1 1 14 14 GLY C C 14 173.911 173.911 175.043 -1.132 19003 5630 1 16 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.449 -1.282 19003 5631 1 16 . 1 1 14 14 GLY H H 14 7.646 7.646 8.798 -1.152 19003 5632 1 16 . 1 1 15 15 ARG N N 15 121.238 121.238 124.529 -3.291 19003 5633 1 16 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.243 0.023 19003 5634 1 16 . 1 1 15 15 ARG C C 15 177.053 177.053 176.763 0.290 19003 5635 1 16 . 1 1 15 15 ARG CA C 15 56.286 56.286 53.808 2.478 19003 5636 1 16 . 1 1 15 15 ARG CB C 15 30.578 30.578 28.073 2.506 19003 5637 1 16 . 1 1 15 15 ARG H H 15 8.568 8.568 7.733 0.835 19003 5638 1 16 . 1 1 16 16 GLY N N 16 110.085 110.085 108.367 1.718 19003 5639 1 16 . 1 1 16 16 GLY C C 16 173.911 173.911 174.885 -0.974 19003 5640 1 16 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.382 0.141 19003 5641 1 16 . 1 1 16 16 GLY H H 16 8.525 8.525 7.923 0.602 19003 5642 1 16 . 1 1 17 17 VAL N N 17 119.300 119.300 115.512 3.788 19003 5643 1 16 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.998 0.051 19003 5644 1 16 . 1 1 17 17 VAL C C 17 175.147 175.147 175.762 -0.615 19003 5645 1 16 . 1 1 17 17 VAL CA C 17 61.890 61.890 63.330 -1.440 19003 5646 1 16 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.377 0.336 19003 5647 1 16 . 1 1 18 18 ALA N N 18 128.131 128.131 129.826 -1.695 19003 5648 1 16 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.152 0.182 19003 5649 1 16 . 1 1 18 18 ALA C C 18 177.082 177.082 176.840 0.242 19003 5650 1 16 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.766 0.250 19003 5651 1 16 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.456 -0.442 19003 5652 1 16 . 1 1 18 18 ALA H H 18 8.367 8.367 8.301 0.066 19003 5653 1 16 . 1 1 19 19 LEU N N 19 122.503 122.503 117.823 4.680 19003 5654 1 16 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.108 0.530 19003 5655 1 16 . 1 1 19 19 LEU C C 19 177.058 177.058 176.370 0.688 19003 5656 1 16 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.725 -1.129 19003 5657 1 16 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.740 2.092 19003 5658 1 16 . 1 1 19 19 LEU H H 19 8.160 8.160 7.607 0.553 19003 5659 1 16 . 1 1 20 20 THR N N 20 115.199 115.199 114.731 0.468 19003 5660 1 16 . 1 1 20 20 THR HA H 20 4.524 4.524 4.192 0.332 19003 5661 1 16 . 1 1 20 20 THR C C 20 177.950 177.950 175.170 2.780 19003 5662 1 16 . 1 1 20 20 THR CA C 20 61.001 61.001 62.402 -1.401 19003 5663 1 16 . 1 1 20 20 THR CB C 20 70.697 70.697 70.015 0.682 19003 5664 1 16 . 1 1 21 21 ASP N N 21 121.413 121.413 121.614 -0.201 19003 5665 1 16 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.436 0.080 19003 5666 1 16 . 1 1 21 21 ASP C C 21 178.378 178.378 177.760 0.618 19003 5667 1 16 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.648 0.150 19003 5668 1 16 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.255 -1.337 19003 5669 1 16 . 1 1 21 21 ASP H H 21 8.962 8.962 9.015 -0.053 19003 5670 1 16 . 1 1 22 22 ASP N N 22 117.981 117.981 119.650 -1.669 19003 5671 1 16 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.476 0.080 19003 5672 1 16 . 1 1 22 22 ASP C C 22 178.869 178.869 178.389 0.480 19003 5673 1 16 . 1 1 22 22 ASP CA C 22 57.709 57.709 58.055 -0.346 19003 5674 1 16 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.913 -0.639 19003 5675 1 16 . 1 1 22 22 ASP H H 22 8.467 8.467 8.741 -0.274 19003 5676 1 16 . 1 1 23 23 GLU N N 23 120.900 120.900 120.117 0.783 19003 5677 1 16 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.278 -0.100 19003 5678 1 16 . 1 1 23 23 GLU C C 23 178.452 178.452 178.749 -0.297 19003 5679 1 16 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.237 0.430 19003 5680 1 16 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.258 1.430 19003 5681 1 16 . 1 1 23 23 GLU H H 23 7.933 7.933 8.808 -0.875 19003 5682 1 16 . 1 1 24 24 TYR N N 24 119.764 119.764 120.199 -0.435 19003 5683 1 16 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.941 0.382 19003 5684 1 16 . 1 1 24 24 TYR C C 24 177.589 177.589 177.702 -0.113 19003 5685 1 16 . 1 1 24 24 TYR CA C 24 62.498 62.498 62.045 0.453 19003 5686 1 16 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.364 0.115 19003 5687 1 16 . 1 1 24 24 TYR H H 24 8.539 8.539 7.611 0.928 19003 5688 1 16 . 1 1 25 25 ASP N N 25 119.296 119.296 117.957 1.339 19003 5689 1 16 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.514 -0.038 19003 5690 1 16 . 1 1 25 25 ASP C C 25 179.078 179.078 178.866 0.212 19003 5691 1 16 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.542 -0.010 19003 5692 1 16 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.659 -0.478 19003 5693 1 16 . 1 1 25 25 ASP H H 25 8.369 8.369 8.312 0.057 19003 5694 1 16 . 1 1 26 26 GLU N N 26 121.770 121.770 119.233 2.537 19003 5695 1 16 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.295 -0.090 19003 5696 1 16 . 1 1 26 26 GLU C C 26 177.514 177.514 178.758 -1.244 19003 5697 1 16 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.397 1.003 19003 5698 1 16 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.402 1.375 19003 5699 1 16 . 1 1 26 26 GLU H H 26 8.356 8.356 8.601 -0.245 19003 5700 1 16 . 1 1 27 27 TRP N N 27 122.248 122.248 122.127 0.121 19003 5701 1 16 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.195 -0.017 19003 5702 1 16 . 1 1 27 27 TRP C C 27 177.873 177.873 177.292 0.581 19003 5703 1 16 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.646 -0.761 19003 5704 1 16 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.405 2.173 19003 5705 1 16 . 1 1 27 27 TRP H H 27 8.314 8.314 8.073 0.241 19003 5706 1 16 . 1 1 28 28 ARG N N 28 117.274 117.274 117.350 -0.076 19003 5707 1 16 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.094 -0.024 19003 5708 1 16 . 1 1 28 28 ARG C C 28 179.775 179.775 178.521 1.254 19003 5709 1 16 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.467 -1.046 19003 5710 1 16 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.129 0.605 19003 5711 1 16 . 1 1 28 28 ARG H H 28 7.974 7.974 7.296 0.678 19003 5712 1 16 . 1 1 29 29 GLU N N 29 121.770 121.770 119.501 2.269 19003 5713 1 16 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.093 -0.044 19003 5714 1 16 . 1 1 29 29 GLU C C 29 178.720 178.720 178.396 0.324 19003 5715 1 16 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.180 -0.225 19003 5716 1 16 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.799 -0.288 19003 5717 1 16 . 1 1 29 29 GLU H H 29 8.591 8.591 7.631 0.960 19003 5718 1 16 . 1 1 30 30 HIS N N 30 121.863 121.863 119.483 2.380 19003 5719 1 16 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.327 -1.192 19003 5720 1 16 . 1 1 30 30 HIS C C 30 176.308 176.308 177.519 -1.211 19003 5721 1 16 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.356 0.897 19003 5722 1 16 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.120 -2.251 19003 5723 1 16 . 1 1 30 30 HIS H H 30 8.723 8.723 8.620 0.103 19003 5724 1 16 . 1 1 31 31 ASN N N 31 117.257 117.257 117.531 -0.274 19003 5725 1 16 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.030 0.026 19003 5726 1 16 . 1 1 31 31 ASN C C 31 178.035 178.035 176.844 1.191 19003 5727 1 16 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.134 -0.955 19003 5728 1 16 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.122 -1.299 19003 5729 1 16 . 1 1 31 31 ASN H H 31 7.405 7.405 8.227 -0.822 19003 5730 1 16 . 1 1 32 32 ALA N N 32 120.650 120.650 121.134 -0.484 19003 5731 1 16 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.956 0.109 19003 5732 1 16 . 1 1 32 32 ALA C C 32 180.463 180.463 180.130 0.333 19003 5733 1 16 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.922 -0.237 19003 5734 1 16 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.372 -0.159 19003 5735 1 16 . 1 1 32 32 ALA H H 32 7.905 7.905 7.217 0.688 19003 5736 1 16 . 1 1 33 33 SER N N 33 112.890 112.890 114.894 -2.004 19003 5737 1 16 . 1 1 33 33 SER HA H 33 4.205 4.205 4.325 -0.120 19003 5738 1 16 . 1 1 33 33 SER CA C 33 61.074 61.074 60.719 0.355 19003 5739 1 16 . 1 1 33 33 SER CB C 33 63.834 63.834 63.752 0.083 19003 5740 1 16 . 1 1 33 33 SER H H 33 8.569 8.569 8.735 -0.166 19003 5741 1 16 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.175 -0.014 19003 5742 1 16 . 1 1 34 34 ARG C C 34 174.641 174.641 175.824 -1.183 19003 5743 1 16 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.741 1.278 19003 5744 1 16 . 1 1 35 35 LYS N N 35 117.509 117.509 116.146 1.363 19003 5745 1 16 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.954 -0.066 19003 5746 1 16 . 1 1 35 35 LYS C C 35 175.501 175.501 176.177 -0.676 19003 5747 1 16 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.000 0.087 19003 5748 1 16 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.724 -1.014 19003 5749 1 16 . 1 1 35 35 LYS H H 35 7.492 7.492 7.862 -0.370 19003 5750 1 16 . 1 1 36 36 LEU N N 36 118.727 118.727 115.524 3.203 19003 5751 1 16 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.580 0.015 19003 5752 1 16 . 1 1 36 36 LEU C C 36 175.281 175.281 175.866 -0.585 19003 5753 1 16 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.372 0.419 19003 5754 1 16 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.821 2.553 19003 5755 1 16 . 1 1 36 36 LEU H H 36 8.165 8.165 7.179 0.986 19003 5756 1 16 . 1 1 37 37 ASP N N 37 121.035 121.035 119.066 1.969 19003 5757 1 16 . 1 1 37 37 ASP HA H 37 4.740 4.740 5.165 -0.425 19003 5758 1 16 . 1 1 37 37 ASP C C 37 175.921 175.921 176.048 -0.127 19003 5759 1 16 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.047 -0.256 19003 5760 1 16 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.120 0.180 19003 5761 1 16 . 1 1 37 37 ASP H H 37 8.403 8.403 8.127 0.276 19003 5762 1 16 . 1 1 38 38 LEU N N 38 119.070 119.070 117.995 1.075 19003 5763 1 16 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.987 -0.326 19003 5764 1 16 . 1 1 38 38 LEU C C 38 180.209 180.209 176.590 3.619 19003 5765 1 16 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.889 1.419 19003 5766 1 16 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.655 -0.445 19003 5767 1 16 . 1 1 38 38 LEU H H 38 7.515 7.515 7.547 -0.032 19003 5768 1 16 . 1 1 39 39 SER N N 39 122.093 122.093 116.723 5.370 19003 5769 1 16 . 1 1 39 39 SER HA H 39 4.663 4.663 4.888 -0.225 19003 5770 1 16 . 1 1 39 39 SER C C 39 174.730 174.730 175.180 -0.450 19003 5771 1 16 . 1 1 39 39 SER CA C 39 57.343 57.343 57.892 -0.549 19003 5772 1 16 . 1 1 39 39 SER CB C 39 64.879 64.879 64.338 0.541 19003 5773 1 16 . 1 1 39 39 SER H H 39 9.706 9.706 8.389 1.317 19003 5774 1 16 . 1 1 40 40 VAL N N 40 122.917 122.917 122.984 -0.067 19003 5775 1 16 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.120 0.548 19003 5776 1 16 . 1 1 40 40 VAL C C 40 177.187 177.187 177.084 0.103 19003 5777 1 16 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.514 0.858 19003 5778 1 16 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.960 -0.107 19003 5779 1 16 . 1 1 41 41 GLU N N 41 118.661 118.661 119.347 -0.686 19003 5780 1 16 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.752 0.063 19003 5781 1 16 . 1 1 41 41 GLU C C 41 179.108 179.108 178.304 0.804 19003 5782 1 16 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.653 0.081 19003 5783 1 16 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.707 0.181 19003 5784 1 16 . 1 1 41 41 GLU H H 41 8.725 8.725 8.627 0.098 19003 5785 1 16 . 1 1 42 42 ASP N N 42 120.291 120.291 118.990 1.301 19003 5786 1 16 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.303 0.121 19003 5787 1 16 . 1 1 42 42 ASP C C 42 179.703 179.703 178.214 1.489 19003 5788 1 16 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.853 -0.410 19003 5789 1 16 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.140 -0.133 19003 5790 1 16 . 1 1 42 42 ASP H H 42 7.979 7.979 8.274 -0.295 19003 5791 1 16 . 1 1 43 43 PHE N N 43 123.091 123.091 120.914 2.177 19003 5792 1 16 . 1 1 43 43 PHE HA H 43 4.010 4.010 3.997 0.013 19003 5793 1 16 . 1 1 43 43 PHE C C 43 175.459 175.459 176.542 -1.083 19003 5794 1 16 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.271 -0.123 19003 5795 1 16 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.163 0.570 19003 5796 1 16 . 1 1 43 43 PHE H H 43 8.656 8.656 7.535 1.121 19003 5797 1 16 . 1 1 44 44 LEU N N 44 119.965 119.965 118.524 1.441 19003 5798 1 16 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.670 -0.240 19003 5799 1 16 . 1 1 44 44 LEU C C 44 180.537 180.537 178.957 1.580 19003 5800 1 16 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.861 -0.145 19003 5801 1 16 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.723 0.502 19003 5802 1 16 . 1 1 44 44 LEU H H 44 8.702 8.702 8.714 -0.012 19003 5803 1 16 . 1 1 45 45 MET N N 45 118.100 118.100 118.119 -0.019 19003 5804 1 16 . 1 1 45 45 MET HA H 45 4.117 4.117 4.042 0.075 19003 5805 1 16 . 1 1 45 45 MET C C 45 178.274 178.274 178.789 -0.515 19003 5806 1 16 . 1 1 45 45 MET CA C 45 58.421 58.421 59.137 -0.716 19003 5807 1 16 . 1 1 45 45 MET CB C 45 32.268 32.268 32.786 -0.518 19003 5808 1 16 . 1 1 45 45 MET H H 45 7.829 7.829 7.815 0.014 19003 5809 1 16 . 1 1 46 46 LEU N N 46 123.359 123.359 119.281 4.078 19003 5810 1 16 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.642 0.200 19003 5811 1 16 . 1 1 46 46 LEU C C 46 176.531 176.531 178.686 -2.155 19003 5812 1 16 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.773 -0.155 19003 5813 1 16 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.445 1.348 19003 5814 1 16 . 1 1 46 46 LEU H H 46 7.659 7.659 8.117 -0.458 19003 5815 1 16 . 1 1 47 47 ARG N N 47 118.271 118.271 116.229 2.042 19003 5816 1 16 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.809 -1.058 19003 5817 1 16 . 1 1 47 47 ARG C C 47 178.363 178.363 178.137 0.226 19003 5818 1 16 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.693 -0.688 19003 5819 1 16 . 1 1 47 47 ARG CB C 47 30.107 30.107 28.908 1.199 19003 5820 1 16 . 1 1 47 47 ARG H H 47 7.955 7.955 7.732 0.223 19003 5821 1 16 . 1 1 48 48 HIS N N 48 117.915 117.915 120.398 -2.483 19003 5822 1 16 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.039 0.186 19003 5823 1 16 . 1 1 48 48 HIS C C 48 177.097 177.097 177.528 -0.431 19003 5824 1 16 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.305 0.006 19003 5825 1 16 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.888 0.690 19003 5826 1 16 . 1 1 48 48 HIS H H 48 7.609 7.609 8.023 -0.414 19003 5827 1 16 . 1 1 49 49 ARG N N 49 116.831 116.831 118.176 -1.345 19003 5828 1 16 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.917 0.061 19003 5829 1 16 . 1 1 49 49 ARG C C 49 179.242 179.242 178.817 0.425 19003 5830 1 16 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.505 -0.446 19003 5831 1 16 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.998 -1.308 19003 5832 1 16 . 1 1 49 49 ARG H H 49 7.980 7.980 8.619 -0.639 19003 5833 1 16 . 1 1 50 50 ALA N N 50 122.916 122.916 122.722 0.194 19003 5834 1 16 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.149 -0.169 19003 5835 1 16 . 1 1 50 50 ALA C C 50 181.207 181.207 179.352 1.855 19003 5836 1 16 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.787 0.254 19003 5837 1 16 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.466 0.726 19003 5838 1 16 . 1 1 50 50 ALA H H 50 8.734 8.734 7.733 1.001 19003 5839 1 16 . 1 1 51 51 ALA N N 51 122.005 122.005 120.708 1.297 19003 5840 1 16 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.095 0.018 19003 5841 1 16 . 1 1 51 51 ALA C C 51 179.033 179.033 179.502 -0.469 19003 5842 1 16 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.656 -0.074 19003 5843 1 16 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.982 -0.963 19003 5844 1 16 . 1 1 51 51 ALA H H 51 7.861 7.861 8.068 -0.207 19003 5845 1 16 . 1 1 52 52 LEU N N 52 117.205 117.205 117.229 -0.024 19003 5846 1 16 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.309 -0.051 19003 5847 1 16 . 1 1 52 52 LEU C C 52 177.842 177.842 178.159 -0.317 19003 5848 1 16 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.384 -1.761 19003 5849 1 16 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.590 -0.980 19003 5850 1 16 . 1 1 52 52 LEU H H 52 7.277 7.277 8.753 -1.476 19003 5851 1 16 . 1 1 53 53 GLY N N 53 105.824 105.824 103.456 2.368 19003 5852 1 16 . 1 1 53 53 GLY C C 53 174.745 174.745 172.995 1.750 19003 5853 1 16 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.923 0.600 19003 5854 1 16 . 1 1 53 53 GLY H H 53 7.616 7.616 7.733 -0.117 19003 5855 1 16 . 1 1 54 54 ALA N N 54 122.086 122.086 123.648 -1.562 19003 5856 1 16 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.753 -0.526 19003 5857 1 16 . 1 1 54 54 ALA C C 54 178.035 178.035 175.533 2.502 19003 5858 1 16 . 1 1 54 54 ALA CA C 54 53.440 53.440 50.944 2.496 19003 5859 1 16 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.429 -1.704 19003 5860 1 16 . 1 1 54 54 ALA H H 54 7.637 7.637 8.077 -0.440 19003 5861 1 16 . 1 1 55 55 ASP N N 55 118.303 118.303 120.457 -2.154 19003 5862 1 16 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.659 0.087 19003 5863 1 16 . 1 1 55 55 ASP C C 55 176.129 176.129 174.599 1.530 19003 5864 1 16 . 1 1 55 55 ASP CA C 55 52.995 52.995 52.762 0.233 19003 5865 1 16 . 1 1 55 55 ASP CB C 55 41.342 41.342 41.666 -0.324 19003 5866 1 16 . 1 1 55 55 ASP H H 55 8.540 8.540 8.371 0.169 19003 5867 1 16 . 1 1 56 56 ASP N N 56 116.381 116.381 121.401 -5.020 19003 5868 1 16 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.498 0.115 19003 5869 1 16 . 1 1 56 56 ASP C C 56 175.638 175.638 177.793 -2.155 19003 5870 1 16 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.591 -1.062 19003 5871 1 16 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.118 -0.065 19003 5872 1 16 . 1 1 56 56 ASP H H 56 7.469 7.469 8.056 -0.587 19003 5873 1 16 . 1 1 57 57 ASN N N 57 118.913 118.913 125.001 -6.088 19003 5874 1 16 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.360 -0.029 19003 5875 1 16 . 1 1 57 57 ASN C C 57 176.963 176.963 176.799 0.164 19003 5876 1 16 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.197 1.157 19003 5877 1 16 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.040 1.256 19003 5878 1 16 . 1 1 57 57 ASN H H 57 9.033 9.033 8.834 0.199 19003 5879 1 16 . 1 1 58 58 ASP N N 58 117.610 117.610 121.782 -4.172 19003 5880 1 16 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.447 0.038 19003 5881 1 16 . 1 1 58 58 ASP C C 58 178.944 178.944 178.193 0.751 19003 5882 1 16 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.656 -0.035 19003 5883 1 16 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.603 -0.596 19003 5884 1 16 . 1 1 58 58 ASP H H 58 8.519 8.519 8.434 0.085 19003 5885 1 16 . 1 1 59 59 ALA N N 59 126.800 126.800 122.010 4.790 19003 5886 1 16 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.098 -0.120 19003 5887 1 16 . 1 1 59 59 ALA C C 59 178.974 178.974 179.353 -0.379 19003 5888 1 16 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.206 0.546 19003 5889 1 16 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.463 0.640 19003 5890 1 16 . 1 1 59 59 ALA H H 59 8.067 8.067 8.097 -0.030 19003 5891 1 16 . 1 1 60 60 VAL N N 60 119.673 119.673 116.763 2.910 19003 5892 1 16 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.804 -0.215 19003 5893 1 16 . 1 1 60 60 VAL C C 60 179.934 179.934 177.435 2.499 19003 5894 1 16 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.768 0.977 19003 5895 1 16 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.235 0.886 19003 5896 1 16 . 1 1 61 61 LYS N N 61 119.673 119.673 120.773 -1.100 19003 5897 1 16 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.366 -0.164 19003 5898 1 16 . 1 1 61 61 LYS C C 61 180.135 180.135 179.389 0.746 19003 5899 1 16 . 1 1 61 61 LYS CA C 61 59.437 59.437 58.942 0.495 19003 5900 1 16 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.181 0.176 19003 5901 1 16 . 1 1 61 61 LYS H H 61 8.383 8.383 8.341 0.042 19003 5902 1 16 . 1 1 62 62 PHE N N 62 122.324 122.324 122.732 -0.408 19003 5903 1 16 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.338 -0.004 19003 5904 1 16 . 1 1 62 62 PHE C C 62 177.038 177.038 176.896 0.142 19003 5905 1 16 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.282 1.409 19003 5906 1 16 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.454 -0.247 19003 5907 1 16 . 1 1 62 62 PHE H H 62 8.510 8.510 8.130 0.380 19003 5908 1 16 . 1 1 63 63 ARG N N 63 119.741 119.741 120.403 -0.662 19003 5909 1 16 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.923 0.151 19003 5910 1 16 . 1 1 63 63 ARG C C 63 178.586 178.586 178.341 0.245 19003 5911 1 16 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.576 1.603 19003 5912 1 16 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.871 0.885 19003 5913 1 16 . 1 1 63 63 ARG H H 63 8.724 8.724 8.899 -0.175 19003 5914 1 16 . 1 1 64 64 SER N N 64 113.962 113.962 115.065 -1.103 19003 5915 1 16 . 1 1 64 64 SER HA H 64 4.324 4.324 4.199 0.125 19003 5916 1 16 . 1 1 64 64 SER C C 64 177.297 177.297 176.468 0.829 19003 5917 1 16 . 1 1 64 64 SER CA C 64 61.550 61.550 61.952 -0.402 19003 5918 1 16 . 1 1 64 64 SER CB C 64 62.316 62.316 62.603 -0.287 19003 5919 1 16 . 1 1 64 64 SER H H 64 8.224 8.224 8.698 -0.474 19003 5920 1 16 . 1 1 65 65 TRP N N 65 123.490 123.490 123.628 -0.138 19003 5921 1 16 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.464 -0.311 19003 5922 1 16 . 1 1 65 65 TRP C C 65 178.318 178.318 178.574 -0.256 19003 5923 1 16 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.078 1.634 19003 5924 1 16 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.769 -2.482 19003 5925 1 16 . 1 1 65 65 TRP H H 65 8.054 8.054 7.703 0.351 19003 5926 1 16 . 1 1 66 66 TRP N N 66 122.351 122.351 120.798 1.553 19003 5927 1 16 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.248 -0.160 19003 5928 1 16 . 1 1 66 66 TRP C C 66 178.959 178.959 176.606 2.353 19003 5929 1 16 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.793 1.460 19003 5930 1 16 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.672 -0.162 19003 5931 1 16 . 1 1 66 66 TRP H H 66 9.333 9.333 8.807 0.526 19003 5932 1 16 . 1 1 67 67 ASN N N 67 115.529 115.529 115.442 0.087 19003 5933 1 16 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.591 -0.215 19003 5934 1 16 . 1 1 67 67 ASN C C 67 176.591 176.591 175.385 1.206 19003 5935 1 16 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.066 0.242 19003 5936 1 16 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.672 -0.177 19003 5937 1 16 . 1 1 67 67 ASN H H 67 8.586 8.586 8.402 0.184 19003 5938 1 16 . 1 1 68 68 SER N N 68 114.677 114.677 113.431 1.246 19003 5939 1 16 . 1 1 68 68 SER HA H 68 4.332 4.332 4.415 -0.083 19003 5940 1 16 . 1 1 68 68 SER C C 68 174.581 174.581 174.393 0.188 19003 5941 1 16 . 1 1 68 68 SER CA C 68 59.578 59.578 59.834 -0.256 19003 5942 1 16 . 1 1 68 68 SER CB C 68 63.670 63.670 63.878 -0.208 19003 5943 1 16 . 1 1 68 68 SER H H 68 7.600 7.600 7.419 0.181 19003 5944 1 16 . 1 1 69 69 ARG N N 69 121.618 121.618 118.802 2.816 19003 5945 1 16 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.394 -0.515 19003 5946 1 16 . 1 1 69 69 ARG C C 69 176.963 176.963 176.885 0.078 19003 5947 1 16 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.372 -0.285 19003 5948 1 16 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.753 -0.798 19003 5949 1 16 . 1 1 69 69 ARG H H 69 6.992 6.992 7.113 -0.121 19003 5950 1 16 . 1 1 70 70 THR N N 70 114.140 114.140 113.824 0.316 19003 5951 1 16 . 1 1 70 70 THR HA H 70 4.030 4.030 4.048 -0.018 19003 5952 1 16 . 1 1 70 70 THR C C 70 174.506 174.506 174.060 0.446 19003 5953 1 16 . 1 1 70 70 THR CA C 70 62.513 62.513 62.052 0.461 19003 5954 1 16 . 1 1 70 70 THR CB C 70 69.378 69.378 69.454 -0.076 19003 5955 1 16 . 1 1 71 71 LYS N N 71 123.490 123.490 116.553 6.937 19003 5956 1 16 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.857 0.330 19003 5957 1 16 . 1 1 71 71 LYS C C 71 176.531 176.531 175.693 0.838 19003 5958 1 16 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.880 -0.594 19003 5959 1 16 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.586 2.038 19003 5960 1 16 . 1 1 71 71 LYS H H 71 8.051 8.051 7.810 0.241 19003 5961 1 16 . 1 1 72 72 MET N N 72 121.388 121.388 113.432 7.956 19003 5962 1 16 . 1 1 72 72 MET HA H 72 4.376 4.376 4.511 -0.135 19003 5963 1 16 . 1 1 72 72 MET C C 72 176.115 176.115 175.319 0.796 19003 5964 1 16 . 1 1 72 72 MET CA C 72 55.397 55.397 57.267 -1.870 19003 5965 1 16 . 1 1 72 72 MET CB C 72 32.446 32.446 32.142 0.304 19003 5966 1 16 . 1 1 72 72 MET H H 72 8.305 8.305 7.303 1.002 19003 5967 1 16 . 1 1 73 73 ALA N N 73 124.890 124.890 120.967 3.923 19003 5968 1 16 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.964 -0.735 19003 5969 1 16 . 1 1 73 73 ALA C C 73 177.499 177.499 177.796 -0.297 19003 5970 1 16 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.352 1.287 19003 5971 1 16 . 1 1 73 73 ALA CB C 73 19.103 19.103 19.769 -0.666 19003 5972 1 16 . 1 1 73 73 ALA H H 73 8.272 8.272 8.536 -0.264 19003 5973 1 16 . 1 1 74 74 ASN N N 74 117.940 117.940 119.673 -1.733 19003 5974 1 16 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.396 0.234 19003 5975 1 16 . 1 1 74 74 ASN C C 74 174.893 174.893 174.731 0.162 19003 5976 1 16 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.506 -3.422 19003 5977 1 16 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.752 1.366 19003 5978 1 16 . 1 1 74 74 ASN H H 74 8.408 8.408 9.099 -0.691 19003 5979 1 16 . 1 1 75 75 ASP N N 75 120.439 120.439 117.435 3.004 19003 5980 1 16 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.711 -0.169 19003 5981 1 16 . 1 1 75 75 ASP C C 75 175.861 175.861 175.021 0.840 19003 5982 1 16 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.169 1.071 19003 5983 1 16 . 1 1 75 75 ASP CB C 75 41.075 41.075 41.053 0.022 19003 5984 1 16 . 1 1 75 75 ASP H H 75 8.298 8.298 7.869 0.429 19003 5985 1 17 . 1 1 11 11 THR N N 11 114.405 114.405 120.196 -5.791 19003 5986 1 17 . 1 1 11 11 THR HA H 11 4.246 4.246 3.781 0.465 19003 5987 1 17 . 1 1 11 11 THR C C 11 174.586 174.586 174.418 0.168 19003 5988 1 17 . 1 1 11 11 THR CA C 11 62.246 62.246 61.913 0.333 19003 5989 1 17 . 1 1 11 11 THR CB C 11 69.310 69.310 67.156 2.154 19003 5990 1 17 . 1 1 12 12 TYR N N 12 123.008 123.008 119.979 3.029 19003 5991 1 17 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.159 0.236 19003 5992 1 17 . 1 1 12 12 TYR C C 12 176.070 176.070 174.312 1.758 19003 5993 1 17 . 1 1 12 12 TYR CA C 12 58.510 58.510 59.697 -1.188 19003 5994 1 17 . 1 1 12 12 TYR CB C 12 38.584 38.584 37.298 1.286 19003 5995 1 17 . 1 1 12 12 TYR H H 12 8.274 8.274 7.954 0.320 19003 5996 1 17 . 1 1 13 13 ARG N N 13 123.852 123.852 120.459 3.393 19003 5997 1 17 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.374 -0.124 19003 5998 1 17 . 1 1 13 13 ARG C C 13 176.829 176.829 176.227 0.602 19003 5999 1 17 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.659 0.716 19003 6000 1 17 . 1 1 13 13 ARG CB C 13 30.489 30.489 31.742 -1.253 19003 6001 1 17 . 1 1 13 13 ARG H H 13 8.371 8.371 8.401 -0.030 19003 6002 1 17 . 1 1 14 14 GLY N N 14 108.394 108.394 114.565 -6.171 19003 6003 1 17 . 1 1 14 14 GLY C C 14 173.911 173.911 175.387 -1.476 19003 6004 1 17 . 1 1 14 14 GLY CA C 14 45.167 45.167 46.386 -1.219 19003 6005 1 17 . 1 1 14 14 GLY H H 14 7.646 7.646 8.915 -1.269 19003 6006 1 17 . 1 1 15 15 ARG N N 15 121.238 121.238 124.009 -2.771 19003 6007 1 17 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.220 0.046 19003 6008 1 17 . 1 1 15 15 ARG C C 15 177.053 177.053 176.669 0.384 19003 6009 1 17 . 1 1 15 15 ARG CA C 15 56.286 56.286 53.955 2.331 19003 6010 1 17 . 1 1 15 15 ARG CB C 15 30.578 30.578 27.954 2.624 19003 6011 1 17 . 1 1 15 15 ARG H H 15 8.568 8.568 7.520 1.048 19003 6012 1 17 . 1 1 16 16 GLY N N 16 110.085 110.085 108.504 1.581 19003 6013 1 17 . 1 1 16 16 GLY C C 16 173.911 173.911 174.964 -1.053 19003 6014 1 17 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.269 0.254 19003 6015 1 17 . 1 1 16 16 GLY H H 16 8.525 8.525 7.952 0.573 19003 6016 1 17 . 1 1 17 17 VAL N N 17 119.300 119.300 114.167 5.133 19003 6017 1 17 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.000 0.049 19003 6018 1 17 . 1 1 17 17 VAL C C 17 175.147 175.147 175.587 -0.440 19003 6019 1 17 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.497 -0.607 19003 6020 1 17 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.140 0.573 19003 6021 1 17 . 1 1 18 18 ALA N N 18 128.131 128.131 129.151 -1.020 19003 6022 1 17 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.104 0.230 19003 6023 1 17 . 1 1 18 18 ALA C C 18 177.082 177.082 176.767 0.315 19003 6024 1 17 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.302 0.714 19003 6025 1 17 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.140 -0.126 19003 6026 1 17 . 1 1 18 18 ALA H H 18 8.367 8.367 8.353 0.014 19003 6027 1 17 . 1 1 19 19 LEU N N 19 122.503 122.503 117.041 5.462 19003 6028 1 17 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.177 0.461 19003 6029 1 17 . 1 1 19 19 LEU C C 19 177.058 177.058 176.245 0.813 19003 6030 1 17 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.312 -0.716 19003 6031 1 17 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.454 2.378 19003 6032 1 17 . 1 1 19 19 LEU H H 19 8.160 8.160 7.749 0.411 19003 6033 1 17 . 1 1 20 20 THR N N 20 115.199 115.199 114.329 0.870 19003 6034 1 17 . 1 1 20 20 THR HA H 20 4.524 4.524 4.269 0.255 19003 6035 1 17 . 1 1 20 20 THR C C 20 177.950 177.950 175.081 2.869 19003 6036 1 17 . 1 1 20 20 THR CA C 20 61.001 61.001 62.556 -1.555 19003 6037 1 17 . 1 1 20 20 THR CB C 20 70.697 70.697 69.853 0.844 19003 6038 1 17 . 1 1 21 21 ASP N N 21 121.413 121.413 120.071 1.342 19003 6039 1 17 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.428 0.088 19003 6040 1 17 . 1 1 21 21 ASP C C 21 178.378 178.378 177.968 0.410 19003 6041 1 17 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.911 -0.113 19003 6042 1 17 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.339 -1.421 19003 6043 1 17 . 1 1 21 21 ASP H H 21 8.962 8.962 8.769 0.193 19003 6044 1 17 . 1 1 22 22 ASP N N 22 117.981 117.981 119.982 -2.001 19003 6045 1 17 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.501 0.055 19003 6046 1 17 . 1 1 22 22 ASP C C 22 178.869 178.869 178.333 0.536 19003 6047 1 17 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.533 0.176 19003 6048 1 17 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.066 -0.793 19003 6049 1 17 . 1 1 22 22 ASP H H 22 8.467 8.467 8.686 -0.219 19003 6050 1 17 . 1 1 23 23 GLU N N 23 120.900 120.900 120.291 0.609 19003 6051 1 17 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.232 -0.054 19003 6052 1 17 . 1 1 23 23 GLU C C 23 178.452 178.452 178.489 -0.037 19003 6053 1 17 . 1 1 23 23 GLU CA C 23 59.667 59.667 60.184 -0.517 19003 6054 1 17 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.755 0.933 19003 6055 1 17 . 1 1 23 23 GLU H H 23 7.933 7.933 8.706 -0.773 19003 6056 1 17 . 1 1 24 24 TYR N N 24 119.764 119.764 119.517 0.247 19003 6057 1 17 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.900 0.423 19003 6058 1 17 . 1 1 24 24 TYR C C 24 177.589 177.589 177.609 -0.020 19003 6059 1 17 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.815 0.683 19003 6060 1 17 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.566 -0.087 19003 6061 1 17 . 1 1 24 24 TYR H H 24 8.539 8.539 7.570 0.969 19003 6062 1 17 . 1 1 25 25 ASP N N 25 119.296 119.296 118.558 0.738 19003 6063 1 17 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.425 0.051 19003 6064 1 17 . 1 1 25 25 ASP C C 25 179.078 179.078 179.010 0.068 19003 6065 1 17 . 1 1 25 25 ASP CA C 25 57.532 57.532 58.099 -0.567 19003 6066 1 17 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.599 -0.418 19003 6067 1 17 . 1 1 25 25 ASP H H 25 8.369 8.369 7.957 0.412 19003 6068 1 17 . 1 1 26 26 GLU N N 26 121.770 121.770 119.274 2.496 19003 6069 1 17 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.381 -0.176 19003 6070 1 17 . 1 1 26 26 GLU C C 26 177.514 177.514 178.567 -1.053 19003 6071 1 17 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.281 1.119 19003 6072 1 17 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.470 1.307 19003 6073 1 17 . 1 1 26 26 GLU H H 26 8.356 8.356 8.594 -0.238 19003 6074 1 17 . 1 1 27 27 TRP N N 27 122.248 122.248 122.788 -0.540 19003 6075 1 17 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.368 -0.190 19003 6076 1 17 . 1 1 27 27 TRP C C 27 177.873 177.873 177.583 0.290 19003 6077 1 17 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.888 -1.003 19003 6078 1 17 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.386 2.192 19003 6079 1 17 . 1 1 27 27 TRP H H 27 8.314 8.314 8.166 0.148 19003 6080 1 17 . 1 1 28 28 ARG N N 28 117.274 117.274 117.853 -0.579 19003 6081 1 17 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.064 0.006 19003 6082 1 17 . 1 1 28 28 ARG C C 28 179.775 179.775 178.493 1.282 19003 6083 1 17 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.706 -1.285 19003 6084 1 17 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.419 0.315 19003 6085 1 17 . 1 1 28 28 ARG H H 28 7.974 7.974 7.377 0.597 19003 6086 1 17 . 1 1 29 29 GLU N N 29 121.770 121.770 119.549 2.221 19003 6087 1 17 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.082 -0.033 19003 6088 1 17 . 1 1 29 29 GLU C C 29 178.720 178.720 178.334 0.386 19003 6089 1 17 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.117 -0.162 19003 6090 1 17 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.777 -0.267 19003 6091 1 17 . 1 1 29 29 GLU H H 29 8.591 8.591 7.681 0.910 19003 6092 1 17 . 1 1 30 30 HIS N N 30 121.863 121.863 119.782 2.081 19003 6093 1 17 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.347 -1.212 19003 6094 1 17 . 1 1 30 30 HIS C C 30 176.308 176.308 177.659 -1.351 19003 6095 1 17 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.401 0.852 19003 6096 1 17 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.078 -2.209 19003 6097 1 17 . 1 1 30 30 HIS H H 30 8.723 8.723 8.673 0.050 19003 6098 1 17 . 1 1 31 31 ASN N N 31 117.257 117.257 117.266 -0.009 19003 6099 1 17 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.061 -0.005 19003 6100 1 17 . 1 1 31 31 ASN C C 31 178.035 178.035 177.045 0.990 19003 6101 1 17 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.297 -1.118 19003 6102 1 17 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.141 -1.318 19003 6103 1 17 . 1 1 31 31 ASN H H 31 7.405 7.405 8.098 -0.693 19003 6104 1 17 . 1 1 32 32 ALA N N 32 120.650 120.650 122.227 -1.577 19003 6105 1 17 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.994 0.071 19003 6106 1 17 . 1 1 32 32 ALA C C 32 180.463 180.463 180.294 0.169 19003 6107 1 17 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.839 -0.154 19003 6108 1 17 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.414 -0.201 19003 6109 1 17 . 1 1 32 32 ALA H H 32 7.905 7.905 7.299 0.606 19003 6110 1 17 . 1 1 33 33 SER N N 33 112.890 112.890 114.737 -1.847 19003 6111 1 17 . 1 1 33 33 SER HA H 33 4.205 4.205 4.314 -0.109 19003 6112 1 17 . 1 1 33 33 SER CA C 33 61.074 61.074 60.879 0.195 19003 6113 1 17 . 1 1 33 33 SER CB C 33 63.834 63.834 63.731 0.103 19003 6114 1 17 . 1 1 33 33 SER H H 33 8.569 8.569 8.709 -0.140 19003 6115 1 17 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.166 -0.005 19003 6116 1 17 . 1 1 34 34 ARG C C 34 174.641 174.641 175.817 -1.176 19003 6117 1 17 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.561 1.458 19003 6118 1 17 . 1 1 35 35 LYS N N 35 117.509 117.509 115.704 1.805 19003 6119 1 17 . 1 1 35 35 LYS HA H 35 3.888 3.888 4.011 -0.123 19003 6120 1 17 . 1 1 35 35 LYS C C 35 175.501 175.501 175.935 -0.434 19003 6121 1 17 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.013 0.074 19003 6122 1 17 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.488 -0.778 19003 6123 1 17 . 1 1 35 35 LYS H H 35 7.492 7.492 7.824 -0.332 19003 6124 1 17 . 1 1 36 36 LEU N N 36 118.727 118.727 116.178 2.549 19003 6125 1 17 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.586 0.009 19003 6126 1 17 . 1 1 36 36 LEU C C 36 175.281 175.281 175.861 -0.580 19003 6127 1 17 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.681 0.110 19003 6128 1 17 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.300 3.074 19003 6129 1 17 . 1 1 36 36 LEU H H 36 8.165 8.165 7.141 1.024 19003 6130 1 17 . 1 1 37 37 ASP N N 37 121.035 121.035 118.976 2.059 19003 6131 1 17 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.872 -0.132 19003 6132 1 17 . 1 1 37 37 ASP C C 37 175.921 175.921 176.128 -0.207 19003 6133 1 17 . 1 1 37 37 ASP CA C 37 52.791 52.791 52.822 -0.031 19003 6134 1 17 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.049 0.251 19003 6135 1 17 . 1 1 37 37 ASP H H 37 8.403 8.403 8.158 0.245 19003 6136 1 17 . 1 1 38 38 LEU N N 38 119.070 119.070 117.623 1.447 19003 6137 1 17 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.688 -0.027 19003 6138 1 17 . 1 1 38 38 LEU C C 38 180.209 180.209 176.217 3.992 19003 6139 1 17 . 1 1 38 38 LEU CA C 38 55.308 55.308 54.717 0.591 19003 6140 1 17 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.273 -0.063 19003 6141 1 17 . 1 1 38 38 LEU H H 38 7.515 7.515 7.335 0.180 19003 6142 1 17 . 1 1 39 39 SER N N 39 122.093 122.093 117.193 4.900 19003 6143 1 17 . 1 1 39 39 SER HA H 39 4.663 4.663 4.934 -0.271 19003 6144 1 17 . 1 1 39 39 SER C C 39 174.730 174.730 175.203 -0.473 19003 6145 1 17 . 1 1 39 39 SER CA C 39 57.343 57.343 57.557 -0.214 19003 6146 1 17 . 1 1 39 39 SER CB C 39 64.879 64.879 64.124 0.755 19003 6147 1 17 . 1 1 39 39 SER H H 39 9.706 9.706 8.795 0.911 19003 6148 1 17 . 1 1 40 40 VAL N N 40 122.917 122.917 123.225 -0.308 19003 6149 1 17 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.149 0.519 19003 6150 1 17 . 1 1 40 40 VAL C C 40 177.187 177.187 177.106 0.081 19003 6151 1 17 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.655 0.717 19003 6152 1 17 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.933 -0.080 19003 6153 1 17 . 1 1 41 41 GLU N N 41 118.661 118.661 119.095 -0.434 19003 6154 1 17 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.728 0.087 19003 6155 1 17 . 1 1 41 41 GLU C C 41 179.108 179.108 178.104 1.004 19003 6156 1 17 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.509 0.225 19003 6157 1 17 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.547 0.341 19003 6158 1 17 . 1 1 41 41 GLU H H 41 8.725 8.725 8.637 0.088 19003 6159 1 17 . 1 1 42 42 ASP N N 42 120.291 120.291 118.651 1.640 19003 6160 1 17 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.325 0.099 19003 6161 1 17 . 1 1 42 42 ASP C C 42 179.703 179.703 178.324 1.379 19003 6162 1 17 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.326 0.117 19003 6163 1 17 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.146 -0.139 19003 6164 1 17 . 1 1 42 42 ASP H H 42 7.979 7.979 8.298 -0.319 19003 6165 1 17 . 1 1 43 43 PHE N N 43 123.091 123.091 121.462 1.629 19003 6166 1 17 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.049 -0.039 19003 6167 1 17 . 1 1 43 43 PHE C C 43 175.459 175.459 176.700 -1.241 19003 6168 1 17 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.129 0.019 19003 6169 1 17 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.138 0.595 19003 6170 1 17 . 1 1 43 43 PHE H H 43 8.656 8.656 7.621 1.035 19003 6171 1 17 . 1 1 44 44 LEU N N 44 119.965 119.965 118.544 1.421 19003 6172 1 17 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.818 -0.388 19003 6173 1 17 . 1 1 44 44 LEU C C 44 180.537 180.537 179.073 1.464 19003 6174 1 17 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.826 -0.110 19003 6175 1 17 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.741 0.484 19003 6176 1 17 . 1 1 44 44 LEU H H 44 8.702 8.702 8.809 -0.107 19003 6177 1 17 . 1 1 45 45 MET N N 45 118.100 118.100 118.537 -0.437 19003 6178 1 17 . 1 1 45 45 MET HA H 45 4.117 4.117 4.020 0.097 19003 6179 1 17 . 1 1 45 45 MET C C 45 178.274 178.274 178.706 -0.432 19003 6180 1 17 . 1 1 45 45 MET CA C 45 58.421 58.421 59.206 -0.785 19003 6181 1 17 . 1 1 45 45 MET CB C 45 32.268 32.268 32.896 -0.628 19003 6182 1 17 . 1 1 45 45 MET H H 45 7.829 7.829 7.945 -0.116 19003 6183 1 17 . 1 1 46 46 LEU N N 46 123.359 123.359 119.609 3.750 19003 6184 1 17 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.653 0.189 19003 6185 1 17 . 1 1 46 46 LEU C C 46 176.531 176.531 178.733 -2.202 19003 6186 1 17 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.738 -0.120 19003 6187 1 17 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.509 1.284 19003 6188 1 17 . 1 1 46 46 LEU H H 46 7.659 7.659 8.038 -0.379 19003 6189 1 17 . 1 1 47 47 ARG N N 47 118.271 118.271 117.691 0.580 19003 6190 1 17 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.620 -0.869 19003 6191 1 17 . 1 1 47 47 ARG C C 47 178.363 178.363 177.873 0.490 19003 6192 1 17 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.420 -1.416 19003 6193 1 17 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.802 0.305 19003 6194 1 17 . 1 1 47 47 ARG H H 47 7.955 7.955 7.741 0.214 19003 6195 1 17 . 1 1 48 48 HIS N N 48 117.915 117.915 118.976 -1.061 19003 6196 1 17 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.045 0.180 19003 6197 1 17 . 1 1 48 48 HIS C C 48 177.097 177.097 177.704 -0.607 19003 6198 1 17 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.405 -0.094 19003 6199 1 17 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.806 0.772 19003 6200 1 17 . 1 1 48 48 HIS H H 48 7.609 7.609 8.138 -0.529 19003 6201 1 17 . 1 1 49 49 ARG N N 49 116.831 116.831 117.864 -1.033 19003 6202 1 17 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.943 0.035 19003 6203 1 17 . 1 1 49 49 ARG C C 49 179.242 179.242 178.765 0.477 19003 6204 1 17 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.391 -0.332 19003 6205 1 17 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.005 -1.315 19003 6206 1 17 . 1 1 49 49 ARG H H 49 7.980 7.980 8.625 -0.645 19003 6207 1 17 . 1 1 50 50 ALA N N 50 122.916 122.916 122.731 0.185 19003 6208 1 17 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.163 -0.183 19003 6209 1 17 . 1 1 50 50 ALA C C 50 181.207 181.207 179.318 1.889 19003 6210 1 17 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.684 0.357 19003 6211 1 17 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.477 0.715 19003 6212 1 17 . 1 1 50 50 ALA H H 50 8.734 8.734 7.622 1.112 19003 6213 1 17 . 1 1 51 51 ALA N N 51 122.005 122.005 120.814 1.191 19003 6214 1 17 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.088 0.025 19003 6215 1 17 . 1 1 51 51 ALA C C 51 179.033 179.033 179.369 -0.336 19003 6216 1 17 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.583 -0.001 19003 6217 1 17 . 1 1 51 51 ALA CB C 51 18.019 18.019 19.039 -1.020 19003 6218 1 17 . 1 1 51 51 ALA H H 51 7.861 7.861 8.062 -0.201 19003 6219 1 17 . 1 1 52 52 LEU N N 52 117.205 117.205 116.906 0.299 19003 6220 1 17 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.186 0.072 19003 6221 1 17 . 1 1 52 52 LEU C C 52 177.842 177.842 178.408 -0.566 19003 6222 1 17 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.233 -1.610 19003 6223 1 17 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.515 -0.906 19003 6224 1 17 . 1 1 52 52 LEU H H 52 7.277 7.277 8.521 -1.244 19003 6225 1 17 . 1 1 53 53 GLY N N 53 105.824 105.824 103.061 2.763 19003 6226 1 17 . 1 1 53 53 GLY C C 53 174.745 174.745 173.104 1.641 19003 6227 1 17 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.828 0.695 19003 6228 1 17 . 1 1 53 53 GLY H H 53 7.616 7.616 7.726 -0.110 19003 6229 1 17 . 1 1 54 54 ALA N N 54 122.086 122.086 122.911 -0.825 19003 6230 1 17 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.674 -0.447 19003 6231 1 17 . 1 1 54 54 ALA C C 54 178.035 178.035 175.645 2.390 19003 6232 1 17 . 1 1 54 54 ALA CA C 54 53.440 53.440 50.993 2.446 19003 6233 1 17 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.196 -1.471 19003 6234 1 17 . 1 1 54 54 ALA H H 54 7.637 7.637 7.960 -0.323 19003 6235 1 17 . 1 1 55 55 ASP N N 55 118.303 118.303 120.859 -2.556 19003 6236 1 17 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.772 -0.026 19003 6237 1 17 . 1 1 55 55 ASP C C 55 176.129 176.129 175.069 1.060 19003 6238 1 17 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.473 -0.478 19003 6239 1 17 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.399 -1.057 19003 6240 1 17 . 1 1 55 55 ASP H H 55 8.540 8.540 8.451 0.089 19003 6241 1 17 . 1 1 56 56 ASP N N 56 116.381 116.381 121.544 -5.163 19003 6242 1 17 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.556 0.057 19003 6243 1 17 . 1 1 56 56 ASP C C 56 175.638 175.638 177.707 -2.069 19003 6244 1 17 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.456 -0.927 19003 6245 1 17 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.024 0.029 19003 6246 1 17 . 1 1 56 56 ASP H H 56 7.469 7.469 8.087 -0.618 19003 6247 1 17 . 1 1 57 57 ASN N N 57 118.913 118.913 125.016 -6.103 19003 6248 1 17 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.319 0.012 19003 6249 1 17 . 1 1 57 57 ASN C C 57 176.963 176.963 176.838 0.125 19003 6250 1 17 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.365 0.989 19003 6251 1 17 . 1 1 57 57 ASN CB C 57 39.296 39.296 37.980 1.316 19003 6252 1 17 . 1 1 57 57 ASN H H 57 9.033 9.033 8.883 0.150 19003 6253 1 17 . 1 1 58 58 ASP N N 58 117.610 117.610 121.610 -4.000 19003 6254 1 17 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.478 0.007 19003 6255 1 17 . 1 1 58 58 ASP C C 58 178.944 178.944 178.345 0.599 19003 6256 1 17 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.388 0.233 19003 6257 1 17 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.427 -0.420 19003 6258 1 17 . 1 1 58 58 ASP H H 58 8.519 8.519 8.236 0.283 19003 6259 1 17 . 1 1 59 59 ALA N N 59 126.800 126.800 122.359 4.441 19003 6260 1 17 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.110 -0.132 19003 6261 1 17 . 1 1 59 59 ALA C C 59 178.974 178.974 179.231 -0.257 19003 6262 1 17 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.269 0.483 19003 6263 1 17 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.496 0.607 19003 6264 1 17 . 1 1 59 59 ALA H H 59 8.067 8.067 7.892 0.175 19003 6265 1 17 . 1 1 60 60 VAL N N 60 119.673 119.673 116.144 3.529 19003 6266 1 17 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.708 -0.119 19003 6267 1 17 . 1 1 60 60 VAL C C 60 179.934 179.934 177.797 2.137 19003 6268 1 17 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.065 0.680 19003 6269 1 17 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.594 0.527 19003 6270 1 17 . 1 1 61 61 LYS N N 61 119.673 119.673 121.170 -1.497 19003 6271 1 17 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.065 0.137 19003 6272 1 17 . 1 1 61 61 LYS C C 61 180.135 180.135 178.986 1.149 19003 6273 1 17 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.523 -0.086 19003 6274 1 17 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.135 0.222 19003 6275 1 17 . 1 1 61 61 LYS H H 61 8.383 8.383 8.552 -0.169 19003 6276 1 17 . 1 1 62 62 PHE N N 62 122.324 122.324 122.179 0.145 19003 6277 1 17 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.282 0.052 19003 6278 1 17 . 1 1 62 62 PHE C C 62 177.038 177.038 177.078 -0.040 19003 6279 1 17 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.403 1.288 19003 6280 1 17 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.367 -0.160 19003 6281 1 17 . 1 1 62 62 PHE H H 62 8.510 8.510 8.198 0.312 19003 6282 1 17 . 1 1 63 63 ARG N N 63 119.741 119.741 119.845 -0.104 19003 6283 1 17 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.935 0.139 19003 6284 1 17 . 1 1 63 63 ARG C C 63 178.586 178.586 178.501 0.085 19003 6285 1 17 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.599 1.580 19003 6286 1 17 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.656 1.100 19003 6287 1 17 . 1 1 63 63 ARG H H 63 8.724 8.724 8.879 -0.155 19003 6288 1 17 . 1 1 64 64 SER N N 64 113.962 113.962 115.581 -1.619 19003 6289 1 17 . 1 1 64 64 SER HA H 64 4.324 4.324 4.191 0.133 19003 6290 1 17 . 1 1 64 64 SER C C 64 177.297 177.297 176.440 0.857 19003 6291 1 17 . 1 1 64 64 SER CA C 64 61.550 61.550 62.914 -1.364 19003 6292 1 17 . 1 1 64 64 SER CB C 64 62.316 62.316 62.950 -0.634 19003 6293 1 17 . 1 1 64 64 SER H H 64 8.224 8.224 8.736 -0.512 19003 6294 1 17 . 1 1 65 65 TRP N N 65 123.490 123.490 122.624 0.866 19003 6295 1 17 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.495 -0.342 19003 6296 1 17 . 1 1 65 65 TRP C C 65 178.318 178.318 178.467 -0.149 19003 6297 1 17 . 1 1 65 65 TRP CA C 65 61.712 61.712 59.767 1.944 19003 6298 1 17 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.840 -2.553 19003 6299 1 17 . 1 1 65 65 TRP H H 65 8.054 8.054 7.901 0.153 19003 6300 1 17 . 1 1 66 66 TRP N N 66 122.351 122.351 120.937 1.414 19003 6301 1 17 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.302 -0.214 19003 6302 1 17 . 1 1 66 66 TRP C C 66 178.959 178.959 176.316 2.643 19003 6303 1 17 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.879 1.374 19003 6304 1 17 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.764 -0.254 19003 6305 1 17 . 1 1 66 66 TRP H H 66 9.333 9.333 8.808 0.525 19003 6306 1 17 . 1 1 67 67 ASN N N 67 115.529 115.529 115.822 -0.293 19003 6307 1 17 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.626 -0.250 19003 6308 1 17 . 1 1 67 67 ASN C C 67 176.591 176.591 175.271 1.320 19003 6309 1 17 . 1 1 67 67 ASN CA C 67 55.308 55.308 54.912 0.396 19003 6310 1 17 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.835 -0.340 19003 6311 1 17 . 1 1 67 67 ASN H H 67 8.586 8.586 8.420 0.166 19003 6312 1 17 . 1 1 68 68 SER N N 68 114.677 114.677 113.569 1.108 19003 6313 1 17 . 1 1 68 68 SER HA H 68 4.332 4.332 4.374 -0.042 19003 6314 1 17 . 1 1 68 68 SER C C 68 174.581 174.581 174.468 0.113 19003 6315 1 17 . 1 1 68 68 SER CA C 68 59.578 59.578 59.869 -0.291 19003 6316 1 17 . 1 1 68 68 SER CB C 68 63.670 63.670 63.823 -0.153 19003 6317 1 17 . 1 1 68 68 SER H H 68 7.600 7.600 7.386 0.214 19003 6318 1 17 . 1 1 69 69 ARG N N 69 121.618 121.618 119.040 2.578 19003 6319 1 17 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.375 -0.496 19003 6320 1 17 . 1 1 69 69 ARG C C 69 176.963 176.963 176.963 0.000 19003 6321 1 17 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.268 -0.181 19003 6322 1 17 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.769 -0.814 19003 6323 1 17 . 1 1 69 69 ARG H H 69 6.992 6.992 7.041 -0.049 19003 6324 1 17 . 1 1 70 70 THR N N 70 114.140 114.140 113.991 0.149 19003 6325 1 17 . 1 1 70 70 THR HA H 70 4.030 4.030 4.050 -0.020 19003 6326 1 17 . 1 1 70 70 THR C C 70 174.506 174.506 174.553 -0.047 19003 6327 1 17 . 1 1 70 70 THR CA C 70 62.513 62.513 62.388 0.125 19003 6328 1 17 . 1 1 70 70 THR CB C 70 69.378 69.378 69.679 -0.301 19003 6329 1 17 . 1 1 71 71 LYS N N 71 123.490 123.490 116.226 7.264 19003 6330 1 17 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.915 0.272 19003 6331 1 17 . 1 1 71 71 LYS C C 71 176.531 176.531 175.566 0.965 19003 6332 1 17 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.876 -0.590 19003 6333 1 17 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.966 1.658 19003 6334 1 17 . 1 1 71 71 LYS H H 71 8.051 8.051 7.976 0.075 19003 6335 1 17 . 1 1 72 72 MET N N 72 121.388 121.388 112.136 9.252 19003 6336 1 17 . 1 1 72 72 MET HA H 72 4.376 4.376 4.394 -0.018 19003 6337 1 17 . 1 1 72 72 MET C C 72 176.115 176.115 175.558 0.557 19003 6338 1 17 . 1 1 72 72 MET CA C 72 55.397 55.397 57.292 -1.895 19003 6339 1 17 . 1 1 72 72 MET CB C 72 32.446 32.446 32.026 0.420 19003 6340 1 17 . 1 1 72 72 MET H H 72 8.305 8.305 7.335 0.970 19003 6341 1 17 . 1 1 73 73 ALA N N 73 124.890 124.890 122.581 2.309 19003 6342 1 17 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.920 -0.691 19003 6343 1 17 . 1 1 73 73 ALA C C 73 177.499 177.499 177.146 0.353 19003 6344 1 17 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.251 1.388 19003 6345 1 17 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.426 -1.323 19003 6346 1 17 . 1 1 73 73 ALA H H 73 8.272 8.272 8.719 -0.447 19003 6347 1 17 . 1 1 74 74 ASN N N 74 117.940 117.940 120.067 -2.127 19003 6348 1 17 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.338 0.292 19003 6349 1 17 . 1 1 74 74 ASN C C 74 174.893 174.893 174.494 0.399 19003 6350 1 17 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.675 -3.591 19003 6351 1 17 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.498 0.620 19003 6352 1 17 . 1 1 74 74 ASN H H 74 8.408 8.408 8.880 -0.472 19003 6353 1 17 . 1 1 75 75 ASP N N 75 120.439 120.439 111.686 8.753 19003 6354 1 17 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.594 -0.052 19003 6355 1 17 . 1 1 75 75 ASP C C 75 175.861 175.861 174.414 1.447 19003 6356 1 17 . 1 1 75 75 ASP CA C 75 54.240 54.240 52.791 1.449 19003 6357 1 17 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.121 0.954 19003 6358 1 17 . 1 1 75 75 ASP H H 75 8.298 8.298 7.613 0.685 19003 6359 1 18 . 1 1 11 11 THR N N 11 114.405 114.405 113.026 1.379 19003 6360 1 18 . 1 1 11 11 THR HA H 11 4.246 4.246 4.263 -0.017 19003 6361 1 18 . 1 1 11 11 THR C C 11 174.586 174.586 172.776 1.810 19003 6362 1 18 . 1 1 11 11 THR CA C 11 62.246 62.246 60.518 1.728 19003 6363 1 18 . 1 1 11 11 THR CB C 11 69.310 69.310 70.837 -1.527 19003 6364 1 18 . 1 1 12 12 TYR N N 12 123.008 123.008 119.249 3.759 19003 6365 1 18 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.907 -0.512 19003 6366 1 18 . 1 1 12 12 TYR C C 12 176.070 176.070 174.311 1.759 19003 6367 1 18 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.882 1.628 19003 6368 1 18 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.743 -2.159 19003 6369 1 18 . 1 1 12 12 TYR H H 12 8.274 8.274 8.086 0.188 19003 6370 1 18 . 1 1 13 13 ARG N N 13 123.852 123.852 119.687 4.165 19003 6371 1 18 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.432 -0.182 19003 6372 1 18 . 1 1 13 13 ARG C C 13 176.829 176.829 175.501 1.328 19003 6373 1 18 . 1 1 13 13 ARG CA C 13 56.375 56.375 56.093 0.282 19003 6374 1 18 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.977 -2.488 19003 6375 1 18 . 1 1 13 13 ARG H H 13 8.371 8.371 8.682 -0.311 19003 6376 1 18 . 1 1 14 14 GLY N N 14 108.394 108.394 110.836 -2.442 19003 6377 1 18 . 1 1 14 14 GLY C C 14 173.911 173.911 173.908 0.003 19003 6378 1 18 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.713 -0.546 19003 6379 1 18 . 1 1 14 14 GLY H H 14 7.646 7.646 8.502 -0.856 19003 6380 1 18 . 1 1 15 15 ARG N N 15 121.238 121.238 117.986 3.252 19003 6381 1 18 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.365 -0.099 19003 6382 1 18 . 1 1 15 15 ARG C C 15 177.053 177.053 176.387 0.666 19003 6383 1 18 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.974 1.312 19003 6384 1 18 . 1 1 15 15 ARG CB C 15 30.578 30.578 30.334 0.243 19003 6385 1 18 . 1 1 15 15 ARG H H 15 8.568 8.568 8.107 0.461 19003 6386 1 18 . 1 1 16 16 GLY N N 16 110.085 110.085 109.034 1.051 19003 6387 1 18 . 1 1 16 16 GLY C C 16 173.911 173.911 174.599 -0.688 19003 6388 1 18 . 1 1 16 16 GLY CA C 16 45.523 45.523 44.911 0.612 19003 6389 1 18 . 1 1 16 16 GLY H H 16 8.525 8.525 8.093 0.432 19003 6390 1 18 . 1 1 17 17 VAL N N 17 119.300 119.300 115.714 3.586 19003 6391 1 18 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.072 -0.023 19003 6392 1 18 . 1 1 17 17 VAL C C 17 175.147 175.147 175.861 -0.714 19003 6393 1 18 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.723 -0.833 19003 6394 1 18 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.209 0.504 19003 6395 1 18 . 1 1 18 18 ALA N N 18 128.131 128.131 129.079 -0.948 19003 6396 1 18 . 1 1 18 18 ALA HA H 18 4.334 4.334 3.933 0.401 19003 6397 1 18 . 1 1 18 18 ALA C C 18 177.082 177.082 176.743 0.339 19003 6398 1 18 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.434 0.582 19003 6399 1 18 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.125 -0.111 19003 6400 1 18 . 1 1 18 18 ALA H H 18 8.367 8.367 8.296 0.071 19003 6401 1 18 . 1 1 19 19 LEU N N 19 122.503 122.503 117.510 4.993 19003 6402 1 18 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.102 0.536 19003 6403 1 18 . 1 1 19 19 LEU C C 19 177.058 177.058 176.341 0.717 19003 6404 1 18 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.519 -0.923 19003 6405 1 18 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.114 1.718 19003 6406 1 18 . 1 1 19 19 LEU H H 19 8.160 8.160 7.669 0.491 19003 6407 1 18 . 1 1 20 20 THR N N 20 115.199 115.199 114.553 0.646 19003 6408 1 18 . 1 1 20 20 THR HA H 20 4.524 4.524 4.207 0.317 19003 6409 1 18 . 1 1 20 20 THR C C 20 177.950 177.950 175.487 2.463 19003 6410 1 18 . 1 1 20 20 THR CA C 20 61.001 61.001 62.271 -1.270 19003 6411 1 18 . 1 1 20 20 THR CB C 20 70.697 70.697 70.018 0.679 19003 6412 1 18 . 1 1 21 21 ASP N N 21 121.413 121.413 122.193 -0.780 19003 6413 1 18 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.431 0.085 19003 6414 1 18 . 1 1 21 21 ASP C C 21 178.378 178.378 178.073 0.305 19003 6415 1 18 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.963 -1.165 19003 6416 1 18 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.117 -1.200 19003 6417 1 18 . 1 1 21 21 ASP H H 21 8.962 8.962 9.016 -0.054 19003 6418 1 18 . 1 1 22 22 ASP N N 22 117.981 117.981 119.782 -1.801 19003 6419 1 18 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.489 0.067 19003 6420 1 18 . 1 1 22 22 ASP C C 22 178.869 178.869 178.738 0.131 19003 6421 1 18 . 1 1 22 22 ASP CA C 22 57.709 57.709 58.142 -0.433 19003 6422 1 18 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.609 -0.335 19003 6423 1 18 . 1 1 22 22 ASP H H 22 8.467 8.467 8.754 -0.287 19003 6424 1 18 . 1 1 23 23 GLU N N 23 120.900 120.900 119.715 1.185 19003 6425 1 18 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.356 -0.178 19003 6426 1 18 . 1 1 23 23 GLU C C 23 178.452 178.452 178.478 -0.026 19003 6427 1 18 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.676 -0.009 19003 6428 1 18 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.527 1.161 19003 6429 1 18 . 1 1 23 23 GLU H H 23 7.933 7.933 8.830 -0.897 19003 6430 1 18 . 1 1 24 24 TYR N N 24 119.764 119.764 119.473 0.291 19003 6431 1 18 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.852 0.471 19003 6432 1 18 . 1 1 24 24 TYR C C 24 177.589 177.589 177.470 0.119 19003 6433 1 18 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.578 0.920 19003 6434 1 18 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.555 -0.076 19003 6435 1 18 . 1 1 24 24 TYR H H 24 8.539 8.539 7.553 0.986 19003 6436 1 18 . 1 1 25 25 ASP N N 25 119.296 119.296 118.607 0.689 19003 6437 1 18 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.373 0.103 19003 6438 1 18 . 1 1 25 25 ASP C C 25 179.078 179.078 178.853 0.225 19003 6439 1 18 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.440 0.093 19003 6440 1 18 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.854 -0.673 19003 6441 1 18 . 1 1 25 25 ASP H H 25 8.369 8.369 7.954 0.415 19003 6442 1 18 . 1 1 26 26 GLU N N 26 121.770 121.770 119.537 2.233 19003 6443 1 18 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.239 -0.034 19003 6444 1 18 . 1 1 26 26 GLU C C 26 177.514 177.514 178.817 -1.303 19003 6445 1 18 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.211 1.189 19003 6446 1 18 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.715 1.062 19003 6447 1 18 . 1 1 26 26 GLU H H 26 8.356 8.356 8.584 -0.228 19003 6448 1 18 . 1 1 27 27 TRP N N 27 122.248 122.248 122.355 -0.107 19003 6449 1 18 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.325 -0.147 19003 6450 1 18 . 1 1 27 27 TRP C C 27 177.873 177.873 177.168 0.705 19003 6451 1 18 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.847 -0.962 19003 6452 1 18 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.410 2.168 19003 6453 1 18 . 1 1 27 27 TRP H H 27 8.314 8.314 8.280 0.034 19003 6454 1 18 . 1 1 28 28 ARG N N 28 117.274 117.274 118.315 -1.041 19003 6455 1 18 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.274 -0.204 19003 6456 1 18 . 1 1 28 28 ARG C C 28 179.775 179.775 178.619 1.156 19003 6457 1 18 . 1 1 28 28 ARG CA C 28 58.421 58.421 58.893 -0.472 19003 6458 1 18 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.500 0.234 19003 6459 1 18 . 1 1 28 28 ARG H H 28 7.974 7.974 7.498 0.476 19003 6460 1 18 . 1 1 29 29 GLU N N 29 121.770 121.770 119.527 2.243 19003 6461 1 18 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.100 -0.051 19003 6462 1 18 . 1 1 29 29 GLU C C 29 178.720 178.720 178.235 0.485 19003 6463 1 18 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.098 -0.143 19003 6464 1 18 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.774 -0.263 19003 6465 1 18 . 1 1 29 29 GLU H H 29 8.591 8.591 7.669 0.922 19003 6466 1 18 . 1 1 30 30 HIS N N 30 121.863 121.863 119.445 2.418 19003 6467 1 18 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.313 -1.178 19003 6468 1 18 . 1 1 30 30 HIS C C 30 176.308 176.308 177.578 -1.270 19003 6469 1 18 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.605 0.648 19003 6470 1 18 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.084 -2.215 19003 6471 1 18 . 1 1 30 30 HIS H H 30 8.723 8.723 8.566 0.157 19003 6472 1 18 . 1 1 31 31 ASN N N 31 117.257 117.257 117.761 -0.504 19003 6473 1 18 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.017 0.039 19003 6474 1 18 . 1 1 31 31 ASN C C 31 178.035 178.035 177.079 0.956 19003 6475 1 18 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.679 -1.500 19003 6476 1 18 . 1 1 31 31 ASN CB C 31 36.823 36.823 37.804 -0.981 19003 6477 1 18 . 1 1 31 31 ASN H H 31 7.405 7.405 8.179 -0.774 19003 6478 1 18 . 1 1 32 32 ALA N N 32 120.650 120.650 121.885 -1.235 19003 6479 1 18 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.961 0.104 19003 6480 1 18 . 1 1 32 32 ALA C C 32 180.463 180.463 180.076 0.387 19003 6481 1 18 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.969 -0.284 19003 6482 1 18 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.355 -0.142 19003 6483 1 18 . 1 1 32 32 ALA H H 32 7.905 7.905 7.284 0.621 19003 6484 1 18 . 1 1 33 33 SER N N 33 112.890 112.890 113.829 -0.939 19003 6485 1 18 . 1 1 33 33 SER HA H 33 4.205 4.205 4.334 -0.129 19003 6486 1 18 . 1 1 33 33 SER CA C 33 61.074 61.074 60.532 0.542 19003 6487 1 18 . 1 1 33 33 SER CB C 33 63.834 63.834 63.698 0.136 19003 6488 1 18 . 1 1 33 33 SER H H 33 8.569 8.569 8.643 -0.074 19003 6489 1 18 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.214 -0.053 19003 6490 1 18 . 1 1 34 34 ARG C C 34 174.641 174.641 175.396 -0.755 19003 6491 1 18 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.264 1.755 19003 6492 1 18 . 1 1 35 35 LYS N N 35 117.509 117.509 117.182 0.327 19003 6493 1 18 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.924 -0.036 19003 6494 1 18 . 1 1 35 35 LYS C C 35 175.501 175.501 175.851 -0.350 19003 6495 1 18 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.931 0.156 19003 6496 1 18 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.574 -0.864 19003 6497 1 18 . 1 1 35 35 LYS H H 35 7.492 7.492 7.670 -0.178 19003 6498 1 18 . 1 1 36 36 LEU N N 36 118.727 118.727 115.391 3.336 19003 6499 1 18 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.637 -0.042 19003 6500 1 18 . 1 1 36 36 LEU C C 36 175.281 175.281 175.236 0.045 19003 6501 1 18 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.958 -0.167 19003 6502 1 18 . 1 1 36 36 LEU CB C 36 46.374 46.374 44.437 1.937 19003 6503 1 18 . 1 1 36 36 LEU H H 36 8.165 8.165 7.615 0.550 19003 6504 1 18 . 1 1 37 37 ASP N N 37 121.035 121.035 119.918 1.117 19003 6505 1 18 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.720 0.020 19003 6506 1 18 . 1 1 37 37 ASP C C 37 175.921 175.921 175.718 0.203 19003 6507 1 18 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.554 -0.763 19003 6508 1 18 . 1 1 37 37 ASP CB C 37 41.300 41.300 40.790 0.510 19003 6509 1 18 . 1 1 37 37 ASP H H 37 8.403 8.403 8.205 0.198 19003 6510 1 18 . 1 1 38 38 LEU N N 38 119.070 119.070 117.422 1.648 19003 6511 1 18 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.622 0.039 19003 6512 1 18 . 1 1 38 38 LEU C C 38 180.209 180.209 176.140 4.069 19003 6513 1 18 . 1 1 38 38 LEU CA C 38 55.308 55.308 55.184 0.124 19003 6514 1 18 . 1 1 38 38 LEU CB C 38 43.210 43.210 43.304 -0.095 19003 6515 1 18 . 1 1 38 38 LEU H H 38 7.515 7.515 7.634 -0.119 19003 6516 1 18 . 1 1 39 39 SER N N 39 122.093 122.093 116.838 5.255 19003 6517 1 18 . 1 1 39 39 SER HA H 39 4.663 4.663 4.924 -0.261 19003 6518 1 18 . 1 1 39 39 SER C C 39 174.730 174.730 175.370 -0.640 19003 6519 1 18 . 1 1 39 39 SER CA C 39 57.343 57.343 57.399 -0.056 19003 6520 1 18 . 1 1 39 39 SER CB C 39 64.879 64.879 64.281 0.598 19003 6521 1 18 . 1 1 39 39 SER H H 39 9.706 9.706 8.357 1.349 19003 6522 1 18 . 1 1 40 40 VAL N N 40 122.917 122.917 123.297 -0.380 19003 6523 1 18 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.212 0.456 19003 6524 1 18 . 1 1 40 40 VAL C C 40 177.187 177.187 177.045 0.142 19003 6525 1 18 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.591 0.781 19003 6526 1 18 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.989 -0.136 19003 6527 1 18 . 1 1 41 41 GLU N N 41 118.661 118.661 119.385 -0.724 19003 6528 1 18 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.795 0.020 19003 6529 1 18 . 1 1 41 41 GLU C C 41 179.108 179.108 178.389 0.719 19003 6530 1 18 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.633 0.101 19003 6531 1 18 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.772 0.116 19003 6532 1 18 . 1 1 41 41 GLU H H 41 8.725 8.725 8.662 0.063 19003 6533 1 18 . 1 1 42 42 ASP N N 42 120.291 120.291 119.188 1.103 19003 6534 1 18 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.327 0.097 19003 6535 1 18 . 1 1 42 42 ASP C C 42 179.703 179.703 178.166 1.537 19003 6536 1 18 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.893 -0.450 19003 6537 1 18 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.191 -0.184 19003 6538 1 18 . 1 1 42 42 ASP H H 42 7.979 7.979 8.250 -0.271 19003 6539 1 18 . 1 1 43 43 PHE N N 43 123.091 123.091 121.005 2.086 19003 6540 1 18 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.001 0.009 19003 6541 1 18 . 1 1 43 43 PHE C C 43 175.459 175.459 176.493 -1.034 19003 6542 1 18 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.114 0.034 19003 6543 1 18 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.118 0.615 19003 6544 1 18 . 1 1 43 43 PHE H H 43 8.656 8.656 7.527 1.129 19003 6545 1 18 . 1 1 44 44 LEU N N 44 119.965 119.965 118.367 1.598 19003 6546 1 18 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.643 -0.213 19003 6547 1 18 . 1 1 44 44 LEU C C 44 180.537 180.537 178.884 1.653 19003 6548 1 18 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.914 -0.198 19003 6549 1 18 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.787 0.438 19003 6550 1 18 . 1 1 44 44 LEU H H 44 8.702 8.702 8.746 -0.044 19003 6551 1 18 . 1 1 45 45 MET N N 45 118.100 118.100 118.086 0.014 19003 6552 1 18 . 1 1 45 45 MET HA H 45 4.117 4.117 4.104 0.013 19003 6553 1 18 . 1 1 45 45 MET C C 45 178.274 178.274 178.826 -0.552 19003 6554 1 18 . 1 1 45 45 MET CA C 45 58.421 58.421 59.190 -0.769 19003 6555 1 18 . 1 1 45 45 MET CB C 45 32.268 32.268 32.731 -0.463 19003 6556 1 18 . 1 1 45 45 MET H H 45 7.829 7.829 7.606 0.223 19003 6557 1 18 . 1 1 46 46 LEU N N 46 123.359 123.359 119.234 4.125 19003 6558 1 18 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.634 0.208 19003 6559 1 18 . 1 1 46 46 LEU C C 46 176.531 176.531 178.711 -2.180 19003 6560 1 18 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.660 -0.042 19003 6561 1 18 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.389 1.404 19003 6562 1 18 . 1 1 46 46 LEU H H 46 7.659 7.659 7.838 -0.179 19003 6563 1 18 . 1 1 47 47 ARG N N 47 118.271 118.271 117.811 0.460 19003 6564 1 18 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.628 -0.877 19003 6565 1 18 . 1 1 47 47 ARG C C 47 178.363 178.363 177.866 0.497 19003 6566 1 18 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.086 -1.082 19003 6567 1 18 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.570 0.537 19003 6568 1 18 . 1 1 47 47 ARG H H 47 7.955 7.955 7.605 0.350 19003 6569 1 18 . 1 1 48 48 HIS N N 48 117.915 117.915 119.415 -1.500 19003 6570 1 18 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.045 0.180 19003 6571 1 18 . 1 1 48 48 HIS C C 48 177.097 177.097 177.687 -0.590 19003 6572 1 18 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.472 -0.161 19003 6573 1 18 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.724 0.854 19003 6574 1 18 . 1 1 48 48 HIS H H 48 7.609 7.609 8.070 -0.461 19003 6575 1 18 . 1 1 49 49 ARG N N 49 116.831 116.831 118.152 -1.321 19003 6576 1 18 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.915 0.063 19003 6577 1 18 . 1 1 49 49 ARG C C 49 179.242 179.242 178.747 0.495 19003 6578 1 18 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.481 -0.422 19003 6579 1 18 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.977 -1.287 19003 6580 1 18 . 1 1 49 49 ARG H H 49 7.980 7.980 8.493 -0.513 19003 6581 1 18 . 1 1 50 50 ALA N N 50 122.916 122.916 122.828 0.088 19003 6582 1 18 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.152 -0.172 19003 6583 1 18 . 1 1 50 50 ALA C C 50 181.207 181.207 179.405 1.802 19003 6584 1 18 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.753 0.288 19003 6585 1 18 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.456 0.736 19003 6586 1 18 . 1 1 50 50 ALA H H 50 8.734 8.734 7.684 1.050 19003 6587 1 18 . 1 1 51 51 ALA N N 51 122.005 122.005 120.810 1.195 19003 6588 1 18 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.075 0.038 19003 6589 1 18 . 1 1 51 51 ALA C C 51 179.033 179.033 179.445 -0.412 19003 6590 1 18 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.612 -0.030 19003 6591 1 18 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.999 -0.980 19003 6592 1 18 . 1 1 51 51 ALA H H 51 7.861 7.861 8.033 -0.172 19003 6593 1 18 . 1 1 52 52 LEU N N 52 117.205 117.205 117.125 0.080 19003 6594 1 18 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.352 -0.094 19003 6595 1 18 . 1 1 52 52 LEU C C 52 177.842 177.842 178.192 -0.350 19003 6596 1 18 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.290 -1.667 19003 6597 1 18 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.706 -1.097 19003 6598 1 18 . 1 1 52 52 LEU H H 52 7.277 7.277 8.714 -1.437 19003 6599 1 18 . 1 1 53 53 GLY N N 53 105.824 105.824 103.554 2.270 19003 6600 1 18 . 1 1 53 53 GLY C C 53 174.745 174.745 173.010 1.735 19003 6601 1 18 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.916 0.607 19003 6602 1 18 . 1 1 53 53 GLY H H 53 7.616 7.616 7.776 -0.160 19003 6603 1 18 . 1 1 54 54 ALA N N 54 122.086 122.086 123.050 -0.964 19003 6604 1 18 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.719 -0.492 19003 6605 1 18 . 1 1 54 54 ALA C C 54 178.035 178.035 175.197 2.838 19003 6606 1 18 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.483 1.958 19003 6607 1 18 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.623 -1.898 19003 6608 1 18 . 1 1 54 54 ALA H H 54 7.637 7.637 8.066 -0.429 19003 6609 1 18 . 1 1 55 55 ASP N N 55 118.303 118.303 120.344 -2.041 19003 6610 1 18 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.761 -0.015 19003 6611 1 18 . 1 1 55 55 ASP C C 55 176.129 176.129 175.049 1.080 19003 6612 1 18 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.584 -0.590 19003 6613 1 18 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.334 -0.992 19003 6614 1 18 . 1 1 55 55 ASP H H 55 8.540 8.540 8.467 0.073 19003 6615 1 18 . 1 1 56 56 ASP N N 56 116.381 116.381 120.999 -4.618 19003 6616 1 18 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.555 0.058 19003 6617 1 18 . 1 1 56 56 ASP C C 56 175.638 175.638 177.726 -2.088 19003 6618 1 18 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.352 -0.823 19003 6619 1 18 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.044 0.009 19003 6620 1 18 . 1 1 56 56 ASP H H 56 7.469 7.469 8.016 -0.547 19003 6621 1 18 . 1 1 57 57 ASN N N 57 118.913 118.913 124.959 -6.046 19003 6622 1 18 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.332 -0.001 19003 6623 1 18 . 1 1 57 57 ASN C C 57 176.963 176.963 176.638 0.325 19003 6624 1 18 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.343 1.011 19003 6625 1 18 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.113 1.183 19003 6626 1 18 . 1 1 57 57 ASN H H 57 9.033 9.033 8.843 0.190 19003 6627 1 18 . 1 1 58 58 ASP N N 58 117.610 117.610 121.332 -3.722 19003 6628 1 18 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.495 -0.010 19003 6629 1 18 . 1 1 58 58 ASP C C 58 178.944 178.944 178.066 0.878 19003 6630 1 18 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.261 0.359 19003 6631 1 18 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.478 -0.471 19003 6632 1 18 . 1 1 58 58 ASP H H 58 8.519 8.519 8.102 0.417 19003 6633 1 18 . 1 1 59 59 ALA N N 59 126.800 126.800 122.048 4.752 19003 6634 1 18 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.061 -0.083 19003 6635 1 18 . 1 1 59 59 ALA C C 59 178.974 178.974 179.252 -0.278 19003 6636 1 18 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.218 0.534 19003 6637 1 18 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.602 0.501 19003 6638 1 18 . 1 1 59 59 ALA H H 59 8.067 8.067 7.612 0.455 19003 6639 1 18 . 1 1 60 60 VAL N N 60 119.673 119.673 117.121 2.552 19003 6640 1 18 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.787 -0.198 19003 6641 1 18 . 1 1 60 60 VAL C C 60 179.934 179.934 177.504 2.430 19003 6642 1 18 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.628 1.117 19003 6643 1 18 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.196 0.925 19003 6644 1 18 . 1 1 61 61 LYS N N 61 119.673 119.673 121.442 -1.769 19003 6645 1 18 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.041 0.161 19003 6646 1 18 . 1 1 61 61 LYS C C 61 180.135 180.135 179.028 1.107 19003 6647 1 18 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.632 -0.195 19003 6648 1 18 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.056 0.301 19003 6649 1 18 . 1 1 61 61 LYS H H 61 8.383 8.383 8.471 -0.088 19003 6650 1 18 . 1 1 62 62 PHE N N 62 122.324 122.324 122.137 0.187 19003 6651 1 18 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.295 0.039 19003 6652 1 18 . 1 1 62 62 PHE C C 62 177.038 177.038 177.171 -0.133 19003 6653 1 18 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.446 1.245 19003 6654 1 18 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.334 -0.127 19003 6655 1 18 . 1 1 62 62 PHE H H 62 8.510 8.510 8.246 0.264 19003 6656 1 18 . 1 1 63 63 ARG N N 63 119.741 119.741 119.876 -0.135 19003 6657 1 18 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.953 0.121 19003 6658 1 18 . 1 1 63 63 ARG C C 63 178.586 178.586 178.520 0.066 19003 6659 1 18 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.607 1.572 19003 6660 1 18 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.677 1.079 19003 6661 1 18 . 1 1 63 63 ARG H H 63 8.724 8.724 8.850 -0.126 19003 6662 1 18 . 1 1 64 64 SER N N 64 113.962 113.962 115.837 -1.875 19003 6663 1 18 . 1 1 64 64 SER HA H 64 4.324 4.324 4.170 0.154 19003 6664 1 18 . 1 1 64 64 SER C C 64 177.297 177.297 176.523 0.774 19003 6665 1 18 . 1 1 64 64 SER CA C 64 61.550 61.550 62.386 -0.836 19003 6666 1 18 . 1 1 64 64 SER CB C 64 62.316 62.316 63.054 -0.738 19003 6667 1 18 . 1 1 64 64 SER H H 64 8.224 8.224 8.655 -0.431 19003 6668 1 18 . 1 1 65 65 TRP N N 65 123.490 123.490 123.351 0.139 19003 6669 1 18 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.364 -0.211 19003 6670 1 18 . 1 1 65 65 TRP C C 65 178.318 178.318 177.782 0.536 19003 6671 1 18 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.243 1.469 19003 6672 1 18 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.546 -2.259 19003 6673 1 18 . 1 1 65 65 TRP H H 65 8.054 8.054 8.040 0.014 19003 6674 1 18 . 1 1 66 66 TRP N N 66 122.351 122.351 119.554 2.797 19003 6675 1 18 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.207 -0.119 19003 6676 1 18 . 1 1 66 66 TRP C C 66 178.959 178.959 176.955 2.004 19003 6677 1 18 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.626 1.627 19003 6678 1 18 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.568 -0.058 19003 6679 1 18 . 1 1 66 66 TRP H H 66 9.333 9.333 8.754 0.579 19003 6680 1 18 . 1 1 67 67 ASN N N 67 115.529 115.529 115.642 -0.113 19003 6681 1 18 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.594 -0.218 19003 6682 1 18 . 1 1 67 67 ASN C C 67 176.591 176.591 175.363 1.228 19003 6683 1 18 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.045 0.263 19003 6684 1 18 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.709 -0.214 19003 6685 1 18 . 1 1 67 67 ASN H H 67 8.586 8.586 8.417 0.169 19003 6686 1 18 . 1 1 68 68 SER N N 68 114.677 114.677 113.490 1.187 19003 6687 1 18 . 1 1 68 68 SER HA H 68 4.332 4.332 4.409 -0.077 19003 6688 1 18 . 1 1 68 68 SER C C 68 174.581 174.581 174.365 0.216 19003 6689 1 18 . 1 1 68 68 SER CA C 68 59.578 59.578 59.822 -0.244 19003 6690 1 18 . 1 1 68 68 SER CB C 68 63.670 63.670 63.859 -0.189 19003 6691 1 18 . 1 1 68 68 SER H H 68 7.600 7.600 7.409 0.191 19003 6692 1 18 . 1 1 69 69 ARG N N 69 121.618 121.618 118.999 2.619 19003 6693 1 18 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.384 -0.505 19003 6694 1 18 . 1 1 69 69 ARG C C 69 176.963 176.963 176.904 0.059 19003 6695 1 18 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.350 -0.263 19003 6696 1 18 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.682 -0.727 19003 6697 1 18 . 1 1 69 69 ARG H H 69 6.992 6.992 7.089 -0.097 19003 6698 1 18 . 1 1 70 70 THR N N 70 114.140 114.140 113.882 0.258 19003 6699 1 18 . 1 1 70 70 THR HA H 70 4.030 4.030 4.030 0.000 19003 6700 1 18 . 1 1 70 70 THR C C 70 174.506 174.506 174.119 0.387 19003 6701 1 18 . 1 1 70 70 THR CA C 70 62.513 62.513 62.221 0.292 19003 6702 1 18 . 1 1 70 70 THR CB C 70 69.378 69.378 69.332 0.046 19003 6703 1 18 . 1 1 71 71 LYS N N 71 123.490 123.490 115.716 7.774 19003 6704 1 18 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.859 0.328 19003 6705 1 18 . 1 1 71 71 LYS C C 71 176.531 176.531 175.509 1.022 19003 6706 1 18 . 1 1 71 71 LYS CA C 71 56.286 56.286 57.138 -0.852 19003 6707 1 18 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.468 2.156 19003 6708 1 18 . 1 1 71 71 LYS H H 71 8.051 8.051 7.863 0.188 19003 6709 1 18 . 1 1 72 72 MET N N 72 121.388 121.388 112.119 9.269 19003 6710 1 18 . 1 1 72 72 MET HA H 72 4.376 4.376 4.343 0.033 19003 6711 1 18 . 1 1 72 72 MET C C 72 176.115 176.115 175.730 0.385 19003 6712 1 18 . 1 1 72 72 MET CA C 72 55.397 55.397 57.517 -2.120 19003 6713 1 18 . 1 1 72 72 MET CB C 72 32.446 32.446 32.036 0.410 19003 6714 1 18 . 1 1 72 72 MET H H 72 8.305 8.305 7.261 1.044 19003 6715 1 18 . 1 1 73 73 ALA N N 73 124.890 124.890 121.259 3.631 19003 6716 1 18 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.919 -0.690 19003 6717 1 18 . 1 1 73 73 ALA C C 73 177.499 177.499 177.307 0.192 19003 6718 1 18 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.160 1.479 19003 6719 1 18 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.018 -0.915 19003 6720 1 18 . 1 1 73 73 ALA H H 73 8.272 8.272 8.623 -0.351 19003 6721 1 18 . 1 1 74 74 ASN N N 74 117.940 117.940 119.410 -1.470 19003 6722 1 18 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.294 0.336 19003 6723 1 18 . 1 1 74 74 ASN C C 74 174.893 174.893 174.429 0.464 19003 6724 1 18 . 1 1 74 74 ASN CA C 74 53.084 53.084 57.162 -4.078 19003 6725 1 18 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.914 1.204 19003 6726 1 18 . 1 1 74 74 ASN H H 74 8.408 8.408 8.623 -0.215 19003 6727 1 18 . 1 1 75 75 ASP N N 75 120.439 120.439 115.710 4.729 19003 6728 1 18 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.708 -0.166 19003 6729 1 18 . 1 1 75 75 ASP C C 75 175.861 175.861 174.987 0.874 19003 6730 1 18 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.342 0.898 19003 6731 1 18 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.066 1.010 19003 6732 1 18 . 1 1 75 75 ASP H H 75 8.298 8.298 8.001 0.297 19003 6733 1 19 . 1 1 11 11 THR N N 11 114.405 114.405 114.131 0.274 19003 6734 1 19 . 1 1 11 11 THR HA H 11 4.246 4.246 4.187 0.059 19003 6735 1 19 . 1 1 11 11 THR C C 11 174.586 174.586 172.799 1.787 19003 6736 1 19 . 1 1 11 11 THR CA C 11 62.246 62.246 60.338 1.908 19003 6737 1 19 . 1 1 11 11 THR CB C 11 69.310 69.310 70.655 -1.345 19003 6738 1 19 . 1 1 12 12 TYR N N 12 123.008 123.008 118.870 4.138 19003 6739 1 19 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.961 -0.566 19003 6740 1 19 . 1 1 12 12 TYR C C 12 176.070 176.070 174.320 1.750 19003 6741 1 19 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.922 1.588 19003 6742 1 19 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.695 -2.111 19003 6743 1 19 . 1 1 12 12 TYR H H 12 8.274 8.274 8.025 0.249 19003 6744 1 19 . 1 1 13 13 ARG N N 13 123.852 123.852 119.924 3.928 19003 6745 1 19 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.412 -0.162 19003 6746 1 19 . 1 1 13 13 ARG C C 13 176.829 176.829 175.528 1.301 19003 6747 1 19 . 1 1 13 13 ARG CA C 13 56.375 56.375 56.085 0.290 19003 6748 1 19 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.749 -2.260 19003 6749 1 19 . 1 1 13 13 ARG H H 13 8.371 8.371 8.668 -0.297 19003 6750 1 19 . 1 1 14 14 GLY N N 14 108.394 108.394 110.477 -2.083 19003 6751 1 19 . 1 1 14 14 GLY C C 14 173.911 173.911 173.996 -0.085 19003 6752 1 19 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.612 -0.445 19003 6753 1 19 . 1 1 14 14 GLY H H 14 7.646 7.646 8.501 -0.855 19003 6754 1 19 . 1 1 15 15 ARG N N 15 121.238 121.238 117.880 3.358 19003 6755 1 19 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.428 -0.162 19003 6756 1 19 . 1 1 15 15 ARG C C 15 177.053 177.053 176.182 0.871 19003 6757 1 19 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.511 1.775 19003 6758 1 19 . 1 1 15 15 ARG CB C 15 30.578 30.578 29.671 0.907 19003 6759 1 19 . 1 1 15 15 ARG H H 15 8.568 8.568 7.878 0.690 19003 6760 1 19 . 1 1 16 16 GLY N N 16 110.085 110.085 109.401 0.684 19003 6761 1 19 . 1 1 16 16 GLY C C 16 173.911 173.911 174.909 -0.998 19003 6762 1 19 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.456 0.067 19003 6763 1 19 . 1 1 16 16 GLY H H 16 8.525 8.525 8.650 -0.125 19003 6764 1 19 . 1 1 17 17 VAL N N 17 119.300 119.300 115.310 3.990 19003 6765 1 19 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.979 0.070 19003 6766 1 19 . 1 1 17 17 VAL C C 17 175.147 175.147 176.331 -1.184 19003 6767 1 19 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.825 -0.935 19003 6768 1 19 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.086 0.627 19003 6769 1 19 . 1 1 18 18 ALA N N 18 128.131 128.131 129.081 -0.950 19003 6770 1 19 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.107 0.227 19003 6771 1 19 . 1 1 18 18 ALA C C 18 177.082 177.082 176.685 0.397 19003 6772 1 19 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.606 0.410 19003 6773 1 19 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.697 0.317 19003 6774 1 19 . 1 1 18 18 ALA H H 18 8.367 8.367 8.399 -0.032 19003 6775 1 19 . 1 1 19 19 LEU N N 19 122.503 122.503 117.462 5.041 19003 6776 1 19 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.057 0.581 19003 6777 1 19 . 1 1 19 19 LEU C C 19 177.058 177.058 175.844 1.214 19003 6778 1 19 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.524 -0.928 19003 6779 1 19 . 1 1 19 19 LEU CB C 19 43.832 43.832 42.125 1.707 19003 6780 1 19 . 1 1 19 19 LEU H H 19 8.160 8.160 7.640 0.520 19003 6781 1 19 . 1 1 20 20 THR N N 20 115.199 115.199 114.605 0.594 19003 6782 1 19 . 1 1 20 20 THR HA H 20 4.524 4.524 4.343 0.181 19003 6783 1 19 . 1 1 20 20 THR C C 20 177.950 177.950 175.524 2.426 19003 6784 1 19 . 1 1 20 20 THR CA C 20 61.001 61.001 60.818 0.183 19003 6785 1 19 . 1 1 20 20 THR CB C 20 70.697 70.697 70.267 0.429 19003 6786 1 19 . 1 1 21 21 ASP N N 21 121.413 121.413 125.439 -4.026 19003 6787 1 19 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.323 0.193 19003 6788 1 19 . 1 1 21 21 ASP C C 21 178.378 178.378 177.877 0.501 19003 6789 1 19 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.728 -0.930 19003 6790 1 19 . 1 1 21 21 ASP CB C 21 39.918 39.918 40.900 -0.982 19003 6791 1 19 . 1 1 21 21 ASP H H 21 8.962 8.962 8.903 0.059 19003 6792 1 19 . 1 1 22 22 ASP N N 22 117.981 117.981 119.757 -1.776 19003 6793 1 19 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.452 0.104 19003 6794 1 19 . 1 1 22 22 ASP C C 22 178.869 178.869 178.232 0.637 19003 6795 1 19 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.528 0.181 19003 6796 1 19 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.141 -0.867 19003 6797 1 19 . 1 1 22 22 ASP H H 22 8.467 8.467 8.481 -0.014 19003 6798 1 19 . 1 1 23 23 GLU N N 23 120.900 120.900 119.839 1.061 19003 6799 1 19 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.183 -0.005 19003 6800 1 19 . 1 1 23 23 GLU C C 23 178.452 178.452 178.817 -0.365 19003 6801 1 19 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.532 0.135 19003 6802 1 19 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.376 1.312 19003 6803 1 19 . 1 1 23 23 GLU H H 23 7.933 7.933 8.642 -0.709 19003 6804 1 19 . 1 1 24 24 TYR N N 24 119.764 119.764 119.875 -0.111 19003 6805 1 19 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.908 0.415 19003 6806 1 19 . 1 1 24 24 TYR C C 24 177.589 177.589 177.539 0.050 19003 6807 1 19 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.438 1.060 19003 6808 1 19 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.626 -0.147 19003 6809 1 19 . 1 1 24 24 TYR H H 24 8.539 8.539 7.879 0.660 19003 6810 1 19 . 1 1 25 25 ASP N N 25 119.296 119.296 118.482 0.814 19003 6811 1 19 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.402 0.074 19003 6812 1 19 . 1 1 25 25 ASP C C 25 179.078 179.078 178.912 0.166 19003 6813 1 19 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.578 -0.046 19003 6814 1 19 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.918 -0.737 19003 6815 1 19 . 1 1 25 25 ASP H H 25 8.369 8.369 7.842 0.527 19003 6816 1 19 . 1 1 26 26 GLU N N 26 121.770 121.770 119.037 2.733 19003 6817 1 19 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.246 -0.041 19003 6818 1 19 . 1 1 26 26 GLU C C 26 177.514 177.514 178.738 -1.224 19003 6819 1 19 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.481 0.919 19003 6820 1 19 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.301 1.476 19003 6821 1 19 . 1 1 26 26 GLU H H 26 8.356 8.356 8.599 -0.243 19003 6822 1 19 . 1 1 27 27 TRP N N 27 122.248 122.248 122.051 0.197 19003 6823 1 19 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.189 -0.011 19003 6824 1 19 . 1 1 27 27 TRP C C 27 177.873 177.873 177.287 0.586 19003 6825 1 19 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.813 -0.928 19003 6826 1 19 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.371 2.207 19003 6827 1 19 . 1 1 27 27 TRP H H 27 8.314 8.314 8.022 0.292 19003 6828 1 19 . 1 1 28 28 ARG N N 28 117.274 117.274 117.564 -0.290 19003 6829 1 19 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.083 -0.013 19003 6830 1 19 . 1 1 28 28 ARG C C 28 179.775 179.775 178.478 1.297 19003 6831 1 19 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.402 -0.981 19003 6832 1 19 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.468 0.266 19003 6833 1 19 . 1 1 28 28 ARG H H 28 7.974 7.974 7.432 0.542 19003 6834 1 19 . 1 1 29 29 GLU N N 29 121.770 121.770 119.897 1.873 19003 6835 1 19 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.095 -0.046 19003 6836 1 19 . 1 1 29 29 GLU C C 29 178.720 178.720 178.211 0.509 19003 6837 1 19 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.136 -0.181 19003 6838 1 19 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.809 -0.298 19003 6839 1 19 . 1 1 29 29 GLU H H 29 8.591 8.591 7.636 0.955 19003 6840 1 19 . 1 1 30 30 HIS N N 30 121.863 121.863 119.517 2.346 19003 6841 1 19 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.351 -1.216 19003 6842 1 19 . 1 1 30 30 HIS C C 30 176.308 176.308 177.561 -1.253 19003 6843 1 19 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.481 0.772 19003 6844 1 19 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.177 -2.308 19003 6845 1 19 . 1 1 30 30 HIS H H 30 8.723 8.723 8.655 0.068 19003 6846 1 19 . 1 1 31 31 ASN N N 31 117.257 117.257 117.424 -0.167 19003 6847 1 19 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.055 0.001 19003 6848 1 19 . 1 1 31 31 ASN C C 31 178.035 178.035 176.867 1.168 19003 6849 1 19 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.074 -0.895 19003 6850 1 19 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.194 -1.371 19003 6851 1 19 . 1 1 31 31 ASN H H 31 7.405 7.405 8.255 -0.850 19003 6852 1 19 . 1 1 32 32 ALA N N 32 120.650 120.650 121.303 -0.653 19003 6853 1 19 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.948 0.117 19003 6854 1 19 . 1 1 32 32 ALA C C 32 180.463 180.463 180.039 0.424 19003 6855 1 19 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.898 -0.212 19003 6856 1 19 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.367 -0.154 19003 6857 1 19 . 1 1 32 32 ALA H H 32 7.905 7.905 7.198 0.707 19003 6858 1 19 . 1 1 33 33 SER N N 33 112.890 112.890 115.005 -2.115 19003 6859 1 19 . 1 1 33 33 SER HA H 33 4.205 4.205 4.275 -0.070 19003 6860 1 19 . 1 1 33 33 SER CA C 33 61.074 61.074 61.123 -0.049 19003 6861 1 19 . 1 1 33 33 SER CB C 33 63.834 63.834 63.672 0.162 19003 6862 1 19 . 1 1 33 33 SER H H 33 8.569 8.569 8.651 -0.082 19003 6863 1 19 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.042 0.119 19003 6864 1 19 . 1 1 34 34 ARG C C 34 174.641 174.641 175.660 -1.019 19003 6865 1 19 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.732 1.287 19003 6866 1 19 . 1 1 35 35 LYS N N 35 117.509 117.509 115.979 1.530 19003 6867 1 19 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.952 -0.064 19003 6868 1 19 . 1 1 35 35 LYS C C 35 175.501 175.501 175.880 -0.379 19003 6869 1 19 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.122 -0.035 19003 6870 1 19 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.436 -0.726 19003 6871 1 19 . 1 1 35 35 LYS H H 35 7.492 7.492 7.664 -0.172 19003 6872 1 19 . 1 1 36 36 LEU N N 36 118.727 118.727 116.000 2.727 19003 6873 1 19 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.548 0.047 19003 6874 1 19 . 1 1 36 36 LEU C C 36 175.281 175.281 176.072 -0.791 19003 6875 1 19 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.613 0.178 19003 6876 1 19 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.244 3.130 19003 6877 1 19 . 1 1 36 36 LEU H H 36 8.165 8.165 7.021 1.144 19003 6878 1 19 . 1 1 37 37 ASP N N 37 121.035 121.035 120.147 0.888 19003 6879 1 19 . 1 1 37 37 ASP HA H 37 4.740 4.740 5.165 -0.425 19003 6880 1 19 . 1 1 37 37 ASP C C 37 175.921 175.921 175.407 0.514 19003 6881 1 19 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.437 -0.646 19003 6882 1 19 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.823 -0.523 19003 6883 1 19 . 1 1 37 37 ASP H H 37 8.403 8.403 7.930 0.473 19003 6884 1 19 . 1 1 38 38 LEU N N 38 119.070 119.070 122.227 -3.157 19003 6885 1 19 . 1 1 38 38 LEU HA H 38 4.661 4.661 5.063 -0.402 19003 6886 1 19 . 1 1 38 38 LEU C C 38 180.209 180.209 176.003 4.206 19003 6887 1 19 . 1 1 38 38 LEU CA C 38 55.308 55.308 53.668 1.640 19003 6888 1 19 . 1 1 38 38 LEU CB C 38 43.210 43.210 45.592 -2.382 19003 6889 1 19 . 1 1 38 38 LEU H H 38 7.515 7.515 8.437 -0.922 19003 6890 1 19 . 1 1 39 39 SER N N 39 122.093 122.093 115.533 6.560 19003 6891 1 19 . 1 1 39 39 SER HA H 39 4.663 4.663 5.029 -0.366 19003 6892 1 19 . 1 1 39 39 SER C C 39 174.730 174.730 174.879 -0.149 19003 6893 1 19 . 1 1 39 39 SER CA C 39 57.343 57.343 57.292 0.050 19003 6894 1 19 . 1 1 39 39 SER CB C 39 64.879 64.879 64.504 0.375 19003 6895 1 19 . 1 1 39 39 SER H H 39 9.706 9.706 8.308 1.398 19003 6896 1 19 . 1 1 40 40 VAL N N 40 122.917 122.917 122.920 -0.003 19003 6897 1 19 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.161 0.507 19003 6898 1 19 . 1 1 40 40 VAL C C 40 177.187 177.187 176.821 0.366 19003 6899 1 19 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.130 1.242 19003 6900 1 19 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.225 -0.372 19003 6901 1 19 . 1 1 41 41 GLU N N 41 118.661 118.661 119.404 -0.743 19003 6902 1 19 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.771 0.044 19003 6903 1 19 . 1 1 41 41 GLU C C 41 179.108 179.108 178.184 0.924 19003 6904 1 19 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.600 0.134 19003 6905 1 19 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.482 0.406 19003 6906 1 19 . 1 1 41 41 GLU H H 41 8.725 8.725 8.419 0.306 19003 6907 1 19 . 1 1 42 42 ASP N N 42 120.291 120.291 118.488 1.803 19003 6908 1 19 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.327 0.097 19003 6909 1 19 . 1 1 42 42 ASP C C 42 179.703 179.703 178.255 1.448 19003 6910 1 19 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.906 -0.463 19003 6911 1 19 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.152 -0.145 19003 6912 1 19 . 1 1 42 42 ASP H H 42 7.979 7.979 8.500 -0.521 19003 6913 1 19 . 1 1 43 43 PHE N N 43 123.091 123.091 120.665 2.426 19003 6914 1 19 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.118 -0.108 19003 6915 1 19 . 1 1 43 43 PHE C C 43 175.459 175.459 176.312 -0.853 19003 6916 1 19 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.820 0.328 19003 6917 1 19 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.118 0.615 19003 6918 1 19 . 1 1 43 43 PHE H H 43 8.656 8.656 7.213 1.443 19003 6919 1 19 . 1 1 44 44 LEU N N 44 119.965 119.965 118.384 1.581 19003 6920 1 19 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.662 -0.232 19003 6921 1 19 . 1 1 44 44 LEU C C 44 180.537 180.537 178.922 1.615 19003 6922 1 19 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.750 -0.034 19003 6923 1 19 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.756 0.469 19003 6924 1 19 . 1 1 44 44 LEU H H 44 8.702 8.702 8.617 0.085 19003 6925 1 19 . 1 1 45 45 MET N N 45 118.100 118.100 118.451 -0.351 19003 6926 1 19 . 1 1 45 45 MET HA H 45 4.117 4.117 4.047 0.070 19003 6927 1 19 . 1 1 45 45 MET C C 45 178.274 178.274 178.738 -0.464 19003 6928 1 19 . 1 1 45 45 MET CA C 45 58.421 58.421 59.341 -0.920 19003 6929 1 19 . 1 1 45 45 MET CB C 45 32.268 32.268 32.726 -0.458 19003 6930 1 19 . 1 1 45 45 MET H H 45 7.829 7.829 7.793 0.036 19003 6931 1 19 . 1 1 46 46 LEU N N 46 123.359 123.359 118.912 4.447 19003 6932 1 19 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.614 0.228 19003 6933 1 19 . 1 1 46 46 LEU C C 46 176.531 176.531 178.568 -2.037 19003 6934 1 19 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.553 0.065 19003 6935 1 19 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.345 1.448 19003 6936 1 19 . 1 1 46 46 LEU H H 46 7.659 7.659 7.535 0.124 19003 6937 1 19 . 1 1 47 47 ARG N N 47 118.271 118.271 117.734 0.537 19003 6938 1 19 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.572 -0.821 19003 6939 1 19 . 1 1 47 47 ARG C C 47 178.363 178.363 177.868 0.495 19003 6940 1 19 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.336 -1.332 19003 6941 1 19 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.703 0.404 19003 6942 1 19 . 1 1 47 47 ARG H H 47 7.955 7.955 7.499 0.456 19003 6943 1 19 . 1 1 48 48 HIS N N 48 117.915 117.915 118.934 -1.019 19003 6944 1 19 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.025 0.200 19003 6945 1 19 . 1 1 48 48 HIS C C 48 177.097 177.097 177.655 -0.558 19003 6946 1 19 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.363 -0.052 19003 6947 1 19 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.820 0.758 19003 6948 1 19 . 1 1 48 48 HIS H H 48 7.609 7.609 8.143 -0.534 19003 6949 1 19 . 1 1 49 49 ARG N N 49 116.831 116.831 118.178 -1.347 19003 6950 1 19 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.883 0.095 19003 6951 1 19 . 1 1 49 49 ARG C C 49 179.242 179.242 178.758 0.484 19003 6952 1 19 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.340 -0.281 19003 6953 1 19 . 1 1 49 49 ARG CB C 49 28.690 28.690 30.010 -1.320 19003 6954 1 19 . 1 1 49 49 ARG H H 49 7.980 7.980 8.598 -0.618 19003 6955 1 19 . 1 1 50 50 ALA N N 50 122.916 122.916 122.220 0.696 19003 6956 1 19 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.117 -0.137 19003 6957 1 19 . 1 1 50 50 ALA C C 50 181.207 181.207 179.615 1.592 19003 6958 1 19 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.822 0.219 19003 6959 1 19 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.467 0.725 19003 6960 1 19 . 1 1 50 50 ALA H H 50 8.734 8.734 7.664 1.070 19003 6961 1 19 . 1 1 51 51 ALA N N 51 122.005 122.005 120.754 1.251 19003 6962 1 19 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.109 0.004 19003 6963 1 19 . 1 1 51 51 ALA C C 51 179.033 179.033 179.386 -0.353 19003 6964 1 19 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.506 0.076 19003 6965 1 19 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.832 -0.813 19003 6966 1 19 . 1 1 51 51 ALA H H 51 7.861 7.861 8.101 -0.240 19003 6967 1 19 . 1 1 52 52 LEU N N 52 117.205 117.205 117.003 0.202 19003 6968 1 19 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.360 -0.102 19003 6969 1 19 . 1 1 52 52 LEU C C 52 177.842 177.842 178.450 -0.608 19003 6970 1 19 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.410 -1.787 19003 6971 1 19 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.646 -1.037 19003 6972 1 19 . 1 1 52 52 LEU H H 52 7.277 7.277 8.483 -1.206 19003 6973 1 19 . 1 1 53 53 GLY N N 53 105.824 105.824 102.335 3.489 19003 6974 1 19 . 1 1 53 53 GLY C C 53 174.745 174.745 173.398 1.347 19003 6975 1 19 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.971 0.552 19003 6976 1 19 . 1 1 53 53 GLY H H 53 7.616 7.616 7.822 -0.206 19003 6977 1 19 . 1 1 54 54 ALA N N 54 122.086 122.086 123.834 -1.748 19003 6978 1 19 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.563 -0.336 19003 6979 1 19 . 1 1 54 54 ALA C C 54 178.035 178.035 176.229 1.806 19003 6980 1 19 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.441 1.999 19003 6981 1 19 . 1 1 54 54 ALA CB C 54 19.725 19.725 20.218 -0.492 19003 6982 1 19 . 1 1 54 54 ALA H H 54 7.637 7.637 7.731 -0.094 19003 6983 1 19 . 1 1 55 55 ASP N N 55 118.303 118.303 121.384 -3.081 19003 6984 1 19 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.649 0.097 19003 6985 1 19 . 1 1 55 55 ASP C C 55 176.129 176.129 175.045 1.084 19003 6986 1 19 . 1 1 55 55 ASP CA C 55 52.995 52.995 52.582 0.413 19003 6987 1 19 . 1 1 55 55 ASP CB C 55 41.342 41.342 41.706 -0.364 19003 6988 1 19 . 1 1 55 55 ASP H H 55 8.540 8.540 8.451 0.089 19003 6989 1 19 . 1 1 56 56 ASP N N 56 116.381 116.381 120.967 -4.586 19003 6990 1 19 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.502 0.111 19003 6991 1 19 . 1 1 56 56 ASP C C 56 175.638 175.638 177.301 -1.663 19003 6992 1 19 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.229 -0.700 19003 6993 1 19 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.849 -0.796 19003 6994 1 19 . 1 1 56 56 ASP H H 56 7.469 7.469 8.133 -0.664 19003 6995 1 19 . 1 1 57 57 ASN N N 57 118.913 118.913 120.943 -2.030 19003 6996 1 19 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.508 -0.177 19003 6997 1 19 . 1 1 57 57 ASN C C 57 176.963 176.963 177.089 -0.126 19003 6998 1 19 . 1 1 57 57 ASN CA C 57 57.354 57.354 55.327 2.027 19003 6999 1 19 . 1 1 57 57 ASN CB C 57 39.296 39.296 39.175 0.121 19003 7000 1 19 . 1 1 57 57 ASN H H 57 9.033 9.033 8.642 0.391 19003 7001 1 19 . 1 1 58 58 ASP N N 58 117.610 117.610 121.244 -3.634 19003 7002 1 19 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.412 0.073 19003 7003 1 19 . 1 1 58 58 ASP C C 58 178.944 178.944 178.111 0.833 19003 7004 1 19 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.727 -0.106 19003 7005 1 19 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.652 -0.645 19003 7006 1 19 . 1 1 58 58 ASP H H 58 8.519 8.519 8.407 0.112 19003 7007 1 19 . 1 1 59 59 ALA N N 59 126.800 126.800 122.305 4.495 19003 7008 1 19 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.103 -0.125 19003 7009 1 19 . 1 1 59 59 ALA C C 59 178.974 178.974 179.175 -0.201 19003 7010 1 19 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.234 0.518 19003 7011 1 19 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.744 0.359 19003 7012 1 19 . 1 1 59 59 ALA H H 59 8.067 8.067 7.660 0.407 19003 7013 1 19 . 1 1 60 60 VAL N N 60 119.673 119.673 115.911 3.762 19003 7014 1 19 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.685 -0.096 19003 7015 1 19 . 1 1 60 60 VAL C C 60 179.934 179.934 177.683 2.251 19003 7016 1 19 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.226 0.519 19003 7017 1 19 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.487 0.634 19003 7018 1 19 . 1 1 61 61 LYS N N 61 119.673 119.673 121.030 -1.357 19003 7019 1 19 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.107 0.095 19003 7020 1 19 . 1 1 61 61 LYS C C 61 180.135 180.135 178.981 1.154 19003 7021 1 19 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.405 0.032 19003 7022 1 19 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.163 0.194 19003 7023 1 19 . 1 1 61 61 LYS H H 61 8.383 8.383 8.676 -0.293 19003 7024 1 19 . 1 1 62 62 PHE N N 62 122.324 122.324 122.630 -0.306 19003 7025 1 19 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.290 0.044 19003 7026 1 19 . 1 1 62 62 PHE C C 62 177.038 177.038 177.080 -0.042 19003 7027 1 19 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.514 1.177 19003 7028 1 19 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.324 -0.117 19003 7029 1 19 . 1 1 62 62 PHE H H 62 8.510 8.510 8.185 0.325 19003 7030 1 19 . 1 1 63 63 ARG N N 63 119.741 119.741 119.984 -0.243 19003 7031 1 19 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.954 0.120 19003 7032 1 19 . 1 1 63 63 ARG C C 63 178.586 178.586 178.515 0.071 19003 7033 1 19 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.316 1.863 19003 7034 1 19 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.554 1.202 19003 7035 1 19 . 1 1 63 63 ARG H H 63 8.724 8.724 8.914 -0.190 19003 7036 1 19 . 1 1 64 64 SER N N 64 113.962 113.962 115.261 -1.299 19003 7037 1 19 . 1 1 64 64 SER HA H 64 4.324 4.324 4.229 0.095 19003 7038 1 19 . 1 1 64 64 SER C C 64 177.297 177.297 176.279 1.018 19003 7039 1 19 . 1 1 64 64 SER CA C 64 61.550 61.550 62.324 -0.774 19003 7040 1 19 . 1 1 64 64 SER CB C 64 62.316 62.316 62.895 -0.579 19003 7041 1 19 . 1 1 64 64 SER H H 64 8.224 8.224 8.618 -0.394 19003 7042 1 19 . 1 1 65 65 TRP N N 65 123.490 123.490 122.460 1.030 19003 7043 1 19 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.508 -0.355 19003 7044 1 19 . 1 1 65 65 TRP C C 65 178.318 178.318 178.417 -0.099 19003 7045 1 19 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.349 1.363 19003 7046 1 19 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.710 -2.423 19003 7047 1 19 . 1 1 65 65 TRP H H 65 8.054 8.054 7.967 0.087 19003 7048 1 19 . 1 1 66 66 TRP N N 66 122.351 122.351 120.751 1.600 19003 7049 1 19 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.176 -0.088 19003 7050 1 19 . 1 1 66 66 TRP C C 66 178.959 178.959 176.479 2.480 19003 7051 1 19 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.844 1.409 19003 7052 1 19 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.517 -0.007 19003 7053 1 19 . 1 1 66 66 TRP H H 66 9.333 9.333 8.867 0.466 19003 7054 1 19 . 1 1 67 67 ASN N N 67 115.529 115.529 115.798 -0.269 19003 7055 1 19 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.577 -0.201 19003 7056 1 19 . 1 1 67 67 ASN C C 67 176.591 176.591 175.463 1.128 19003 7057 1 19 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.135 0.173 19003 7058 1 19 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.770 -0.275 19003 7059 1 19 . 1 1 67 67 ASN H H 67 8.586 8.586 8.387 0.199 19003 7060 1 19 . 1 1 68 68 SER N N 68 114.677 114.677 113.695 0.982 19003 7061 1 19 . 1 1 68 68 SER HA H 68 4.332 4.332 4.383 -0.051 19003 7062 1 19 . 1 1 68 68 SER C C 68 174.581 174.581 174.422 0.159 19003 7063 1 19 . 1 1 68 68 SER CA C 68 59.578 59.578 59.964 -0.386 19003 7064 1 19 . 1 1 68 68 SER CB C 68 63.670 63.670 63.770 -0.100 19003 7065 1 19 . 1 1 68 68 SER H H 68 7.600 7.600 7.468 0.132 19003 7066 1 19 . 1 1 69 69 ARG N N 69 121.618 121.618 119.180 2.438 19003 7067 1 19 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.379 -0.500 19003 7068 1 19 . 1 1 69 69 ARG C C 69 176.963 176.963 177.053 -0.090 19003 7069 1 19 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.342 -0.254 19003 7070 1 19 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.771 -0.817 19003 7071 1 19 . 1 1 69 69 ARG H H 69 6.992 6.992 7.049 -0.057 19003 7072 1 19 . 1 1 70 70 THR N N 70 114.140 114.140 113.753 0.387 19003 7073 1 19 . 1 1 70 70 THR HA H 70 4.030 4.030 4.066 -0.036 19003 7074 1 19 . 1 1 70 70 THR C C 70 174.506 174.506 174.659 -0.153 19003 7075 1 19 . 1 1 70 70 THR CA C 70 62.513 62.513 62.524 -0.011 19003 7076 1 19 . 1 1 70 70 THR CB C 70 69.378 69.378 69.698 -0.320 19003 7077 1 19 . 1 1 71 71 LYS N N 71 123.490 123.490 116.084 7.406 19003 7078 1 19 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.820 0.367 19003 7079 1 19 . 1 1 71 71 LYS C C 71 176.531 176.531 175.670 0.861 19003 7080 1 19 . 1 1 71 71 LYS CA C 71 56.286 56.286 57.199 -0.913 19003 7081 1 19 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.744 1.880 19003 7082 1 19 . 1 1 71 71 LYS H H 71 8.051 8.051 7.753 0.298 19003 7083 1 19 . 1 1 72 72 MET N N 72 121.388 121.388 114.310 7.078 19003 7084 1 19 . 1 1 72 72 MET HA H 72 4.376 4.376 4.324 0.052 19003 7085 1 19 . 1 1 72 72 MET C C 72 176.115 176.115 175.111 1.004 19003 7086 1 19 . 1 1 72 72 MET CA C 72 55.397 55.397 57.387 -1.990 19003 7087 1 19 . 1 1 72 72 MET CB C 72 32.446 32.446 31.894 0.552 19003 7088 1 19 . 1 1 72 72 MET H H 72 8.305 8.305 7.522 0.783 19003 7089 1 19 . 1 1 73 73 ALA N N 73 124.890 124.890 122.083 2.807 19003 7090 1 19 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.638 -0.409 19003 7091 1 19 . 1 1 73 73 ALA C C 73 177.499 177.499 176.157 1.342 19003 7092 1 19 . 1 1 73 73 ALA CA C 73 52.639 52.639 52.097 0.542 19003 7093 1 19 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.230 -1.127 19003 7094 1 19 . 1 1 73 73 ALA H H 73 8.272 8.272 8.208 0.064 19003 7095 1 19 . 1 1 74 74 ASN N N 74 117.940 117.940 124.176 -6.236 19003 7096 1 19 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.477 0.153 19003 7097 1 19 . 1 1 74 74 ASN C C 74 174.893 174.893 175.000 -0.107 19003 7098 1 19 . 1 1 74 74 ASN CA C 74 53.084 53.084 53.605 -0.521 19003 7099 1 19 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.707 1.411 19003 7100 1 19 . 1 1 74 74 ASN H H 74 8.408 8.408 9.022 -0.614 19003 7101 1 19 . 1 1 75 75 ASP N N 75 120.439 120.439 116.102 4.337 19003 7102 1 19 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.232 0.310 19003 7103 1 19 . 1 1 75 75 ASP C C 75 175.861 175.861 174.820 1.041 19003 7104 1 19 . 1 1 75 75 ASP CA C 75 54.240 54.240 55.590 -1.350 19003 7105 1 19 . 1 1 75 75 ASP CB C 75 41.075 41.075 39.890 1.185 19003 7106 1 19 . 1 1 75 75 ASP H H 75 8.298 8.298 8.653 -0.355 19003 7107 1 20 . 1 1 11 11 THR N N 11 114.405 114.405 113.204 1.201 19003 7108 1 20 . 1 1 11 11 THR HA H 11 4.246 4.246 4.242 0.004 19003 7109 1 20 . 1 1 11 11 THR C C 11 174.586 174.586 173.054 1.532 19003 7110 1 20 . 1 1 11 11 THR CA C 11 62.246 62.246 60.713 1.533 19003 7111 1 20 . 1 1 11 11 THR CB C 11 69.310 69.310 70.151 -0.841 19003 7112 1 20 . 1 1 12 12 TYR N N 12 123.008 123.008 119.034 3.974 19003 7113 1 20 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.884 -0.489 19003 7114 1 20 . 1 1 12 12 TYR C C 12 176.070 176.070 174.426 1.644 19003 7115 1 20 . 1 1 12 12 TYR CA C 12 58.510 58.510 56.884 1.626 19003 7116 1 20 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.767 -2.183 19003 7117 1 20 . 1 1 12 12 TYR H H 12 8.274 8.274 8.105 0.169 19003 7118 1 20 . 1 1 13 13 ARG N N 13 123.852 123.852 119.354 4.498 19003 7119 1 20 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.443 -0.193 19003 7120 1 20 . 1 1 13 13 ARG C C 13 176.829 176.829 175.251 1.578 19003 7121 1 20 . 1 1 13 13 ARG CA C 13 56.375 56.375 56.185 0.190 19003 7122 1 20 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.991 -2.502 19003 7123 1 20 . 1 1 13 13 ARG H H 13 8.371 8.371 8.466 -0.095 19003 7124 1 20 . 1 1 14 14 GLY N N 14 108.394 108.394 108.975 -0.581 19003 7125 1 20 . 1 1 14 14 GLY C C 14 173.911 173.911 173.322 0.589 19003 7126 1 20 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.860 -0.693 19003 7127 1 20 . 1 1 14 14 GLY H H 14 7.646 7.646 8.520 -0.874 19003 7128 1 20 . 1 1 15 15 ARG N N 15 121.238 121.238 117.800 3.438 19003 7129 1 20 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.586 -0.320 19003 7130 1 20 . 1 1 15 15 ARG C C 15 177.053 177.053 176.456 0.597 19003 7131 1 20 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.963 1.323 19003 7132 1 20 . 1 1 15 15 ARG CB C 15 30.578 30.578 30.665 -0.087 19003 7133 1 20 . 1 1 15 15 ARG H H 15 8.568 8.568 7.877 0.691 19003 7134 1 20 . 1 1 16 16 GLY N N 16 110.085 110.085 108.397 1.688 19003 7135 1 20 . 1 1 16 16 GLY C C 16 173.911 173.911 173.999 -0.088 19003 7136 1 20 . 1 1 16 16 GLY CA C 16 45.523 45.523 44.995 0.528 19003 7137 1 20 . 1 1 16 16 GLY H H 16 8.525 8.525 8.532 -0.007 19003 7138 1 20 . 1 1 17 17 VAL N N 17 119.300 119.300 118.748 0.552 19003 7139 1 20 . 1 1 17 17 VAL HA H 17 4.049 4.049 4.191 -0.142 19003 7140 1 20 . 1 1 17 17 VAL C C 17 175.147 175.147 175.448 -0.301 19003 7141 1 20 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.351 -0.461 19003 7142 1 20 . 1 1 17 17 VAL CB C 17 32.713 32.713 31.774 0.939 19003 7143 1 20 . 1 1 18 18 ALA N N 18 128.131 128.131 129.194 -1.063 19003 7144 1 20 . 1 1 18 18 ALA HA H 18 4.334 4.334 3.870 0.464 19003 7145 1 20 . 1 1 18 18 ALA C C 18 177.082 177.082 177.242 -0.160 19003 7146 1 20 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.899 0.117 19003 7147 1 20 . 1 1 18 18 ALA CB C 18 19.014 19.014 18.790 0.224 19003 7148 1 20 . 1 1 18 18 ALA H H 18 8.367 8.367 8.592 -0.225 19003 7149 1 20 . 1 1 19 19 LEU N N 19 122.503 122.503 117.456 5.047 19003 7150 1 20 . 1 1 19 19 LEU HA H 19 4.638 4.638 3.959 0.679 19003 7151 1 20 . 1 1 19 19 LEU C C 19 177.058 177.058 175.629 1.429 19003 7152 1 20 . 1 1 19 19 LEU CA C 19 54.596 54.596 57.263 -2.667 19003 7153 1 20 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.130 2.702 19003 7154 1 20 . 1 1 19 19 LEU H H 19 8.160 8.160 7.895 0.265 19003 7155 1 20 . 1 1 20 20 THR N N 20 115.199 115.199 108.426 6.773 19003 7156 1 20 . 1 1 20 20 THR HA H 20 4.524 4.524 4.612 -0.088 19003 7157 1 20 . 1 1 20 20 THR C C 20 177.950 177.950 173.880 4.070 19003 7158 1 20 . 1 1 20 20 THR CA C 20 61.001 61.001 60.704 0.297 19003 7159 1 20 . 1 1 20 20 THR CB C 20 70.697 70.697 70.955 -0.258 19003 7160 1 20 . 1 1 21 21 ASP N N 21 121.413 121.413 119.008 2.405 19003 7161 1 20 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.529 -0.013 19003 7162 1 20 . 1 1 21 21 ASP C C 21 178.378 178.378 177.714 0.664 19003 7163 1 20 . 1 1 21 21 ASP CA C 21 57.798 57.798 57.171 0.627 19003 7164 1 20 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.401 -1.483 19003 7165 1 20 . 1 1 21 21 ASP H H 21 8.962 8.962 8.645 0.317 19003 7166 1 20 . 1 1 22 22 ASP N N 22 117.981 117.981 118.210 -0.229 19003 7167 1 20 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.562 -0.006 19003 7168 1 20 . 1 1 22 22 ASP C C 22 178.869 178.869 178.420 0.449 19003 7169 1 20 . 1 1 22 22 ASP CA C 22 57.709 57.709 56.761 0.948 19003 7170 1 20 . 1 1 22 22 ASP CB C 22 40.274 40.274 41.261 -0.987 19003 7171 1 20 . 1 1 22 22 ASP H H 22 8.467 8.467 8.285 0.182 19003 7172 1 20 . 1 1 23 23 GLU N N 23 120.900 120.900 120.814 0.086 19003 7173 1 20 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.203 -0.025 19003 7174 1 20 . 1 1 23 23 GLU C C 23 178.452 178.452 178.709 -0.257 19003 7175 1 20 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.630 0.037 19003 7176 1 20 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.645 1.043 19003 7177 1 20 . 1 1 23 23 GLU H H 23 7.933 7.933 8.196 -0.263 19003 7178 1 20 . 1 1 24 24 TYR N N 24 119.764 119.764 119.859 -0.095 19003 7179 1 20 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.832 0.491 19003 7180 1 20 . 1 1 24 24 TYR C C 24 177.589 177.589 177.252 0.337 19003 7181 1 20 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.905 0.593 19003 7182 1 20 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.449 0.030 19003 7183 1 20 . 1 1 24 24 TYR H H 24 8.539 8.539 7.748 0.791 19003 7184 1 20 . 1 1 25 25 ASP N N 25 119.296 119.296 117.814 1.482 19003 7185 1 20 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.387 0.089 19003 7186 1 20 . 1 1 25 25 ASP C C 25 179.078 179.078 179.088 -0.010 19003 7187 1 20 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.239 0.293 19003 7188 1 20 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.281 -0.100 19003 7189 1 20 . 1 1 25 25 ASP H H 25 8.369 8.369 8.286 0.083 19003 7190 1 20 . 1 1 26 26 GLU N N 26 121.770 121.770 119.192 2.578 19003 7191 1 20 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.325 -0.120 19003 7192 1 20 . 1 1 26 26 GLU C C 26 177.514 177.514 178.755 -1.241 19003 7193 1 20 . 1 1 26 26 GLU CA C 26 59.400 59.400 57.954 1.446 19003 7194 1 20 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.318 1.459 19003 7195 1 20 . 1 1 26 26 GLU H H 26 8.356 8.356 8.312 0.044 19003 7196 1 20 . 1 1 27 27 TRP N N 27 122.248 122.248 122.352 -0.104 19003 7197 1 20 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.347 -0.169 19003 7198 1 20 . 1 1 27 27 TRP C C 27 177.873 177.873 177.356 0.517 19003 7199 1 20 . 1 1 27 27 TRP CA C 27 59.885 59.885 61.086 -1.201 19003 7200 1 20 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.439 2.139 19003 7201 1 20 . 1 1 27 27 TRP H H 27 8.314 8.314 8.297 0.017 19003 7202 1 20 . 1 1 28 28 ARG N N 28 117.274 117.274 118.100 -0.826 19003 7203 1 20 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.337 -0.267 19003 7204 1 20 . 1 1 28 28 ARG C C 28 179.775 179.775 178.657 1.118 19003 7205 1 20 . 1 1 28 28 ARG CA C 28 58.421 58.421 58.837 -0.416 19003 7206 1 20 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.506 0.228 19003 7207 1 20 . 1 1 28 28 ARG H H 28 7.974 7.974 7.256 0.718 19003 7208 1 20 . 1 1 29 29 GLU N N 29 121.770 121.770 119.500 2.270 19003 7209 1 20 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.107 -0.058 19003 7210 1 20 . 1 1 29 29 GLU C C 29 178.720 178.720 178.270 0.450 19003 7211 1 20 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.001 -0.046 19003 7212 1 20 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.796 -0.285 19003 7213 1 20 . 1 1 29 29 GLU H H 29 8.591 8.591 7.693 0.898 19003 7214 1 20 . 1 1 30 30 HIS N N 30 121.863 121.863 119.307 2.556 19003 7215 1 20 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.379 -1.244 19003 7216 1 20 . 1 1 30 30 HIS C C 30 176.308 176.308 177.641 -1.333 19003 7217 1 20 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.478 0.775 19003 7218 1 20 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.087 -2.218 19003 7219 1 20 . 1 1 30 30 HIS H H 30 8.723 8.723 8.544 0.179 19003 7220 1 20 . 1 1 31 31 ASN N N 31 117.257 117.257 118.030 -0.773 19003 7221 1 20 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.060 -0.004 19003 7222 1 20 . 1 1 31 31 ASN C C 31 178.035 178.035 177.029 1.006 19003 7223 1 20 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.694 -1.515 19003 7224 1 20 . 1 1 31 31 ASN CB C 31 36.823 36.823 37.828 -1.005 19003 7225 1 20 . 1 1 31 31 ASN H H 31 7.405 7.405 8.138 -0.733 19003 7226 1 20 . 1 1 32 32 ALA N N 32 120.650 120.650 122.044 -1.394 19003 7227 1 20 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.974 0.091 19003 7228 1 20 . 1 1 32 32 ALA C C 32 180.463 180.463 180.104 0.359 19003 7229 1 20 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.997 -0.312 19003 7230 1 20 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.336 -0.123 19003 7231 1 20 . 1 1 32 32 ALA H H 32 7.905 7.905 7.302 0.603 19003 7232 1 20 . 1 1 33 33 SER N N 33 112.890 112.890 114.959 -2.069 19003 7233 1 20 . 1 1 33 33 SER HA H 33 4.205 4.205 4.321 -0.116 19003 7234 1 20 . 1 1 33 33 SER CA C 33 61.074 61.074 60.804 0.270 19003 7235 1 20 . 1 1 33 33 SER CB C 33 63.834 63.834 63.713 0.121 19003 7236 1 20 . 1 1 33 33 SER H H 33 8.569 8.569 8.633 -0.064 19003 7237 1 20 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.116 0.045 19003 7238 1 20 . 1 1 34 34 ARG C C 34 174.641 174.641 175.742 -1.101 19003 7239 1 20 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.701 1.318 19003 7240 1 20 . 1 1 35 35 LYS N N 35 117.509 117.509 116.890 0.619 19003 7241 1 20 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.986 -0.098 19003 7242 1 20 . 1 1 35 35 LYS C C 35 175.501 175.501 175.634 -0.133 19003 7243 1 20 . 1 1 35 35 LYS CA C 35 57.087 57.087 56.823 0.264 19003 7244 1 20 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.444 -0.734 19003 7245 1 20 . 1 1 35 35 LYS H H 35 7.492 7.492 7.777 -0.285 19003 7246 1 20 . 1 1 36 36 LEU N N 36 118.727 118.727 114.951 3.776 19003 7247 1 20 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.650 -0.055 19003 7248 1 20 . 1 1 36 36 LEU C C 36 175.281 175.281 175.163 0.118 19003 7249 1 20 . 1 1 36 36 LEU CA C 36 52.791 52.791 53.011 -0.220 19003 7250 1 20 . 1 1 36 36 LEU CB C 36 46.374 46.374 44.090 2.284 19003 7251 1 20 . 1 1 36 36 LEU H H 36 8.165 8.165 7.778 0.387 19003 7252 1 20 . 1 1 37 37 ASP N N 37 121.035 121.035 119.094 1.941 19003 7253 1 20 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.713 0.027 19003 7254 1 20 . 1 1 37 37 ASP C C 37 175.921 175.921 175.894 0.027 19003 7255 1 20 . 1 1 37 37 ASP CA C 37 52.791 52.791 52.931 -0.140 19003 7256 1 20 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.386 -0.086 19003 7257 1 20 . 1 1 37 37 ASP H H 37 8.403 8.403 8.290 0.113 19003 7258 1 20 . 1 1 38 38 LEU N N 38 119.070 119.070 117.396 1.674 19003 7259 1 20 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.443 0.218 19003 7260 1 20 . 1 1 38 38 LEU C C 38 180.209 180.209 176.676 3.533 19003 7261 1 20 . 1 1 38 38 LEU CA C 38 55.308 55.308 55.396 -0.088 19003 7262 1 20 . 1 1 38 38 LEU CB C 38 43.210 43.210 42.690 0.520 19003 7263 1 20 . 1 1 38 38 LEU H H 38 7.515 7.515 7.558 -0.043 19003 7264 1 20 . 1 1 39 39 SER N N 39 122.093 122.093 117.449 4.644 19003 7265 1 20 . 1 1 39 39 SER HA H 39 4.663 4.663 4.852 -0.189 19003 7266 1 20 . 1 1 39 39 SER C C 39 174.730 174.730 175.590 -0.860 19003 7267 1 20 . 1 1 39 39 SER CA C 39 57.343 57.343 57.508 -0.165 19003 7268 1 20 . 1 1 39 39 SER CB C 39 64.879 64.879 64.385 0.494 19003 7269 1 20 . 1 1 39 39 SER H H 39 9.706 9.706 8.614 1.092 19003 7270 1 20 . 1 1 40 40 VAL N N 40 122.917 122.917 123.077 -0.160 19003 7271 1 20 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.275 0.393 19003 7272 1 20 . 1 1 40 40 VAL C C 40 177.187 177.187 177.155 0.032 19003 7273 1 20 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.419 0.952 19003 7274 1 20 . 1 1 40 40 VAL CB C 40 30.853 30.853 31.087 -0.234 19003 7275 1 20 . 1 1 41 41 GLU N N 41 118.661 118.661 119.440 -0.779 19003 7276 1 20 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.812 0.003 19003 7277 1 20 . 1 1 41 41 GLU C C 41 179.108 179.108 178.441 0.667 19003 7278 1 20 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.571 0.163 19003 7279 1 20 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.816 0.073 19003 7280 1 20 . 1 1 41 41 GLU H H 41 8.725 8.725 8.647 0.078 19003 7281 1 20 . 1 1 42 42 ASP N N 42 120.291 120.291 118.676 1.615 19003 7282 1 20 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.336 0.088 19003 7283 1 20 . 1 1 42 42 ASP C C 42 179.703 179.703 178.246 1.457 19003 7284 1 20 . 1 1 42 42 ASP CA C 42 57.443 57.443 58.163 -0.720 19003 7285 1 20 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.244 -0.237 19003 7286 1 20 . 1 1 42 42 ASP H H 42 7.979 7.979 8.467 -0.488 19003 7287 1 20 . 1 1 43 43 PHE N N 43 123.091 123.091 120.491 2.600 19003 7288 1 20 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.084 -0.074 19003 7289 1 20 . 1 1 43 43 PHE C C 43 175.459 175.459 176.357 -0.898 19003 7290 1 20 . 1 1 43 43 PHE CA C 43 61.148 61.148 60.797 0.351 19003 7291 1 20 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.030 0.703 19003 7292 1 20 . 1 1 43 43 PHE H H 43 8.656 8.656 7.254 1.402 19003 7293 1 20 . 1 1 44 44 LEU N N 44 119.965 119.965 118.016 1.949 19003 7294 1 20 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.678 -0.248 19003 7295 1 20 . 1 1 44 44 LEU C C 44 180.537 180.537 178.949 1.588 19003 7296 1 20 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.520 0.196 19003 7297 1 20 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.783 0.442 19003 7298 1 20 . 1 1 44 44 LEU H H 44 8.702 8.702 8.541 0.161 19003 7299 1 20 . 1 1 45 45 MET N N 45 118.100 118.100 118.729 -0.629 19003 7300 1 20 . 1 1 45 45 MET HA H 45 4.117 4.117 4.095 0.022 19003 7301 1 20 . 1 1 45 45 MET C C 45 178.274 178.274 178.699 -0.425 19003 7302 1 20 . 1 1 45 45 MET CA C 45 58.421 58.421 59.388 -0.967 19003 7303 1 20 . 1 1 45 45 MET CB C 45 32.268 32.268 32.673 -0.405 19003 7304 1 20 . 1 1 45 45 MET H H 45 7.829 7.829 7.896 -0.067 19003 7305 1 20 . 1 1 46 46 LEU N N 46 123.359 123.359 118.996 4.363 19003 7306 1 20 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.696 0.146 19003 7307 1 20 . 1 1 46 46 LEU C C 46 176.531 176.531 178.833 -2.302 19003 7308 1 20 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.579 0.039 19003 7309 1 20 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.479 1.314 19003 7310 1 20 . 1 1 46 46 LEU H H 46 7.659 7.659 7.674 -0.015 19003 7311 1 20 . 1 1 47 47 ARG N N 47 118.271 118.271 118.161 0.110 19003 7312 1 20 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.629 -0.878 19003 7313 1 20 . 1 1 47 47 ARG C C 47 178.363 178.363 177.874 0.489 19003 7314 1 20 . 1 1 47 47 ARG CA C 47 58.004 58.004 59.424 -1.420 19003 7315 1 20 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.889 0.218 19003 7316 1 20 . 1 1 47 47 ARG H H 47 7.955 7.955 7.799 0.156 19003 7317 1 20 . 1 1 48 48 HIS N N 48 117.915 117.915 118.909 -0.994 19003 7318 1 20 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.070 0.155 19003 7319 1 20 . 1 1 48 48 HIS C C 48 177.097 177.097 177.807 -0.710 19003 7320 1 20 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.307 0.004 19003 7321 1 20 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.709 0.869 19003 7322 1 20 . 1 1 48 48 HIS H H 48 7.609 7.609 7.808 -0.199 19003 7323 1 20 . 1 1 49 49 ARG N N 49 116.831 116.831 118.246 -1.415 19003 7324 1 20 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.899 0.079 19003 7325 1 20 . 1 1 49 49 ARG C C 49 179.242 179.242 178.739 0.503 19003 7326 1 20 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.557 -0.499 19003 7327 1 20 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.982 -1.292 19003 7328 1 20 . 1 1 49 49 ARG H H 49 7.980 7.980 8.525 -0.545 19003 7329 1 20 . 1 1 50 50 ALA N N 50 122.916 122.916 122.520 0.396 19003 7330 1 20 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.141 -0.161 19003 7331 1 20 . 1 1 50 50 ALA C C 50 181.207 181.207 179.369 1.838 19003 7332 1 20 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.778 0.263 19003 7333 1 20 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.461 0.731 19003 7334 1 20 . 1 1 50 50 ALA H H 50 8.734 8.734 7.583 1.151 19003 7335 1 20 . 1 1 51 51 ALA N N 51 122.005 122.005 120.094 1.911 19003 7336 1 20 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.080 0.033 19003 7337 1 20 . 1 1 51 51 ALA C C 51 179.033 179.033 179.251 -0.218 19003 7338 1 20 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.574 0.008 19003 7339 1 20 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.965 -0.946 19003 7340 1 20 . 1 1 51 51 ALA H H 51 7.861 7.861 8.073 -0.212 19003 7341 1 20 . 1 1 52 52 LEU N N 52 117.205 117.205 117.055 0.150 19003 7342 1 20 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.454 -0.196 19003 7343 1 20 . 1 1 52 52 LEU C C 52 177.842 177.842 178.305 -0.463 19003 7344 1 20 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.133 -1.510 19003 7345 1 20 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.877 -1.268 19003 7346 1 20 . 1 1 52 52 LEU H H 52 7.277 7.277 8.373 -1.096 19003 7347 1 20 . 1 1 53 53 GLY N N 53 105.824 105.824 103.255 2.569 19003 7348 1 20 . 1 1 53 53 GLY C C 53 174.745 174.745 173.037 1.708 19003 7349 1 20 . 1 1 53 53 GLY CA C 53 45.523 45.523 45.185 0.338 19003 7350 1 20 . 1 1 53 53 GLY H H 53 7.616 7.616 7.808 -0.192 19003 7351 1 20 . 1 1 54 54 ALA N N 54 122.086 122.086 123.198 -1.112 19003 7352 1 20 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.673 -0.446 19003 7353 1 20 . 1 1 54 54 ALA C C 54 178.035 178.035 175.783 2.252 19003 7354 1 20 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.110 2.330 19003 7355 1 20 . 1 1 54 54 ALA CB C 54 19.725 19.725 21.064 -1.339 19003 7356 1 20 . 1 1 54 54 ALA H H 54 7.637 7.637 8.120 -0.483 19003 7357 1 20 . 1 1 55 55 ASP N N 55 118.303 118.303 122.193 -3.890 19003 7358 1 20 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.773 -0.027 19003 7359 1 20 . 1 1 55 55 ASP C C 55 176.129 176.129 175.104 1.025 19003 7360 1 20 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.523 -0.527 19003 7361 1 20 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.284 -0.942 19003 7362 1 20 . 1 1 55 55 ASP H H 55 8.540 8.540 8.497 0.043 19003 7363 1 20 . 1 1 56 56 ASP N N 56 116.381 116.381 121.374 -4.993 19003 7364 1 20 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.543 0.070 19003 7365 1 20 . 1 1 56 56 ASP C C 56 175.638 175.638 177.702 -2.064 19003 7366 1 20 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.497 -0.968 19003 7367 1 20 . 1 1 56 56 ASP CB C 56 42.053 42.053 41.930 0.123 19003 7368 1 20 . 1 1 56 56 ASP H H 56 7.469 7.469 8.070 -0.601 19003 7369 1 20 . 1 1 57 57 ASN N N 57 118.913 118.913 125.014 -6.101 19003 7370 1 20 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.350 -0.019 19003 7371 1 20 . 1 1 57 57 ASN C C 57 176.963 176.963 176.789 0.174 19003 7372 1 20 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.235 1.119 19003 7373 1 20 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.028 1.268 19003 7374 1 20 . 1 1 57 57 ASN H H 57 9.033 9.033 8.865 0.168 19003 7375 1 20 . 1 1 58 58 ASP N N 58 117.610 117.610 121.847 -4.237 19003 7376 1 20 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.460 0.025 19003 7377 1 20 . 1 1 58 58 ASP C C 58 178.944 178.944 178.243 0.701 19003 7378 1 20 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.568 0.053 19003 7379 1 20 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.517 -0.510 19003 7380 1 20 . 1 1 58 58 ASP H H 58 8.519 8.519 8.139 0.380 19003 7381 1 20 . 1 1 59 59 ALA N N 59 126.800 126.800 122.352 4.448 19003 7382 1 20 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.087 -0.109 19003 7383 1 20 . 1 1 59 59 ALA C C 59 178.974 178.974 179.325 -0.351 19003 7384 1 20 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.290 0.462 19003 7385 1 20 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.461 0.642 19003 7386 1 20 . 1 1 59 59 ALA H H 59 8.067 8.067 7.977 0.090 19003 7387 1 20 . 1 1 60 60 VAL N N 60 119.673 119.673 116.078 3.595 19003 7388 1 20 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.721 -0.132 19003 7389 1 20 . 1 1 60 60 VAL C C 60 179.934 179.934 177.553 2.381 19003 7390 1 20 . 1 1 60 60 VAL CA C 60 66.745 66.745 66.126 0.619 19003 7391 1 20 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.695 0.426 19003 7392 1 20 . 1 1 61 61 LYS N N 61 119.673 119.673 121.148 -1.475 19003 7393 1 20 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.116 0.086 19003 7394 1 20 . 1 1 61 61 LYS C C 61 180.135 180.135 179.038 1.097 19003 7395 1 20 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.374 0.063 19003 7396 1 20 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.198 0.159 19003 7397 1 20 . 1 1 61 61 LYS H H 61 8.383 8.383 8.495 -0.112 19003 7398 1 20 . 1 1 62 62 PHE N N 62 122.324 122.324 122.768 -0.444 19003 7399 1 20 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.255 0.079 19003 7400 1 20 . 1 1 62 62 PHE C C 62 177.038 177.038 176.930 0.108 19003 7401 1 20 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.594 1.097 19003 7402 1 20 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.288 -0.081 19003 7403 1 20 . 1 1 62 62 PHE H H 62 8.510 8.510 8.400 0.110 19003 7404 1 20 . 1 1 63 63 ARG N N 63 119.741 119.741 119.915 -0.174 19003 7405 1 20 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.925 0.149 19003 7406 1 20 . 1 1 63 63 ARG C C 63 178.586 178.586 178.522 0.064 19003 7407 1 20 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.507 1.672 19003 7408 1 20 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.627 1.129 19003 7409 1 20 . 1 1 63 63 ARG H H 63 8.724 8.724 8.845 -0.121 19003 7410 1 20 . 1 1 64 64 SER N N 64 113.962 113.962 115.505 -1.543 19003 7411 1 20 . 1 1 64 64 SER HA H 64 4.324 4.324 4.244 0.080 19003 7412 1 20 . 1 1 64 64 SER C C 64 177.297 177.297 176.286 1.011 19003 7413 1 20 . 1 1 64 64 SER CA C 64 61.550 61.550 62.105 -0.555 19003 7414 1 20 . 1 1 64 64 SER CB C 64 62.316 62.316 62.798 -0.482 19003 7415 1 20 . 1 1 64 64 SER H H 64 8.224 8.224 8.684 -0.460 19003 7416 1 20 . 1 1 65 65 TRP N N 65 123.490 123.490 123.023 0.467 19003 7417 1 20 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.468 -0.315 19003 7418 1 20 . 1 1 65 65 TRP C C 65 178.318 178.318 178.518 -0.200 19003 7419 1 20 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.522 1.190 19003 7420 1 20 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.570 -2.283 19003 7421 1 20 . 1 1 65 65 TRP H H 65 8.054 8.054 8.146 -0.092 19003 7422 1 20 . 1 1 66 66 TRP N N 66 122.351 122.351 120.612 1.739 19003 7423 1 20 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.129 -0.041 19003 7424 1 20 . 1 1 66 66 TRP C C 66 178.959 178.959 176.743 2.216 19003 7425 1 20 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.954 1.299 19003 7426 1 20 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.457 0.053 19003 7427 1 20 . 1 1 66 66 TRP H H 66 9.333 9.333 8.822 0.511 19003 7428 1 20 . 1 1 67 67 ASN N N 67 115.529 115.529 115.795 -0.266 19003 7429 1 20 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.512 -0.136 19003 7430 1 20 . 1 1 67 67 ASN C C 67 176.591 176.591 175.491 1.100 19003 7431 1 20 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.255 0.053 19003 7432 1 20 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.437 0.058 19003 7433 1 20 . 1 1 67 67 ASN H H 67 8.586 8.586 8.396 0.190 19003 7434 1 20 . 1 1 68 68 SER N N 68 114.677 114.677 113.733 0.944 19003 7435 1 20 . 1 1 68 68 SER HA H 68 4.332 4.332 4.398 -0.066 19003 7436 1 20 . 1 1 68 68 SER C C 68 174.581 174.581 174.314 0.267 19003 7437 1 20 . 1 1 68 68 SER CA C 68 59.578 59.578 59.838 -0.260 19003 7438 1 20 . 1 1 68 68 SER CB C 68 63.670 63.670 63.759 -0.089 19003 7439 1 20 . 1 1 68 68 SER H H 68 7.600 7.600 7.440 0.160 19003 7440 1 20 . 1 1 69 69 ARG N N 69 121.618 121.618 119.226 2.392 19003 7441 1 20 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.379 -0.500 19003 7442 1 20 . 1 1 69 69 ARG C C 69 176.963 176.963 177.179 -0.216 19003 7443 1 20 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.334 -0.247 19003 7444 1 20 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.875 -0.920 19003 7445 1 20 . 1 1 69 69 ARG H H 69 6.992 6.992 7.151 -0.159 19003 7446 1 20 . 1 1 70 70 THR N N 70 114.140 114.140 113.376 0.764 19003 7447 1 20 . 1 1 70 70 THR HA H 70 4.030 4.030 4.084 -0.054 19003 7448 1 20 . 1 1 70 70 THR C C 70 174.506 174.506 174.483 0.023 19003 7449 1 20 . 1 1 70 70 THR CA C 70 62.513 62.513 62.282 0.231 19003 7450 1 20 . 1 1 70 70 THR CB C 70 69.378 69.378 69.802 -0.424 19003 7451 1 20 . 1 1 71 71 LYS N N 71 123.490 123.490 115.696 7.794 19003 7452 1 20 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.811 0.376 19003 7453 1 20 . 1 1 71 71 LYS C C 71 176.531 176.531 175.418 1.113 19003 7454 1 20 . 1 1 71 71 LYS CA C 71 56.286 56.286 57.520 -1.234 19003 7455 1 20 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.995 1.629 19003 7456 1 20 . 1 1 71 71 LYS H H 71 8.051 8.051 7.520 0.531 19003 7457 1 20 . 1 1 72 72 MET N N 72 121.388 121.388 112.731 8.657 19003 7458 1 20 . 1 1 72 72 MET HA H 72 4.376 4.376 4.289 0.087 19003 7459 1 20 . 1 1 72 72 MET C C 72 176.115 176.115 175.811 0.304 19003 7460 1 20 . 1 1 72 72 MET CA C 72 55.397 55.397 57.279 -1.882 19003 7461 1 20 . 1 1 72 72 MET CB C 72 32.446 32.446 32.014 0.432 19003 7462 1 20 . 1 1 72 72 MET H H 72 8.305 8.305 7.496 0.809 19003 7463 1 20 . 1 1 73 73 ALA N N 73 124.890 124.890 123.476 1.414 19003 7464 1 20 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.951 -0.722 19003 7465 1 20 . 1 1 73 73 ALA C C 73 177.499 177.499 177.405 0.094 19003 7466 1 20 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.198 1.441 19003 7467 1 20 . 1 1 73 73 ALA CB C 73 19.103 19.103 20.010 -0.907 19003 7468 1 20 . 1 1 73 73 ALA H H 73 8.272 8.272 8.671 -0.399 19003 7469 1 20 . 1 1 74 74 ASN N N 74 117.940 117.940 120.321 -2.381 19003 7470 1 20 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.400 0.230 19003 7471 1 20 . 1 1 74 74 ASN C C 74 174.893 174.893 175.342 -0.449 19003 7472 1 20 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.186 -3.102 19003 7473 1 20 . 1 1 74 74 ASN CB C 74 39.118 39.118 38.461 0.657 19003 7474 1 20 . 1 1 74 74 ASN H H 74 8.408 8.408 8.951 -0.543 19003 7475 1 20 . 1 1 75 75 ASP N N 75 120.439 120.439 113.245 7.194 19003 7476 1 20 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.587 -0.045 19003 7477 1 20 . 1 1 75 75 ASP C C 75 175.861 175.861 174.507 1.354 19003 7478 1 20 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.255 0.985 19003 7479 1 20 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.688 0.387 19003 7480 1 20 . 1 1 75 75 ASP H H 75 8.298 8.298 7.591 0.707 19003 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 64 3.039 -0.647 2.993 19003 2 1 1 "Average Difference" HA 68 0.301 0.016 0.303 19003 3 1 1 "Average Difference" C 64 1.210 -0.378 1.158 19003 4 1 1 "Average Difference" CA 65 0.929 -0.040 0.936 19003 5 1 1 "Average Difference" CB 61 1.162 -0.101 1.167 19003 6 1 1 "Average Difference" HN 58 0.555 -0.089 0.552 19003 7 1 2 "Average Difference" N 64 2.955 -0.874 2.845 19003 8 1 2 "Average Difference" HA 68 0.313 0.027 0.314 19003 9 1 2 "Average Difference" C 64 1.197 -0.378 1.144 19003 10 1 2 "Average Difference" CA 65 1.057 -0.141 1.056 19003 11 1 2 "Average Difference" CB 61 1.152 -0.036 1.161 19003 12 1 2 "Average Difference" HN 58 0.565 -0.119 0.557 19003 13 1 3 "Average Difference" N 64 2.855 -0.774 2.770 19003 14 1 3 "Average Difference" HA 68 0.293 0.025 0.294 19003 15 1 3 "Average Difference" C 64 1.195 -0.454 1.114 19003 16 1 3 "Average Difference" CA 65 0.980 -0.056 0.986 19003 17 1 3 "Average Difference" CB 61 1.062 -0.003 1.070 19003 18 1 3 "Average Difference" HN 58 0.530 -0.077 0.529 19003 19 1 4 "Average Difference" N 64 3.240 -0.953 3.121 19003 20 1 4 "Average Difference" HA 68 0.298 0.029 0.299 19003 21 1 4 "Average Difference" C 64 1.240 -0.443 1.167 19003 22 1 4 "Average Difference" CA 65 1.001 -0.081 1.006 19003 23 1 4 "Average Difference" CB 61 1.123 0.040 1.132 19003 24 1 4 "Average Difference" HN 58 0.547 -0.090 0.544 19003 25 1 5 "Average Difference" N 64 2.902 -0.629 2.855 19003 26 1 5 "Average Difference" HA 68 0.299 0.043 0.298 19003 27 1 5 "Average Difference" C 64 1.236 -0.409 1.176 19003 28 1 5 "Average Difference" CA 65 1.057 -0.093 1.061 19003 29 1 5 "Average Difference" CB 61 1.175 -0.026 1.184 19003 30 1 5 "Average Difference" HN 58 0.555 -0.089 0.553 19003 31 1 6 "Average Difference" N 64 2.788 -0.748 2.707 19003 32 1 6 "Average Difference" HA 68 0.285 0.050 0.283 19003 33 1 6 "Average Difference" C 64 1.228 -0.455 1.150 19003 34 1 6 "Average Difference" CA 65 1.024 -0.165 1.019 19003 35 1 6 "Average Difference" CB 61 1.174 -0.023 1.184 19003 36 1 6 "Average Difference" HN 58 0.520 -0.078 0.519 19003 37 1 7 "Average Difference" N 64 2.861 -0.678 2.801 19003 38 1 7 "Average Difference" HA 68 0.314 0.040 0.314 19003 39 1 7 "Average Difference" C 64 1.225 -0.420 1.160 19003 40 1 7 "Average Difference" CA 65 0.977 -0.128 0.976 19003 41 1 7 "Average Difference" CB 61 1.094 -0.010 1.103 19003 42 1 7 "Average Difference" HN 58 0.551 -0.066 0.552 19003 43 1 8 "Average Difference" N 64 3.003 -1.015 2.849 19003 44 1 8 "Average Difference" HA 68 0.305 0.005 0.307 19003 45 1 8 "Average Difference" C 64 1.164 -0.358 1.116 19003 46 1 8 "Average Difference" CA 65 1.048 -0.060 1.054 19003 47 1 8 "Average Difference" CB 61 1.182 -0.045 1.191 19003 48 1 8 "Average Difference" HN 58 0.549 -0.131 0.538 19003 49 1 9 "Average Difference" N 64 3.095 -0.794 3.015 19003 50 1 9 "Average Difference" HA 68 0.297 0.034 0.297 19003 51 1 9 "Average Difference" C 64 1.202 -0.474 1.113 19003 52 1 9 "Average Difference" CA 65 1.033 -0.162 1.028 19003 53 1 9 "Average Difference" CB 61 1.095 0.042 1.104 19003 54 1 9 "Average Difference" HN 58 0.532 -0.076 0.531 19003 55 1 10 "Average Difference" N 64 3.063 -0.703 3.004 19003 56 1 10 "Average Difference" HA 68 0.299 0.029 0.300 19003 57 1 10 "Average Difference" C 64 1.177 -0.393 1.118 19003 58 1 10 "Average Difference" CA 65 1.017 -0.089 1.021 19003 59 1 10 "Average Difference" CB 61 1.074 0.049 1.082 19003 60 1 10 "Average Difference" HN 58 0.528 -0.065 0.528 19003 61 1 11 "Average Difference" N 64 3.157 -0.802 3.077 19003 62 1 11 "Average Difference" HA 68 0.288 0.005 0.290 19003 63 1 11 "Average Difference" C 64 1.235 -0.430 1.166 19003 64 1 11 "Average Difference" CA 65 0.996 -0.122 0.996 19003 65 1 11 "Average Difference" CB 61 1.229 -0.011 1.239 19003 66 1 11 "Average Difference" HN 58 0.582 -0.107 0.577 19003 67 1 12 "Average Difference" N 64 2.926 -1.006 2.769 19003 68 1 12 "Average Difference" HA 68 0.307 0.037 0.307 19003 69 1 12 "Average Difference" C 64 1.171 -0.379 1.117 19003 70 1 12 "Average Difference" CA 65 1.069 -0.097 1.073 19003 71 1 12 "Average Difference" CB 61 1.092 -0.037 1.101 19003 72 1 12 "Average Difference" HN 58 0.530 -0.068 0.531 19003 73 1 13 "Average Difference" N 64 2.971 -0.679 2.915 19003 74 1 13 "Average Difference" HA 68 0.286 0.039 0.286 19003 75 1 13 "Average Difference" C 64 1.209 -0.444 1.134 19003 76 1 13 "Average Difference" CA 65 1.085 -0.150 1.083 19003 77 1 13 "Average Difference" CB 61 1.130 -0.010 1.139 19003 78 1 13 "Average Difference" HN 58 0.524 -0.086 0.521 19003 79 1 14 "Average Difference" N 64 2.995 -0.745 2.924 19003 80 1 14 "Average Difference" HA 68 0.301 0.032 0.302 19003 81 1 14 "Average Difference" C 64 1.190 -0.378 1.138 19003 82 1 14 "Average Difference" CA 65 1.090 -0.101 1.093 19003 83 1 14 "Average Difference" CB 61 1.131 -0.004 1.140 19003 84 1 14 "Average Difference" HN 58 0.557 -0.107 0.551 19003 85 1 15 "Average Difference" N 64 3.052 -0.608 3.014 19003 86 1 15 "Average Difference" HA 68 0.291 0.019 0.293 19003 87 1 15 "Average Difference" C 64 1.182 -0.334 1.143 19003 88 1 15 "Average Difference" CA 65 1.001 -0.084 1.006 19003 89 1 15 "Average Difference" CB 61 1.096 -0.136 1.097 19003 90 1 15 "Average Difference" HN 58 0.616 -0.092 0.615 19003 91 1 16 "Average Difference" N 64 2.839 -0.718 2.768 19003 92 1 16 "Average Difference" HA 68 0.311 0.046 0.310 19003 93 1 16 "Average Difference" C 64 1.189 -0.381 1.135 19003 94 1 16 "Average Difference" CA 65 1.077 -0.137 1.076 19003 95 1 16 "Average Difference" CB 61 1.160 -0.012 1.170 19003 96 1 16 "Average Difference" HN 58 0.570 -0.068 0.571 19003 97 1 17 "Average Difference" N 64 3.119 -0.740 3.054 19003 98 1 17 "Average Difference" HA 68 0.288 0.012 0.290 19003 99 1 17 "Average Difference" C 64 1.187 -0.366 1.139 19003 100 1 17 "Average Difference" CA 65 1.042 -0.028 1.050 19003 101 1 17 "Average Difference" CB 61 1.129 -0.135 1.130 19003 102 1 17 "Average Difference" HN 58 0.549 -0.082 0.548 19003 103 1 18 "Average Difference" N 64 2.817 -0.938 2.677 19003 104 1 18 "Average Difference" HA 68 0.284 0.034 0.284 19003 105 1 18 "Average Difference" C 64 1.187 -0.468 1.100 19003 106 1 18 "Average Difference" CA 65 1.050 -0.044 1.057 19003 107 1 18 "Average Difference" CB 61 1.059 0.023 1.068 19003 108 1 18 "Average Difference" HN 58 0.527 -0.082 0.526 19003 109 1 19 "Average Difference" N 64 2.843 -0.811 2.746 19003 110 1 19 "Average Difference" HA 68 0.285 0.029 0.286 19003 111 1 19 "Average Difference" C 64 1.186 -0.461 1.102 19003 112 1 19 "Average Difference" CA 65 0.934 -0.123 0.933 19003 113 1 19 "Average Difference" CB 61 1.128 0.052 1.137 19003 114 1 19 "Average Difference" HN 58 0.565 -0.084 0.564 19003 115 1 20 "Average Difference" N 64 3.032 -1.071 2.858 19003 116 1 20 "Average Difference" HA 68 0.291 0.053 0.288 19003 117 1 20 "Average Difference" C 64 1.225 -0.466 1.141 19003 118 1 20 "Average Difference" CA 65 1.011 -0.081 1.016 19003 119 1 20 "Average Difference" CB 61 1.062 0.029 1.070 19003 120 1 20 "Average Difference" HN 58 0.499 -0.083 0.496 19003 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 19003 _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 11 11 THR N N 11 114.405 114.405 114.798 -0.393 19003 2 1 . 1 1 11 11 THR HA H 11 4.246 4.246 4.162 0.084 19003 3 1 . 1 1 11 11 THR C C 11 174.586 174.586 172.985 1.601 19003 4 1 . 1 1 11 11 THR CA C 11 62.246 62.246 60.875 1.371 19003 5 1 . 1 1 11 11 THR CB C 11 69.310 69.310 70.219 -0.909 19003 6 1 . 1 1 12 12 TYR N N 12 123.008 123.008 119.186 3.822 19003 7 1 . 1 1 12 12 TYR HA H 12 4.395 4.395 4.875 -0.480 19003 8 1 . 1 1 12 12 TYR C C 12 176.070 176.070 174.266 1.804 19003 9 1 . 1 1 12 12 TYR CA C 12 58.510 58.510 57.081 1.429 19003 10 1 . 1 1 12 12 TYR CB C 12 38.584 38.584 40.355 -1.771 19003 11 1 . 1 1 12 12 TYR H H 12 8.274 8.274 8.027 0.247 19003 12 1 . 1 1 13 13 ARG N N 13 123.852 123.852 119.575 4.277 19003 13 1 . 1 1 13 13 ARG HA H 13 4.250 4.250 4.378 -0.128 19003 14 1 . 1 1 13 13 ARG C C 13 176.829 176.829 175.735 1.094 19003 15 1 . 1 1 13 13 ARG CA C 13 56.375 56.375 55.903 0.472 19003 16 1 . 1 1 13 13 ARG CB C 13 30.489 30.489 32.783 -2.294 19003 17 1 . 1 1 13 13 ARG H H 13 8.371 8.371 8.578 -0.207 19003 18 1 . 1 1 14 14 GLY N N 14 108.394 108.394 112.854 -4.460 19003 19 1 . 1 1 14 14 GLY C C 14 173.911 173.911 174.448 -0.537 19003 20 1 . 1 1 14 14 GLY CA C 14 45.167 45.167 45.785 -0.618 19003 21 1 . 1 1 14 14 GLY H H 14 7.646 7.646 8.644 -0.998 19003 22 1 . 1 1 15 15 ARG N N 15 121.238 121.238 121.787 -0.549 19003 23 1 . 1 1 15 15 ARG HA H 15 4.266 4.266 4.306 -0.040 19003 24 1 . 1 1 15 15 ARG C C 15 177.053 177.053 176.502 0.551 19003 25 1 . 1 1 15 15 ARG CA C 15 56.286 56.286 54.481 1.805 19003 26 1 . 1 1 15 15 ARG CB C 15 30.578 30.578 28.909 1.669 19003 27 1 . 1 1 15 15 ARG H H 15 8.568 8.568 7.970 0.598 19003 28 1 . 1 1 16 16 GLY N N 16 110.085 110.085 108.791 1.293 19003 29 1 . 1 1 16 16 GLY C C 16 173.911 173.911 174.780 -0.869 19003 30 1 . 1 1 16 16 GLY CA C 16 45.523 45.523 45.288 0.235 19003 31 1 . 1 1 16 16 GLY H H 16 8.525 8.525 8.145 0.380 19003 32 1 . 1 1 17 17 VAL N N 17 119.300 119.300 115.557 3.743 19003 33 1 . 1 1 17 17 VAL HA H 17 4.049 4.049 3.999 0.050 19003 34 1 . 1 1 17 17 VAL C C 17 175.147 175.147 175.993 -0.846 19003 35 1 . 1 1 17 17 VAL CA C 17 61.890 61.890 62.990 -1.100 19003 36 1 . 1 1 17 17 VAL CB C 17 32.713 32.713 32.081 0.633 19003 37 1 . 1 1 18 18 ALA N N 18 128.131 128.131 129.209 -1.078 19003 38 1 . 1 1 18 18 ALA HA H 18 4.334 4.334 4.049 0.285 19003 39 1 . 1 1 18 18 ALA C C 18 177.082 177.082 176.816 0.266 19003 40 1 . 1 1 18 18 ALA CA C 18 52.016 52.016 51.766 0.250 19003 41 1 . 1 1 18 18 ALA CB C 18 19.014 19.014 19.053 -0.039 19003 42 1 . 1 1 18 18 ALA H H 18 8.367 8.367 8.352 0.015 19003 43 1 . 1 1 19 19 LEU N N 19 122.503 122.503 117.350 5.153 19003 44 1 . 1 1 19 19 LEU HA H 19 4.638 4.638 4.085 0.553 19003 45 1 . 1 1 19 19 LEU C C 19 177.058 177.058 176.243 0.815 19003 46 1 . 1 1 19 19 LEU CA C 19 54.596 54.596 55.736 -1.140 19003 47 1 . 1 1 19 19 LEU CB C 19 43.832 43.832 41.969 1.863 19003 48 1 . 1 1 19 19 LEU H H 19 8.160 8.160 7.661 0.499 19003 49 1 . 1 1 20 20 THR N N 20 115.199 115.199 114.110 1.089 19003 50 1 . 1 1 20 20 THR HA H 20 4.524 4.524 4.294 0.230 19003 51 1 . 1 1 20 20 THR C C 20 177.950 177.950 175.371 2.579 19003 52 1 . 1 1 20 20 THR CA C 20 61.001 61.001 62.040 -1.039 19003 53 1 . 1 1 20 20 THR CB C 20 70.697 70.697 70.187 0.510 19003 54 1 . 1 1 21 21 ASP N N 21 121.413 121.413 122.283 -0.870 19003 55 1 . 1 1 21 21 ASP HA H 21 4.516 4.516 4.408 0.108 19003 56 1 . 1 1 21 21 ASP C C 21 178.378 178.378 177.842 0.536 19003 57 1 . 1 1 21 21 ASP CA C 21 57.798 57.798 58.212 -0.414 19003 58 1 . 1 1 21 21 ASP CB C 21 39.918 39.918 41.084 -1.166 19003 59 1 . 1 1 21 21 ASP H H 21 8.962 8.962 8.887 0.075 19003 60 1 . 1 1 22 22 ASP N N 22 117.981 117.981 119.887 -1.906 19003 61 1 . 1 1 22 22 ASP HA H 22 4.556 4.556 4.513 0.043 19003 62 1 . 1 1 22 22 ASP C C 22 178.869 178.869 178.397 0.472 19003 63 1 . 1 1 22 22 ASP CA C 22 57.709 57.709 57.514 0.195 19003 64 1 . 1 1 22 22 ASP CB C 22 40.274 40.274 40.985 -0.711 19003 65 1 . 1 1 22 22 ASP H H 22 8.467 8.467 8.457 0.010 19003 66 1 . 1 1 23 23 GLU N N 23 120.900 120.900 120.193 0.707 19003 67 1 . 1 1 23 23 GLU HA H 23 4.178 4.178 4.267 -0.089 19003 68 1 . 1 1 23 23 GLU C C 23 178.452 178.452 178.688 -0.236 19003 69 1 . 1 1 23 23 GLU CA C 23 59.667 59.667 59.524 0.143 19003 70 1 . 1 1 23 23 GLU CB C 23 30.688 30.688 29.526 1.162 19003 71 1 . 1 1 23 23 GLU H H 23 7.933 7.933 8.736 -0.803 19003 72 1 . 1 1 24 24 TYR N N 24 119.764 119.764 119.928 -0.164 19003 73 1 . 1 1 24 24 TYR HA H 24 4.323 4.323 3.920 0.403 19003 74 1 . 1 1 24 24 TYR C C 24 177.589 177.589 177.534 0.055 19003 75 1 . 1 1 24 24 TYR CA C 24 62.498 62.498 61.708 0.790 19003 76 1 . 1 1 24 24 TYR CB C 24 38.479 38.479 38.523 -0.044 19003 77 1 . 1 1 24 24 TYR H H 24 8.539 8.539 7.676 0.863 19003 78 1 . 1 1 25 25 ASP N N 25 119.296 119.296 118.334 0.962 19003 79 1 . 1 1 25 25 ASP HA H 25 4.476 4.476 4.421 0.055 19003 80 1 . 1 1 25 25 ASP C C 25 179.078 179.078 178.932 0.146 19003 81 1 . 1 1 25 25 ASP CA C 25 57.532 57.532 57.754 -0.222 19003 82 1 . 1 1 25 25 ASP CB C 25 40.181 40.181 40.754 -0.573 19003 83 1 . 1 1 25 25 ASP H H 25 8.369 8.369 8.015 0.354 19003 84 1 . 1 1 26 26 GLU N N 26 121.770 121.770 119.210 2.560 19003 85 1 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.305 -0.100 19003 86 1 . 1 1 26 26 GLU C C 26 177.514 177.514 178.733 -1.219 19003 87 1 . 1 1 26 26 GLU CA C 26 59.400 59.400 58.388 1.012 19003 88 1 . 1 1 26 26 GLU CB C 26 30.777 30.777 29.439 1.338 19003 89 1 . 1 1 26 26 GLU H H 26 8.356 8.356 8.544 -0.188 19003 90 1 . 1 1 27 27 TRP N N 27 122.248 122.248 122.075 0.173 19003 91 1 . 1 1 27 27 TRP HA H 27 4.178 4.178 4.211 -0.033 19003 92 1 . 1 1 27 27 TRP C C 27 177.873 177.873 177.295 0.578 19003 93 1 . 1 1 27 27 TRP CA C 27 59.885 59.885 60.833 -0.948 19003 94 1 . 1 1 27 27 TRP CB C 27 30.578 30.578 28.381 2.197 19003 95 1 . 1 1 27 27 TRP H H 27 8.314 8.314 8.144 0.170 19003 96 1 . 1 1 28 28 ARG N N 28 117.274 117.274 117.648 -0.374 19003 97 1 . 1 1 28 28 ARG HA H 28 3.070 3.070 3.120 -0.050 19003 98 1 . 1 1 28 28 ARG C C 28 179.775 179.775 178.493 1.282 19003 99 1 . 1 1 28 28 ARG CA C 28 58.421 58.421 59.324 -0.903 19003 100 1 . 1 1 28 28 ARG CB C 28 29.734 29.734 29.418 0.316 19003 101 1 . 1 1 28 28 ARG H H 28 7.974 7.974 7.347 0.627 19003 102 1 . 1 1 29 29 GLU N N 29 121.770 121.770 119.682 2.088 19003 103 1 . 1 1 29 29 GLU HA H 29 4.049 4.049 4.091 -0.042 19003 104 1 . 1 1 29 29 GLU C C 29 178.720 178.720 178.139 0.581 19003 105 1 . 1 1 29 29 GLU CA C 29 58.955 58.955 59.077 -0.122 19003 106 1 . 1 1 29 29 GLU CB C 29 29.511 29.511 29.768 -0.257 19003 107 1 . 1 1 29 29 GLU H H 29 8.591 8.591 7.649 0.942 19003 108 1 . 1 1 30 30 HIS N N 30 121.863 121.863 119.754 2.109 19003 109 1 . 1 1 30 30 HIS HA H 30 3.135 3.135 4.367 -1.232 19003 110 1 . 1 1 30 30 HIS C C 30 176.308 176.308 177.568 -1.260 19003 111 1 . 1 1 30 30 HIS CA C 30 60.253 60.253 59.393 0.860 19003 112 1 . 1 1 30 30 HIS CB C 30 27.869 27.869 30.143 -2.274 19003 113 1 . 1 1 30 30 HIS H H 30 8.723 8.723 8.594 0.129 19003 114 1 . 1 1 31 31 ASN N N 31 117.257 117.257 117.551 -0.294 19003 115 1 . 1 1 31 31 ASN HA H 31 4.056 4.056 4.060 -0.004 19003 116 1 . 1 1 31 31 ASN C C 31 178.035 178.035 176.954 1.081 19003 117 1 . 1 1 31 31 ASN CA C 31 55.179 55.179 56.292 -1.113 19003 118 1 . 1 1 31 31 ASN CB C 31 36.823 36.823 38.103 -1.280 19003 119 1 . 1 1 31 31 ASN H H 31 7.405 7.405 8.190 -0.784 19003 120 1 . 1 1 32 32 ALA N N 32 120.650 120.650 121.765 -1.115 19003 121 1 . 1 1 32 32 ALA HA H 32 4.065 4.065 3.961 0.104 19003 122 1 . 1 1 32 32 ALA C C 32 180.463 180.463 180.154 0.309 19003 123 1 . 1 1 32 32 ALA CA C 32 54.685 54.685 54.917 -0.232 19003 124 1 . 1 1 32 32 ALA CB C 32 18.213 18.213 18.372 -0.159 19003 125 1 . 1 1 32 32 ALA H H 32 7.905 7.905 7.259 0.646 19003 126 1 . 1 1 33 33 SER N N 33 112.890 112.890 114.719 -1.829 19003 127 1 . 1 1 33 33 SER HA H 33 4.205 4.205 4.308 -0.103 19003 128 1 . 1 1 33 33 SER CA C 33 61.074 61.074 60.897 0.177 19003 129 1 . 1 1 33 33 SER CB C 33 63.834 63.834 63.677 0.157 19003 130 1 . 1 1 33 33 SER H H 33 8.569 8.569 8.665 -0.096 19003 131 1 . 1 1 34 34 ARG HA H 34 4.161 4.161 4.149 0.012 19003 132 1 . 1 1 34 34 ARG C C 34 174.641 174.641 175.634 -0.993 19003 133 1 . 1 1 34 34 ARG CA C 34 56.019 56.019 54.637 1.382 19003 134 1 . 1 1 35 35 LYS N N 35 117.509 117.509 116.315 1.194 19003 135 1 . 1 1 35 35 LYS HA H 35 3.888 3.888 3.935 -0.047 19003 136 1 . 1 1 35 35 LYS C C 35 175.501 175.501 175.931 -0.430 19003 137 1 . 1 1 35 35 LYS CA C 35 57.087 57.087 57.023 0.064 19003 138 1 . 1 1 35 35 LYS CB C 35 28.710 28.710 29.599 -0.889 19003 139 1 . 1 1 35 35 LYS H H 35 7.492 7.492 7.756 -0.264 19003 140 1 . 1 1 36 36 LEU N N 36 118.727 118.727 115.747 2.980 19003 141 1 . 1 1 36 36 LEU HA H 36 4.595 4.595 4.573 0.022 19003 142 1 . 1 1 36 36 LEU C C 36 175.281 175.281 175.817 -0.536 19003 143 1 . 1 1 36 36 LEU CA C 36 52.791 52.791 52.838 -0.047 19003 144 1 . 1 1 36 36 LEU CB C 36 46.374 46.374 43.697 2.677 19003 145 1 . 1 1 36 36 LEU H H 36 8.165 8.165 7.356 0.809 19003 146 1 . 1 1 37 37 ASP N N 37 121.035 121.035 119.539 1.496 19003 147 1 . 1 1 37 37 ASP HA H 37 4.740 4.740 4.873 -0.133 19003 148 1 . 1 1 37 37 ASP C C 37 175.921 175.921 175.550 0.371 19003 149 1 . 1 1 37 37 ASP CA C 37 52.791 52.791 53.319 -0.528 19003 150 1 . 1 1 37 37 ASP CB C 37 41.300 41.300 41.249 0.051 19003 151 1 . 1 1 37 37 ASP H H 37 8.403 8.403 8.150 0.253 19003 152 1 . 1 1 38 38 LEU N N 38 119.070 119.070 118.855 0.215 19003 153 1 . 1 1 38 38 LEU HA H 38 4.661 4.661 4.792 -0.131 19003 154 1 . 1 1 38 38 LEU C C 38 180.209 180.209 176.170 4.039 19003 155 1 . 1 1 38 38 LEU CA C 38 55.308 55.308 54.213 1.095 19003 156 1 . 1 1 38 38 LEU CB C 38 43.210 43.210 44.026 -0.816 19003 157 1 . 1 1 38 38 LEU H H 38 7.515 7.515 7.789 -0.274 19003 158 1 . 1 1 39 39 SER N N 39 122.093 122.093 116.472 5.621 19003 159 1 . 1 1 39 39 SER HA H 39 4.663 4.663 4.927 -0.264 19003 160 1 . 1 1 39 39 SER C C 39 174.730 174.730 175.260 -0.530 19003 161 1 . 1 1 39 39 SER CA C 39 57.343 57.343 57.358 -0.015 19003 162 1 . 1 1 39 39 SER CB C 39 64.879 64.879 64.486 0.393 19003 163 1 . 1 1 39 39 SER H H 39 9.706 9.706 8.547 1.159 19003 164 1 . 1 1 40 40 VAL N N 40 122.917 122.917 123.364 -0.447 19003 165 1 . 1 1 40 40 VAL HA H 40 2.668 2.668 2.163 0.505 19003 166 1 . 1 1 40 40 VAL C C 40 177.187 177.187 177.078 0.109 19003 167 1 . 1 1 40 40 VAL CA C 40 66.372 66.372 65.549 0.823 19003 168 1 . 1 1 40 40 VAL CB C 40 30.853 30.853 30.976 -0.123 19003 169 1 . 1 1 41 41 GLU N N 41 118.661 118.661 119.381 -0.720 19003 170 1 . 1 1 41 41 GLU HA H 41 3.815 3.815 3.764 0.051 19003 171 1 . 1 1 41 41 GLU C C 41 179.108 179.108 178.276 0.832 19003 172 1 . 1 1 41 41 GLU CA C 41 60.734 60.734 60.501 0.233 19003 173 1 . 1 1 41 41 GLU CB C 41 28.888 28.888 28.691 0.197 19003 174 1 . 1 1 41 41 GLU H H 41 8.725 8.725 8.593 0.132 19003 175 1 . 1 1 42 42 ASP N N 42 120.291 120.291 118.796 1.495 19003 176 1 . 1 1 42 42 ASP HA H 42 4.424 4.424 4.323 0.101 19003 177 1 . 1 1 42 42 ASP C C 42 179.703 179.703 178.308 1.395 19003 178 1 . 1 1 42 42 ASP CA C 42 57.443 57.443 57.667 -0.224 19003 179 1 . 1 1 42 42 ASP CB C 42 40.007 40.007 40.276 -0.269 19003 180 1 . 1 1 42 42 ASP H H 42 7.979 7.979 8.257 -0.278 19003 181 1 . 1 1 43 43 PHE N N 43 123.091 123.091 121.138 1.953 19003 182 1 . 1 1 43 43 PHE HA H 43 4.010 4.010 4.050 -0.040 19003 183 1 . 1 1 43 43 PHE C C 43 175.459 175.459 176.498 -1.039 19003 184 1 . 1 1 43 43 PHE CA C 43 61.148 61.148 61.045 0.103 19003 185 1 . 1 1 43 43 PHE CB C 43 39.733 39.733 39.119 0.614 19003 186 1 . 1 1 43 43 PHE H H 43 8.656 8.656 7.390 1.266 19003 187 1 . 1 1 44 44 LEU N N 44 119.965 119.965 118.612 1.353 19003 188 1 . 1 1 44 44 LEU HA H 44 3.430 3.430 3.707 -0.277 19003 189 1 . 1 1 44 44 LEU C C 44 180.537 180.537 179.000 1.537 19003 190 1 . 1 1 44 44 LEU CA C 44 57.716 57.716 57.765 -0.049 19003 191 1 . 1 1 44 44 LEU CB C 44 41.225 41.225 40.766 0.459 19003 192 1 . 1 1 44 44 LEU H H 44 8.702 8.702 8.669 0.033 19003 193 1 . 1 1 45 45 MET N N 45 118.100 118.100 118.384 -0.284 19003 194 1 . 1 1 45 45 MET HA H 45 4.117 4.117 4.010 0.107 19003 195 1 . 1 1 45 45 MET C C 45 178.274 178.274 178.732 -0.458 19003 196 1 . 1 1 45 45 MET CA C 45 58.421 58.421 59.278 -0.857 19003 197 1 . 1 1 45 45 MET CB C 45 32.268 32.268 32.686 -0.418 19003 198 1 . 1 1 45 45 MET H H 45 7.829 7.829 7.954 -0.125 19003 199 1 . 1 1 46 46 LEU N N 46 123.359 123.359 119.052 4.307 19003 200 1 . 1 1 46 46 LEU HA H 46 3.842 3.842 3.675 0.167 19003 201 1 . 1 1 46 46 LEU C C 46 176.531 176.531 178.853 -2.322 19003 202 1 . 1 1 46 46 LEU CA C 46 57.618 57.618 57.620 -0.002 19003 203 1 . 1 1 46 46 LEU CB C 46 41.793 41.793 40.444 1.349 19003 204 1 . 1 1 46 46 LEU H H 46 7.659 7.659 7.802 -0.143 19003 205 1 . 1 1 47 47 ARG N N 47 118.271 118.271 116.924 1.347 19003 206 1 . 1 1 47 47 ARG HA H 47 2.751 2.751 3.772 -1.021 19003 207 1 . 1 1 47 47 ARG C C 47 178.363 178.363 178.078 0.285 19003 208 1 . 1 1 47 47 ARG CA C 47 58.004 58.004 58.943 -0.940 19003 209 1 . 1 1 47 47 ARG CB C 47 30.107 30.107 29.310 0.797 19003 210 1 . 1 1 47 47 ARG H H 47 7.955 7.955 7.667 0.288 19003 211 1 . 1 1 48 48 HIS N N 48 117.915 117.915 119.823 -1.908 19003 212 1 . 1 1 48 48 HIS HA H 48 4.225 4.225 4.055 0.170 19003 213 1 . 1 1 48 48 HIS C C 48 177.097 177.097 177.594 -0.497 19003 214 1 . 1 1 48 48 HIS CA C 48 59.311 59.311 59.333 -0.022 19003 215 1 . 1 1 48 48 HIS CB C 48 30.578 30.578 29.874 0.704 19003 216 1 . 1 1 48 48 HIS H H 48 7.609 7.609 8.107 -0.499 19003 217 1 . 1 1 49 49 ARG N N 49 116.831 116.831 118.099 -1.268 19003 218 1 . 1 1 49 49 ARG HA H 49 3.978 3.978 3.909 0.069 19003 219 1 . 1 1 49 49 ARG C C 49 179.242 179.242 178.761 0.481 19003 220 1 . 1 1 49 49 ARG CA C 49 59.059 59.059 59.440 -0.381 19003 221 1 . 1 1 49 49 ARG CB C 49 28.690 28.690 29.993 -1.303 19003 222 1 . 1 1 49 49 ARG H H 49 7.980 7.980 8.583 -0.603 19003 223 1 . 1 1 50 50 ALA N N 50 122.916 122.916 122.527 0.389 19003 224 1 . 1 1 50 50 ALA HA H 50 3.980 3.980 4.145 -0.165 19003 225 1 . 1 1 50 50 ALA C C 50 181.207 181.207 179.386 1.821 19003 226 1 . 1 1 50 50 ALA CA C 50 55.041 55.041 54.783 0.258 19003 227 1 . 1 1 50 50 ALA CB C 50 19.192 19.192 18.473 0.719 19003 228 1 . 1 1 50 50 ALA H H 50 8.734 8.734 7.687 1.047 19003 229 1 . 1 1 51 51 ALA N N 51 122.005 122.005 120.467 1.538 19003 230 1 . 1 1 51 51 ALA HA H 51 4.113 4.113 4.109 0.004 19003 231 1 . 1 1 51 51 ALA C C 51 179.033 179.033 179.352 -0.319 19003 232 1 . 1 1 51 51 ALA CA C 51 54.582 54.582 54.463 0.119 19003 233 1 . 1 1 51 51 ALA CB C 51 18.019 18.019 18.983 -0.964 19003 234 1 . 1 1 51 51 ALA H H 51 7.861 7.861 8.042 -0.181 19003 235 1 . 1 1 52 52 LEU N N 52 117.205 117.205 117.186 0.019 19003 236 1 . 1 1 52 52 LEU HA H 52 4.258 4.258 4.306 -0.048 19003 237 1 . 1 1 52 52 LEU C C 52 177.842 177.842 178.325 -0.483 19003 238 1 . 1 1 52 52 LEU CA C 52 54.623 54.623 56.323 -1.700 19003 239 1 . 1 1 52 52 LEU CB C 52 41.609 41.609 42.640 -1.031 19003 240 1 . 1 1 52 52 LEU H H 52 7.277 7.277 8.491 -1.214 19003 241 1 . 1 1 53 53 GLY N N 53 105.824 105.824 102.921 2.903 19003 242 1 . 1 1 53 53 GLY C C 53 174.745 174.745 173.132 1.613 19003 243 1 . 1 1 53 53 GLY CA C 53 45.523 45.523 44.992 0.531 19003 244 1 . 1 1 53 53 GLY H H 53 7.616 7.616 7.770 -0.154 19003 245 1 . 1 1 54 54 ALA N N 54 122.086 122.086 123.231 -1.145 19003 246 1 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.646 -0.419 19003 247 1 . 1 1 54 54 ALA C C 54 178.035 178.035 175.733 2.302 19003 248 1 . 1 1 54 54 ALA CA C 54 53.440 53.440 51.238 2.202 19003 249 1 . 1 1 54 54 ALA CB C 54 19.725 19.725 20.991 -1.266 19003 250 1 . 1 1 54 54 ALA H H 54 7.637 7.637 7.957 -0.320 19003 251 1 . 1 1 55 55 ASP N N 55 118.303 118.303 121.288 -2.985 19003 252 1 . 1 1 55 55 ASP HA H 55 4.746 4.746 4.732 0.014 19003 253 1 . 1 1 55 55 ASP C C 55 176.129 176.129 175.005 1.124 19003 254 1 . 1 1 55 55 ASP CA C 55 52.995 52.995 53.445 -0.450 19003 255 1 . 1 1 55 55 ASP CB C 55 41.342 41.342 42.151 -0.809 19003 256 1 . 1 1 55 55 ASP H H 55 8.540 8.540 8.472 0.068 19003 257 1 . 1 1 56 56 ASP N N 56 116.381 116.381 120.960 -4.579 19003 258 1 . 1 1 56 56 ASP HA H 56 4.613 4.613 4.564 0.049 19003 259 1 . 1 1 56 56 ASP C C 56 175.638 175.638 177.607 -1.969 19003 260 1 . 1 1 56 56 ASP CA C 56 53.529 53.529 54.250 -0.721 19003 261 1 . 1 1 56 56 ASP CB C 56 42.053 42.053 42.098 -0.044 19003 262 1 . 1 1 56 56 ASP H H 56 7.469 7.469 7.985 -0.516 19003 263 1 . 1 1 57 57 ASN N N 57 118.913 118.913 124.853 -5.940 19003 264 1 . 1 1 57 57 ASN HA H 57 4.331 4.331 4.338 -0.007 19003 265 1 . 1 1 57 57 ASN C C 57 176.963 176.963 176.740 0.223 19003 266 1 . 1 1 57 57 ASN CA C 57 57.354 57.354 56.277 1.077 19003 267 1 . 1 1 57 57 ASN CB C 57 39.296 39.296 38.143 1.153 19003 268 1 . 1 1 57 57 ASN H H 57 9.033 9.033 8.871 0.162 19003 269 1 . 1 1 58 58 ASP N N 58 117.610 117.610 121.236 -3.626 19003 270 1 . 1 1 58 58 ASP HA H 58 4.485 4.485 4.436 0.049 19003 271 1 . 1 1 58 58 ASP C C 58 178.944 178.944 178.153 0.791 19003 272 1 . 1 1 58 58 ASP CA C 58 57.621 57.621 57.280 0.341 19003 273 1 . 1 1 58 58 ASP CB C 58 40.007 40.007 40.300 -0.293 19003 274 1 . 1 1 58 58 ASP H H 58 8.519 8.519 8.112 0.407 19003 275 1 . 1 1 59 59 ALA N N 59 126.800 126.800 121.909 4.891 19003 276 1 . 1 1 59 59 ALA HA H 59 3.978 3.978 4.098 -0.120 19003 277 1 . 1 1 59 59 ALA C C 59 178.974 178.974 179.358 -0.384 19003 278 1 . 1 1 59 59 ALA CA C 59 55.752 55.752 55.155 0.597 19003 279 1 . 1 1 59 59 ALA CB C 59 19.103 19.103 18.621 0.482 19003 280 1 . 1 1 59 59 ALA H H 59 8.067 8.067 7.898 0.169 19003 281 1 . 1 1 60 60 VAL N N 60 119.673 119.673 116.508 3.165 19003 282 1 . 1 1 60 60 VAL HA H 60 3.589 3.589 3.775 -0.186 19003 283 1 . 1 1 60 60 VAL C C 60 179.934 179.934 177.549 2.385 19003 284 1 . 1 1 60 60 VAL CA C 60 66.745 66.745 65.874 0.871 19003 285 1 . 1 1 60 60 VAL CB C 60 32.121 32.121 31.377 0.744 19003 286 1 . 1 1 61 61 LYS N N 61 119.673 119.673 121.036 -1.363 19003 287 1 . 1 1 61 61 LYS HA H 61 4.202 4.202 4.158 0.044 19003 288 1 . 1 1 61 61 LYS C C 61 180.135 180.135 179.141 0.993 19003 289 1 . 1 1 61 61 LYS CA C 61 59.437 59.437 59.301 0.136 19003 290 1 . 1 1 61 61 LYS CB C 61 32.357 32.357 32.125 0.232 19003 291 1 . 1 1 61 61 LYS H H 61 8.383 8.383 8.526 -0.143 19003 292 1 . 1 1 62 62 PHE N N 62 122.324 122.324 122.449 -0.125 19003 293 1 . 1 1 62 62 PHE HA H 62 4.334 4.334 4.314 0.020 19003 294 1 . 1 1 62 62 PHE C C 62 177.038 177.038 176.949 0.089 19003 295 1 . 1 1 62 62 PHE CA C 62 62.691 62.691 61.386 1.305 19003 296 1 . 1 1 62 62 PHE CB C 62 39.207 39.207 39.372 -0.165 19003 297 1 . 1 1 62 62 PHE H H 62 8.510 8.510 8.151 0.359 19003 298 1 . 1 1 63 63 ARG N N 63 119.741 119.741 120.162 -0.421 19003 299 1 . 1 1 63 63 ARG HA H 63 4.074 4.074 3.920 0.154 19003 300 1 . 1 1 63 63 ARG C C 63 178.586 178.586 178.521 0.065 19003 301 1 . 1 1 63 63 ARG CA C 63 61.179 61.179 59.463 1.716 19003 302 1 . 1 1 63 63 ARG CB C 63 30.756 30.756 29.659 1.097 19003 303 1 . 1 1 63 63 ARG H H 63 8.724 8.724 8.831 -0.107 19003 304 1 . 1 1 64 64 SER N N 64 113.962 113.962 115.281 -1.319 19003 305 1 . 1 1 64 64 SER HA H 64 4.324 4.324 4.183 0.141 19003 306 1 . 1 1 64 64 SER C C 64 177.297 177.297 176.344 0.953 19003 307 1 . 1 1 64 64 SER CA C 64 61.550 61.550 62.045 -0.495 19003 308 1 . 1 1 64 64 SER CB C 64 62.316 62.316 62.845 -0.529 19003 309 1 . 1 1 64 64 SER H H 64 8.224 8.224 8.594 -0.370 19003 310 1 . 1 1 65 65 TRP N N 65 123.490 123.490 123.178 0.312 19003 311 1 . 1 1 65 65 TRP HA H 65 4.153 4.153 4.469 -0.316 19003 312 1 . 1 1 65 65 TRP C C 65 178.318 178.318 178.271 0.047 19003 313 1 . 1 1 65 65 TRP CA C 65 61.712 61.712 60.086 1.626 19003 314 1 . 1 1 65 65 TRP CB C 65 27.287 27.287 29.618 -2.331 19003 315 1 . 1 1 65 65 TRP H H 65 8.054 8.054 7.846 0.208 19003 316 1 . 1 1 66 66 TRP N N 66 122.351 122.351 120.611 1.740 19003 317 1 . 1 1 66 66 TRP HA H 66 3.088 3.088 3.173 -0.085 19003 318 1 . 1 1 66 66 TRP C C 66 178.959 178.959 176.583 2.376 19003 319 1 . 1 1 66 66 TRP CA C 66 60.253 60.253 58.803 1.450 19003 320 1 . 1 1 66 66 TRP CB C 66 29.510 29.510 29.537 -0.027 19003 321 1 . 1 1 66 66 TRP H H 66 9.333 9.333 8.798 0.535 19003 322 1 . 1 1 67 67 ASN N N 67 115.529 115.529 115.676 -0.147 19003 323 1 . 1 1 67 67 ASN HA H 67 4.376 4.376 4.564 -0.188 19003 324 1 . 1 1 67 67 ASN C C 67 176.591 176.591 175.414 1.177 19003 325 1 . 1 1 67 67 ASN CA C 67 55.308 55.308 55.007 0.301 19003 326 1 . 1 1 67 67 ASN CB C 67 38.495 38.495 38.525 -0.030 19003 327 1 . 1 1 67 67 ASN H H 67 8.586 8.586 8.360 0.226 19003 328 1 . 1 1 68 68 SER N N 68 114.677 114.677 113.575 1.102 19003 329 1 . 1 1 68 68 SER HA H 68 4.332 4.332 4.396 -0.064 19003 330 1 . 1 1 68 68 SER C C 68 174.581 174.581 174.430 0.151 19003 331 1 . 1 1 68 68 SER CA C 68 59.578 59.578 59.775 -0.197 19003 332 1 . 1 1 68 68 SER CB C 68 63.670 63.670 63.794 -0.124 19003 333 1 . 1 1 68 68 SER H H 68 7.600 7.600 7.471 0.129 19003 334 1 . 1 1 69 69 ARG N N 69 121.618 121.618 119.014 2.604 19003 335 1 . 1 1 69 69 ARG HA H 69 3.879 3.879 4.392 -0.513 19003 336 1 . 1 1 69 69 ARG C C 69 176.963 176.963 177.117 -0.154 19003 337 1 . 1 1 69 69 ARG CA C 69 57.087 57.087 57.210 -0.123 19003 338 1 . 1 1 69 69 ARG CB C 69 29.955 29.955 30.714 -0.760 19003 339 1 . 1 1 69 69 ARG H H 69 6.992 6.992 7.155 -0.163 19003 340 1 . 1 1 70 70 THR N N 70 114.140 114.140 114.053 0.087 19003 341 1 . 1 1 70 70 THR HA H 70 4.030 4.030 4.015 0.015 19003 342 1 . 1 1 70 70 THR C C 70 174.506 174.506 174.388 0.118 19003 343 1 . 1 1 70 70 THR CA C 70 62.513 62.513 62.479 0.034 19003 344 1 . 1 1 70 70 THR CB C 70 69.378 69.378 69.300 0.078 19003 345 1 . 1 1 71 71 LYS N N 71 123.490 123.490 116.126 7.364 19003 346 1 . 1 1 71 71 LYS HA H 71 4.187 4.187 3.865 0.322 19003 347 1 . 1 1 71 71 LYS C C 71 176.531 176.531 175.600 0.931 19003 348 1 . 1 1 71 71 LYS CA C 71 56.286 56.286 56.847 -0.561 19003 349 1 . 1 1 71 71 LYS CB C 71 32.624 32.624 30.730 1.894 19003 350 1 . 1 1 71 71 LYS H H 71 8.051 8.051 7.790 0.261 19003 351 1 . 1 1 72 72 MET N N 72 121.388 121.388 112.829 8.559 19003 352 1 . 1 1 72 72 MET HA H 72 4.376 4.376 4.367 0.009 19003 353 1 . 1 1 72 72 MET C C 72 176.115 176.115 175.681 0.434 19003 354 1 . 1 1 72 72 MET CA C 72 55.397 55.397 57.366 -1.969 19003 355 1 . 1 1 72 72 MET CB C 72 32.446 32.446 32.115 0.331 19003 356 1 . 1 1 72 72 MET H H 72 8.305 8.305 7.310 0.995 19003 357 1 . 1 1 73 73 ALA N N 73 124.890 124.890 121.708 3.182 19003 358 1 . 1 1 73 73 ALA HA H 73 4.229 4.229 4.808 -0.579 19003 359 1 . 1 1 73 73 ALA C C 73 177.499 177.499 177.257 0.242 19003 360 1 . 1 1 73 73 ALA CA C 73 52.639 52.639 51.524 1.115 19003 361 1 . 1 1 73 73 ALA CB C 73 19.103 19.103 19.928 -0.825 19003 362 1 . 1 1 73 73 ALA H H 73 8.272 8.272 8.587 -0.315 19003 363 1 . 1 1 74 74 ASN N N 74 117.940 117.940 120.726 -2.786 19003 364 1 . 1 1 74 74 ASN HA H 74 4.630 4.630 4.399 0.231 19003 365 1 . 1 1 74 74 ASN C C 74 174.893 174.893 174.806 0.087 19003 366 1 . 1 1 74 74 ASN CA C 74 53.084 53.084 56.096 -3.012 19003 367 1 . 1 1 74 74 ASN CB C 74 39.118 39.118 37.899 1.219 19003 368 1 . 1 1 74 74 ASN H H 74 8.408 8.408 8.845 -0.437 19003 369 1 . 1 1 75 75 ASP N N 75 120.439 120.439 115.155 5.284 19003 370 1 . 1 1 75 75 ASP HA H 75 4.542 4.542 4.589 -0.047 19003 371 1 . 1 1 75 75 ASP C C 75 175.861 175.861 175.041 0.820 19003 372 1 . 1 1 75 75 ASP CA C 75 54.240 54.240 53.769 0.471 19003 373 1 . 1 1 75 75 ASP CB C 75 41.075 41.075 40.532 0.543 19003 374 1 . 1 1 75 75 ASP H H 75 8.298 8.298 8.133 0.165 19003 stop_ save_