data_18951 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18951 _Entry.PDB_ID 2M3A 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 18951 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.557 -0.091 18951 2 1 1 . 1 1 2 2 PRO CA C 2 37.135 37.135 62.372 -25.237 18951 3 1 1 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.336 0.074 18951 4 1 1 . 1 1 3 3 LEU N N 3 123.217 123.217 120.417 2.800 18951 5 1 1 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.519 -0.183 18951 6 1 1 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.679 -25.274 18951 7 1 1 . 1 1 3 3 LEU CB C 3 42.450 42.450 42.735 -0.285 18951 8 1 1 . 1 1 3 3 LEU H H 3 8.523 8.523 8.243 0.280 18951 9 1 1 . 1 1 4 4 GLY N N 4 110.431 110.431 110.306 0.125 18951 10 1 1 . 1 1 4 4 GLY CA C 4 45.314 45.314 45.475 -0.161 18951 11 1 1 . 1 1 4 4 GLY H H 4 8.399 8.399 8.683 -0.284 18951 12 1 1 . 1 1 5 5 SER N N 5 116.309 116.309 116.138 0.171 18951 13 1 1 . 1 1 5 5 SER HA H 5 4.460 4.460 4.441 0.019 18951 14 1 1 . 1 1 5 5 SER CA C 5 32.148 32.148 58.322 -26.174 18951 15 1 1 . 1 1 5 5 SER CB C 5 38.011 38.011 65.023 -27.012 18951 16 1 1 . 1 1 5 5 SER H H 5 8.169 8.169 7.969 0.200 18951 17 1 1 . 1 1 6 6 VAL N N 6 122.407 122.407 125.166 -2.759 18951 18 1 1 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.203 -0.080 18951 19 1 1 . 1 1 6 6 VAL CA C 6 36.145 36.145 61.945 -25.800 18951 20 1 1 . 1 1 6 6 VAL CB C 6 32.794 32.794 32.214 0.580 18951 21 1 1 . 1 1 6 6 VAL H H 6 8.138 8.138 8.340 -0.202 18951 22 1 1 . 1 1 7 7 ALA N N 7 128.473 128.473 128.233 0.240 18951 23 1 1 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.404 -0.119 18951 24 1 1 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.118 -25.744 18951 25 1 1 . 1 1 7 7 ALA CB C 7 45.395 45.395 19.711 25.684 18951 26 1 1 . 1 1 7 7 ALA H H 7 8.311 8.311 8.083 0.228 18951 27 1 1 . 1 1 8 8 LYS N N 8 121.756 121.756 120.714 1.042 18951 28 1 1 . 1 1 8 8 LYS HA H 8 4.257 4.257 3.963 0.294 18951 29 1 1 . 1 1 8 8 LYS CA C 8 30.073 30.073 56.876 -26.803 18951 30 1 1 . 1 1 8 8 LYS CB C 8 33.210 33.210 32.331 0.878 18951 31 1 1 . 1 1 8 8 LYS H H 8 8.224 8.224 8.242 -0.018 18951 32 1 1 . 1 1 9 9 LYS N N 9 124.006 124.006 120.528 3.478 18951 33 1 1 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.284 0.023 18951 34 1 1 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.977 -25.906 18951 35 1 1 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.174 1.091 18951 36 1 1 . 1 1 9 9 LYS H H 9 8.286 8.286 8.301 -0.015 18951 37 1 1 . 1 1 10 10 ILE N N 10 125.481 125.481 121.932 3.549 18951 38 1 1 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.088 0.020 18951 39 1 1 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.682 -26.829 18951 40 1 1 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.767 -1.373 18951 41 1 1 . 1 1 10 10 ILE H H 10 8.348 8.348 7.320 1.028 18951 42 1 1 . 1 1 11 11 THR N N 11 122.767 122.767 123.517 -0.750 18951 43 1 1 . 1 1 11 11 THR HA H 11 4.479 4.479 4.430 0.049 18951 44 1 1 . 1 1 11 11 THR CA C 11 35.156 35.156 62.107 -26.951 18951 45 1 1 . 1 1 11 11 THR CB C 11 44.249 44.249 68.187 -23.938 18951 46 1 1 . 1 1 11 11 THR H H 11 8.492 8.492 8.281 0.211 18951 47 1 1 . 1 1 12 12 TRP N N 12 127.919 127.919 128.864 -0.945 18951 48 1 1 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.413 0.019 18951 49 1 1 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.889 -27.184 18951 50 1 1 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.127 -0.797 18951 51 1 1 . 1 1 12 12 TRP H H 12 9.037 9.037 8.143 0.894 18951 52 1 1 . 1 1 13 13 ARG N N 13 125.359 125.359 124.963 0.396 18951 53 1 1 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.629 0.005 18951 54 1 1 . 1 1 13 13 ARG CA C 13 28.685 28.685 55.064 -26.379 18951 55 1 1 . 1 1 13 13 ARG CB C 13 32.066 32.066 32.665 -0.599 18951 56 1 1 . 1 1 13 13 ARG H H 13 9.039 9.039 8.351 0.688 18951 57 1 1 . 1 1 14 14 LYS N N 14 126.125 126.125 121.863 4.262 18951 58 1 1 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.949 0.059 18951 59 1 1 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.548 -24.674 18951 60 1 1 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.352 -0.238 18951 61 1 1 . 1 1 14 14 LYS H H 14 9.251 9.251 8.641 0.610 18951 62 1 1 . 1 1 15 15 GLN N N 15 115.429 115.429 119.006 -3.577 18951 63 1 1 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.088 0.166 18951 64 1 1 . 1 1 15 15 GLN CA C 15 33.152 33.152 59.307 -26.155 18951 65 1 1 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.178 0.015 18951 66 1 1 . 1 1 15 15 GLN H H 15 9.132 9.132 8.673 0.459 18951 67 1 1 . 1 1 16 16 ASP N N 16 119.626 119.626 119.620 0.006 18951 68 1 1 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.574 0.016 18951 69 1 1 . 1 1 16 16 ASP CA C 16 31.105 31.105 56.605 -25.500 18951 70 1 1 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.757 2.179 18951 71 1 1 . 1 1 16 16 ASP H H 16 7.315 7.315 7.502 -0.187 18951 72 1 1 . 1 1 17 17 LEU N N 17 121.081 121.081 121.216 -0.135 18951 73 1 1 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.289 -0.134 18951 74 1 1 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.562 -25.710 18951 75 1 1 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.421 -0.221 18951 76 1 1 . 1 1 17 17 LEU H H 17 7.864 7.864 8.101 -0.237 18951 77 1 1 . 1 1 18 18 ASP N N 18 120.789 120.789 119.607 1.182 18951 78 1 1 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.318 0.094 18951 79 1 1 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.695 -26.139 18951 80 1 1 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.831 -0.339 18951 81 1 1 . 1 1 18 18 ASP H H 18 8.684 8.684 8.636 0.048 18951 82 1 1 . 1 1 19 19 ARG N N 19 121.558 121.558 119.231 2.327 18951 83 1 1 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.120 -0.075 18951 84 1 1 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.875 -25.214 18951 85 1 1 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.345 -0.195 18951 86 1 1 . 1 1 19 19 ARG H H 19 7.759 7.759 7.420 0.339 18951 87 1 1 . 1 1 20 20 LEU N N 20 120.844 120.844 120.661 0.183 18951 88 1 1 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.049 -0.041 18951 89 1 1 . 1 1 20 20 LEU CA C 20 32.109 32.109 58.032 -25.923 18951 90 1 1 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.881 -0.681 18951 91 1 1 . 1 1 20 20 LEU H H 20 8.459 8.459 7.654 0.805 18951 92 1 1 . 1 1 21 21 LYS N N 21 119.771 119.771 118.217 1.554 18951 93 1 1 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.871 -0.021 18951 94 1 1 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.598 -25.263 18951 95 1 1 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.188 0.798 18951 96 1 1 . 1 1 21 21 LYS H H 21 8.531 8.531 8.306 0.225 18951 97 1 1 . 1 1 22 22 ARG N N 22 119.843 119.843 117.992 1.851 18951 98 1 1 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.109 0.021 18951 99 1 1 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.746 -25.357 18951 100 1 1 . 1 1 22 22 ARG CB C 22 30.103 30.103 30.350 -0.247 18951 101 1 1 . 1 1 22 22 ARG H H 22 7.653 7.653 7.786 -0.133 18951 102 1 1 . 1 1 23 23 VAL N N 23 120.992 120.992 120.170 0.822 18951 103 1 1 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.710 -0.080 18951 104 1 1 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.743 -24.852 18951 105 1 1 . 1 1 23 23 VAL CB C 23 31.663 31.663 32.052 -0.389 18951 106 1 1 . 1 1 23 23 VAL H H 23 8.443 8.443 7.636 0.807 18951 107 1 1 . 1 1 24 24 ILE N N 24 121.095 121.095 119.996 1.099 18951 108 1 1 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.420 -0.264 18951 109 1 1 . 1 1 24 24 ILE CA C 24 40.235 40.235 64.986 -24.751 18951 110 1 1 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.183 1.230 18951 111 1 1 . 1 1 24 24 ILE H H 24 8.618 8.618 8.028 0.590 18951 112 1 1 . 1 1 25 25 ALA N N 25 122.768 122.768 121.056 1.712 18951 113 1 1 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.150 0.022 18951 114 1 1 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.438 -25.783 18951 115 1 1 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.719 25.556 18951 116 1 1 . 1 1 25 25 ALA H H 25 7.795 7.795 7.463 0.332 18951 117 1 1 . 1 1 26 26 LEU N N 26 117.435 117.435 118.356 -0.921 18951 118 1 1 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.218 -0.008 18951 119 1 1 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.073 -26.068 18951 120 1 1 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.223 1.122 18951 121 1 1 . 1 1 26 26 LEU H H 26 7.489 7.489 7.149 0.340 18951 122 1 1 . 1 1 27 27 LYS N N 27 116.796 116.796 117.199 -0.403 18951 123 1 1 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.094 -0.015 18951 124 1 1 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.641 -27.445 18951 125 1 1 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.644 -0.595 18951 126 1 1 . 1 1 27 27 LYS H H 27 8.358 8.358 8.193 0.165 18951 127 1 1 . 1 1 28 28 LYS N N 28 116.168 116.168 118.109 -1.941 18951 128 1 1 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.151 -0.043 18951 129 1 1 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.059 -25.584 18951 130 1 1 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.874 -0.379 18951 131 1 1 . 1 1 28 28 LYS H H 28 8.544 8.544 7.457 1.087 18951 132 1 1 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.563 -0.417 18951 133 1 1 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.039 -24.915 18951 134 1 1 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.152 -0.052 18951 135 1 1 . 1 1 30 30 SER N N 30 116.657 116.657 114.773 1.884 18951 136 1 1 . 1 1 30 30 SER HA H 30 4.971 4.971 4.624 0.347 18951 137 1 1 . 1 1 30 30 SER CA C 30 32.065 32.065 58.145 -26.080 18951 138 1 1 . 1 1 30 30 SER CB C 30 39.086 39.086 63.212 -24.127 18951 139 1 1 . 1 1 30 30 SER H H 30 9.003 9.003 8.230 0.773 18951 140 1 1 . 1 1 31 31 ALA N N 31 118.256 118.256 124.197 -5.941 18951 141 1 1 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.587 0.186 18951 142 1 1 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.172 -25.186 18951 143 1 1 . 1 1 31 31 ALA CB C 31 45.505 45.505 17.955 27.550 18951 144 1 1 . 1 1 31 31 ALA H H 31 9.031 9.031 8.620 0.411 18951 145 1 1 . 1 1 32 32 SER N N 32 117.751 117.751 115.204 2.547 18951 146 1 1 . 1 1 32 32 SER HA H 32 4.315 4.315 4.678 -0.363 18951 147 1 1 . 1 1 32 32 SER CA C 32 32.525 32.525 57.341 -24.816 18951 148 1 1 . 1 1 32 32 SER CB C 32 38.556 38.556 64.337 -25.781 18951 149 1 1 . 1 1 32 32 SER H H 32 8.737 8.737 8.294 0.443 18951 150 1 1 . 1 1 33 33 ASP N N 33 124.239 124.239 126.535 -2.296 18951 151 1 1 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.503 -0.093 18951 152 1 1 . 1 1 33 33 ASP CA C 33 31.926 31.926 58.225 -26.299 18951 153 1 1 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.757 -1.177 18951 154 1 1 . 1 1 33 33 ASP H H 33 9.156 9.156 9.102 0.054 18951 155 1 1 . 1 1 34 34 ALA N N 34 124.661 124.661 121.115 3.546 18951 156 1 1 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.096 0.056 18951 157 1 1 . 1 1 34 34 ALA CA C 34 29.705 29.705 55.057 -25.352 18951 158 1 1 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.153 26.067 18951 159 1 1 . 1 1 34 34 ALA H H 34 8.716 8.716 8.420 0.296 18951 160 1 1 . 1 1 35 35 ASP N N 35 121.111 121.111 118.014 3.097 18951 161 1 1 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.488 -0.126 18951 162 1 1 . 1 1 35 35 ASP CA C 35 31.085 31.085 56.815 -25.730 18951 163 1 1 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.738 -1.361 18951 164 1 1 . 1 1 35 35 ASP H H 35 7.897 7.897 8.155 -0.258 18951 165 1 1 . 1 1 36 36 TRP N N 36 121.306 121.306 121.600 -0.294 18951 166 1 1 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.352 -0.472 18951 167 1 1 . 1 1 36 36 TRP CA C 36 35.255 35.255 60.690 -25.435 18951 168 1 1 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.405 -0.890 18951 169 1 1 . 1 1 36 36 TRP H H 36 8.061 8.061 8.804 -0.743 18951 170 1 1 . 1 1 37 37 THR N N 37 122.204 122.204 114.740 7.464 18951 171 1 1 . 1 1 37 37 THR HA H 37 3.975 3.975 3.978 -0.003 18951 172 1 1 . 1 1 37 37 THR CA C 37 41.605 41.605 66.601 -24.996 18951 173 1 1 . 1 1 37 37 THR CB C 37 42.055 42.055 68.197 -26.142 18951 174 1 1 . 1 1 37 37 THR H H 37 8.658 8.658 8.109 0.549 18951 175 1 1 . 1 1 38 38 GLU N N 38 122.790 122.790 120.336 2.454 18951 176 1 1 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.219 0.021 18951 177 1 1 . 1 1 38 38 GLU CA C 38 33.094 33.094 59.182 -26.088 18951 178 1 1 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.614 -0.839 18951 179 1 1 . 1 1 38 38 GLU H H 38 7.229 7.229 7.595 -0.366 18951 180 1 1 . 1 1 39 39 VAL N N 39 118.792 118.792 120.958 -2.166 18951 181 1 1 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.709 -0.422 18951 182 1 1 . 1 1 39 39 VAL CA C 39 40.331 40.331 65.564 -25.233 18951 183 1 1 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.299 -0.386 18951 184 1 1 . 1 1 39 39 VAL H H 39 7.392 7.392 7.561 -0.169 18951 185 1 1 . 1 1 40 40 LEU N N 40 119.835 119.835 119.293 0.542 18951 186 1 1 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.282 -0.234 18951 187 1 1 . 1 1 40 40 LEU CA C 40 32.754 32.754 56.983 -24.229 18951 188 1 1 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.994 0.156 18951 189 1 1 . 1 1 40 40 LEU H H 40 8.305 8.305 8.643 -0.338 18951 190 1 1 . 1 1 41 41 ARG N N 41 123.317 123.317 118.654 4.663 18951 191 1 1 . 1 1 41 41 ARG HA H 41 4.059 4.059 4.093 -0.034 18951 192 1 1 . 1 1 41 41 ARG CA C 41 33.613 33.613 58.944 -25.331 18951 193 1 1 . 1 1 41 41 ARG CB C 41 30.288 30.288 30.120 0.168 18951 194 1 1 . 1 1 41 41 ARG H H 41 8.132 8.132 7.756 0.376 18951 195 1 1 . 1 1 42 42 LEU N N 42 119.831 119.831 118.478 1.353 18951 196 1 1 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.273 -0.150 18951 197 1 1 . 1 1 42 42 LEU CA C 42 30.690 30.690 56.944 -26.254 18951 198 1 1 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.441 0.339 18951 199 1 1 . 1 1 42 42 LEU H H 42 7.627 7.627 7.457 0.170 18951 200 1 1 . 1 1 43 43 LEU N N 43 121.439 121.439 119.489 1.950 18951 201 1 1 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.093 -0.223 18951 202 1 1 . 1 1 43 43 LEU CA C 43 31.635 31.635 56.368 -24.733 18951 203 1 1 . 1 1 43 43 LEU CB C 43 43.324 43.324 41.729 1.595 18951 204 1 1 . 1 1 43 43 LEU H H 43 8.476 8.476 7.650 0.826 18951 205 1 1 . 1 1 44 44 ALA N N 44 118.277 118.277 123.011 -4.734 18951 206 1 1 . 1 1 44 44 ALA HA H 44 3.921 3.921 3.931 -0.010 18951 207 1 1 . 1 1 44 44 ALA CA C 44 26.718 26.718 55.010 -28.292 18951 208 1 1 . 1 1 44 44 ALA CB C 44 42.811 42.811 17.982 24.829 18951 209 1 1 . 1 1 44 44 ALA H H 44 7.871 7.871 8.391 -0.520 18951 210 1 1 . 1 1 45 45 LYS N N 45 122.047 122.047 118.582 3.465 18951 211 1 1 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.034 0.352 18951 212 1 1 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.651 -29.816 18951 213 1 1 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.462 1.630 18951 214 1 1 . 1 1 45 45 LYS H H 45 8.864 8.864 7.545 1.319 18951 215 1 1 . 1 1 46 46 GLU N N 46 110.362 110.362 116.412 -6.050 18951 216 1 1 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.418 -0.518 18951 217 1 1 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.139 -22.894 18951 218 1 1 . 1 1 46 46 GLU CB C 46 29.406 29.406 28.831 0.575 18951 219 1 1 . 1 1 46 46 GLU H H 46 8.780 8.780 7.885 0.895 18951 220 1 1 . 1 1 47 47 GLY N N 47 112.932 112.932 108.723 4.209 18951 221 1 1 . 1 1 47 47 GLY CA C 47 45.100 45.100 45.918 -0.818 18951 222 1 1 . 1 1 47 47 GLY H H 47 8.877 8.877 7.961 0.916 18951 223 1 2 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.514 -0.048 18951 224 1 2 . 1 1 2 2 PRO CA C 2 37.135 37.135 62.317 -25.182 18951 225 1 2 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.411 -0.001 18951 226 1 2 . 1 1 3 3 LEU N N 3 123.217 123.217 118.142 5.075 18951 227 1 2 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.128 0.208 18951 228 1 2 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.431 -25.026 18951 229 1 2 . 1 1 3 3 LEU CB C 3 42.450 42.450 41.289 1.161 18951 230 1 2 . 1 1 3 3 LEU H H 3 8.523 8.523 8.106 0.417 18951 231 1 2 . 1 1 4 4 GLY N N 4 110.431 110.431 109.566 0.865 18951 232 1 2 . 1 1 4 4 GLY CA C 4 45.314 45.314 44.634 0.680 18951 233 1 2 . 1 1 4 4 GLY H H 4 8.399 8.399 8.272 0.127 18951 234 1 2 . 1 1 5 5 SER N N 5 116.309 116.309 116.463 -0.154 18951 235 1 2 . 1 1 5 5 SER HA H 5 4.460 4.460 4.486 -0.026 18951 236 1 2 . 1 1 5 5 SER CA C 5 32.148 32.148 58.228 -26.080 18951 237 1 2 . 1 1 5 5 SER CB C 5 38.011 38.011 63.833 -25.822 18951 238 1 2 . 1 1 5 5 SER H H 5 8.169 8.169 8.570 -0.401 18951 239 1 2 . 1 1 6 6 VAL N N 6 122.407 122.407 121.190 1.217 18951 240 1 2 . 1 1 6 6 VAL HA H 6 4.123 4.123 3.812 0.311 18951 241 1 2 . 1 1 6 6 VAL CA C 6 36.145 36.145 63.094 -26.949 18951 242 1 2 . 1 1 6 6 VAL CB C 6 32.794 32.794 31.082 1.712 18951 243 1 2 . 1 1 6 6 VAL H H 6 8.138 8.138 7.890 0.248 18951 244 1 2 . 1 1 7 7 ALA N N 7 128.473 128.473 127.826 0.647 18951 245 1 2 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.463 -0.178 18951 246 1 2 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.025 -25.649 18951 247 1 2 . 1 1 7 7 ALA CB C 7 45.395 45.395 19.488 25.907 18951 248 1 2 . 1 1 7 7 ALA H H 7 8.311 8.311 8.246 0.065 18951 249 1 2 . 1 1 8 8 LYS N N 8 121.756 121.756 118.381 3.375 18951 250 1 2 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.512 -0.255 18951 251 1 2 . 1 1 8 8 LYS CA C 8 30.073 30.073 55.730 -25.657 18951 252 1 2 . 1 1 8 8 LYS CB C 8 33.210 33.210 33.691 -0.482 18951 253 1 2 . 1 1 8 8 LYS H H 8 8.224 8.224 7.657 0.567 18951 254 1 2 . 1 1 9 9 LYS N N 9 124.006 124.006 120.637 3.369 18951 255 1 2 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.546 -0.239 18951 256 1 2 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.608 -25.537 18951 257 1 2 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.774 0.491 18951 258 1 2 . 1 1 9 9 LYS H H 9 8.286 8.286 8.428 -0.142 18951 259 1 2 . 1 1 10 10 ILE N N 10 125.481 125.481 120.863 4.618 18951 260 1 2 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.111 -0.003 18951 261 1 2 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.551 -26.698 18951 262 1 2 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.588 -1.194 18951 263 1 2 . 1 1 10 10 ILE H H 10 8.348 8.348 7.654 0.694 18951 264 1 2 . 1 1 11 11 THR N N 11 122.767 122.767 123.346 -0.579 18951 265 1 2 . 1 1 11 11 THR HA H 11 4.479 4.479 4.347 0.132 18951 266 1 2 . 1 1 11 11 THR CA C 11 35.156 35.156 62.167 -27.011 18951 267 1 2 . 1 1 11 11 THR CB C 11 44.249 44.249 68.975 -24.726 18951 268 1 2 . 1 1 11 11 THR H H 11 8.492 8.492 8.350 0.142 18951 269 1 2 . 1 1 12 12 TRP N N 12 127.919 127.919 128.302 -0.383 18951 270 1 2 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.656 -0.224 18951 271 1 2 . 1 1 12 12 TRP CA C 12 30.705 30.705 56.697 -25.992 18951 272 1 2 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.748 -1.419 18951 273 1 2 . 1 1 12 12 TRP H H 12 9.037 9.037 8.701 0.336 18951 274 1 2 . 1 1 13 13 ARG N N 13 125.359 125.359 124.893 0.466 18951 275 1 2 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.635 -0.001 18951 276 1 2 . 1 1 13 13 ARG CA C 13 28.685 28.685 55.160 -26.475 18951 277 1 2 . 1 1 13 13 ARG CB C 13 32.066 32.066 32.174 -0.108 18951 278 1 2 . 1 1 13 13 ARG H H 13 9.039 9.039 8.470 0.569 18951 279 1 2 . 1 1 14 14 LYS N N 14 126.125 126.125 121.737 4.388 18951 280 1 2 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.956 0.052 18951 281 1 2 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.297 -24.422 18951 282 1 2 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.415 -0.301 18951 283 1 2 . 1 1 14 14 LYS H H 14 9.251 9.251 8.641 0.610 18951 284 1 2 . 1 1 15 15 GLN N N 15 115.429 115.429 119.942 -4.513 18951 285 1 2 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.136 0.118 18951 286 1 2 . 1 1 15 15 GLN CA C 15 33.152 33.152 59.220 -26.068 18951 287 1 2 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.105 0.088 18951 288 1 2 . 1 1 15 15 GLN H H 15 9.132 9.132 8.496 0.636 18951 289 1 2 . 1 1 16 16 ASP N N 16 119.626 119.626 119.459 0.167 18951 290 1 2 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.409 0.181 18951 291 1 2 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.559 -26.454 18951 292 1 2 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.091 2.845 18951 293 1 2 . 1 1 16 16 ASP H H 16 7.315 7.315 8.564 -1.249 18951 294 1 2 . 1 1 17 17 LEU N N 17 121.081 121.081 119.239 1.842 18951 295 1 2 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.282 -0.127 18951 296 1 2 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.459 -25.607 18951 297 1 2 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.357 -0.157 18951 298 1 2 . 1 1 17 17 LEU H H 17 7.864 7.864 7.822 0.042 18951 299 1 2 . 1 1 18 18 ASP N N 18 120.789 120.789 118.758 2.031 18951 300 1 2 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.358 0.054 18951 301 1 2 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.736 -26.180 18951 302 1 2 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.953 -0.460 18951 303 1 2 . 1 1 18 18 ASP H H 18 8.684 8.684 8.153 0.531 18951 304 1 2 . 1 1 19 19 ARG N N 19 121.558 121.558 119.182 2.376 18951 305 1 2 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.209 -0.164 18951 306 1 2 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.590 -24.929 18951 307 1 2 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.361 -0.211 18951 308 1 2 . 1 1 19 19 ARG H H 19 7.759 7.759 7.491 0.268 18951 309 1 2 . 1 1 20 20 LEU N N 20 120.844 120.844 120.978 -0.134 18951 310 1 2 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.161 -0.153 18951 311 1 2 . 1 1 20 20 LEU CA C 20 32.109 32.109 57.980 -25.872 18951 312 1 2 . 1 1 20 20 LEU CB C 20 41.200 41.200 42.119 -0.919 18951 313 1 2 . 1 1 20 20 LEU H H 20 8.459 8.459 7.534 0.925 18951 314 1 2 . 1 1 21 21 LYS N N 21 119.771 119.771 118.087 1.684 18951 315 1 2 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.882 -0.032 18951 316 1 2 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.382 -25.047 18951 317 1 2 . 1 1 21 21 LYS CB C 21 32.986 32.986 31.726 1.260 18951 318 1 2 . 1 1 21 21 LYS H H 21 8.531 8.531 8.696 -0.165 18951 319 1 2 . 1 1 22 22 ARG N N 22 119.843 119.843 118.386 1.457 18951 320 1 2 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.172 -0.042 18951 321 1 2 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.571 -25.181 18951 322 1 2 . 1 1 22 22 ARG CB C 22 30.103 30.103 29.912 0.191 18951 323 1 2 . 1 1 22 22 ARG H H 22 7.653 7.653 7.672 -0.019 18951 324 1 2 . 1 1 23 23 VAL N N 23 120.992 120.992 120.442 0.550 18951 325 1 2 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.822 -0.192 18951 326 1 2 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.379 -24.488 18951 327 1 2 . 1 1 23 23 VAL CB C 23 31.663 31.663 31.627 0.036 18951 328 1 2 . 1 1 23 23 VAL H H 23 8.443 8.443 7.844 0.599 18951 329 1 2 . 1 1 24 24 ILE N N 24 121.095 121.095 120.258 0.837 18951 330 1 2 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.421 -0.265 18951 331 1 2 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.336 -25.101 18951 332 1 2 . 1 1 24 24 ILE CB C 24 38.413 38.413 36.961 1.452 18951 333 1 2 . 1 1 24 24 ILE H H 24 8.618 8.618 8.127 0.491 18951 334 1 2 . 1 1 25 25 ALA N N 25 122.768 122.768 121.252 1.516 18951 335 1 2 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.166 0.006 18951 336 1 2 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.532 -25.877 18951 337 1 2 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.731 25.544 18951 338 1 2 . 1 1 25 25 ALA H H 25 7.795 7.795 7.436 0.359 18951 339 1 2 . 1 1 26 26 LEU N N 26 117.435 117.435 118.909 -1.474 18951 340 1 2 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.299 -0.089 18951 341 1 2 . 1 1 26 26 LEU CA C 26 31.005 31.005 56.679 -25.674 18951 342 1 2 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.022 1.323 18951 343 1 2 . 1 1 26 26 LEU H H 26 7.489 7.489 7.265 0.224 18951 344 1 2 . 1 1 27 27 LYS N N 27 116.796 116.796 118.440 -1.644 18951 345 1 2 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.224 -0.145 18951 346 1 2 . 1 1 27 27 LYS CA C 27 29.196 29.196 55.912 -26.716 18951 347 1 2 . 1 1 27 27 LYS CB C 27 32.049 32.049 33.760 -1.711 18951 348 1 2 . 1 1 27 27 LYS H H 27 8.358 8.358 8.252 0.106 18951 349 1 2 . 1 1 28 28 LYS N N 28 116.168 116.168 119.135 -2.967 18951 350 1 2 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.113 -0.005 18951 351 1 2 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.032 -25.557 18951 352 1 2 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.342 0.153 18951 353 1 2 . 1 1 28 28 LYS H H 28 8.544 8.544 7.562 0.982 18951 354 1 2 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.338 -0.193 18951 355 1 2 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.501 -25.376 18951 356 1 2 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.016 0.084 18951 357 1 2 . 1 1 30 30 SER N N 30 116.657 116.657 115.097 1.560 18951 358 1 2 . 1 1 30 30 SER HA H 30 4.971 4.971 4.556 0.415 18951 359 1 2 . 1 1 30 30 SER CA C 30 32.065 32.065 57.337 -25.273 18951 360 1 2 . 1 1 30 30 SER CB C 30 39.086 39.086 63.284 -24.198 18951 361 1 2 . 1 1 30 30 SER H H 30 9.003 9.003 8.173 0.830 18951 362 1 2 . 1 1 31 31 ALA N N 31 118.256 118.256 123.111 -4.855 18951 363 1 2 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.648 0.125 18951 364 1 2 . 1 1 31 31 ALA CA C 31 27.985 27.985 52.982 -24.997 18951 365 1 2 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.554 26.951 18951 366 1 2 . 1 1 31 31 ALA H H 31 9.031 9.031 8.096 0.935 18951 367 1 2 . 1 1 32 32 SER N N 32 117.751 117.751 115.305 2.446 18951 368 1 2 . 1 1 32 32 SER HA H 32 4.315 4.315 4.733 -0.418 18951 369 1 2 . 1 1 32 32 SER CA C 32 32.525 32.525 57.457 -24.932 18951 370 1 2 . 1 1 32 32 SER CB C 32 38.556 38.556 64.304 -25.748 18951 371 1 2 . 1 1 32 32 SER H H 32 8.737 8.737 8.231 0.506 18951 372 1 2 . 1 1 33 33 ASP N N 33 124.239 124.239 127.145 -2.906 18951 373 1 2 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.448 -0.038 18951 374 1 2 . 1 1 33 33 ASP CA C 33 31.926 31.926 57.950 -26.024 18951 375 1 2 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.818 -1.238 18951 376 1 2 . 1 1 33 33 ASP H H 33 9.156 9.156 9.066 0.090 18951 377 1 2 . 1 1 34 34 ALA N N 34 124.661 124.661 121.333 3.328 18951 378 1 2 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.217 -0.065 18951 379 1 2 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.856 -25.151 18951 380 1 2 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.484 25.736 18951 381 1 2 . 1 1 34 34 ALA H H 34 8.716 8.716 7.842 0.874 18951 382 1 2 . 1 1 35 35 ASP N N 35 121.111 121.111 119.508 1.603 18951 383 1 2 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.407 -0.045 18951 384 1 2 . 1 1 35 35 ASP CA C 35 31.085 31.085 56.933 -25.848 18951 385 1 2 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.493 -1.117 18951 386 1 2 . 1 1 35 35 ASP H H 35 7.897 7.897 8.332 -0.435 18951 387 1 2 . 1 1 36 36 TRP N N 36 121.306 121.306 120.538 0.768 18951 388 1 2 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.454 -0.574 18951 389 1 2 . 1 1 36 36 TRP CA C 36 35.255 35.255 61.414 -26.159 18951 390 1 2 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.520 -1.005 18951 391 1 2 . 1 1 36 36 TRP H H 36 8.061 8.061 8.822 -0.761 18951 392 1 2 . 1 1 37 37 THR N N 37 122.204 122.204 114.936 7.268 18951 393 1 2 . 1 1 37 37 THR HA H 37 3.975 3.975 3.880 0.095 18951 394 1 2 . 1 1 37 37 THR CA C 37 41.605 41.605 67.086 -25.481 18951 395 1 2 . 1 1 37 37 THR CB C 37 42.055 42.055 68.296 -26.241 18951 396 1 2 . 1 1 37 37 THR H H 37 8.658 8.658 7.571 1.087 18951 397 1 2 . 1 1 38 38 GLU N N 38 122.790 122.790 121.192 1.598 18951 398 1 2 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.047 0.193 18951 399 1 2 . 1 1 38 38 GLU CA C 38 33.094 33.094 59.227 -26.133 18951 400 1 2 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.503 -0.728 18951 401 1 2 . 1 1 38 38 GLU H H 38 7.229 7.229 7.663 -0.434 18951 402 1 2 . 1 1 39 39 VAL N N 39 118.792 118.792 119.660 -0.868 18951 403 1 2 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.730 -0.443 18951 404 1 2 . 1 1 39 39 VAL CA C 39 40.331 40.331 66.431 -26.100 18951 405 1 2 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.976 -1.063 18951 406 1 2 . 1 1 39 39 VAL H H 39 7.392 7.392 7.436 -0.044 18951 407 1 2 . 1 1 40 40 LEU N N 40 119.835 119.835 119.761 0.074 18951 408 1 2 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.251 -0.203 18951 409 1 2 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.252 -24.498 18951 410 1 2 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.953 0.197 18951 411 1 2 . 1 1 40 40 LEU H H 40 8.305 8.305 8.745 -0.440 18951 412 1 2 . 1 1 41 41 ARG N N 41 123.317 123.317 117.866 5.451 18951 413 1 2 . 1 1 41 41 ARG HA H 41 4.059 4.059 4.084 -0.025 18951 414 1 2 . 1 1 41 41 ARG CA C 41 33.613 33.613 59.017 -25.404 18951 415 1 2 . 1 1 41 41 ARG CB C 41 30.288 30.288 30.044 0.243 18951 416 1 2 . 1 1 41 41 ARG H H 41 8.132 8.132 7.766 0.366 18951 417 1 2 . 1 1 42 42 LEU N N 42 119.831 119.831 118.789 1.042 18951 418 1 2 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.310 -0.187 18951 419 1 2 . 1 1 42 42 LEU CA C 42 30.690 30.690 57.290 -26.600 18951 420 1 2 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.716 0.064 18951 421 1 2 . 1 1 42 42 LEU H H 42 7.627 7.627 7.468 0.159 18951 422 1 2 . 1 1 43 43 LEU N N 43 121.439 121.439 119.969 1.470 18951 423 1 2 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.074 -0.204 18951 424 1 2 . 1 1 43 43 LEU CA C 43 31.635 31.635 56.662 -25.027 18951 425 1 2 . 1 1 43 43 LEU CB C 43 43.324 43.324 41.674 1.650 18951 426 1 2 . 1 1 43 43 LEU H H 43 8.476 8.476 7.597 0.879 18951 427 1 2 . 1 1 44 44 ALA N N 44 118.277 118.277 123.031 -4.754 18951 428 1 2 . 1 1 44 44 ALA HA H 44 3.921 3.921 3.942 -0.021 18951 429 1 2 . 1 1 44 44 ALA CA C 44 26.718 26.718 55.053 -28.335 18951 430 1 2 . 1 1 44 44 ALA CB C 44 42.811 42.811 17.996 24.815 18951 431 1 2 . 1 1 44 44 ALA H H 44 7.871 7.871 8.398 -0.527 18951 432 1 2 . 1 1 45 45 LYS N N 45 122.047 122.047 118.844 3.203 18951 433 1 2 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.038 0.348 18951 434 1 2 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.710 -29.875 18951 435 1 2 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.548 1.544 18951 436 1 2 . 1 1 45 45 LYS H H 45 8.864 8.864 7.567 1.297 18951 437 1 2 . 1 1 46 46 GLU N N 46 110.362 110.362 117.257 -6.895 18951 438 1 2 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.393 -0.493 18951 439 1 2 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.596 -23.351 18951 440 1 2 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.701 -0.295 18951 441 1 2 . 1 1 46 46 GLU H H 46 8.780 8.780 7.884 0.896 18951 442 1 2 . 1 1 47 47 GLY N N 47 112.932 112.932 109.038 3.894 18951 443 1 2 . 1 1 47 47 GLY CA C 47 45.100 45.100 45.816 -0.716 18951 444 1 2 . 1 1 47 47 GLY H H 47 8.877 8.877 7.896 0.981 18951 445 1 3 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.509 -0.043 18951 446 1 3 . 1 1 2 2 PRO CA C 2 37.135 37.135 62.859 -25.724 18951 447 1 3 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.264 0.146 18951 448 1 3 . 1 1 3 3 LEU N N 3 123.217 123.217 118.574 4.643 18951 449 1 3 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.608 -0.272 18951 450 1 3 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.783 -25.378 18951 451 1 3 . 1 1 3 3 LEU CB C 3 42.450 42.450 43.006 -0.556 18951 452 1 3 . 1 1 3 3 LEU H H 3 8.523 8.523 8.394 0.129 18951 453 1 3 . 1 1 4 4 GLY N N 4 110.431 110.431 112.322 -1.891 18951 454 1 3 . 1 1 4 4 GLY CA C 4 45.314 45.314 44.726 0.588 18951 455 1 3 . 1 1 4 4 GLY H H 4 8.399 8.399 8.363 0.036 18951 456 1 3 . 1 1 5 5 SER N N 5 116.309 116.309 116.510 -0.201 18951 457 1 3 . 1 1 5 5 SER HA H 5 4.460 4.460 4.126 0.334 18951 458 1 3 . 1 1 5 5 SER CA C 5 32.148 32.148 58.023 -25.875 18951 459 1 3 . 1 1 5 5 SER CB C 5 38.011 38.011 63.024 -25.013 18951 460 1 3 . 1 1 5 5 SER H H 5 8.169 8.169 8.333 -0.164 18951 461 1 3 . 1 1 6 6 VAL N N 6 122.407 122.407 120.235 2.172 18951 462 1 3 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.128 -0.005 18951 463 1 3 . 1 1 6 6 VAL CA C 6 36.145 36.145 62.236 -26.091 18951 464 1 3 . 1 1 6 6 VAL CB C 6 32.794 32.794 32.684 0.110 18951 465 1 3 . 1 1 6 6 VAL H H 6 8.138 8.138 7.690 0.448 18951 466 1 3 . 1 1 7 7 ALA N N 7 128.473 128.473 129.727 -1.254 18951 467 1 3 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.331 -0.046 18951 468 1 3 . 1 1 7 7 ALA CA C 7 26.375 26.375 51.703 -25.328 18951 469 1 3 . 1 1 7 7 ALA CB C 7 45.395 45.395 17.496 27.899 18951 470 1 3 . 1 1 7 7 ALA H H 7 8.311 8.311 8.357 -0.046 18951 471 1 3 . 1 1 8 8 LYS N N 8 121.756 121.756 121.775 -0.019 18951 472 1 3 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.154 0.103 18951 473 1 3 . 1 1 8 8 LYS CA C 8 30.073 30.073 56.992 -26.919 18951 474 1 3 . 1 1 8 8 LYS CB C 8 33.210 33.210 33.110 0.100 18951 475 1 3 . 1 1 8 8 LYS H H 8 8.224 8.224 7.869 0.355 18951 476 1 3 . 1 1 9 9 LYS N N 9 124.006 124.006 119.815 4.191 18951 477 1 3 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.301 0.006 18951 478 1 3 . 1 1 9 9 LYS CA C 9 30.071 30.071 56.235 -26.164 18951 479 1 3 . 1 1 9 9 LYS CB C 9 33.265 33.265 31.841 1.424 18951 480 1 3 . 1 1 9 9 LYS H H 9 8.286 8.286 8.575 -0.289 18951 481 1 3 . 1 1 10 10 ILE N N 10 125.481 125.481 121.522 3.959 18951 482 1 3 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.176 -0.068 18951 483 1 3 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.594 -26.741 18951 484 1 3 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.950 -1.556 18951 485 1 3 . 1 1 10 10 ILE H H 10 8.348 8.348 7.561 0.787 18951 486 1 3 . 1 1 11 11 THR N N 11 122.767 122.767 124.462 -1.695 18951 487 1 3 . 1 1 11 11 THR HA H 11 4.479 4.479 4.432 0.047 18951 488 1 3 . 1 1 11 11 THR CA C 11 35.156 35.156 61.984 -26.828 18951 489 1 3 . 1 1 11 11 THR CB C 11 44.249 44.249 68.687 -24.438 18951 490 1 3 . 1 1 11 11 THR H H 11 8.492 8.492 8.380 0.112 18951 491 1 3 . 1 1 12 12 TRP N N 12 127.919 127.919 128.628 -0.709 18951 492 1 3 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.484 -0.052 18951 493 1 3 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.600 -26.895 18951 494 1 3 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.174 -0.844 18951 495 1 3 . 1 1 12 12 TRP H H 12 9.037 9.037 8.426 0.611 18951 496 1 3 . 1 1 13 13 ARG N N 13 125.359 125.359 123.726 1.633 18951 497 1 3 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.557 0.077 18951 498 1 3 . 1 1 13 13 ARG CA C 13 28.685 28.685 54.629 -25.944 18951 499 1 3 . 1 1 13 13 ARG CB C 13 32.066 32.066 31.664 0.402 18951 500 1 3 . 1 1 13 13 ARG H H 13 9.039 9.039 8.191 0.848 18951 501 1 3 . 1 1 14 14 LYS N N 14 126.125 126.125 122.353 3.772 18951 502 1 3 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.990 0.018 18951 503 1 3 . 1 1 14 14 LYS CA C 14 34.875 34.875 60.346 -25.471 18951 504 1 3 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.218 -0.104 18951 505 1 3 . 1 1 14 14 LYS H H 14 9.251 9.251 8.860 0.391 18951 506 1 3 . 1 1 15 15 GLN N N 15 115.429 115.429 116.403 -0.974 18951 507 1 3 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.101 0.153 18951 508 1 3 . 1 1 15 15 GLN CA C 15 33.152 33.152 58.727 -25.575 18951 509 1 3 . 1 1 15 15 GLN CB C 15 28.193 28.193 27.924 0.269 18951 510 1 3 . 1 1 15 15 GLN H H 15 9.132 9.132 8.549 0.583 18951 511 1 3 . 1 1 16 16 ASP N N 16 119.626 119.626 121.040 -1.414 18951 512 1 3 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.458 0.132 18951 513 1 3 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.752 -26.647 18951 514 1 3 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.516 2.420 18951 515 1 3 . 1 1 16 16 ASP H H 16 7.315 7.315 8.030 -0.715 18951 516 1 3 . 1 1 17 17 LEU N N 17 121.081 121.081 120.300 0.781 18951 517 1 3 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.043 0.112 18951 518 1 3 . 1 1 17 17 LEU CA C 17 31.852 31.852 58.084 -26.232 18951 519 1 3 . 1 1 17 17 LEU CB C 17 41.200 41.200 42.086 -0.886 18951 520 1 3 . 1 1 17 17 LEU H H 17 7.864 7.864 7.747 0.117 18951 521 1 3 . 1 1 18 18 ASP N N 18 120.789 120.789 118.578 2.211 18951 522 1 3 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.309 0.103 18951 523 1 3 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.960 -26.404 18951 524 1 3 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.860 -0.368 18951 525 1 3 . 1 1 18 18 ASP H H 18 8.684 8.684 8.038 0.646 18951 526 1 3 . 1 1 19 19 ARG N N 19 121.558 121.558 118.472 3.086 18951 527 1 3 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.219 -0.174 18951 528 1 3 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.497 -24.836 18951 529 1 3 . 1 1 19 19 ARG CB C 19 30.150 30.150 29.900 0.250 18951 530 1 3 . 1 1 19 19 ARG H H 19 7.759 7.759 7.471 0.288 18951 531 1 3 . 1 1 20 20 LEU N N 20 120.844 120.844 119.875 0.969 18951 532 1 3 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.327 -0.319 18951 533 1 3 . 1 1 20 20 LEU CA C 20 32.109 32.109 56.936 -24.827 18951 534 1 3 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.844 -0.644 18951 535 1 3 . 1 1 20 20 LEU H H 20 8.459 8.459 7.604 0.855 18951 536 1 3 . 1 1 21 21 LYS N N 21 119.771 119.771 120.610 -0.839 18951 537 1 3 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.933 -0.083 18951 538 1 3 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.849 -25.514 18951 539 1 3 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.357 0.629 18951 540 1 3 . 1 1 21 21 LYS H H 21 8.531 8.531 8.605 -0.074 18951 541 1 3 . 1 1 22 22 ARG N N 22 119.843 119.843 117.786 2.057 18951 542 1 3 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.082 0.048 18951 543 1 3 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.863 -25.473 18951 544 1 3 . 1 1 22 22 ARG CB C 22 30.103 30.103 29.445 0.658 18951 545 1 3 . 1 1 22 22 ARG H H 22 7.653 7.653 7.693 -0.040 18951 546 1 3 . 1 1 23 23 VAL N N 23 120.992 120.992 119.932 1.060 18951 547 1 3 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.806 -0.176 18951 548 1 3 . 1 1 23 23 VAL CA C 23 40.891 40.891 64.792 -23.901 18951 549 1 3 . 1 1 23 23 VAL CB C 23 31.663 31.663 31.227 0.436 18951 550 1 3 . 1 1 23 23 VAL H H 23 8.443 8.443 7.356 1.087 18951 551 1 3 . 1 1 24 24 ILE N N 24 121.095 121.095 120.297 0.798 18951 552 1 3 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.399 -0.243 18951 553 1 3 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.269 -25.034 18951 554 1 3 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.057 1.356 18951 555 1 3 . 1 1 24 24 ILE H H 24 8.618 8.618 7.798 0.820 18951 556 1 3 . 1 1 25 25 ALA N N 25 122.768 122.768 121.185 1.583 18951 557 1 3 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.160 0.012 18951 558 1 3 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.509 -25.854 18951 559 1 3 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.657 25.618 18951 560 1 3 . 1 1 25 25 ALA H H 25 7.795 7.795 7.666 0.129 18951 561 1 3 . 1 1 26 26 LEU N N 26 117.435 117.435 118.033 -0.598 18951 562 1 3 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.242 -0.032 18951 563 1 3 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.215 -26.210 18951 564 1 3 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.504 0.841 18951 565 1 3 . 1 1 26 26 LEU H H 26 7.489 7.489 7.154 0.335 18951 566 1 3 . 1 1 27 27 LYS N N 27 116.796 116.796 115.978 0.818 18951 567 1 3 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.109 -0.030 18951 568 1 3 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.927 -27.731 18951 569 1 3 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.826 -0.777 18951 570 1 3 . 1 1 27 27 LYS H H 27 8.358 8.358 8.227 0.131 18951 571 1 3 . 1 1 28 28 LYS N N 28 116.168 116.168 118.089 -1.921 18951 572 1 3 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.115 -0.007 18951 573 1 3 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.019 -25.544 18951 574 1 3 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.087 0.408 18951 575 1 3 . 1 1 28 28 LYS H H 28 8.544 8.544 7.495 1.049 18951 576 1 3 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.354 -0.208 18951 577 1 3 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.592 -25.467 18951 578 1 3 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.304 -0.204 18951 579 1 3 . 1 1 30 30 SER N N 30 116.657 116.657 114.793 1.864 18951 580 1 3 . 1 1 30 30 SER HA H 30 4.971 4.971 4.578 0.393 18951 581 1 3 . 1 1 30 30 SER CA C 30 32.065 32.065 58.044 -25.979 18951 582 1 3 . 1 1 30 30 SER CB C 30 39.086 39.086 63.624 -24.538 18951 583 1 3 . 1 1 30 30 SER H H 30 9.003 9.003 8.246 0.757 18951 584 1 3 . 1 1 31 31 ALA N N 31 118.256 118.256 124.242 -5.986 18951 585 1 3 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.596 0.177 18951 586 1 3 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.166 -25.180 18951 587 1 3 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.295 27.210 18951 588 1 3 . 1 1 31 31 ALA H H 31 9.031 9.031 8.105 0.926 18951 589 1 3 . 1 1 32 32 SER N N 32 117.751 117.751 116.718 1.033 18951 590 1 3 . 1 1 32 32 SER HA H 32 4.315 4.315 4.930 -0.615 18951 591 1 3 . 1 1 32 32 SER CA C 32 32.525 32.525 56.669 -24.144 18951 592 1 3 . 1 1 32 32 SER CB C 32 38.556 38.556 64.014 -25.458 18951 593 1 3 . 1 1 32 32 SER H H 32 8.737 8.737 7.925 0.812 18951 594 1 3 . 1 1 33 33 ASP N N 33 124.239 124.239 126.895 -2.656 18951 595 1 3 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.454 -0.044 18951 596 1 3 . 1 1 33 33 ASP CA C 33 31.926 31.926 56.975 -25.049 18951 597 1 3 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.574 -0.994 18951 598 1 3 . 1 1 33 33 ASP H H 33 9.156 9.156 8.968 0.188 18951 599 1 3 . 1 1 34 34 ALA N N 34 124.661 124.661 121.139 3.522 18951 600 1 3 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.245 -0.093 18951 601 1 3 . 1 1 34 34 ALA CA C 34 29.705 29.705 53.963 -24.258 18951 602 1 3 . 1 1 34 34 ALA CB C 34 44.220 44.220 19.290 24.930 18951 603 1 3 . 1 1 34 34 ALA H H 34 8.716 8.716 7.637 1.079 18951 604 1 3 . 1 1 35 35 ASP N N 35 121.111 121.111 120.613 0.498 18951 605 1 3 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.476 -0.114 18951 606 1 3 . 1 1 35 35 ASP CA C 35 31.085 31.085 57.404 -26.319 18951 607 1 3 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.730 -1.353 18951 608 1 3 . 1 1 35 35 ASP H H 35 7.897 7.897 7.559 0.338 18951 609 1 3 . 1 1 36 36 TRP N N 36 121.306 121.306 120.108 1.198 18951 610 1 3 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.308 -0.428 18951 611 1 3 . 1 1 36 36 TRP CA C 36 35.255 35.255 61.368 -26.113 18951 612 1 3 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.162 -0.647 18951 613 1 3 . 1 1 36 36 TRP H H 36 8.061 8.061 8.572 -0.511 18951 614 1 3 . 1 1 37 37 THR N N 37 122.204 122.204 115.708 6.496 18951 615 1 3 . 1 1 37 37 THR HA H 37 3.975 3.975 3.869 0.106 18951 616 1 3 . 1 1 37 37 THR CA C 37 41.605 41.605 67.253 -25.648 18951 617 1 3 . 1 1 37 37 THR CB C 37 42.055 42.055 68.318 -26.263 18951 618 1 3 . 1 1 37 37 THR H H 37 8.658 8.658 7.790 0.868 18951 619 1 3 . 1 1 38 38 GLU N N 38 122.790 122.790 120.867 1.923 18951 620 1 3 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.088 0.152 18951 621 1 3 . 1 1 38 38 GLU CA C 38 33.094 33.094 59.547 -26.453 18951 622 1 3 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.211 -0.436 18951 623 1 3 . 1 1 38 38 GLU H H 38 7.229 7.229 7.716 -0.487 18951 624 1 3 . 1 1 39 39 VAL N N 39 118.792 118.792 118.363 0.429 18951 625 1 3 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.698 -0.411 18951 626 1 3 . 1 1 39 39 VAL CA C 39 40.331 40.331 66.041 -25.710 18951 627 1 3 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.148 -0.235 18951 628 1 3 . 1 1 39 39 VAL H H 39 7.392 7.392 7.415 -0.023 18951 629 1 3 . 1 1 40 40 LEU N N 40 119.835 119.835 117.381 2.454 18951 630 1 3 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.310 -0.262 18951 631 1 3 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.248 -24.494 18951 632 1 3 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.721 0.430 18951 633 1 3 . 1 1 40 40 LEU H H 40 8.305 8.305 8.565 -0.260 18951 634 1 3 . 1 1 41 41 ARG N N 41 123.317 123.317 120.566 2.751 18951 635 1 3 . 1 1 41 41 ARG HA H 41 4.059 4.059 3.958 0.101 18951 636 1 3 . 1 1 41 41 ARG CA C 41 33.613 33.613 58.910 -25.297 18951 637 1 3 . 1 1 41 41 ARG CB C 41 30.288 30.288 29.375 0.913 18951 638 1 3 . 1 1 41 41 ARG H H 41 8.132 8.132 7.936 0.196 18951 639 1 3 . 1 1 42 42 LEU N N 42 119.831 119.831 118.729 1.102 18951 640 1 3 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.123 -0.000 18951 641 1 3 . 1 1 42 42 LEU CA C 42 30.690 30.690 57.582 -26.892 18951 642 1 3 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.008 0.772 18951 643 1 3 . 1 1 42 42 LEU H H 42 7.627 7.627 7.735 -0.108 18951 644 1 3 . 1 1 43 43 LEU N N 43 121.439 121.439 118.376 3.063 18951 645 1 3 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.345 -0.475 18951 646 1 3 . 1 1 43 43 LEU CA C 43 31.635 31.635 55.061 -23.426 18951 647 1 3 . 1 1 43 43 LEU CB C 43 43.324 43.324 41.977 1.347 18951 648 1 3 . 1 1 43 43 LEU H H 43 8.476 8.476 7.758 0.718 18951 649 1 3 . 1 1 44 44 ALA N N 44 118.277 118.277 122.968 -4.691 18951 650 1 3 . 1 1 44 44 ALA HA H 44 3.921 3.921 3.979 -0.058 18951 651 1 3 . 1 1 44 44 ALA CA C 44 26.718 26.718 55.153 -28.434 18951 652 1 3 . 1 1 44 44 ALA CB C 44 42.811 42.811 18.087 24.724 18951 653 1 3 . 1 1 44 44 ALA H H 44 7.871 7.871 8.150 -0.279 18951 654 1 3 . 1 1 45 45 LYS N N 45 122.047 122.047 118.312 3.735 18951 655 1 3 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.050 0.336 18951 656 1 3 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.500 -29.665 18951 657 1 3 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.437 1.655 18951 658 1 3 . 1 1 45 45 LYS H H 45 8.864 8.864 7.956 0.908 18951 659 1 3 . 1 1 46 46 GLU N N 46 110.362 110.362 116.397 -6.035 18951 660 1 3 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.412 -0.512 18951 661 1 3 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.216 -22.971 18951 662 1 3 . 1 1 46 46 GLU CB C 46 29.406 29.406 28.928 0.478 18951 663 1 3 . 1 1 46 46 GLU H H 46 8.780 8.780 7.855 0.925 18951 664 1 3 . 1 1 47 47 GLY N N 47 112.932 112.932 108.533 4.399 18951 665 1 3 . 1 1 47 47 GLY CA C 47 45.100 45.100 45.932 -0.832 18951 666 1 3 . 1 1 47 47 GLY H H 47 8.877 8.877 8.002 0.875 18951 667 1 4 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.505 -0.039 18951 668 1 4 . 1 1 2 2 PRO CA C 2 37.135 37.135 63.087 -25.952 18951 669 1 4 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.428 -0.018 18951 670 1 4 . 1 1 3 3 LEU N N 3 123.217 123.217 119.290 3.927 18951 671 1 4 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.115 0.221 18951 672 1 4 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.782 -25.377 18951 673 1 4 . 1 1 3 3 LEU CB C 3 42.450 42.450 42.104 0.346 18951 674 1 4 . 1 1 3 3 LEU H H 3 8.523 8.523 7.763 0.760 18951 675 1 4 . 1 1 4 4 GLY N N 4 110.431 110.431 111.278 -0.847 18951 676 1 4 . 1 1 4 4 GLY CA C 4 45.314 45.314 45.348 -0.034 18951 677 1 4 . 1 1 4 4 GLY H H 4 8.399 8.399 8.806 -0.407 18951 678 1 4 . 1 1 5 5 SER N N 5 116.309 116.309 115.649 0.660 18951 679 1 4 . 1 1 5 5 SER HA H 5 4.460 4.460 4.746 -0.286 18951 680 1 4 . 1 1 5 5 SER CA C 5 32.148 32.148 58.121 -25.973 18951 681 1 4 . 1 1 5 5 SER CB C 5 38.011 38.011 63.841 -25.830 18951 682 1 4 . 1 1 5 5 SER H H 5 8.169 8.169 8.135 0.034 18951 683 1 4 . 1 1 6 6 VAL N N 6 122.407 122.407 122.524 -0.117 18951 684 1 4 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.227 -0.104 18951 685 1 4 . 1 1 6 6 VAL CA C 6 36.145 36.145 62.143 -25.998 18951 686 1 4 . 1 1 6 6 VAL CB C 6 32.794 32.794 32.408 0.386 18951 687 1 4 . 1 1 6 6 VAL H H 6 8.138 8.138 7.783 0.355 18951 688 1 4 . 1 1 7 7 ALA N N 7 128.473 128.473 128.160 0.313 18951 689 1 4 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.697 -0.412 18951 690 1 4 . 1 1 7 7 ALA CA C 7 26.375 26.375 51.538 -25.163 18951 691 1 4 . 1 1 7 7 ALA CB C 7 45.395 45.395 19.555 25.840 18951 692 1 4 . 1 1 7 7 ALA H H 7 8.311 8.311 8.346 -0.035 18951 693 1 4 . 1 1 8 8 LYS N N 8 121.756 121.756 122.783 -1.027 18951 694 1 4 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.440 -0.183 18951 695 1 4 . 1 1 8 8 LYS CA C 8 30.073 30.073 56.073 -26.000 18951 696 1 4 . 1 1 8 8 LYS CB C 8 33.210 33.210 33.274 -0.064 18951 697 1 4 . 1 1 8 8 LYS H H 8 8.224 8.224 8.506 -0.282 18951 698 1 4 . 1 1 9 9 LYS N N 9 124.006 124.006 120.635 3.371 18951 699 1 4 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.362 -0.055 18951 700 1 4 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.730 -25.659 18951 701 1 4 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.534 0.731 18951 702 1 4 . 1 1 9 9 LYS H H 9 8.286 8.286 8.415 -0.129 18951 703 1 4 . 1 1 10 10 ILE N N 10 125.481 125.481 119.276 6.205 18951 704 1 4 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.100 0.008 18951 705 1 4 . 1 1 10 10 ILE CA C 10 33.853 33.853 59.626 -25.773 18951 706 1 4 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.936 -1.542 18951 707 1 4 . 1 1 10 10 ILE H H 10 8.348 8.348 7.552 0.796 18951 708 1 4 . 1 1 11 11 THR N N 11 122.767 122.767 122.544 0.223 18951 709 1 4 . 1 1 11 11 THR HA H 11 4.479 4.479 4.407 0.072 18951 710 1 4 . 1 1 11 11 THR CA C 11 35.156 35.156 61.641 -26.485 18951 711 1 4 . 1 1 11 11 THR CB C 11 44.249 44.249 68.900 -24.651 18951 712 1 4 . 1 1 11 11 THR H H 11 8.492 8.492 8.203 0.289 18951 713 1 4 . 1 1 12 12 TRP N N 12 127.919 127.919 128.413 -0.494 18951 714 1 4 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.615 -0.183 18951 715 1 4 . 1 1 12 12 TRP CA C 12 30.705 30.705 56.753 -26.048 18951 716 1 4 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.566 -1.236 18951 717 1 4 . 1 1 12 12 TRP H H 12 9.037 9.037 8.450 0.587 18951 718 1 4 . 1 1 13 13 ARG N N 13 125.359 125.359 124.284 1.075 18951 719 1 4 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.614 0.019 18951 720 1 4 . 1 1 13 13 ARG CA C 13 28.685 28.685 55.204 -26.519 18951 721 1 4 . 1 1 13 13 ARG CB C 13 32.066 32.066 31.961 0.105 18951 722 1 4 . 1 1 13 13 ARG H H 13 9.039 9.039 8.302 0.737 18951 723 1 4 . 1 1 14 14 LYS N N 14 126.125 126.125 121.725 4.400 18951 724 1 4 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.987 0.021 18951 725 1 4 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.547 -24.672 18951 726 1 4 . 1 1 14 14 LYS CB C 14 32.114 32.114 31.988 0.126 18951 727 1 4 . 1 1 14 14 LYS H H 14 9.251 9.251 8.733 0.518 18951 728 1 4 . 1 1 15 15 GLN N N 15 115.429 115.429 118.820 -3.391 18951 729 1 4 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.196 0.058 18951 730 1 4 . 1 1 15 15 GLN CA C 15 33.152 33.152 58.330 -25.177 18951 731 1 4 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.326 -0.133 18951 732 1 4 . 1 1 15 15 GLN H H 15 9.132 9.132 8.496 0.635 18951 733 1 4 . 1 1 16 16 ASP N N 16 119.626 119.626 121.034 -1.408 18951 734 1 4 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.455 0.135 18951 735 1 4 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.204 -26.099 18951 736 1 4 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.722 2.214 18951 737 1 4 . 1 1 16 16 ASP H H 16 7.315 7.315 8.324 -1.009 18951 738 1 4 . 1 1 17 17 LEU N N 17 121.081 121.081 119.876 1.205 18951 739 1 4 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.013 0.142 18951 740 1 4 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.927 -26.075 18951 741 1 4 . 1 1 17 17 LEU CB C 17 41.200 41.200 42.000 -0.800 18951 742 1 4 . 1 1 17 17 LEU H H 17 7.864 7.864 7.912 -0.048 18951 743 1 4 . 1 1 18 18 ASP N N 18 120.789 120.789 118.345 2.444 18951 744 1 4 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.327 0.085 18951 745 1 4 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.633 -26.077 18951 746 1 4 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.855 -0.363 18951 747 1 4 . 1 1 18 18 ASP H H 18 8.684 8.684 7.857 0.827 18951 748 1 4 . 1 1 19 19 ARG N N 19 121.558 121.558 119.185 2.373 18951 749 1 4 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.193 -0.148 18951 750 1 4 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.872 -25.211 18951 751 1 4 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.510 -0.360 18951 752 1 4 . 1 1 19 19 ARG H H 19 7.759 7.759 7.756 0.003 18951 753 1 4 . 1 1 20 20 LEU N N 20 120.844 120.844 121.317 -0.473 18951 754 1 4 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.021 -0.013 18951 755 1 4 . 1 1 20 20 LEU CA C 20 32.109 32.109 57.998 -25.889 18951 756 1 4 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.716 -0.516 18951 757 1 4 . 1 1 20 20 LEU H H 20 8.459 8.459 7.606 0.853 18951 758 1 4 . 1 1 21 21 LYS N N 21 119.771 119.771 119.134 0.637 18951 759 1 4 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.811 0.039 18951 760 1 4 . 1 1 21 21 LYS CA C 21 34.335 34.335 60.257 -25.922 18951 761 1 4 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.128 0.858 18951 762 1 4 . 1 1 21 21 LYS H H 21 8.531 8.531 8.065 0.466 18951 763 1 4 . 1 1 22 22 ARG N N 22 119.843 119.843 117.212 2.631 18951 764 1 4 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.076 0.054 18951 765 1 4 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.801 -25.411 18951 766 1 4 . 1 1 22 22 ARG CB C 22 30.103 30.103 30.002 0.102 18951 767 1 4 . 1 1 22 22 ARG H H 22 7.653 7.653 7.881 -0.228 18951 768 1 4 . 1 1 23 23 VAL N N 23 120.992 120.992 119.154 1.838 18951 769 1 4 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.728 -0.098 18951 770 1 4 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.729 -24.838 18951 771 1 4 . 1 1 23 23 VAL CB C 23 31.663 31.663 32.196 -0.533 18951 772 1 4 . 1 1 23 23 VAL H H 23 8.443 8.443 7.524 0.919 18951 773 1 4 . 1 1 24 24 ILE N N 24 121.095 121.095 120.561 0.534 18951 774 1 4 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.321 -0.165 18951 775 1 4 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.214 -24.979 18951 776 1 4 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.279 1.134 18951 777 1 4 . 1 1 24 24 ILE H H 24 8.618 8.618 8.095 0.523 18951 778 1 4 . 1 1 25 25 ALA N N 25 122.768 122.768 120.445 2.323 18951 779 1 4 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.144 0.028 18951 780 1 4 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.490 -25.835 18951 781 1 4 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.637 25.638 18951 782 1 4 . 1 1 25 25 ALA H H 25 7.795 7.795 7.856 -0.061 18951 783 1 4 . 1 1 26 26 LEU N N 26 117.435 117.435 119.132 -1.697 18951 784 1 4 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.141 0.069 18951 785 1 4 . 1 1 26 26 LEU CA C 26 31.005 31.005 56.958 -25.953 18951 786 1 4 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.419 0.926 18951 787 1 4 . 1 1 26 26 LEU H H 26 7.489 7.489 7.479 0.010 18951 788 1 4 . 1 1 27 27 LYS N N 27 116.796 116.796 116.688 0.108 18951 789 1 4 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.155 -0.076 18951 790 1 4 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.469 -27.273 18951 791 1 4 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.827 -0.778 18951 792 1 4 . 1 1 27 27 LYS H H 27 8.358 8.358 8.264 0.094 18951 793 1 4 . 1 1 28 28 LYS N N 28 116.168 116.168 117.941 -1.773 18951 794 1 4 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.085 0.023 18951 795 1 4 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.082 -25.607 18951 796 1 4 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.605 -0.110 18951 797 1 4 . 1 1 28 28 LYS H H 28 8.544 8.544 7.775 0.769 18951 798 1 4 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.388 -0.242 18951 799 1 4 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.386 -25.261 18951 800 1 4 . 1 1 29 29 PRO CB C 29 32.100 32.100 31.834 0.266 18951 801 1 4 . 1 1 30 30 SER N N 30 116.657 116.657 114.101 2.556 18951 802 1 4 . 1 1 30 30 SER HA H 30 4.971 4.971 4.606 0.365 18951 803 1 4 . 1 1 30 30 SER CA C 30 32.065 32.065 57.764 -25.699 18951 804 1 4 . 1 1 30 30 SER CB C 30 39.086 39.086 63.103 -24.017 18951 805 1 4 . 1 1 30 30 SER H H 30 9.003 9.003 8.212 0.791 18951 806 1 4 . 1 1 31 31 ALA N N 31 118.256 118.256 123.918 -5.662 18951 807 1 4 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.689 0.084 18951 808 1 4 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.380 -25.395 18951 809 1 4 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.101 27.404 18951 810 1 4 . 1 1 31 31 ALA H H 31 9.031 9.031 8.651 0.380 18951 811 1 4 . 1 1 32 32 SER N N 32 117.751 117.751 115.694 2.057 18951 812 1 4 . 1 1 32 32 SER HA H 32 4.315 4.315 4.737 -0.422 18951 813 1 4 . 1 1 32 32 SER CA C 32 32.525 32.525 57.847 -25.322 18951 814 1 4 . 1 1 32 32 SER CB C 32 38.556 38.556 64.331 -25.775 18951 815 1 4 . 1 1 32 32 SER H H 32 8.737 8.737 8.380 0.357 18951 816 1 4 . 1 1 33 33 ASP N N 33 124.239 124.239 128.461 -4.222 18951 817 1 4 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.465 -0.055 18951 818 1 4 . 1 1 33 33 ASP CA C 33 31.926 31.926 57.669 -25.743 18951 819 1 4 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.784 -1.204 18951 820 1 4 . 1 1 33 33 ASP H H 33 9.156 9.156 9.073 0.083 18951 821 1 4 . 1 1 34 34 ALA N N 34 124.661 124.661 121.709 2.952 18951 822 1 4 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.207 -0.055 18951 823 1 4 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.736 -25.031 18951 824 1 4 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.774 25.446 18951 825 1 4 . 1 1 34 34 ALA H H 34 8.716 8.716 7.657 1.059 18951 826 1 4 . 1 1 35 35 ASP N N 35 121.111 121.111 120.503 0.608 18951 827 1 4 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.375 -0.013 18951 828 1 4 . 1 1 35 35 ASP CA C 35 31.085 31.085 57.521 -26.436 18951 829 1 4 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.708 -1.331 18951 830 1 4 . 1 1 35 35 ASP H H 35 7.897 7.897 7.760 0.137 18951 831 1 4 . 1 1 36 36 TRP N N 36 121.306 121.306 120.782 0.524 18951 832 1 4 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.431 -0.551 18951 833 1 4 . 1 1 36 36 TRP CA C 36 35.255 35.255 60.329 -25.074 18951 834 1 4 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.358 -0.843 18951 835 1 4 . 1 1 36 36 TRP H H 36 8.061 8.061 8.792 -0.731 18951 836 1 4 . 1 1 37 37 THR N N 37 122.204 122.204 115.259 6.945 18951 837 1 4 . 1 1 37 37 THR HA H 37 3.975 3.975 3.977 -0.002 18951 838 1 4 . 1 1 37 37 THR CA C 37 41.605 41.605 67.062 -25.457 18951 839 1 4 . 1 1 37 37 THR CB C 37 42.055 42.055 68.456 -26.401 18951 840 1 4 . 1 1 37 37 THR H H 37 8.658 8.658 8.097 0.561 18951 841 1 4 . 1 1 38 38 GLU N N 38 122.790 122.790 119.632 3.158 18951 842 1 4 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.241 -0.001 18951 843 1 4 . 1 1 38 38 GLU CA C 38 33.094 33.094 58.934 -25.840 18951 844 1 4 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.508 -0.733 18951 845 1 4 . 1 1 38 38 GLU H H 38 7.229 7.229 7.765 -0.536 18951 846 1 4 . 1 1 39 39 VAL N N 39 118.792 118.792 118.039 0.753 18951 847 1 4 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.883 -0.596 18951 848 1 4 . 1 1 39 39 VAL CA C 39 40.331 40.331 64.371 -24.041 18951 849 1 4 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.418 -0.505 18951 850 1 4 . 1 1 39 39 VAL H H 39 7.392 7.392 7.321 0.071 18951 851 1 4 . 1 1 40 40 LEU N N 40 119.835 119.835 118.933 0.902 18951 852 1 4 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.457 -0.409 18951 853 1 4 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.611 -24.857 18951 854 1 4 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.748 0.402 18951 855 1 4 . 1 1 40 40 LEU H H 40 8.305 8.305 8.751 -0.446 18951 856 1 4 . 1 1 41 41 ARG N N 41 123.317 123.317 119.585 3.732 18951 857 1 4 . 1 1 41 41 ARG HA H 41 4.059 4.059 4.031 0.028 18951 858 1 4 . 1 1 41 41 ARG CA C 41 33.613 33.613 58.886 -25.273 18951 859 1 4 . 1 1 41 41 ARG CB C 41 30.288 30.288 29.492 0.796 18951 860 1 4 . 1 1 41 41 ARG H H 41 8.132 8.132 7.827 0.305 18951 861 1 4 . 1 1 42 42 LEU N N 42 119.831 119.831 118.942 0.889 18951 862 1 4 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.265 -0.142 18951 863 1 4 . 1 1 42 42 LEU CA C 42 30.690 30.690 56.822 -26.132 18951 864 1 4 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.450 0.330 18951 865 1 4 . 1 1 42 42 LEU H H 42 7.627 7.627 7.506 0.121 18951 866 1 4 . 1 1 43 43 LEU N N 43 121.439 121.439 120.108 1.331 18951 867 1 4 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.043 -0.173 18951 868 1 4 . 1 1 43 43 LEU CA C 43 31.635 31.635 56.671 -25.036 18951 869 1 4 . 1 1 43 43 LEU CB C 43 43.324 43.324 41.556 1.768 18951 870 1 4 . 1 1 43 43 LEU H H 43 8.476 8.476 7.727 0.749 18951 871 1 4 . 1 1 44 44 ALA N N 44 118.277 118.277 122.716 -4.439 18951 872 1 4 . 1 1 44 44 ALA HA H 44 3.921 3.921 4.035 -0.114 18951 873 1 4 . 1 1 44 44 ALA CA C 44 26.718 26.718 54.690 -27.972 18951 874 1 4 . 1 1 44 44 ALA CB C 44 42.811 42.811 17.921 24.890 18951 875 1 4 . 1 1 44 44 ALA H H 44 7.871 7.871 8.494 -0.623 18951 876 1 4 . 1 1 45 45 LYS N N 45 122.047 122.047 119.123 2.924 18951 877 1 4 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.047 0.339 18951 878 1 4 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.632 -29.797 18951 879 1 4 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.558 1.534 18951 880 1 4 . 1 1 45 45 LYS H H 45 8.864 8.864 7.612 1.252 18951 881 1 4 . 1 1 46 46 GLU N N 46 110.362 110.362 117.010 -6.648 18951 882 1 4 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.438 -0.538 18951 883 1 4 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.350 -23.105 18951 884 1 4 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.917 -0.511 18951 885 1 4 . 1 1 46 46 GLU H H 46 8.780 8.780 7.570 1.210 18951 886 1 4 . 1 1 47 47 GLY N N 47 112.932 112.932 108.766 4.166 18951 887 1 4 . 1 1 47 47 GLY CA C 47 45.100 45.100 46.022 -0.922 18951 888 1 4 . 1 1 47 47 GLY H H 47 8.877 8.877 8.122 0.755 18951 889 1 5 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.720 -0.254 18951 890 1 5 . 1 1 2 2 PRO CA C 2 37.135 37.135 62.645 -25.510 18951 891 1 5 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.209 0.201 18951 892 1 5 . 1 1 3 3 LEU N N 3 123.217 123.217 116.779 6.438 18951 893 1 5 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.664 -0.328 18951 894 1 5 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.302 -24.897 18951 895 1 5 . 1 1 3 3 LEU CB C 3 42.450 42.450 42.142 0.309 18951 896 1 5 . 1 1 3 3 LEU H H 3 8.523 8.523 8.274 0.249 18951 897 1 5 . 1 1 4 4 GLY N N 4 110.431 110.431 109.946 0.485 18951 898 1 5 . 1 1 4 4 GLY CA C 4 45.314 45.314 44.948 0.366 18951 899 1 5 . 1 1 4 4 GLY H H 4 8.399 8.399 8.047 0.352 18951 900 1 5 . 1 1 5 5 SER N N 5 116.309 116.309 118.234 -1.925 18951 901 1 5 . 1 1 5 5 SER HA H 5 4.460 4.460 4.631 -0.172 18951 902 1 5 . 1 1 5 5 SER CA C 5 32.148 32.148 57.512 -25.364 18951 903 1 5 . 1 1 5 5 SER CB C 5 38.011 38.011 63.144 -25.133 18951 904 1 5 . 1 1 5 5 SER H H 5 8.169 8.169 8.592 -0.423 18951 905 1 5 . 1 1 6 6 VAL N N 6 122.407 122.407 120.486 1.921 18951 906 1 5 . 1 1 6 6 VAL HA H 6 4.123 4.123 3.789 0.334 18951 907 1 5 . 1 1 6 6 VAL CA C 6 36.145 36.145 62.591 -26.446 18951 908 1 5 . 1 1 6 6 VAL CB C 6 32.794 32.794 29.700 3.095 18951 909 1 5 . 1 1 6 6 VAL H H 6 8.138 8.138 7.914 0.224 18951 910 1 5 . 1 1 7 7 ALA N N 7 128.473 128.473 125.676 2.797 18951 911 1 5 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.004 0.281 18951 912 1 5 . 1 1 7 7 ALA CA C 7 26.375 26.375 53.337 -26.962 18951 913 1 5 . 1 1 7 7 ALA CB C 7 45.395 45.395 19.001 26.394 18951 914 1 5 . 1 1 7 7 ALA H H 7 8.311 8.311 8.400 -0.089 18951 915 1 5 . 1 1 8 8 LYS N N 8 121.756 121.756 119.554 2.202 18951 916 1 5 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.245 0.012 18951 917 1 5 . 1 1 8 8 LYS CA C 8 30.073 30.073 58.241 -28.168 18951 918 1 5 . 1 1 8 8 LYS CB C 8 33.210 33.210 32.747 0.463 18951 919 1 5 . 1 1 8 8 LYS H H 8 8.224 8.224 8.264 -0.040 18951 920 1 5 . 1 1 9 9 LYS N N 9 124.006 124.006 116.440 7.566 18951 921 1 5 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.374 -0.067 18951 922 1 5 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.944 -25.873 18951 923 1 5 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.709 0.556 18951 924 1 5 . 1 1 9 9 LYS H H 9 8.286 8.286 7.951 0.335 18951 925 1 5 . 1 1 10 10 ILE N N 10 125.481 125.481 120.713 4.768 18951 926 1 5 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.210 -0.102 18951 927 1 5 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.505 -26.652 18951 928 1 5 . 1 1 10 10 ILE CB C 10 38.394 38.394 40.917 -2.523 18951 929 1 5 . 1 1 10 10 ILE H H 10 8.348 8.348 7.763 0.585 18951 930 1 5 . 1 1 11 11 THR N N 11 122.767 122.767 124.622 -1.855 18951 931 1 5 . 1 1 11 11 THR HA H 11 4.479 4.479 4.539 -0.060 18951 932 1 5 . 1 1 11 11 THR CA C 11 35.156 35.156 62.093 -26.937 18951 933 1 5 . 1 1 11 11 THR CB C 11 44.249 44.249 68.473 -24.224 18951 934 1 5 . 1 1 11 11 THR H H 11 8.492 8.492 8.280 0.212 18951 935 1 5 . 1 1 12 12 TRP N N 12 127.919 127.919 128.953 -1.034 18951 936 1 5 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.694 -0.262 18951 937 1 5 . 1 1 12 12 TRP CA C 12 30.705 30.705 56.620 -25.915 18951 938 1 5 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.904 -1.573 18951 939 1 5 . 1 1 12 12 TRP H H 12 9.037 9.037 8.482 0.555 18951 940 1 5 . 1 1 13 13 ARG N N 13 125.359 125.359 123.822 1.537 18951 941 1 5 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.774 -0.140 18951 942 1 5 . 1 1 13 13 ARG CA C 13 28.685 28.685 54.989 -26.304 18951 943 1 5 . 1 1 13 13 ARG CB C 13 32.066 32.066 32.455 -0.389 18951 944 1 5 . 1 1 13 13 ARG H H 13 9.039 9.039 8.486 0.553 18951 945 1 5 . 1 1 14 14 LYS N N 14 126.125 126.125 124.264 1.861 18951 946 1 5 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.925 0.083 18951 947 1 5 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.379 -24.503 18951 948 1 5 . 1 1 14 14 LYS CB C 14 32.114 32.114 31.966 0.148 18951 949 1 5 . 1 1 14 14 LYS H H 14 9.251 9.251 8.936 0.315 18951 950 1 5 . 1 1 15 15 GLN N N 15 115.429 115.429 117.988 -2.559 18951 951 1 5 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.142 0.112 18951 952 1 5 . 1 1 15 15 GLN CA C 15 33.152 33.152 59.205 -26.053 18951 953 1 5 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.184 0.009 18951 954 1 5 . 1 1 15 15 GLN H H 15 9.132 9.132 8.563 0.569 18951 955 1 5 . 1 1 16 16 ASP N N 16 119.626 119.626 120.951 -1.325 18951 956 1 5 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.551 0.039 18951 957 1 5 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.205 -26.100 18951 958 1 5 . 1 1 16 16 ASP CB C 16 42.936 42.936 41.107 1.829 18951 959 1 5 . 1 1 16 16 ASP H H 16 7.315 7.315 7.758 -0.443 18951 960 1 5 . 1 1 17 17 LEU N N 17 121.081 121.081 120.699 0.382 18951 961 1 5 . 1 1 17 17 LEU HA H 17 4.155 4.155 3.971 0.184 18951 962 1 5 . 1 1 17 17 LEU CA C 17 31.852 31.852 58.256 -26.404 18951 963 1 5 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.938 -0.738 18951 964 1 5 . 1 1 17 17 LEU H H 17 7.864 7.864 8.564 -0.700 18951 965 1 5 . 1 1 18 18 ASP N N 18 120.789 120.789 118.032 2.757 18951 966 1 5 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.318 0.094 18951 967 1 5 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.394 -25.838 18951 968 1 5 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.761 -0.269 18951 969 1 5 . 1 1 18 18 ASP H H 18 8.684 8.684 7.957 0.727 18951 970 1 5 . 1 1 19 19 ARG N N 19 121.558 121.558 119.640 1.918 18951 971 1 5 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.183 -0.138 18951 972 1 5 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.699 -25.038 18951 973 1 5 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.242 -0.092 18951 974 1 5 . 1 1 19 19 ARG H H 19 7.759 7.759 7.491 0.268 18951 975 1 5 . 1 1 20 20 LEU N N 20 120.844 120.844 120.986 -0.142 18951 976 1 5 . 1 1 20 20 LEU HA H 20 4.008 4.008 3.973 0.035 18951 977 1 5 . 1 1 20 20 LEU CA C 20 32.109 32.109 58.167 -26.058 18951 978 1 5 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.944 -0.744 18951 979 1 5 . 1 1 20 20 LEU H H 20 8.459 8.459 7.772 0.687 18951 980 1 5 . 1 1 21 21 LYS N N 21 119.771 119.771 119.404 0.367 18951 981 1 5 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.882 -0.032 18951 982 1 5 . 1 1 21 21 LYS CA C 21 34.335 34.335 60.231 -25.896 18951 983 1 5 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.123 0.863 18951 984 1 5 . 1 1 21 21 LYS H H 21 8.531 8.531 7.782 0.749 18951 985 1 5 . 1 1 22 22 ARG N N 22 119.843 119.843 117.070 2.773 18951 986 1 5 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.075 0.055 18951 987 1 5 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.899 -25.509 18951 988 1 5 . 1 1 22 22 ARG CB C 22 30.103 30.103 29.938 0.165 18951 989 1 5 . 1 1 22 22 ARG H H 22 7.653 7.653 7.915 -0.262 18951 990 1 5 . 1 1 23 23 VAL N N 23 120.992 120.992 119.552 1.440 18951 991 1 5 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.726 -0.096 18951 992 1 5 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.744 -24.853 18951 993 1 5 . 1 1 23 23 VAL CB C 23 31.663 31.663 32.211 -0.548 18951 994 1 5 . 1 1 23 23 VAL H H 23 8.443 8.443 7.418 1.025 18951 995 1 5 . 1 1 24 24 ILE N N 24 121.095 121.095 120.127 0.968 18951 996 1 5 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.368 -0.212 18951 997 1 5 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.051 -24.816 18951 998 1 5 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.200 1.213 18951 999 1 5 . 1 1 24 24 ILE H H 24 8.618 8.618 8.157 0.461 18951 1000 1 5 . 1 1 25 25 ALA N N 25 122.768 122.768 120.949 1.819 18951 1001 1 5 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.153 0.019 18951 1002 1 5 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.492 -25.837 18951 1003 1 5 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.721 25.554 18951 1004 1 5 . 1 1 25 25 ALA H H 25 7.795 7.795 7.954 -0.159 18951 1005 1 5 . 1 1 26 26 LEU N N 26 117.435 117.435 119.475 -2.040 18951 1006 1 5 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.213 -0.003 18951 1007 1 5 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.290 -26.285 18951 1008 1 5 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.616 0.729 18951 1009 1 5 . 1 1 26 26 LEU H H 26 7.489 7.489 7.493 -0.004 18951 1010 1 5 . 1 1 27 27 LYS N N 27 116.796 116.796 116.764 0.032 18951 1011 1 5 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.076 0.003 18951 1012 1 5 . 1 1 27 27 LYS CA C 27 29.196 29.196 57.191 -27.995 18951 1013 1 5 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.675 -0.626 18951 1014 1 5 . 1 1 27 27 LYS H H 27 8.358 8.358 8.285 0.073 18951 1015 1 5 . 1 1 28 28 LYS N N 28 116.168 116.168 117.259 -1.091 18951 1016 1 5 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.157 -0.049 18951 1017 1 5 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.312 -25.837 18951 1018 1 5 . 1 1 28 28 LYS CB C 28 30.495 30.495 29.973 0.523 18951 1019 1 5 . 1 1 28 28 LYS H H 28 8.544 8.544 7.534 1.010 18951 1020 1 5 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.675 -0.529 18951 1021 1 5 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.468 -25.343 18951 1022 1 5 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.213 -0.113 18951 1023 1 5 . 1 1 30 30 SER N N 30 116.657 116.657 115.121 1.536 18951 1024 1 5 . 1 1 30 30 SER HA H 30 4.971 4.971 4.636 0.335 18951 1025 1 5 . 1 1 30 30 SER CA C 30 32.065 32.065 57.889 -25.824 18951 1026 1 5 . 1 1 30 30 SER CB C 30 39.086 39.086 63.604 -24.518 18951 1027 1 5 . 1 1 30 30 SER H H 30 9.003 9.003 8.184 0.819 18951 1028 1 5 . 1 1 31 31 ALA N N 31 118.256 118.256 123.610 -5.354 18951 1029 1 5 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.609 0.164 18951 1030 1 5 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.092 -25.107 18951 1031 1 5 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.631 26.874 18951 1032 1 5 . 1 1 31 31 ALA H H 31 9.031 9.031 8.353 0.678 18951 1033 1 5 . 1 1 32 32 SER N N 32 117.751 117.751 115.599 2.152 18951 1034 1 5 . 1 1 32 32 SER HA H 32 4.315 4.315 4.754 -0.439 18951 1035 1 5 . 1 1 32 32 SER CA C 32 32.525 32.525 57.410 -24.885 18951 1036 1 5 . 1 1 32 32 SER CB C 32 38.556 38.556 65.277 -26.721 18951 1037 1 5 . 1 1 32 32 SER H H 32 8.737 8.737 8.089 0.648 18951 1038 1 5 . 1 1 33 33 ASP N N 33 124.239 124.239 128.333 -4.094 18951 1039 1 5 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.505 -0.095 18951 1040 1 5 . 1 1 33 33 ASP CA C 33 31.926 31.926 57.133 -25.207 18951 1041 1 5 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.782 -1.202 18951 1042 1 5 . 1 1 33 33 ASP H H 33 9.156 9.156 9.107 0.050 18951 1043 1 5 . 1 1 34 34 ALA N N 34 124.661 124.661 120.744 3.917 18951 1044 1 5 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.207 -0.055 18951 1045 1 5 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.390 -24.685 18951 1046 1 5 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.884 25.336 18951 1047 1 5 . 1 1 34 34 ALA H H 34 8.716 8.716 8.088 0.628 18951 1048 1 5 . 1 1 35 35 ASP N N 35 121.111 121.111 120.554 0.557 18951 1049 1 5 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.501 -0.139 18951 1050 1 5 . 1 1 35 35 ASP CA C 35 31.085 31.085 57.106 -26.021 18951 1051 1 5 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.782 -1.405 18951 1052 1 5 . 1 1 35 35 ASP H H 35 7.897 7.897 7.607 0.290 18951 1053 1 5 . 1 1 36 36 TRP N N 36 121.306 121.306 119.992 1.314 18951 1054 1 5 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.351 -0.471 18951 1055 1 5 . 1 1 36 36 TRP CA C 36 35.255 35.255 61.065 -25.810 18951 1056 1 5 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.284 -0.769 18951 1057 1 5 . 1 1 36 36 TRP H H 36 8.061 8.061 8.662 -0.601 18951 1058 1 5 . 1 1 37 37 THR N N 37 122.204 122.204 115.449 6.755 18951 1059 1 5 . 1 1 37 37 THR HA H 37 3.975 3.975 4.005 -0.030 18951 1060 1 5 . 1 1 37 37 THR CA C 37 41.605 41.605 66.962 -25.357 18951 1061 1 5 . 1 1 37 37 THR CB C 37 42.055 42.055 68.106 -26.051 18951 1062 1 5 . 1 1 37 37 THR H H 37 8.658 8.658 7.911 0.747 18951 1063 1 5 . 1 1 38 38 GLU N N 38 122.790 122.790 120.936 1.854 18951 1064 1 5 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.168 0.072 18951 1065 1 5 . 1 1 38 38 GLU CA C 38 33.094 33.094 59.346 -26.252 18951 1066 1 5 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.429 -0.654 18951 1067 1 5 . 1 1 38 38 GLU H H 38 7.229 7.229 7.701 -0.472 18951 1068 1 5 . 1 1 39 39 VAL N N 39 118.792 118.792 119.120 -0.328 18951 1069 1 5 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.707 -0.420 18951 1070 1 5 . 1 1 39 39 VAL CA C 39 40.331 40.331 66.426 -26.095 18951 1071 1 5 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.744 -0.831 18951 1072 1 5 . 1 1 39 39 VAL H H 39 7.392 7.392 7.340 0.052 18951 1073 1 5 . 1 1 40 40 LEU N N 40 119.835 119.835 116.376 3.459 18951 1074 1 5 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.430 -0.382 18951 1075 1 5 . 1 1 40 40 LEU CA C 40 32.754 32.754 56.837 -24.083 18951 1076 1 5 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.785 0.365 18951 1077 1 5 . 1 1 40 40 LEU H H 40 8.305 8.305 8.588 -0.283 18951 1078 1 5 . 1 1 41 41 ARG N N 41 123.317 123.317 120.321 2.996 18951 1079 1 5 . 1 1 41 41 ARG HA H 41 4.059 4.059 3.899 0.160 18951 1080 1 5 . 1 1 41 41 ARG CA C 41 33.613 33.613 59.759 -26.146 18951 1081 1 5 . 1 1 41 41 ARG CB C 41 30.288 30.288 29.957 0.331 18951 1082 1 5 . 1 1 41 41 ARG H H 41 8.132 8.132 7.707 0.425 18951 1083 1 5 . 1 1 42 42 LEU N N 42 119.831 119.831 118.755 1.076 18951 1084 1 5 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.122 0.001 18951 1085 1 5 . 1 1 42 42 LEU CA C 42 30.690 30.690 57.600 -26.910 18951 1086 1 5 . 1 1 42 42 LEU CB C 42 42.780 42.780 41.948 0.832 18951 1087 1 5 . 1 1 42 42 LEU H H 42 7.627 7.627 7.799 -0.172 18951 1088 1 5 . 1 1 43 43 LEU N N 43 121.439 121.439 118.084 3.355 18951 1089 1 5 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.334 -0.464 18951 1090 1 5 . 1 1 43 43 LEU CA C 43 31.635 31.635 55.174 -23.539 18951 1091 1 5 . 1 1 43 43 LEU CB C 43 43.324 43.324 42.028 1.296 18951 1092 1 5 . 1 1 43 43 LEU H H 43 8.476 8.476 7.723 0.753 18951 1093 1 5 . 1 1 44 44 ALA N N 44 118.277 118.277 122.861 -4.584 18951 1094 1 5 . 1 1 44 44 ALA HA H 44 3.921 3.921 4.015 -0.094 18951 1095 1 5 . 1 1 44 44 ALA CA C 44 26.718 26.718 55.048 -28.330 18951 1096 1 5 . 1 1 44 44 ALA CB C 44 42.811 42.811 18.136 24.675 18951 1097 1 5 . 1 1 44 44 ALA H H 44 7.871 7.871 8.109 -0.238 18951 1098 1 5 . 1 1 45 45 LYS N N 45 122.047 122.047 118.952 3.095 18951 1099 1 5 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.026 0.360 18951 1100 1 5 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.647 -29.812 18951 1101 1 5 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.358 1.734 18951 1102 1 5 . 1 1 45 45 LYS H H 45 8.864 8.864 8.217 0.647 18951 1103 1 5 . 1 1 46 46 GLU N N 46 110.362 110.362 116.801 -6.439 18951 1104 1 5 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.340 -0.440 18951 1105 1 5 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.616 -23.371 18951 1106 1 5 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.636 -0.230 18951 1107 1 5 . 1 1 46 46 GLU H H 46 8.780 8.780 7.947 0.833 18951 1108 1 5 . 1 1 47 47 GLY N N 47 112.932 112.932 108.133 4.799 18951 1109 1 5 . 1 1 47 47 GLY CA C 47 45.100 45.100 44.801 0.299 18951 1110 1 5 . 1 1 47 47 GLY H H 47 8.877 8.877 7.863 1.014 18951 1111 1 6 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.534 -0.068 18951 1112 1 6 . 1 1 2 2 PRO CA C 2 37.135 37.135 63.314 -26.179 18951 1113 1 6 . 1 1 2 2 PRO CB C 2 32.410 32.410 31.189 1.221 18951 1114 1 6 . 1 1 3 3 LEU N N 3 123.217 123.217 125.425 -2.208 18951 1115 1 6 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.544 -0.208 18951 1116 1 6 . 1 1 3 3 LEU CA C 3 29.405 29.405 55.705 -26.300 18951 1117 1 6 . 1 1 3 3 LEU CB C 3 42.450 42.450 43.738 -1.288 18951 1118 1 6 . 1 1 3 3 LEU H H 3 8.523 8.523 7.974 0.549 18951 1119 1 6 . 1 1 4 4 GLY N N 4 110.431 110.431 110.748 -0.317 18951 1120 1 6 . 1 1 4 4 GLY CA C 4 45.314 45.314 44.632 0.682 18951 1121 1 6 . 1 1 4 4 GLY H H 4 8.399 8.399 8.276 0.123 18951 1122 1 6 . 1 1 5 5 SER N N 5 116.309 116.309 113.334 2.975 18951 1123 1 6 . 1 1 5 5 SER HA H 5 4.460 4.460 4.530 -0.070 18951 1124 1 6 . 1 1 5 5 SER CA C 5 32.148 32.148 58.209 -26.061 18951 1125 1 6 . 1 1 5 5 SER CB C 5 38.011 38.011 64.221 -26.210 18951 1126 1 6 . 1 1 5 5 SER H H 5 8.169 8.169 8.299 -0.130 18951 1127 1 6 . 1 1 6 6 VAL N N 6 122.407 122.407 119.818 2.589 18951 1128 1 6 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.326 -0.203 18951 1129 1 6 . 1 1 6 6 VAL CA C 6 36.145 36.145 62.270 -26.125 18951 1130 1 6 . 1 1 6 6 VAL CB C 6 32.794 32.794 32.237 0.557 18951 1131 1 6 . 1 1 6 6 VAL H H 6 8.138 8.138 8.242 -0.104 18951 1132 1 6 . 1 1 7 7 ALA N N 7 128.473 128.473 121.993 6.480 18951 1133 1 6 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.463 -0.178 18951 1134 1 6 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.124 -25.749 18951 1135 1 6 . 1 1 7 7 ALA CB C 7 45.395 45.395 18.779 26.616 18951 1136 1 6 . 1 1 7 7 ALA H H 7 8.311 8.311 8.326 -0.015 18951 1137 1 6 . 1 1 8 8 LYS N N 8 121.756 121.756 118.905 2.851 18951 1138 1 6 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.433 -0.176 18951 1139 1 6 . 1 1 8 8 LYS CA C 8 30.073 30.073 55.631 -25.558 18951 1140 1 6 . 1 1 8 8 LYS CB C 8 33.210 33.210 35.495 -2.285 18951 1141 1 6 . 1 1 8 8 LYS H H 8 8.224 8.224 7.680 0.544 18951 1142 1 6 . 1 1 9 9 LYS N N 9 124.006 124.006 119.719 4.287 18951 1143 1 6 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.039 0.268 18951 1144 1 6 . 1 1 9 9 LYS CA C 9 30.071 30.071 56.724 -26.653 18951 1145 1 6 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.666 0.599 18951 1146 1 6 . 1 1 9 9 LYS H H 9 8.286 8.286 8.268 0.018 18951 1147 1 6 . 1 1 10 10 ILE N N 10 125.481 125.481 120.834 4.647 18951 1148 1 6 . 1 1 10 10 ILE HA H 10 4.108 4.108 3.987 0.121 18951 1149 1 6 . 1 1 10 10 ILE CA C 10 33.853 33.853 61.095 -27.242 18951 1150 1 6 . 1 1 10 10 ILE CB C 10 38.394 38.394 37.455 0.940 18951 1151 1 6 . 1 1 10 10 ILE H H 10 8.348 8.348 8.215 0.133 18951 1152 1 6 . 1 1 11 11 THR N N 11 122.767 122.767 123.799 -1.032 18951 1153 1 6 . 1 1 11 11 THR HA H 11 4.479 4.479 4.466 0.013 18951 1154 1 6 . 1 1 11 11 THR CA C 11 35.156 35.156 61.499 -26.343 18951 1155 1 6 . 1 1 11 11 THR CB C 11 44.249 44.249 68.664 -24.415 18951 1156 1 6 . 1 1 11 11 THR H H 11 8.492 8.492 8.219 0.273 18951 1157 1 6 . 1 1 12 12 TRP N N 12 127.919 127.919 128.478 -0.559 18951 1158 1 6 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.506 -0.074 18951 1159 1 6 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.619 -26.914 18951 1160 1 6 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.476 -1.146 18951 1161 1 6 . 1 1 12 12 TRP H H 12 9.037 9.037 8.528 0.509 18951 1162 1 6 . 1 1 13 13 ARG N N 13 125.359 125.359 122.106 3.253 18951 1163 1 6 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.668 -0.034 18951 1164 1 6 . 1 1 13 13 ARG CA C 13 28.685 28.685 54.167 -25.482 18951 1165 1 6 . 1 1 13 13 ARG CB C 13 32.066 32.066 32.364 -0.298 18951 1166 1 6 . 1 1 13 13 ARG H H 13 9.039 9.039 8.118 0.921 18951 1167 1 6 . 1 1 14 14 LYS N N 14 126.125 126.125 121.615 4.510 18951 1168 1 6 . 1 1 14 14 LYS HA H 14 4.008 4.008 4.031 -0.023 18951 1169 1 6 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.499 -24.624 18951 1170 1 6 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.236 -0.122 18951 1171 1 6 . 1 1 14 14 LYS H H 14 9.251 9.251 8.830 0.421 18951 1172 1 6 . 1 1 15 15 GLN N N 15 115.429 115.429 118.297 -2.868 18951 1173 1 6 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.110 0.144 18951 1174 1 6 . 1 1 15 15 GLN CA C 15 33.152 33.152 59.128 -25.976 18951 1175 1 6 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.201 -0.008 18951 1176 1 6 . 1 1 15 15 GLN H H 15 9.132 9.132 8.300 0.832 18951 1177 1 6 . 1 1 16 16 ASP N N 16 119.626 119.626 120.690 -1.064 18951 1178 1 6 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.502 0.088 18951 1179 1 6 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.275 -26.170 18951 1180 1 6 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.300 2.635 18951 1181 1 6 . 1 1 16 16 ASP H H 16 7.315 7.315 8.028 -0.713 18951 1182 1 6 . 1 1 17 17 LEU N N 17 121.081 121.081 119.833 1.248 18951 1183 1 6 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.106 0.049 18951 1184 1 6 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.900 -26.048 18951 1185 1 6 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.190 0.010 18951 1186 1 6 . 1 1 17 17 LEU H H 17 7.864 7.864 8.323 -0.459 18951 1187 1 6 . 1 1 18 18 ASP N N 18 120.789 120.789 119.006 1.783 18951 1188 1 6 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.325 0.087 18951 1189 1 6 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.630 -26.074 18951 1190 1 6 . 1 1 18 18 ASP CB C 18 40.492 40.492 41.036 -0.544 18951 1191 1 6 . 1 1 18 18 ASP H H 18 8.684 8.684 7.930 0.754 18951 1192 1 6 . 1 1 19 19 ARG N N 19 121.558 121.558 119.297 2.261 18951 1193 1 6 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.162 -0.117 18951 1194 1 6 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.874 -25.213 18951 1195 1 6 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.351 -0.201 18951 1196 1 6 . 1 1 19 19 ARG H H 19 7.759 7.759 7.462 0.297 18951 1197 1 6 . 1 1 20 20 LEU N N 20 120.844 120.844 121.117 -0.273 18951 1198 1 6 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.017 -0.009 18951 1199 1 6 . 1 1 20 20 LEU CA C 20 32.109 32.109 58.292 -26.183 18951 1200 1 6 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.903 -0.703 18951 1201 1 6 . 1 1 20 20 LEU H H 20 8.459 8.459 7.932 0.527 18951 1202 1 6 . 1 1 21 21 LYS N N 21 119.771 119.771 118.989 0.782 18951 1203 1 6 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.917 -0.067 18951 1204 1 6 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.814 -25.479 18951 1205 1 6 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.125 0.861 18951 1206 1 6 . 1 1 21 21 LYS H H 21 8.531 8.531 7.960 0.571 18951 1207 1 6 . 1 1 22 22 ARG N N 22 119.843 119.843 117.946 1.897 18951 1208 1 6 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.096 0.034 18951 1209 1 6 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.767 -25.378 18951 1210 1 6 . 1 1 22 22 ARG CB C 22 30.103 30.103 29.825 0.278 18951 1211 1 6 . 1 1 22 22 ARG H H 22 7.653 7.653 7.613 0.040 18951 1212 1 6 . 1 1 23 23 VAL N N 23 120.992 120.992 119.505 1.487 18951 1213 1 6 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.754 -0.124 18951 1214 1 6 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.564 -24.673 18951 1215 1 6 . 1 1 23 23 VAL CB C 23 31.663 31.663 31.987 -0.324 18951 1216 1 6 . 1 1 23 23 VAL H H 23 8.443 8.443 7.131 1.312 18951 1217 1 6 . 1 1 24 24 ILE N N 24 121.095 121.095 120.035 1.060 18951 1218 1 6 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.350 -0.194 18951 1219 1 6 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.099 -24.864 18951 1220 1 6 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.145 1.268 18951 1221 1 6 . 1 1 24 24 ILE H H 24 8.618 8.618 7.848 0.770 18951 1222 1 6 . 1 1 25 25 ALA N N 25 122.768 122.768 120.817 1.951 18951 1223 1 6 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.136 0.036 18951 1224 1 6 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.532 -25.877 18951 1225 1 6 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.687 25.588 18951 1226 1 6 . 1 1 25 25 ALA H H 25 7.795 7.795 7.552 0.243 18951 1227 1 6 . 1 1 26 26 LEU N N 26 117.435 117.435 118.134 -0.699 18951 1228 1 6 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.192 0.018 18951 1229 1 6 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.340 -26.335 18951 1230 1 6 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.465 0.880 18951 1231 1 6 . 1 1 26 26 LEU H H 26 7.489 7.489 7.568 -0.079 18951 1232 1 6 . 1 1 27 27 LYS N N 27 116.796 116.796 117.549 -0.753 18951 1233 1 6 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.105 -0.026 18951 1234 1 6 . 1 1 27 27 LYS CA C 27 29.196 29.196 57.119 -27.923 18951 1235 1 6 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.934 -0.885 18951 1236 1 6 . 1 1 27 27 LYS H H 27 8.358 8.358 8.202 0.156 18951 1237 1 6 . 1 1 28 28 LYS N N 28 116.168 116.168 117.676 -1.508 18951 1238 1 6 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.136 -0.028 18951 1239 1 6 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.155 -25.680 18951 1240 1 6 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.042 0.453 18951 1241 1 6 . 1 1 28 28 LYS H H 28 8.544 8.544 7.444 1.099 18951 1242 1 6 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.523 -0.377 18951 1243 1 6 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.175 -25.049 18951 1244 1 6 . 1 1 29 29 PRO CB C 29 32.100 32.100 31.911 0.189 18951 1245 1 6 . 1 1 30 30 SER N N 30 116.657 116.657 114.794 1.863 18951 1246 1 6 . 1 1 30 30 SER HA H 30 4.971 4.971 4.631 0.340 18951 1247 1 6 . 1 1 30 30 SER CA C 30 32.065 32.065 57.964 -25.899 18951 1248 1 6 . 1 1 30 30 SER CB C 30 39.086 39.086 63.517 -24.431 18951 1249 1 6 . 1 1 30 30 SER H H 30 9.003 9.003 8.231 0.772 18951 1250 1 6 . 1 1 31 31 ALA N N 31 118.256 118.256 124.254 -5.998 18951 1251 1 6 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.682 0.091 18951 1252 1 6 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.628 -25.643 18951 1253 1 6 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.114 27.391 18951 1254 1 6 . 1 1 31 31 ALA H H 31 9.031 9.031 8.716 0.315 18951 1255 1 6 . 1 1 32 32 SER N N 32 117.751 117.751 115.093 2.658 18951 1256 1 6 . 1 1 32 32 SER HA H 32 4.315 4.315 4.637 -0.322 18951 1257 1 6 . 1 1 32 32 SER CA C 32 32.525 32.525 57.720 -25.195 18951 1258 1 6 . 1 1 32 32 SER CB C 32 38.556 38.556 64.827 -26.271 18951 1259 1 6 . 1 1 32 32 SER H H 32 8.737 8.737 8.328 0.409 18951 1260 1 6 . 1 1 33 33 ASP N N 33 124.239 124.239 126.257 -2.018 18951 1261 1 6 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.567 -0.157 18951 1262 1 6 . 1 1 33 33 ASP CA C 33 31.926 31.926 57.168 -25.242 18951 1263 1 6 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.742 -1.162 18951 1264 1 6 . 1 1 33 33 ASP H H 33 9.156 9.156 8.928 0.228 18951 1265 1 6 . 1 1 34 34 ALA N N 34 124.661 124.661 120.536 4.125 18951 1266 1 6 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.191 -0.039 18951 1267 1 6 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.552 -24.847 18951 1268 1 6 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.311 25.909 18951 1269 1 6 . 1 1 34 34 ALA H H 34 8.716 8.716 8.129 0.587 18951 1270 1 6 . 1 1 35 35 ASP N N 35 121.111 121.111 118.489 2.622 18951 1271 1 6 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.732 -0.370 18951 1272 1 6 . 1 1 35 35 ASP CA C 35 31.085 31.085 56.544 -25.459 18951 1273 1 6 . 1 1 35 35 ASP CB C 35 39.377 39.377 41.531 -2.154 18951 1274 1 6 . 1 1 35 35 ASP H H 35 7.897 7.897 7.853 0.044 18951 1275 1 6 . 1 1 36 36 TRP N N 36 121.306 121.306 121.700 -0.394 18951 1276 1 6 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.449 -0.569 18951 1277 1 6 . 1 1 36 36 TRP CA C 36 35.255 35.255 60.594 -25.339 18951 1278 1 6 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.532 -1.017 18951 1279 1 6 . 1 1 36 36 TRP H H 36 8.061 8.061 8.867 -0.806 18951 1280 1 6 . 1 1 37 37 THR N N 37 122.204 122.204 115.162 7.042 18951 1281 1 6 . 1 1 37 37 THR HA H 37 3.975 3.975 3.983 -0.008 18951 1282 1 6 . 1 1 37 37 THR CA C 37 41.605 41.605 66.871 -25.266 18951 1283 1 6 . 1 1 37 37 THR CB C 37 42.055 42.055 68.654 -26.599 18951 1284 1 6 . 1 1 37 37 THR H H 37 8.658 8.658 8.014 0.644 18951 1285 1 6 . 1 1 38 38 GLU N N 38 122.790 122.790 120.148 2.642 18951 1286 1 6 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.198 0.042 18951 1287 1 6 . 1 1 38 38 GLU CA C 38 33.094 33.094 58.912 -25.818 18951 1288 1 6 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.754 -0.979 18951 1289 1 6 . 1 1 38 38 GLU H H 38 7.229 7.229 7.698 -0.469 18951 1290 1 6 . 1 1 39 39 VAL N N 39 118.792 118.792 119.561 -0.769 18951 1291 1 6 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.784 -0.497 18951 1292 1 6 . 1 1 39 39 VAL CA C 39 40.331 40.331 66.533 -26.202 18951 1293 1 6 . 1 1 39 39 VAL CB C 39 30.913 30.913 32.003 -1.090 18951 1294 1 6 . 1 1 39 39 VAL H H 39 7.392 7.392 7.299 0.093 18951 1295 1 6 . 1 1 40 40 LEU N N 40 119.835 119.835 118.575 1.260 18951 1296 1 6 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.405 -0.357 18951 1297 1 6 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.355 -24.602 18951 1298 1 6 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.731 0.419 18951 1299 1 6 . 1 1 40 40 LEU H H 40 8.305 8.305 8.588 -0.283 18951 1300 1 6 . 1 1 41 41 ARG N N 41 123.317 123.317 119.096 4.221 18951 1301 1 6 . 1 1 41 41 ARG HA H 41 4.059 4.059 3.949 0.110 18951 1302 1 6 . 1 1 41 41 ARG CA C 41 33.613 33.613 59.379 -25.766 18951 1303 1 6 . 1 1 41 41 ARG CB C 41 30.288 30.288 29.948 0.340 18951 1304 1 6 . 1 1 41 41 ARG H H 41 8.132 8.132 7.454 0.678 18951 1305 1 6 . 1 1 42 42 LEU N N 42 119.831 119.831 118.373 1.458 18951 1306 1 6 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.163 -0.040 18951 1307 1 6 . 1 1 42 42 LEU CA C 42 30.690 30.690 57.598 -26.908 18951 1308 1 6 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.083 0.697 18951 1309 1 6 . 1 1 42 42 LEU H H 42 7.627 7.627 7.765 -0.138 18951 1310 1 6 . 1 1 43 43 LEU N N 43 121.439 121.439 119.588 1.851 18951 1311 1 6 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.054 -0.184 18951 1312 1 6 . 1 1 43 43 LEU CA C 43 31.635 31.635 56.690 -25.055 18951 1313 1 6 . 1 1 43 43 LEU CB C 43 43.324 43.324 41.550 1.774 18951 1314 1 6 . 1 1 43 43 LEU H H 43 8.476 8.476 7.740 0.736 18951 1315 1 6 . 1 1 44 44 ALA N N 44 118.277 118.277 122.729 -4.452 18951 1316 1 6 . 1 1 44 44 ALA HA H 44 3.921 3.921 3.991 -0.070 18951 1317 1 6 . 1 1 44 44 ALA CA C 44 26.718 26.718 55.023 -28.305 18951 1318 1 6 . 1 1 44 44 ALA CB C 44 42.811 42.811 18.072 24.739 18951 1319 1 6 . 1 1 44 44 ALA H H 44 7.871 7.871 8.255 -0.384 18951 1320 1 6 . 1 1 45 45 LYS N N 45 122.047 122.047 118.459 3.588 18951 1321 1 6 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.066 0.320 18951 1322 1 6 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.711 -29.876 18951 1323 1 6 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.235 1.857 18951 1324 1 6 . 1 1 45 45 LYS H H 45 8.864 8.864 7.636 1.228 18951 1325 1 6 . 1 1 46 46 GLU N N 46 110.362 110.362 117.474 -7.112 18951 1326 1 6 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.416 -0.516 18951 1327 1 6 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.460 -23.215 18951 1328 1 6 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.389 0.017 18951 1329 1 6 . 1 1 46 46 GLU H H 46 8.780 8.780 7.977 0.803 18951 1330 1 6 . 1 1 47 47 GLY N N 47 112.932 112.932 109.205 3.727 18951 1331 1 6 . 1 1 47 47 GLY CA C 47 45.100 45.100 46.025 -0.925 18951 1332 1 6 . 1 1 47 47 GLY H H 47 8.877 8.877 8.115 0.762 18951 1333 1 7 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.508 -0.042 18951 1334 1 7 . 1 1 2 2 PRO CA C 2 37.135 37.135 62.095 -24.960 18951 1335 1 7 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.897 -0.487 18951 1336 1 7 . 1 1 3 3 LEU N N 3 123.217 123.217 123.405 -0.188 18951 1337 1 7 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.272 0.064 18951 1338 1 7 . 1 1 3 3 LEU CA C 3 29.405 29.405 55.057 -25.652 18951 1339 1 7 . 1 1 3 3 LEU CB C 3 42.450 42.450 41.269 1.181 18951 1340 1 7 . 1 1 3 3 LEU H H 3 8.523 8.523 8.323 0.200 18951 1341 1 7 . 1 1 4 4 GLY N N 4 110.431 110.431 110.989 -0.558 18951 1342 1 7 . 1 1 4 4 GLY CA C 4 45.314 45.314 44.489 0.825 18951 1343 1 7 . 1 1 4 4 GLY H H 4 8.399 8.399 7.815 0.584 18951 1344 1 7 . 1 1 5 5 SER N N 5 116.309 116.309 114.998 1.311 18951 1345 1 7 . 1 1 5 5 SER HA H 5 4.460 4.460 4.824 -0.364 18951 1346 1 7 . 1 1 5 5 SER CA C 5 32.148 32.148 57.305 -25.157 18951 1347 1 7 . 1 1 5 5 SER CB C 5 38.011 38.011 65.865 -27.854 18951 1348 1 7 . 1 1 5 5 SER H H 5 8.169 8.169 8.313 -0.144 18951 1349 1 7 . 1 1 6 6 VAL N N 6 122.407 122.407 119.208 3.199 18951 1350 1 7 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.196 -0.073 18951 1351 1 7 . 1 1 6 6 VAL CA C 6 36.145 36.145 62.773 -26.628 18951 1352 1 7 . 1 1 6 6 VAL CB C 6 32.794 32.794 31.955 0.839 18951 1353 1 7 . 1 1 6 6 VAL H H 6 8.138 8.138 8.079 0.059 18951 1354 1 7 . 1 1 7 7 ALA N N 7 128.473 128.473 122.962 5.511 18951 1355 1 7 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.097 0.188 18951 1356 1 7 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.428 -26.053 18951 1357 1 7 . 1 1 7 7 ALA CB C 7 45.395 45.395 18.549 26.846 18951 1358 1 7 . 1 1 7 7 ALA H H 7 8.311 8.311 8.272 0.039 18951 1359 1 7 . 1 1 8 8 LYS N N 8 121.756 121.756 117.837 3.919 18951 1360 1 7 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.062 0.195 18951 1361 1 7 . 1 1 8 8 LYS CA C 8 30.073 30.073 56.869 -26.796 18951 1362 1 7 . 1 1 8 8 LYS CB C 8 33.210 33.210 32.478 0.732 18951 1363 1 7 . 1 1 8 8 LYS H H 8 8.224 8.224 8.375 -0.151 18951 1364 1 7 . 1 1 9 9 LYS N N 9 124.006 124.006 120.116 3.890 18951 1365 1 7 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.419 -0.112 18951 1366 1 7 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.926 -25.855 18951 1367 1 7 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.999 0.266 18951 1368 1 7 . 1 1 9 9 LYS H H 9 8.286 8.286 8.303 -0.017 18951 1369 1 7 . 1 1 10 10 ILE N N 10 125.481 125.481 121.340 4.141 18951 1370 1 7 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.106 0.002 18951 1371 1 7 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.693 -26.840 18951 1372 1 7 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.139 -0.744 18951 1373 1 7 . 1 1 10 10 ILE H H 10 8.348 8.348 7.918 0.430 18951 1374 1 7 . 1 1 11 11 THR N N 11 122.767 122.767 123.550 -0.783 18951 1375 1 7 . 1 1 11 11 THR HA H 11 4.479 4.479 4.451 0.028 18951 1376 1 7 . 1 1 11 11 THR CA C 11 35.156 35.156 62.253 -27.097 18951 1377 1 7 . 1 1 11 11 THR CB C 11 44.249 44.249 68.990 -24.741 18951 1378 1 7 . 1 1 11 11 THR H H 11 8.492 8.492 8.293 0.199 18951 1379 1 7 . 1 1 12 12 TRP N N 12 127.919 127.919 128.798 -0.879 18951 1380 1 7 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.527 -0.095 18951 1381 1 7 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.550 -26.845 18951 1382 1 7 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.068 -0.738 18951 1383 1 7 . 1 1 12 12 TRP H H 12 9.037 9.037 8.497 0.540 18951 1384 1 7 . 1 1 13 13 ARG N N 13 125.359 125.359 125.271 0.088 18951 1385 1 7 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.447 0.187 18951 1386 1 7 . 1 1 13 13 ARG CA C 13 28.685 28.685 55.477 -26.791 18951 1387 1 7 . 1 1 13 13 ARG CB C 13 32.066 32.066 31.938 0.128 18951 1388 1 7 . 1 1 13 13 ARG H H 13 9.039 9.039 8.276 0.763 18951 1389 1 7 . 1 1 14 14 LYS N N 14 126.125 126.125 121.971 4.154 18951 1390 1 7 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.987 0.021 18951 1391 1 7 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.969 -25.095 18951 1392 1 7 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.259 -0.145 18951 1393 1 7 . 1 1 14 14 LYS H H 14 9.251 9.251 8.775 0.476 18951 1394 1 7 . 1 1 15 15 GLN N N 15 115.429 115.429 116.258 -0.829 18951 1395 1 7 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.195 0.059 18951 1396 1 7 . 1 1 15 15 GLN CA C 15 33.152 33.152 58.766 -25.614 18951 1397 1 7 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.538 -0.345 18951 1398 1 7 . 1 1 15 15 GLN H H 15 9.132 9.132 8.159 0.973 18951 1399 1 7 . 1 1 16 16 ASP N N 16 119.626 119.626 121.028 -1.402 18951 1400 1 7 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.411 0.179 18951 1401 1 7 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.138 -26.033 18951 1402 1 7 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.085 2.851 18951 1403 1 7 . 1 1 16 16 ASP H H 16 7.315 7.315 8.231 -0.916 18951 1404 1 7 . 1 1 17 17 LEU N N 17 121.081 121.081 119.114 1.967 18951 1405 1 7 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.286 -0.131 18951 1406 1 7 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.729 -25.877 18951 1407 1 7 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.153 0.047 18951 1408 1 7 . 1 1 17 17 LEU H H 17 7.864 7.864 8.033 -0.169 18951 1409 1 7 . 1 1 18 18 ASP N N 18 120.789 120.789 119.201 1.588 18951 1410 1 7 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.329 0.083 18951 1411 1 7 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.843 -26.287 18951 1412 1 7 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.830 -0.338 18951 1413 1 7 . 1 1 18 18 ASP H H 18 8.684 8.684 8.061 0.623 18951 1414 1 7 . 1 1 19 19 ARG N N 19 121.558 121.558 119.576 1.982 18951 1415 1 7 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.137 -0.092 18951 1416 1 7 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.757 -25.096 18951 1417 1 7 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.195 -0.045 18951 1418 1 7 . 1 1 19 19 ARG H H 19 7.759 7.759 7.511 0.248 18951 1419 1 7 . 1 1 20 20 LEU N N 20 120.844 120.844 121.046 -0.202 18951 1420 1 7 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.058 -0.050 18951 1421 1 7 . 1 1 20 20 LEU CA C 20 32.109 32.109 58.146 -26.037 18951 1422 1 7 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.992 -0.792 18951 1423 1 7 . 1 1 20 20 LEU H H 20 8.459 8.459 7.616 0.843 18951 1424 1 7 . 1 1 21 21 LYS N N 21 119.771 119.771 118.717 1.054 18951 1425 1 7 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.875 -0.025 18951 1426 1 7 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.856 -25.521 18951 1427 1 7 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.268 0.718 18951 1428 1 7 . 1 1 21 21 LYS H H 21 8.531 8.531 8.433 0.098 18951 1429 1 7 . 1 1 22 22 ARG N N 22 119.843 119.843 117.584 2.259 18951 1430 1 7 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.084 0.046 18951 1431 1 7 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.980 -25.590 18951 1432 1 7 . 1 1 22 22 ARG CB C 22 30.103 30.103 30.018 0.085 18951 1433 1 7 . 1 1 22 22 ARG H H 22 7.653 7.653 7.504 0.149 18951 1434 1 7 . 1 1 23 23 VAL N N 23 120.992 120.992 118.915 2.077 18951 1435 1 7 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.768 -0.138 18951 1436 1 7 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.346 -24.455 18951 1437 1 7 . 1 1 23 23 VAL CB C 23 31.663 31.663 32.156 -0.493 18951 1438 1 7 . 1 1 23 23 VAL H H 23 8.443 8.443 7.759 0.684 18951 1439 1 7 . 1 1 24 24 ILE N N 24 121.095 121.095 120.371 0.724 18951 1440 1 7 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.243 -0.087 18951 1441 1 7 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.112 -24.877 18951 1442 1 7 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.292 1.121 18951 1443 1 7 . 1 1 24 24 ILE H H 24 8.618 8.618 7.857 0.761 18951 1444 1 7 . 1 1 25 25 ALA N N 25 122.768 122.768 120.103 2.665 18951 1445 1 7 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.183 -0.011 18951 1446 1 7 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.066 -25.411 18951 1447 1 7 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.677 25.598 18951 1448 1 7 . 1 1 25 25 ALA H H 25 7.795 7.795 7.532 0.263 18951 1449 1 7 . 1 1 26 26 LEU N N 26 117.435 117.435 118.686 -1.251 18951 1450 1 7 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.081 0.129 18951 1451 1 7 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.437 -26.432 18951 1452 1 7 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.283 1.062 18951 1453 1 7 . 1 1 26 26 LEU H H 26 7.489 7.489 7.532 -0.043 18951 1454 1 7 . 1 1 27 27 LYS N N 27 116.796 116.796 115.864 0.932 18951 1455 1 7 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.199 -0.120 18951 1456 1 7 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.796 -27.600 18951 1457 1 7 . 1 1 27 27 LYS CB C 27 32.049 32.049 33.294 -1.245 18951 1458 1 7 . 1 1 27 27 LYS H H 27 8.358 8.358 7.798 0.560 18951 1459 1 7 . 1 1 28 28 LYS N N 28 116.168 116.168 118.510 -2.342 18951 1460 1 7 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.022 0.086 18951 1461 1 7 . 1 1 28 28 LYS CA C 28 30.475 30.475 55.933 -25.458 18951 1462 1 7 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.686 -0.191 18951 1463 1 7 . 1 1 28 28 LYS H H 28 8.544 8.544 7.657 0.887 18951 1464 1 7 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.512 -0.366 18951 1465 1 7 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.476 -25.351 18951 1466 1 7 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.076 0.024 18951 1467 1 7 . 1 1 30 30 SER N N 30 116.657 116.657 114.076 2.581 18951 1468 1 7 . 1 1 30 30 SER HA H 30 4.971 4.971 4.549 0.422 18951 1469 1 7 . 1 1 30 30 SER CA C 30 32.065 32.065 60.170 -28.105 18951 1470 1 7 . 1 1 30 30 SER CB C 30 39.086 39.086 63.821 -24.735 18951 1471 1 7 . 1 1 30 30 SER H H 30 9.003 9.003 8.676 0.327 18951 1472 1 7 . 1 1 31 31 ALA N N 31 118.256 118.256 121.752 -3.496 18951 1473 1 7 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.794 -0.021 18951 1474 1 7 . 1 1 31 31 ALA CA C 31 27.985 27.985 52.359 -24.374 18951 1475 1 7 . 1 1 31 31 ALA CB C 31 45.505 45.505 19.838 25.667 18951 1476 1 7 . 1 1 31 31 ALA H H 31 9.031 9.031 7.867 1.164 18951 1477 1 7 . 1 1 32 32 SER N N 32 117.751 117.751 117.751 0.000 18951 1478 1 7 . 1 1 32 32 SER HA H 32 4.315 4.315 4.777 -0.462 18951 1479 1 7 . 1 1 32 32 SER CA C 32 32.525 32.525 58.059 -25.534 18951 1480 1 7 . 1 1 32 32 SER CB C 32 38.556 38.556 63.989 -25.433 18951 1481 1 7 . 1 1 32 32 SER H H 32 8.737 8.737 8.206 0.531 18951 1482 1 7 . 1 1 33 33 ASP N N 33 124.239 124.239 123.960 0.279 18951 1483 1 7 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.536 -0.126 18951 1484 1 7 . 1 1 33 33 ASP CA C 33 31.926 31.926 56.755 -24.829 18951 1485 1 7 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.614 -1.034 18951 1486 1 7 . 1 1 33 33 ASP H H 33 9.156 9.156 8.871 0.285 18951 1487 1 7 . 1 1 34 34 ALA N N 34 124.661 124.661 122.330 2.331 18951 1488 1 7 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.085 0.067 18951 1489 1 7 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.687 -24.982 18951 1490 1 7 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.544 25.676 18951 1491 1 7 . 1 1 34 34 ALA H H 34 8.716 8.716 7.837 0.879 18951 1492 1 7 . 1 1 35 35 ASP N N 35 121.111 121.111 118.894 2.217 18951 1493 1 7 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.687 -0.325 18951 1494 1 7 . 1 1 35 35 ASP CA C 35 31.085 31.085 57.208 -26.123 18951 1495 1 7 . 1 1 35 35 ASP CB C 35 39.377 39.377 41.282 -1.905 18951 1496 1 7 . 1 1 35 35 ASP H H 35 7.897 7.897 7.550 0.347 18951 1497 1 7 . 1 1 36 36 TRP N N 36 121.306 121.306 121.851 -0.545 18951 1498 1 7 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.430 -0.550 18951 1499 1 7 . 1 1 36 36 TRP CA C 36 35.255 35.255 61.266 -26.011 18951 1500 1 7 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.403 -0.888 18951 1501 1 7 . 1 1 36 36 TRP H H 36 8.061 8.061 8.383 -0.322 18951 1502 1 7 . 1 1 37 37 THR N N 37 122.204 122.204 115.302 6.902 18951 1503 1 7 . 1 1 37 37 THR HA H 37 3.975 3.975 3.959 0.016 18951 1504 1 7 . 1 1 37 37 THR CA C 37 41.605 41.605 66.827 -25.222 18951 1505 1 7 . 1 1 37 37 THR CB C 37 42.055 42.055 68.644 -26.589 18951 1506 1 7 . 1 1 37 37 THR H H 37 8.658 8.658 8.652 0.007 18951 1507 1 7 . 1 1 38 38 GLU N N 38 122.790 122.790 119.059 3.731 18951 1508 1 7 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.202 0.038 18951 1509 1 7 . 1 1 38 38 GLU CA C 38 33.094 33.094 58.882 -25.788 18951 1510 1 7 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.527 -0.752 18951 1511 1 7 . 1 1 38 38 GLU H H 38 7.229 7.229 7.799 -0.570 18951 1512 1 7 . 1 1 39 39 VAL N N 39 118.792 118.792 118.479 0.313 18951 1513 1 7 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.792 -0.505 18951 1514 1 7 . 1 1 39 39 VAL CA C 39 40.331 40.331 65.755 -25.424 18951 1515 1 7 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.761 -0.848 18951 1516 1 7 . 1 1 39 39 VAL H H 39 7.392 7.392 7.776 -0.384 18951 1517 1 7 . 1 1 40 40 LEU N N 40 119.835 119.835 117.835 2.000 18951 1518 1 7 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.314 -0.266 18951 1519 1 7 . 1 1 40 40 LEU CA C 40 32.754 32.754 56.973 -24.219 18951 1520 1 7 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.693 0.457 18951 1521 1 7 . 1 1 40 40 LEU H H 40 8.305 8.305 8.047 0.258 18951 1522 1 7 . 1 1 41 41 ARG N N 41 123.317 123.317 120.173 3.144 18951 1523 1 7 . 1 1 41 41 ARG HA H 41 4.059 4.059 3.886 0.173 18951 1524 1 7 . 1 1 41 41 ARG CA C 41 33.613 33.613 59.852 -26.239 18951 1525 1 7 . 1 1 41 41 ARG CB C 41 30.288 30.288 29.901 0.387 18951 1526 1 7 . 1 1 41 41 ARG H H 41 8.132 8.132 7.492 0.640 18951 1527 1 7 . 1 1 42 42 LEU N N 42 119.831 119.831 118.442 1.389 18951 1528 1 7 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.116 0.007 18951 1529 1 7 . 1 1 42 42 LEU CA C 42 30.690 30.690 57.500 -26.810 18951 1530 1 7 . 1 1 42 42 LEU CB C 42 42.780 42.780 41.946 0.834 18951 1531 1 7 . 1 1 42 42 LEU H H 42 7.627 7.627 8.277 -0.650 18951 1532 1 7 . 1 1 43 43 LEU N N 43 121.439 121.439 118.447 2.992 18951 1533 1 7 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.315 -0.445 18951 1534 1 7 . 1 1 43 43 LEU CA C 43 31.635 31.635 55.083 -23.448 18951 1535 1 7 . 1 1 43 43 LEU CB C 43 43.324 43.324 41.916 1.408 18951 1536 1 7 . 1 1 43 43 LEU H H 43 8.476 8.476 7.760 0.716 18951 1537 1 7 . 1 1 44 44 ALA N N 44 118.277 118.277 122.852 -4.575 18951 1538 1 7 . 1 1 44 44 ALA HA H 44 3.921 3.921 4.003 -0.082 18951 1539 1 7 . 1 1 44 44 ALA CA C 44 26.718 26.718 55.179 -28.462 18951 1540 1 7 . 1 1 44 44 ALA CB C 44 42.811 42.811 18.200 24.611 18951 1541 1 7 . 1 1 44 44 ALA H H 44 7.871 7.871 8.175 -0.304 18951 1542 1 7 . 1 1 45 45 LYS N N 45 122.047 122.047 116.761 5.286 18951 1543 1 7 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.062 0.324 18951 1544 1 7 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.445 -29.610 18951 1545 1 7 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.165 1.927 18951 1546 1 7 . 1 1 45 45 LYS H H 45 8.864 8.864 7.986 0.878 18951 1547 1 7 . 1 1 46 46 GLU N N 46 110.362 110.362 116.643 -6.281 18951 1548 1 7 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.471 -0.571 18951 1549 1 7 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.057 -22.812 18951 1550 1 7 . 1 1 46 46 GLU CB C 46 29.406 29.406 30.359 -0.953 18951 1551 1 7 . 1 1 46 46 GLU H H 46 8.780 8.780 8.121 0.659 18951 1552 1 7 . 1 1 47 47 GLY N N 47 112.932 112.932 109.573 3.359 18951 1553 1 7 . 1 1 47 47 GLY CA C 47 45.100 45.100 46.045 -0.945 18951 1554 1 7 . 1 1 47 47 GLY H H 47 8.877 8.877 8.077 0.800 18951 1555 1 8 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.542 -0.076 18951 1556 1 8 . 1 1 2 2 PRO CA C 2 37.135 37.135 63.612 -26.477 18951 1557 1 8 . 1 1 2 2 PRO CB C 2 32.410 32.410 31.858 0.552 18951 1558 1 8 . 1 1 3 3 LEU N N 3 123.217 123.217 120.365 2.852 18951 1559 1 8 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.285 0.051 18951 1560 1 8 . 1 1 3 3 LEU CA C 3 29.405 29.405 56.212 -26.807 18951 1561 1 8 . 1 1 3 3 LEU CB C 3 42.450 42.450 41.709 0.741 18951 1562 1 8 . 1 1 3 3 LEU H H 3 8.523 8.523 8.026 0.497 18951 1563 1 8 . 1 1 4 4 GLY N N 4 110.431 110.431 106.201 4.230 18951 1564 1 8 . 1 1 4 4 GLY CA C 4 45.314 45.314 44.686 0.628 18951 1565 1 8 . 1 1 4 4 GLY H H 4 8.399 8.399 7.916 0.483 18951 1566 1 8 . 1 1 5 5 SER N N 5 116.309 116.309 117.481 -1.172 18951 1567 1 8 . 1 1 5 5 SER HA H 5 4.460 4.460 4.804 -0.344 18951 1568 1 8 . 1 1 5 5 SER CA C 5 32.148 32.148 57.802 -25.654 18951 1569 1 8 . 1 1 5 5 SER CB C 5 38.011 38.011 64.679 -26.668 18951 1570 1 8 . 1 1 5 5 SER H H 5 8.169 8.169 8.169 0.000 18951 1571 1 8 . 1 1 6 6 VAL N N 6 122.407 122.407 122.137 0.270 18951 1572 1 8 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.275 -0.152 18951 1573 1 8 . 1 1 6 6 VAL CA C 6 36.145 36.145 60.771 -24.626 18951 1574 1 8 . 1 1 6 6 VAL CB C 6 32.794 32.794 32.174 0.620 18951 1575 1 8 . 1 1 6 6 VAL H H 6 8.138 8.138 8.123 0.015 18951 1576 1 8 . 1 1 7 7 ALA N N 7 128.473 128.473 124.172 4.301 18951 1577 1 8 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.363 -0.078 18951 1578 1 8 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.474 -26.099 18951 1579 1 8 . 1 1 7 7 ALA CB C 7 45.395 45.395 18.660 26.735 18951 1580 1 8 . 1 1 7 7 ALA H H 7 8.311 8.311 8.240 0.071 18951 1581 1 8 . 1 1 8 8 LYS N N 8 121.756 121.756 123.627 -1.871 18951 1582 1 8 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.423 -0.166 18951 1583 1 8 . 1 1 8 8 LYS CA C 8 30.073 30.073 56.319 -26.246 18951 1584 1 8 . 1 1 8 8 LYS CB C 8 33.210 33.210 33.793 -0.583 18951 1585 1 8 . 1 1 8 8 LYS H H 8 8.224 8.224 8.494 -0.270 18951 1586 1 8 . 1 1 9 9 LYS N N 9 124.006 124.006 123.259 0.747 18951 1587 1 8 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.501 -0.194 18951 1588 1 8 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.706 -25.635 18951 1589 1 8 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.834 0.431 18951 1590 1 8 . 1 1 9 9 LYS H H 9 8.286 8.286 8.488 -0.202 18951 1591 1 8 . 1 1 10 10 ILE N N 10 125.481 125.481 121.720 3.761 18951 1592 1 8 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.173 -0.065 18951 1593 1 8 . 1 1 10 10 ILE CA C 10 33.853 33.853 59.728 -25.875 18951 1594 1 8 . 1 1 10 10 ILE CB C 10 38.394 38.394 38.453 -0.059 18951 1595 1 8 . 1 1 10 10 ILE H H 10 8.348 8.348 7.887 0.461 18951 1596 1 8 . 1 1 11 11 THR N N 11 122.767 122.767 124.082 -1.315 18951 1597 1 8 . 1 1 11 11 THR HA H 11 4.479 4.479 4.463 0.016 18951 1598 1 8 . 1 1 11 11 THR CA C 11 35.156 35.156 61.679 -26.523 18951 1599 1 8 . 1 1 11 11 THR CB C 11 44.249 44.249 68.441 -24.192 18951 1600 1 8 . 1 1 11 11 THR H H 11 8.492 8.492 8.363 0.129 18951 1601 1 8 . 1 1 12 12 TRP N N 12 127.919 127.919 127.363 0.556 18951 1602 1 8 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.512 -0.080 18951 1603 1 8 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.276 -26.570 18951 1604 1 8 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.791 -1.461 18951 1605 1 8 . 1 1 12 12 TRP H H 12 9.037 9.037 8.245 0.792 18951 1606 1 8 . 1 1 13 13 ARG N N 13 125.359 125.359 124.082 1.277 18951 1607 1 8 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.601 0.033 18951 1608 1 8 . 1 1 13 13 ARG CA C 13 28.685 28.685 55.062 -26.377 18951 1609 1 8 . 1 1 13 13 ARG CB C 13 32.066 32.066 31.742 0.324 18951 1610 1 8 . 1 1 13 13 ARG H H 13 9.039 9.039 8.451 0.588 18951 1611 1 8 . 1 1 14 14 LYS N N 14 126.125 126.125 123.870 2.255 18951 1612 1 8 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.952 0.056 18951 1613 1 8 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.689 -24.814 18951 1614 1 8 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.278 -0.164 18951 1615 1 8 . 1 1 14 14 LYS H H 14 9.251 9.251 8.899 0.352 18951 1616 1 8 . 1 1 15 15 GLN N N 15 115.429 115.429 117.540 -2.111 18951 1617 1 8 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.178 0.076 18951 1618 1 8 . 1 1 15 15 GLN CA C 15 33.152 33.152 59.154 -26.003 18951 1619 1 8 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.195 -0.002 18951 1620 1 8 . 1 1 15 15 GLN H H 15 9.132 9.132 8.555 0.577 18951 1621 1 8 . 1 1 16 16 ASP N N 16 119.626 119.626 119.908 -0.282 18951 1622 1 8 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.489 0.101 18951 1623 1 8 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.126 -26.021 18951 1624 1 8 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.488 2.448 18951 1625 1 8 . 1 1 16 16 ASP H H 16 7.315 7.315 8.271 -0.956 18951 1626 1 8 . 1 1 17 17 LEU N N 17 121.081 121.081 119.298 1.783 18951 1627 1 8 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.133 0.022 18951 1628 1 8 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.785 -25.933 18951 1629 1 8 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.162 0.038 18951 1630 1 8 . 1 1 17 17 LEU H H 17 7.864 7.864 8.085 -0.221 18951 1631 1 8 . 1 1 18 18 ASP N N 18 120.789 120.789 118.896 1.893 18951 1632 1 8 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.346 0.066 18951 1633 1 8 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.801 -26.245 18951 1634 1 8 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.715 -0.223 18951 1635 1 8 . 1 1 18 18 ASP H H 18 8.684 8.684 7.565 1.119 18951 1636 1 8 . 1 1 19 19 ARG N N 19 121.558 121.558 119.292 2.266 18951 1637 1 8 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.114 -0.069 18951 1638 1 8 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.877 -25.216 18951 1639 1 8 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.184 -0.035 18951 1640 1 8 . 1 1 19 19 ARG H H 19 7.759 7.759 7.634 0.125 18951 1641 1 8 . 1 1 20 20 LEU N N 20 120.844 120.844 118.807 2.037 18951 1642 1 8 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.091 -0.083 18951 1643 1 8 . 1 1 20 20 LEU CA C 20 32.109 32.109 58.054 -25.945 18951 1644 1 8 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.956 -0.756 18951 1645 1 8 . 1 1 20 20 LEU H H 20 8.459 8.459 7.818 0.641 18951 1646 1 8 . 1 1 21 21 LYS N N 21 119.771 119.771 118.984 0.787 18951 1647 1 8 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.992 -0.142 18951 1648 1 8 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.703 -25.369 18951 1649 1 8 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.241 0.745 18951 1650 1 8 . 1 1 21 21 LYS H H 21 8.531 8.531 7.428 1.103 18951 1651 1 8 . 1 1 22 22 ARG N N 22 119.843 119.843 118.763 1.080 18951 1652 1 8 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.083 0.047 18951 1653 1 8 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.947 -25.557 18951 1654 1 8 . 1 1 22 22 ARG CB C 22 30.103 30.103 29.429 0.674 18951 1655 1 8 . 1 1 22 22 ARG H H 22 7.653 7.653 7.617 0.036 18951 1656 1 8 . 1 1 23 23 VAL N N 23 120.992 120.992 119.234 1.758 18951 1657 1 8 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.811 -0.181 18951 1658 1 8 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.765 -24.874 18951 1659 1 8 . 1 1 23 23 VAL CB C 23 31.663 31.663 31.615 0.048 18951 1660 1 8 . 1 1 23 23 VAL H H 23 8.443 8.443 7.454 0.989 18951 1661 1 8 . 1 1 24 24 ILE N N 24 121.095 121.095 120.392 0.703 18951 1662 1 8 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.342 -0.186 18951 1663 1 8 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.252 -25.017 18951 1664 1 8 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.022 1.391 18951 1665 1 8 . 1 1 24 24 ILE H H 24 8.618 8.618 7.457 1.161 18951 1666 1 8 . 1 1 25 25 ALA N N 25 122.768 122.768 120.820 1.948 18951 1667 1 8 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.122 0.050 18951 1668 1 8 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.785 -26.130 18951 1669 1 8 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.566 25.709 18951 1670 1 8 . 1 1 25 25 ALA H H 25 7.795 7.795 7.747 0.048 18951 1671 1 8 . 1 1 26 26 LEU N N 26 117.435 117.435 118.437 -1.002 18951 1672 1 8 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.164 0.046 18951 1673 1 8 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.596 -26.591 18951 1674 1 8 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.304 1.041 18951 1675 1 8 . 1 1 26 26 LEU H H 26 7.489 7.489 7.681 -0.192 18951 1676 1 8 . 1 1 27 27 LYS N N 27 116.796 116.796 117.529 -0.733 18951 1677 1 8 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.107 -0.028 18951 1678 1 8 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.842 -27.646 18951 1679 1 8 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.830 -0.781 18951 1680 1 8 . 1 1 27 27 LYS H H 27 8.358 8.358 8.239 0.119 18951 1681 1 8 . 1 1 28 28 LYS N N 28 116.168 116.168 118.398 -2.230 18951 1682 1 8 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.120 -0.012 18951 1683 1 8 . 1 1 28 28 LYS CA C 28 30.475 30.475 55.997 -25.522 18951 1684 1 8 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.413 0.082 18951 1685 1 8 . 1 1 28 28 LYS H H 28 8.544 8.544 7.513 1.031 18951 1686 1 8 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.309 -0.163 18951 1687 1 8 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.631 -25.506 18951 1688 1 8 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.145 -0.045 18951 1689 1 8 . 1 1 30 30 SER N N 30 116.657 116.657 114.738 1.919 18951 1690 1 8 . 1 1 30 30 SER HA H 30 4.971 4.971 4.625 0.346 18951 1691 1 8 . 1 1 30 30 SER CA C 30 32.065 32.065 57.886 -25.821 18951 1692 1 8 . 1 1 30 30 SER CB C 30 39.086 39.086 63.424 -24.338 18951 1693 1 8 . 1 1 30 30 SER H H 30 9.003 9.003 8.151 0.852 18951 1694 1 8 . 1 1 31 31 ALA N N 31 118.256 118.256 123.979 -5.723 18951 1695 1 8 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.711 0.062 18951 1696 1 8 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.469 -25.484 18951 1697 1 8 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.125 27.380 18951 1698 1 8 . 1 1 31 31 ALA H H 31 9.031 9.031 8.521 0.510 18951 1699 1 8 . 1 1 32 32 SER N N 32 117.751 117.751 114.829 2.922 18951 1700 1 8 . 1 1 32 32 SER HA H 32 4.315 4.315 4.688 -0.373 18951 1701 1 8 . 1 1 32 32 SER CA C 32 32.525 32.525 57.866 -25.341 18951 1702 1 8 . 1 1 32 32 SER CB C 32 38.556 38.556 65.180 -26.624 18951 1703 1 8 . 1 1 32 32 SER H H 32 8.737 8.737 8.388 0.349 18951 1704 1 8 . 1 1 33 33 ASP N N 33 124.239 124.239 125.152 -0.913 18951 1705 1 8 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.483 -0.073 18951 1706 1 8 . 1 1 33 33 ASP CA C 33 31.926 31.926 56.936 -25.010 18951 1707 1 8 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.610 -1.030 18951 1708 1 8 . 1 1 33 33 ASP H H 33 9.156 9.156 8.813 0.343 18951 1709 1 8 . 1 1 34 34 ALA N N 34 124.661 124.661 121.474 3.187 18951 1710 1 8 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.102 0.050 18951 1711 1 8 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.907 -25.202 18951 1712 1 8 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.341 25.879 18951 1713 1 8 . 1 1 34 34 ALA H H 34 8.716 8.716 8.135 0.581 18951 1714 1 8 . 1 1 35 35 ASP N N 35 121.111 121.111 119.595 1.516 18951 1715 1 8 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.427 -0.065 18951 1716 1 8 . 1 1 35 35 ASP CA C 35 31.085 31.085 56.994 -25.909 18951 1717 1 8 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.492 -1.115 18951 1718 1 8 . 1 1 35 35 ASP H H 35 7.897 7.897 7.760 0.137 18951 1719 1 8 . 1 1 36 36 TRP N N 36 121.306 121.306 119.839 1.467 18951 1720 1 8 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.475 -0.595 18951 1721 1 8 . 1 1 36 36 TRP CA C 36 35.255 35.255 60.512 -25.257 18951 1722 1 8 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.146 -0.631 18951 1723 1 8 . 1 1 36 36 TRP H H 36 8.061 8.061 8.551 -0.490 18951 1724 1 8 . 1 1 37 37 THR N N 37 122.204 122.204 115.292 6.912 18951 1725 1 8 . 1 1 37 37 THR HA H 37 3.975 3.975 3.919 0.056 18951 1726 1 8 . 1 1 37 37 THR CA C 37 41.605 41.605 67.356 -25.750 18951 1727 1 8 . 1 1 37 37 THR CB C 37 42.055 42.055 68.337 -26.282 18951 1728 1 8 . 1 1 37 37 THR H H 37 8.658 8.658 7.576 1.082 18951 1729 1 8 . 1 1 38 38 GLU N N 38 122.790 122.790 120.134 2.656 18951 1730 1 8 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.169 0.071 18951 1731 1 8 . 1 1 38 38 GLU CA C 38 33.094 33.094 58.997 -25.903 18951 1732 1 8 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.776 -1.001 18951 1733 1 8 . 1 1 38 38 GLU H H 38 7.229 7.229 7.540 -0.311 18951 1734 1 8 . 1 1 39 39 VAL N N 39 118.792 118.792 118.831 -0.039 18951 1735 1 8 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.707 -0.420 18951 1736 1 8 . 1 1 39 39 VAL CA C 39 40.331 40.331 65.706 -25.375 18951 1737 1 8 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.268 -0.355 18951 1738 1 8 . 1 1 39 39 VAL H H 39 7.392 7.392 7.405 -0.013 18951 1739 1 8 . 1 1 40 40 LEU N N 40 119.835 119.835 117.647 2.188 18951 1740 1 8 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.451 -0.403 18951 1741 1 8 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.490 -24.736 18951 1742 1 8 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.680 0.470 18951 1743 1 8 . 1 1 40 40 LEU H H 40 8.305 8.305 8.604 -0.299 18951 1744 1 8 . 1 1 41 41 ARG N N 41 123.317 123.317 119.820 3.497 18951 1745 1 8 . 1 1 41 41 ARG HA H 41 4.059 4.059 4.070 -0.011 18951 1746 1 8 . 1 1 41 41 ARG CA C 41 33.613 33.613 58.713 -25.100 18951 1747 1 8 . 1 1 41 41 ARG CB C 41 30.288 30.288 29.641 0.647 18951 1748 1 8 . 1 1 41 41 ARG H H 41 8.132 8.132 7.699 0.433 18951 1749 1 8 . 1 1 42 42 LEU N N 42 119.831 119.831 119.730 0.101 18951 1750 1 8 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.190 -0.067 18951 1751 1 8 . 1 1 42 42 LEU CA C 42 30.690 30.690 58.093 -27.402 18951 1752 1 8 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.198 0.582 18951 1753 1 8 . 1 1 42 42 LEU H H 42 7.627 7.627 7.656 -0.029 18951 1754 1 8 . 1 1 43 43 LEU N N 43 121.439 121.439 119.401 2.038 18951 1755 1 8 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.128 -0.258 18951 1756 1 8 . 1 1 43 43 LEU CA C 43 31.635 31.635 55.299 -23.664 18951 1757 1 8 . 1 1 43 43 LEU CB C 43 43.324 43.324 40.495 2.829 18951 1758 1 8 . 1 1 43 43 LEU H H 43 8.476 8.476 7.739 0.737 18951 1759 1 8 . 1 1 44 44 ALA N N 44 118.277 118.277 122.631 -4.354 18951 1760 1 8 . 1 1 44 44 ALA HA H 44 3.921 3.921 3.956 -0.035 18951 1761 1 8 . 1 1 44 44 ALA CA C 44 26.718 26.718 54.780 -28.062 18951 1762 1 8 . 1 1 44 44 ALA CB C 44 42.811 42.811 18.055 24.756 18951 1763 1 8 . 1 1 44 44 ALA H H 44 7.871 7.871 8.192 -0.321 18951 1764 1 8 . 1 1 45 45 LYS N N 45 122.047 122.047 118.628 3.419 18951 1765 1 8 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.068 0.318 18951 1766 1 8 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.617 -29.782 18951 1767 1 8 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.171 1.921 18951 1768 1 8 . 1 1 45 45 LYS H H 45 8.864 8.864 7.613 1.251 18951 1769 1 8 . 1 1 46 46 GLU N N 46 110.362 110.362 117.811 -7.449 18951 1770 1 8 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.422 -0.522 18951 1771 1 8 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.432 -23.187 18951 1772 1 8 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.088 0.318 18951 1773 1 8 . 1 1 46 46 GLU H H 46 8.780 8.780 7.781 0.999 18951 1774 1 8 . 1 1 47 47 GLY N N 47 112.932 112.932 109.632 3.300 18951 1775 1 8 . 1 1 47 47 GLY CA C 47 45.100 45.100 45.855 -0.755 18951 1776 1 8 . 1 1 47 47 GLY H H 47 8.877 8.877 8.039 0.838 18951 1777 1 9 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.513 -0.047 18951 1778 1 9 . 1 1 2 2 PRO CA C 2 37.135 37.135 62.348 -25.213 18951 1779 1 9 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.654 -0.244 18951 1780 1 9 . 1 1 3 3 LEU N N 3 123.217 123.217 115.908 7.309 18951 1781 1 9 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.017 0.319 18951 1782 1 9 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.647 -25.242 18951 1783 1 9 . 1 1 3 3 LEU CB C 3 42.450 42.450 40.291 2.159 18951 1784 1 9 . 1 1 3 3 LEU H H 3 8.523 8.523 8.240 0.283 18951 1785 1 9 . 1 1 4 4 GLY N N 4 110.431 110.431 107.343 3.088 18951 1786 1 9 . 1 1 4 4 GLY CA C 4 45.314 45.314 45.023 0.291 18951 1787 1 9 . 1 1 4 4 GLY H H 4 8.399 8.399 8.103 0.296 18951 1788 1 9 . 1 1 5 5 SER N N 5 116.309 116.309 116.876 -0.567 18951 1789 1 9 . 1 1 5 5 SER HA H 5 4.460 4.460 4.226 0.234 18951 1790 1 9 . 1 1 5 5 SER CA C 5 32.148 32.148 59.108 -26.960 18951 1791 1 9 . 1 1 5 5 SER CB C 5 38.011 38.011 63.894 -25.883 18951 1792 1 9 . 1 1 5 5 SER H H 5 8.169 8.169 8.263 -0.094 18951 1793 1 9 . 1 1 6 6 VAL N N 6 122.407 122.407 120.292 2.115 18951 1794 1 9 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.268 -0.145 18951 1795 1 9 . 1 1 6 6 VAL CA C 6 36.145 36.145 61.453 -25.308 18951 1796 1 9 . 1 1 6 6 VAL CB C 6 32.794 32.794 33.436 -0.642 18951 1797 1 9 . 1 1 6 6 VAL H H 6 8.138 8.138 8.163 -0.025 18951 1798 1 9 . 1 1 7 7 ALA N N 7 128.473 128.473 129.101 -0.628 18951 1799 1 9 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.374 -0.089 18951 1800 1 9 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.876 -26.501 18951 1801 1 9 . 1 1 7 7 ALA CB C 7 45.395 45.395 18.888 26.507 18951 1802 1 9 . 1 1 7 7 ALA H H 7 8.311 8.311 8.122 0.189 18951 1803 1 9 . 1 1 8 8 LYS N N 8 121.756 121.756 122.519 -0.763 18951 1804 1 9 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.821 -0.564 18951 1805 1 9 . 1 1 8 8 LYS CA C 8 30.073 30.073 55.264 -25.191 18951 1806 1 9 . 1 1 8 8 LYS CB C 8 33.210 33.210 35.337 -2.127 18951 1807 1 9 . 1 1 8 8 LYS H H 8 8.224 8.224 8.291 -0.067 18951 1808 1 9 . 1 1 9 9 LYS N N 9 124.006 124.006 121.938 2.068 18951 1809 1 9 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.471 -0.164 18951 1810 1 9 . 1 1 9 9 LYS CA C 9 30.071 30.071 56.178 -26.107 18951 1811 1 9 . 1 1 9 9 LYS CB C 9 33.265 33.265 33.119 0.146 18951 1812 1 9 . 1 1 9 9 LYS H H 9 8.286 8.286 8.431 -0.145 18951 1813 1 9 . 1 1 10 10 ILE N N 10 125.481 125.481 119.902 5.579 18951 1814 1 9 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.231 -0.123 18951 1815 1 9 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.766 -26.913 18951 1816 1 9 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.861 -1.467 18951 1817 1 9 . 1 1 10 10 ILE H H 10 8.348 8.348 7.660 0.688 18951 1818 1 9 . 1 1 11 11 THR N N 11 122.767 122.767 124.023 -1.256 18951 1819 1 9 . 1 1 11 11 THR HA H 11 4.479 4.479 4.432 0.047 18951 1820 1 9 . 1 1 11 11 THR CA C 11 35.156 35.156 62.120 -26.964 18951 1821 1 9 . 1 1 11 11 THR CB C 11 44.249 44.249 69.129 -24.880 18951 1822 1 9 . 1 1 11 11 THR H H 11 8.492 8.492 8.322 0.170 18951 1823 1 9 . 1 1 12 12 TRP N N 12 127.919 127.919 128.314 -0.395 18951 1824 1 9 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.553 -0.121 18951 1825 1 9 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.554 -26.849 18951 1826 1 9 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.245 -0.915 18951 1827 1 9 . 1 1 12 12 TRP H H 12 9.037 9.037 8.617 0.420 18951 1828 1 9 . 1 1 13 13 ARG N N 13 125.359 125.359 124.300 1.059 18951 1829 1 9 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.643 -0.009 18951 1830 1 9 . 1 1 13 13 ARG CA C 13 28.685 28.685 54.999 -26.314 18951 1831 1 9 . 1 1 13 13 ARG CB C 13 32.066 32.066 32.303 -0.237 18951 1832 1 9 . 1 1 13 13 ARG H H 13 9.039 9.039 8.348 0.691 18951 1833 1 9 . 1 1 14 14 LYS N N 14 126.125 126.125 120.457 5.668 18951 1834 1 9 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.984 0.024 18951 1835 1 9 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.813 -24.938 18951 1836 1 9 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.065 0.049 18951 1837 1 9 . 1 1 14 14 LYS H H 14 9.251 9.251 8.731 0.520 18951 1838 1 9 . 1 1 15 15 GLN N N 15 115.429 115.429 119.843 -4.414 18951 1839 1 9 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.102 0.152 18951 1840 1 9 . 1 1 15 15 GLN CA C 15 33.152 33.152 59.096 -25.944 18951 1841 1 9 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.017 0.176 18951 1842 1 9 . 1 1 15 15 GLN H H 15 9.132 9.132 8.319 0.813 18951 1843 1 9 . 1 1 16 16 ASP N N 16 119.626 119.626 119.877 -0.251 18951 1844 1 9 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.431 0.159 18951 1845 1 9 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.214 -26.109 18951 1846 1 9 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.470 2.466 18951 1847 1 9 . 1 1 16 16 ASP H H 16 7.315 7.315 8.406 -1.091 18951 1848 1 9 . 1 1 17 17 LEU N N 17 121.081 121.081 120.954 0.127 18951 1849 1 9 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.093 0.062 18951 1850 1 9 . 1 1 17 17 LEU CA C 17 31.852 31.852 58.472 -26.620 18951 1851 1 9 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.949 -0.749 18951 1852 1 9 . 1 1 17 17 LEU H H 17 7.864 7.864 8.196 -0.332 18951 1853 1 9 . 1 1 18 18 ASP N N 18 120.789 120.789 118.513 2.276 18951 1854 1 9 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.323 0.089 18951 1855 1 9 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.391 -25.835 18951 1856 1 9 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.889 -0.397 18951 1857 1 9 . 1 1 18 18 ASP H H 18 8.684 8.684 8.068 0.616 18951 1858 1 9 . 1 1 19 19 ARG N N 19 121.558 121.558 119.430 2.128 18951 1859 1 9 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.124 -0.079 18951 1860 1 9 . 1 1 19 19 ARG CA C 19 33.661 33.661 59.054 -25.393 18951 1861 1 9 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.438 -0.288 18951 1862 1 9 . 1 1 19 19 ARG H H 19 7.759 7.759 7.454 0.305 18951 1863 1 9 . 1 1 20 20 LEU N N 20 120.844 120.844 120.855 -0.011 18951 1864 1 9 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.085 -0.077 18951 1865 1 9 . 1 1 20 20 LEU CA C 20 32.109 32.109 58.157 -26.048 18951 1866 1 9 . 1 1 20 20 LEU CB C 20 41.200 41.200 42.025 -0.825 18951 1867 1 9 . 1 1 20 20 LEU H H 20 8.459 8.459 8.431 0.028 18951 1868 1 9 . 1 1 21 21 LYS N N 21 119.771 119.771 117.831 1.940 18951 1869 1 9 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.976 -0.126 18951 1870 1 9 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.269 -24.934 18951 1871 1 9 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.262 0.724 18951 1872 1 9 . 1 1 21 21 LYS H H 21 8.531 8.531 8.302 0.230 18951 1873 1 9 . 1 1 22 22 ARG N N 22 119.843 119.843 118.897 0.946 18951 1874 1 9 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.159 -0.029 18951 1875 1 9 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.586 -25.196 18951 1876 1 9 . 1 1 22 22 ARG CB C 22 30.103 30.103 30.585 -0.482 18951 1877 1 9 . 1 1 22 22 ARG H H 22 7.653 7.653 7.789 -0.136 18951 1878 1 9 . 1 1 23 23 VAL N N 23 120.992 120.992 120.953 0.039 18951 1879 1 9 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.598 0.032 18951 1880 1 9 . 1 1 23 23 VAL CA C 23 40.891 40.891 66.605 -25.714 18951 1881 1 9 . 1 1 23 23 VAL CB C 23 31.663 31.663 31.795 -0.132 18951 1882 1 9 . 1 1 23 23 VAL H H 23 8.443 8.443 7.670 0.773 18951 1883 1 9 . 1 1 24 24 ILE N N 24 121.095 121.095 118.793 2.302 18951 1884 1 9 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.384 -0.228 18951 1885 1 9 . 1 1 24 24 ILE CA C 24 40.235 40.235 64.823 -24.588 18951 1886 1 9 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.089 1.324 18951 1887 1 9 . 1 1 24 24 ILE H H 24 8.618 8.618 7.764 0.854 18951 1888 1 9 . 1 1 25 25 ALA N N 25 122.768 122.768 120.544 2.224 18951 1889 1 9 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.159 0.013 18951 1890 1 9 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.437 -25.782 18951 1891 1 9 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.461 25.814 18951 1892 1 9 . 1 1 25 25 ALA H H 25 7.795 7.795 7.554 0.241 18951 1893 1 9 . 1 1 26 26 LEU N N 26 117.435 117.435 118.393 -0.958 18951 1894 1 9 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.195 0.015 18951 1895 1 9 . 1 1 26 26 LEU CA C 26 31.005 31.005 56.927 -25.922 18951 1896 1 9 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.379 0.966 18951 1897 1 9 . 1 1 26 26 LEU H H 26 7.489 7.489 7.576 -0.087 18951 1898 1 9 . 1 1 27 27 LYS N N 27 116.796 116.796 117.365 -0.569 18951 1899 1 9 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.127 -0.048 18951 1900 1 9 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.712 -27.516 18951 1901 1 9 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.875 -0.826 18951 1902 1 9 . 1 1 27 27 LYS H H 27 8.358 8.358 8.288 0.070 18951 1903 1 9 . 1 1 28 28 LYS N N 28 116.168 116.168 117.433 -1.265 18951 1904 1 9 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.121 -0.013 18951 1905 1 9 . 1 1 28 28 LYS CA C 28 30.475 30.475 55.967 -25.492 18951 1906 1 9 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.818 -0.323 18951 1907 1 9 . 1 1 28 28 LYS H H 28 8.544 8.544 7.451 1.093 18951 1908 1 9 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.547 -0.401 18951 1909 1 9 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.326 -25.201 18951 1910 1 9 . 1 1 29 29 PRO CB C 29 32.100 32.100 31.883 0.217 18951 1911 1 9 . 1 1 30 30 SER N N 30 116.657 116.657 114.945 1.712 18951 1912 1 9 . 1 1 30 30 SER HA H 30 4.971 4.971 4.621 0.350 18951 1913 1 9 . 1 1 30 30 SER CA C 30 32.065 32.065 57.972 -25.907 18951 1914 1 9 . 1 1 30 30 SER CB C 30 39.086 39.086 63.471 -24.385 18951 1915 1 9 . 1 1 30 30 SER H H 30 9.003 9.003 8.251 0.752 18951 1916 1 9 . 1 1 31 31 ALA N N 31 118.256 118.256 124.135 -5.879 18951 1917 1 9 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.601 0.172 18951 1918 1 9 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.368 -25.383 18951 1919 1 9 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.761 26.744 18951 1920 1 9 . 1 1 31 31 ALA H H 31 9.031 9.031 8.230 0.801 18951 1921 1 9 . 1 1 32 32 SER N N 32 117.751 117.751 116.126 1.625 18951 1922 1 9 . 1 1 32 32 SER HA H 32 4.315 4.315 4.626 -0.311 18951 1923 1 9 . 1 1 32 32 SER CA C 32 32.525 32.525 58.001 -25.476 18951 1924 1 9 . 1 1 32 32 SER CB C 32 38.556 38.556 65.480 -26.924 18951 1925 1 9 . 1 1 32 32 SER H H 32 8.737 8.737 8.077 0.660 18951 1926 1 9 . 1 1 33 33 ASP N N 33 124.239 124.239 125.738 -1.499 18951 1927 1 9 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.504 -0.094 18951 1928 1 9 . 1 1 33 33 ASP CA C 33 31.926 31.926 57.365 -25.439 18951 1929 1 9 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.777 -1.197 18951 1930 1 9 . 1 1 33 33 ASP H H 33 9.156 9.156 9.189 -0.033 18951 1931 1 9 . 1 1 34 34 ALA N N 34 124.661 124.661 122.889 1.772 18951 1932 1 9 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.123 0.029 18951 1933 1 9 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.901 -25.196 18951 1934 1 9 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.448 25.772 18951 1935 1 9 . 1 1 34 34 ALA H H 34 8.716 8.716 8.179 0.537 18951 1936 1 9 . 1 1 35 35 ASP N N 35 121.111 121.111 120.334 0.777 18951 1937 1 9 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.439 -0.077 18951 1938 1 9 . 1 1 35 35 ASP CA C 35 31.085 31.085 56.946 -25.860 18951 1939 1 9 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.653 -1.276 18951 1940 1 9 . 1 1 35 35 ASP H H 35 7.897 7.897 7.800 0.097 18951 1941 1 9 . 1 1 36 36 TRP N N 36 121.306 121.306 119.643 1.663 18951 1942 1 9 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.470 -0.590 18951 1943 1 9 . 1 1 36 36 TRP CA C 36 35.255 35.255 59.845 -24.590 18951 1944 1 9 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.412 -0.897 18951 1945 1 9 . 1 1 36 36 TRP H H 36 8.061 8.061 8.531 -0.470 18951 1946 1 9 . 1 1 37 37 THR N N 37 122.204 122.204 114.570 7.634 18951 1947 1 9 . 1 1 37 37 THR HA H 37 3.975 3.975 3.993 -0.018 18951 1948 1 9 . 1 1 37 37 THR CA C 37 41.605 41.605 66.626 -25.021 18951 1949 1 9 . 1 1 37 37 THR CB C 37 42.055 42.055 68.193 -26.138 18951 1950 1 9 . 1 1 37 37 THR H H 37 8.658 8.658 7.567 1.091 18951 1951 1 9 . 1 1 38 38 GLU N N 38 122.790 122.790 120.096 2.694 18951 1952 1 9 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.300 -0.060 18951 1953 1 9 . 1 1 38 38 GLU CA C 38 33.094 33.094 58.718 -25.624 18951 1954 1 9 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.737 -0.962 18951 1955 1 9 . 1 1 38 38 GLU H H 38 7.229 7.229 7.529 -0.300 18951 1956 1 9 . 1 1 39 39 VAL N N 39 118.792 118.792 118.932 -0.140 18951 1957 1 9 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.723 -0.436 18951 1958 1 9 . 1 1 39 39 VAL CA C 39 40.331 40.331 65.745 -25.414 18951 1959 1 9 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.250 -0.337 18951 1960 1 9 . 1 1 39 39 VAL H H 39 7.392 7.392 7.431 -0.039 18951 1961 1 9 . 1 1 40 40 LEU N N 40 119.835 119.835 117.529 2.306 18951 1962 1 9 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.455 -0.407 18951 1963 1 9 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.310 -24.556 18951 1964 1 9 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.764 0.387 18951 1965 1 9 . 1 1 40 40 LEU H H 40 8.305 8.305 8.578 -0.273 18951 1966 1 9 . 1 1 41 41 ARG N N 41 123.317 123.317 119.685 3.632 18951 1967 1 9 . 1 1 41 41 ARG HA H 41 4.059 4.059 3.993 0.066 18951 1968 1 9 . 1 1 41 41 ARG CA C 41 33.613 33.613 59.351 -25.738 18951 1969 1 9 . 1 1 41 41 ARG CB C 41 30.288 30.288 30.143 0.145 18951 1970 1 9 . 1 1 41 41 ARG H H 41 8.132 8.132 7.737 0.395 18951 1971 1 9 . 1 1 42 42 LEU N N 42 119.831 119.831 117.055 2.776 18951 1972 1 9 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.297 -0.174 18951 1973 1 9 . 1 1 42 42 LEU CA C 42 30.690 30.690 57.007 -26.317 18951 1974 1 9 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.429 0.351 18951 1975 1 9 . 1 1 42 42 LEU H H 42 7.627 7.627 7.613 0.014 18951 1976 1 9 . 1 1 43 43 LEU N N 43 121.439 121.439 119.872 1.567 18951 1977 1 9 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.181 -0.311 18951 1978 1 9 . 1 1 43 43 LEU CA C 43 31.635 31.635 55.440 -23.805 18951 1979 1 9 . 1 1 43 43 LEU CB C 43 43.324 43.324 40.828 2.496 18951 1980 1 9 . 1 1 43 43 LEU H H 43 8.476 8.476 7.508 0.968 18951 1981 1 9 . 1 1 44 44 ALA N N 44 118.277 118.277 120.577 -2.300 18951 1982 1 9 . 1 1 44 44 ALA HA H 44 3.921 3.921 4.259 -0.338 18951 1983 1 9 . 1 1 44 44 ALA CA C 44 26.718 26.718 52.568 -25.850 18951 1984 1 9 . 1 1 44 44 ALA CB C 44 42.811 42.811 17.559 25.252 18951 1985 1 9 . 1 1 44 44 ALA H H 44 7.871 7.871 7.965 -0.094 18951 1986 1 9 . 1 1 45 45 LYS N N 45 122.047 122.047 120.185 1.862 18951 1987 1 9 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.104 0.282 18951 1988 1 9 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.467 -29.632 18951 1989 1 9 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.591 1.501 18951 1990 1 9 . 1 1 45 45 LYS H H 45 8.864 8.864 7.928 0.936 18951 1991 1 9 . 1 1 46 46 GLU N N 46 110.362 110.362 116.898 -6.536 18951 1992 1 9 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.451 -0.551 18951 1993 1 9 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.306 -23.061 18951 1994 1 9 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.008 0.398 18951 1995 1 9 . 1 1 46 46 GLU H H 46 8.780 8.780 7.763 1.017 18951 1996 1 9 . 1 1 47 47 GLY N N 47 112.932 112.932 109.963 2.969 18951 1997 1 9 . 1 1 47 47 GLY CA C 47 45.100 45.100 45.581 -0.481 18951 1998 1 9 . 1 1 47 47 GLY H H 47 8.877 8.877 7.739 1.138 18951 1999 1 10 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.441 0.025 18951 2000 1 10 . 1 1 2 2 PRO CA C 2 37.135 37.135 63.536 -26.401 18951 2001 1 10 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.432 -0.022 18951 2002 1 10 . 1 1 3 3 LEU N N 3 123.217 123.217 120.050 3.167 18951 2003 1 10 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.594 -0.258 18951 2004 1 10 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.963 -25.558 18951 2005 1 10 . 1 1 3 3 LEU CB C 3 42.450 42.450 42.982 -0.532 18951 2006 1 10 . 1 1 3 3 LEU H H 3 8.523 8.523 7.617 0.906 18951 2007 1 10 . 1 1 4 4 GLY N N 4 110.431 110.431 112.337 -1.906 18951 2008 1 10 . 1 1 4 4 GLY CA C 4 45.314 45.314 45.423 -0.109 18951 2009 1 10 . 1 1 4 4 GLY H H 4 8.399 8.399 8.586 -0.187 18951 2010 1 10 . 1 1 5 5 SER N N 5 116.309 116.309 116.172 0.137 18951 2011 1 10 . 1 1 5 5 SER HA H 5 4.460 4.460 4.793 -0.333 18951 2012 1 10 . 1 1 5 5 SER CA C 5 32.148 32.148 57.966 -25.818 18951 2013 1 10 . 1 1 5 5 SER CB C 5 38.011 38.011 64.076 -26.065 18951 2014 1 10 . 1 1 5 5 SER H H 5 8.169 8.169 8.045 0.124 18951 2015 1 10 . 1 1 6 6 VAL N N 6 122.407 122.407 116.722 5.685 18951 2016 1 10 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.360 -0.237 18951 2017 1 10 . 1 1 6 6 VAL CA C 6 36.145 36.145 61.504 -25.359 18951 2018 1 10 . 1 1 6 6 VAL CB C 6 32.794 32.794 34.932 -2.138 18951 2019 1 10 . 1 1 6 6 VAL H H 6 8.138 8.138 8.183 -0.045 18951 2020 1 10 . 1 1 7 7 ALA N N 7 128.473 128.473 126.167 2.306 18951 2021 1 10 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.228 0.057 18951 2022 1 10 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.944 -26.569 18951 2023 1 10 . 1 1 7 7 ALA CB C 7 45.395 45.395 18.584 26.811 18951 2024 1 10 . 1 1 7 7 ALA H H 7 8.311 8.311 8.325 -0.014 18951 2025 1 10 . 1 1 8 8 LYS N N 8 121.756 121.756 123.920 -2.164 18951 2026 1 10 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.409 -0.152 18951 2027 1 10 . 1 1 8 8 LYS CA C 8 30.073 30.073 56.397 -26.324 18951 2028 1 10 . 1 1 8 8 LYS CB C 8 33.210 33.210 33.586 -0.376 18951 2029 1 10 . 1 1 8 8 LYS H H 8 8.224 8.224 8.354 -0.130 18951 2030 1 10 . 1 1 9 9 LYS N N 9 124.006 124.006 124.529 -0.523 18951 2031 1 10 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.508 -0.201 18951 2032 1 10 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.706 -25.634 18951 2033 1 10 . 1 1 9 9 LYS CB C 9 33.265 33.265 33.922 -0.657 18951 2034 1 10 . 1 1 9 9 LYS H H 9 8.286 8.286 8.359 -0.073 18951 2035 1 10 . 1 1 10 10 ILE N N 10 125.481 125.481 123.813 1.668 18951 2036 1 10 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.187 -0.079 18951 2037 1 10 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.730 -26.877 18951 2038 1 10 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.053 -0.659 18951 2039 1 10 . 1 1 10 10 ILE H H 10 8.348 8.348 8.403 -0.055 18951 2040 1 10 . 1 1 11 11 THR N N 11 122.767 122.767 122.472 0.295 18951 2041 1 10 . 1 1 11 11 THR HA H 11 4.479 4.479 4.546 -0.067 18951 2042 1 10 . 1 1 11 11 THR CA C 11 35.156 35.156 61.618 -26.462 18951 2043 1 10 . 1 1 11 11 THR CB C 11 44.249 44.249 68.960 -24.711 18951 2044 1 10 . 1 1 11 11 THR H H 11 8.492 8.492 8.357 0.135 18951 2045 1 10 . 1 1 12 12 TRP N N 12 127.919 127.919 128.452 -0.533 18951 2046 1 10 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.515 -0.083 18951 2047 1 10 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.489 -26.784 18951 2048 1 10 . 1 1 12 12 TRP CB C 12 28.330 28.330 28.889 -0.558 18951 2049 1 10 . 1 1 12 12 TRP H H 12 9.037 9.037 8.879 0.158 18951 2050 1 10 . 1 1 13 13 ARG N N 13 125.359 125.359 126.139 -0.780 18951 2051 1 10 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.335 0.299 18951 2052 1 10 . 1 1 13 13 ARG CA C 13 28.685 28.685 55.823 -27.138 18951 2053 1 10 . 1 1 13 13 ARG CB C 13 32.066 32.066 31.018 1.048 18951 2054 1 10 . 1 1 13 13 ARG H H 13 9.039 9.039 8.095 0.944 18951 2055 1 10 . 1 1 14 14 LYS N N 14 126.125 126.125 121.195 4.930 18951 2056 1 10 . 1 1 14 14 LYS HA H 14 4.008 4.008 4.048 -0.040 18951 2057 1 10 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.617 -24.742 18951 2058 1 10 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.295 -0.181 18951 2059 1 10 . 1 1 14 14 LYS H H 14 9.251 9.251 8.653 0.598 18951 2060 1 10 . 1 1 15 15 GLN N N 15 115.429 115.429 117.307 -1.878 18951 2061 1 10 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.153 0.101 18951 2062 1 10 . 1 1 15 15 GLN CA C 15 33.152 33.152 58.992 -25.840 18951 2063 1 10 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.456 -0.263 18951 2064 1 10 . 1 1 15 15 GLN H H 15 9.132 9.132 8.280 0.852 18951 2065 1 10 . 1 1 16 16 ASP N N 16 119.626 119.626 120.441 -0.815 18951 2066 1 10 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.450 0.140 18951 2067 1 10 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.158 -26.053 18951 2068 1 10 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.382 2.554 18951 2069 1 10 . 1 1 16 16 ASP H H 16 7.315 7.315 8.504 -1.189 18951 2070 1 10 . 1 1 17 17 LEU N N 17 121.081 121.081 118.698 2.383 18951 2071 1 10 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.284 -0.129 18951 2072 1 10 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.163 -25.311 18951 2073 1 10 . 1 1 17 17 LEU CB C 17 41.200 41.200 42.053 -0.854 18951 2074 1 10 . 1 1 17 17 LEU H H 17 7.864 7.864 7.620 0.244 18951 2075 1 10 . 1 1 18 18 ASP N N 18 120.789 120.789 120.112 0.677 18951 2076 1 10 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.311 0.101 18951 2077 1 10 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.500 -25.944 18951 2078 1 10 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.743 -0.251 18951 2079 1 10 . 1 1 18 18 ASP H H 18 8.684 8.684 7.664 1.020 18951 2080 1 10 . 1 1 19 19 ARG N N 19 121.558 121.558 118.809 2.749 18951 2081 1 10 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.242 -0.197 18951 2082 1 10 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.676 -25.015 18951 2083 1 10 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.439 -0.289 18951 2084 1 10 . 1 1 19 19 ARG H H 19 7.759 7.759 7.508 0.251 18951 2085 1 10 . 1 1 20 20 LEU N N 20 120.844 120.844 120.932 -0.088 18951 2086 1 10 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.061 -0.053 18951 2087 1 10 . 1 1 20 20 LEU CA C 20 32.109 32.109 58.068 -25.959 18951 2088 1 10 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.974 -0.774 18951 2089 1 10 . 1 1 20 20 LEU H H 20 8.459 8.459 7.697 0.762 18951 2090 1 10 . 1 1 21 21 LYS N N 21 119.771 119.771 119.371 0.400 18951 2091 1 10 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.907 -0.057 18951 2092 1 10 . 1 1 21 21 LYS CA C 21 34.335 34.335 60.057 -25.722 18951 2093 1 10 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.197 0.789 18951 2094 1 10 . 1 1 21 21 LYS H H 21 8.531 8.531 8.145 0.386 18951 2095 1 10 . 1 1 22 22 ARG N N 22 119.843 119.843 118.692 1.151 18951 2096 1 10 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.045 0.085 18951 2097 1 10 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.948 -25.558 18951 2098 1 10 . 1 1 22 22 ARG CB C 22 30.103 30.103 29.659 0.444 18951 2099 1 10 . 1 1 22 22 ARG H H 22 7.653 7.653 7.737 -0.084 18951 2100 1 10 . 1 1 23 23 VAL N N 23 120.992 120.992 120.200 0.792 18951 2101 1 10 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.637 -0.007 18951 2102 1 10 . 1 1 23 23 VAL CA C 23 40.891 40.891 66.334 -25.443 18951 2103 1 10 . 1 1 23 23 VAL CB C 23 31.663 31.663 31.643 0.020 18951 2104 1 10 . 1 1 23 23 VAL H H 23 8.443 8.443 7.333 1.110 18951 2105 1 10 . 1 1 24 24 ILE N N 24 121.095 121.095 119.687 1.408 18951 2106 1 10 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.413 -0.257 18951 2107 1 10 . 1 1 24 24 ILE CA C 24 40.235 40.235 64.818 -24.583 18951 2108 1 10 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.241 1.172 18951 2109 1 10 . 1 1 24 24 ILE H H 24 8.618 8.618 7.570 1.048 18951 2110 1 10 . 1 1 25 25 ALA N N 25 122.768 122.768 120.941 1.827 18951 2111 1 10 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.164 0.008 18951 2112 1 10 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.691 -26.036 18951 2113 1 10 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.648 25.627 18951 2114 1 10 . 1 1 25 25 ALA H H 25 7.795 7.795 7.574 0.221 18951 2115 1 10 . 1 1 26 26 LEU N N 26 117.435 117.435 117.492 -0.057 18951 2116 1 10 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.278 -0.068 18951 2117 1 10 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.060 -26.055 18951 2118 1 10 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.311 1.034 18951 2119 1 10 . 1 1 26 26 LEU H H 26 7.489 7.489 7.190 0.299 18951 2120 1 10 . 1 1 27 27 LYS N N 27 116.796 116.796 116.770 0.026 18951 2121 1 10 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.230 -0.151 18951 2122 1 10 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.227 -27.031 18951 2123 1 10 . 1 1 27 27 LYS CB C 27 32.049 32.049 33.092 -1.043 18951 2124 1 10 . 1 1 27 27 LYS H H 27 8.358 8.358 8.293 0.065 18951 2125 1 10 . 1 1 28 28 LYS N N 28 116.168 116.168 118.467 -2.299 18951 2126 1 10 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.113 -0.005 18951 2127 1 10 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.056 -25.581 18951 2128 1 10 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.355 0.140 18951 2129 1 10 . 1 1 28 28 LYS H H 28 8.544 8.544 7.557 0.987 18951 2130 1 10 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.382 -0.236 18951 2131 1 10 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.284 -25.159 18951 2132 1 10 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.110 -0.010 18951 2133 1 10 . 1 1 30 30 SER N N 30 116.657 116.657 115.786 0.871 18951 2134 1 10 . 1 1 30 30 SER HA H 30 4.971 4.971 4.512 0.459 18951 2135 1 10 . 1 1 30 30 SER CA C 30 32.065 32.065 57.697 -25.632 18951 2136 1 10 . 1 1 30 30 SER CB C 30 39.086 39.086 63.082 -23.996 18951 2137 1 10 . 1 1 30 30 SER H H 30 9.003 9.003 8.251 0.752 18951 2138 1 10 . 1 1 31 31 ALA N N 31 118.256 118.256 124.037 -5.781 18951 2139 1 10 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.692 0.081 18951 2140 1 10 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.430 -25.445 18951 2141 1 10 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.285 27.220 18951 2142 1 10 . 1 1 31 31 ALA H H 31 9.031 9.031 8.324 0.707 18951 2143 1 10 . 1 1 32 32 SER N N 32 117.751 117.751 115.543 2.208 18951 2144 1 10 . 1 1 32 32 SER HA H 32 4.315 4.315 4.693 -0.378 18951 2145 1 10 . 1 1 32 32 SER CA C 32 32.525 32.525 57.848 -25.323 18951 2146 1 10 . 1 1 32 32 SER CB C 32 38.556 38.556 64.837 -26.281 18951 2147 1 10 . 1 1 32 32 SER H H 32 8.737 8.737 8.381 0.356 18951 2148 1 10 . 1 1 33 33 ASP N N 33 124.239 124.239 125.274 -1.035 18951 2149 1 10 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.532 -0.122 18951 2150 1 10 . 1 1 33 33 ASP CA C 33 31.926 31.926 57.143 -25.217 18951 2151 1 10 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.855 -1.275 18951 2152 1 10 . 1 1 33 33 ASP H H 33 9.156 9.156 8.923 0.233 18951 2153 1 10 . 1 1 34 34 ALA N N 34 124.661 124.661 121.256 3.405 18951 2154 1 10 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.203 -0.051 18951 2155 1 10 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.546 -24.841 18951 2156 1 10 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.815 25.405 18951 2157 1 10 . 1 1 34 34 ALA H H 34 8.716 8.716 8.136 0.580 18951 2158 1 10 . 1 1 35 35 ASP N N 35 121.111 121.111 119.225 1.886 18951 2159 1 10 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.504 -0.142 18951 2160 1 10 . 1 1 35 35 ASP CA C 35 31.085 31.085 57.504 -26.419 18951 2161 1 10 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.931 -1.554 18951 2162 1 10 . 1 1 35 35 ASP H H 35 7.897 7.897 7.846 0.051 18951 2163 1 10 . 1 1 36 36 TRP N N 36 121.306 121.306 120.259 1.047 18951 2164 1 10 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.544 -0.664 18951 2165 1 10 . 1 1 36 36 TRP CA C 36 35.255 35.255 60.239 -24.984 18951 2166 1 10 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.424 -0.909 18951 2167 1 10 . 1 1 36 36 TRP H H 36 8.061 8.061 8.504 -0.443 18951 2168 1 10 . 1 1 37 37 THR N N 37 122.204 122.204 115.274 6.930 18951 2169 1 10 . 1 1 37 37 THR HA H 37 3.975 3.975 3.985 -0.010 18951 2170 1 10 . 1 1 37 37 THR CA C 37 41.605 41.605 66.476 -24.871 18951 2171 1 10 . 1 1 37 37 THR CB C 37 42.055 42.055 68.140 -26.085 18951 2172 1 10 . 1 1 37 37 THR H H 37 8.658 8.658 7.769 0.889 18951 2173 1 10 . 1 1 38 38 GLU N N 38 122.790 122.790 119.959 2.831 18951 2174 1 10 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.238 0.002 18951 2175 1 10 . 1 1 38 38 GLU CA C 38 33.094 33.094 58.956 -25.862 18951 2176 1 10 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.828 -1.053 18951 2177 1 10 . 1 1 38 38 GLU H H 38 7.229 7.229 7.462 -0.233 18951 2178 1 10 . 1 1 39 39 VAL N N 39 118.792 118.792 119.191 -0.399 18951 2179 1 10 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.722 -0.435 18951 2180 1 10 . 1 1 39 39 VAL CA C 39 40.331 40.331 65.744 -25.413 18951 2181 1 10 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.229 -0.316 18951 2182 1 10 . 1 1 39 39 VAL H H 39 7.392 7.392 7.468 -0.076 18951 2183 1 10 . 1 1 40 40 LEU N N 40 119.835 119.835 116.751 3.084 18951 2184 1 10 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.318 -0.270 18951 2185 1 10 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.492 -24.738 18951 2186 1 10 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.645 0.505 18951 2187 1 10 . 1 1 40 40 LEU H H 40 8.305 8.305 8.508 -0.203 18951 2188 1 10 . 1 1 41 41 ARG N N 41 123.317 123.317 120.193 3.124 18951 2189 1 10 . 1 1 41 41 ARG HA H 41 4.059 4.059 4.069 -0.010 18951 2190 1 10 . 1 1 41 41 ARG CA C 41 33.613 33.613 59.245 -25.632 18951 2191 1 10 . 1 1 41 41 ARG CB C 41 30.288 30.288 30.175 0.113 18951 2192 1 10 . 1 1 41 41 ARG H H 41 8.132 8.132 7.702 0.430 18951 2193 1 10 . 1 1 42 42 LEU N N 42 119.831 119.831 119.783 0.048 18951 2194 1 10 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.076 0.047 18951 2195 1 10 . 1 1 42 42 LEU CA C 42 30.690 30.690 58.080 -27.390 18951 2196 1 10 . 1 1 42 42 LEU CB C 42 42.780 42.780 41.729 1.051 18951 2197 1 10 . 1 1 42 42 LEU H H 42 7.627 7.627 7.863 -0.236 18951 2198 1 10 . 1 1 43 43 LEU N N 43 121.439 121.439 118.991 2.448 18951 2199 1 10 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.373 -0.503 18951 2200 1 10 . 1 1 43 43 LEU CA C 43 31.635 31.635 54.576 -22.941 18951 2201 1 10 . 1 1 43 43 LEU CB C 43 43.324 43.324 40.788 2.536 18951 2202 1 10 . 1 1 43 43 LEU H H 43 8.476 8.476 7.609 0.867 18951 2203 1 10 . 1 1 44 44 ALA N N 44 118.277 118.277 122.022 -3.745 18951 2204 1 10 . 1 1 44 44 ALA HA H 44 3.921 3.921 4.026 -0.105 18951 2205 1 10 . 1 1 44 44 ALA CA C 44 26.718 26.718 54.944 -28.226 18951 2206 1 10 . 1 1 44 44 ALA CB C 44 42.811 42.811 18.150 24.661 18951 2207 1 10 . 1 1 44 44 ALA H H 44 7.871 7.871 8.062 -0.191 18951 2208 1 10 . 1 1 45 45 LYS N N 45 122.047 122.047 118.552 3.495 18951 2209 1 10 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.050 0.336 18951 2210 1 10 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.635 -29.800 18951 2211 1 10 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.078 2.014 18951 2212 1 10 . 1 1 45 45 LYS H H 45 8.864 8.864 7.683 1.181 18951 2213 1 10 . 1 1 46 46 GLU N N 46 110.362 110.362 117.842 -7.480 18951 2214 1 10 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.404 -0.504 18951 2215 1 10 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.419 -23.174 18951 2216 1 10 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.370 0.036 18951 2217 1 10 . 1 1 46 46 GLU H H 46 8.780 8.780 7.749 1.031 18951 2218 1 10 . 1 1 47 47 GLY N N 47 112.932 112.932 108.762 4.170 18951 2219 1 10 . 1 1 47 47 GLY CA C 47 45.100 45.100 45.912 -0.812 18951 2220 1 10 . 1 1 47 47 GLY H H 47 8.877 8.877 8.082 0.795 18951 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 44 2.828 -0.706 2.770 18951 2 1 1 "Average Difference" HA 46 0.193 0.056 0.187 18951 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18951 4 1 1 "Average Difference" CA 46 25.237 24.682 5.326 18951 5 1 1 "Average Difference" CB 44 12.272 -0.093 12.413 18951 6 1 1 "Average Difference" HN 44 0.551 -0.293 0.472 18951 7 1 2 "Average Difference" N 44 2.967 -0.865 2.871 18951 8 1 2 "Average Difference" HA 46 0.219 0.073 0.208 18951 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18951 10 1 2 "Average Difference" CA 46 25.227 24.653 5.411 18951 11 1 2 "Average Difference" CB 44 12.229 -0.098 12.370 18951 12 1 2 "Average Difference" HN 44 0.614 -0.300 0.542 18951 13 1 3 "Average Difference" N 44 2.785 -0.848 2.684 18951 14 1 3 "Average Difference" HA 46 0.220 0.048 0.217 18951 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18951 16 1 3 "Average Difference" CA 46 25.248 24.671 5.423 18951 17 1 3 "Average Difference" CB 44 12.246 -0.230 12.385 18951 18 1 3 "Average Difference" HN 44 0.591 -0.349 0.482 18951 19 1 4 "Average Difference" N 44 2.913 -0.808 2.831 18951 20 1 4 "Average Difference" HA 46 0.224 0.061 0.218 18951 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18951 22 1 4 "Average Difference" CA 46 25.168 24.617 5.295 18951 23 1 4 "Average Difference" CB 44 12.231 -0.068 12.372 18951 24 1 4 "Average Difference" HN 44 0.598 -0.284 0.532 18951 25 1 5 "Average Difference" N 44 3.158 -1.048 3.013 18951 26 1 5 "Average Difference" HA 46 0.239 0.054 0.235 18951 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18951 28 1 5 "Average Difference" CA 46 25.340 24.743 5.531 18951 29 1 5 "Average Difference" CB 44 12.223 -0.094 12.364 18951 30 1 5 "Average Difference" HN 44 0.541 -0.287 0.464 18951 31 1 6 "Average Difference" N 44 3.129 -1.116 2.957 18951 32 1 6 "Average Difference" HA 46 0.213 0.081 0.199 18951 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18951 34 1 6 "Average Difference" CA 46 25.335 24.762 5.417 18951 35 1 6 "Average Difference" CB 44 12.353 -0.071 12.496 18951 36 1 6 "Average Difference" HN 44 0.581 -0.314 0.494 18951 37 1 7 "Average Difference" N 44 2.875 -1.242 2.623 18951 38 1 7 "Average Difference" HA 46 0.227 0.059 0.221 18951 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18951 40 1 7 "Average Difference" CA 46 25.311 24.729 5.455 18951 41 1 7 "Average Difference" CB 44 12.327 -0.027 12.469 18951 42 1 7 "Average Difference" HN 44 0.556 -0.300 0.474 18951 43 1 8 "Average Difference" N 44 2.791 -0.919 2.665 18951 44 1 8 "Average Difference" HA 46 0.200 0.068 0.190 18951 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18951 46 1 8 "Average Difference" CA 46 25.279 24.704 5.418 18951 47 1 8 "Average Difference" CB 44 12.366 -0.228 12.507 18951 48 1 8 "Average Difference" HN 44 0.619 -0.344 0.520 18951 49 1 9 "Average Difference" N 44 2.975 -1.010 2.831 18951 50 1 9 "Average Difference" HA 46 0.232 0.080 0.220 18951 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18951 52 1 9 "Average Difference" CA 46 25.174 24.605 5.379 18951 53 1 9 "Average Difference" CB 44 12.355 -0.024 12.498 18951 54 1 9 "Average Difference" HN 44 0.576 -0.307 0.493 18951 55 1 10 "Average Difference" N 44 2.830 -0.811 2.743 18951 56 1 10 "Average Difference" HA 46 0.229 0.087 0.214 18951 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18951 58 1 10 "Average Difference" CA 46 25.250 24.691 5.341 18951 59 1 10 "Average Difference" CB 44 12.289 -0.053 12.431 18951 60 1 10 "Average Difference" HN 44 0.612 -0.337 0.517 18951 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 18951 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.466 4.466 4.534 -0.068 18951 2 1 . 1 1 2 2 PRO CA C 2 37.135 37.135 62.818 -25.683 18951 3 1 . 1 1 2 2 PRO CB C 2 32.410 32.410 32.268 0.142 18951 4 1 . 1 1 3 3 LEU N N 3 123.217 123.217 119.835 3.381 18951 5 1 . 1 1 3 3 LEU HA H 3 4.336 4.336 4.375 -0.039 18951 6 1 . 1 1 3 3 LEU CA C 3 29.405 29.405 54.956 -25.551 18951 7 1 . 1 1 3 3 LEU CB C 3 42.450 42.450 42.127 0.324 18951 8 1 . 1 1 3 3 LEU H H 3 8.523 8.523 8.096 0.427 18951 9 1 . 1 1 4 4 GLY N N 4 110.431 110.431 110.104 0.327 18951 10 1 . 1 1 4 4 GLY CA C 4 45.314 45.314 44.938 0.376 18951 11 1 . 1 1 4 4 GLY H H 4 8.399 8.399 8.287 0.112 18951 12 1 . 1 1 5 5 SER N N 5 116.309 116.309 116.186 0.123 18951 13 1 . 1 1 5 5 SER HA H 5 4.460 4.460 4.561 -0.101 18951 14 1 . 1 1 5 5 SER CA C 5 32.148 32.148 58.060 -25.912 18951 15 1 . 1 1 5 5 SER CB C 5 38.011 38.011 64.160 -26.149 18951 16 1 . 1 1 5 5 SER H H 5 8.169 8.169 8.269 -0.100 18951 17 1 . 1 1 6 6 VAL N N 6 122.407 122.407 120.778 1.629 18951 18 1 . 1 1 6 6 VAL HA H 6 4.123 4.123 4.158 -0.035 18951 19 1 . 1 1 6 6 VAL CA C 6 36.145 36.145 62.078 -25.933 18951 20 1 . 1 1 6 6 VAL CB C 6 32.794 32.794 32.282 0.512 18951 21 1 . 1 1 6 6 VAL H H 6 8.138 8.138 8.041 0.097 18951 22 1 . 1 1 7 7 ALA N N 7 128.473 128.473 126.402 2.071 18951 23 1 . 1 1 7 7 ALA HA H 7 4.285 4.285 4.342 -0.057 18951 24 1 . 1 1 7 7 ALA CA C 7 26.375 26.375 52.357 -25.982 18951 25 1 . 1 1 7 7 ALA CB C 7 45.395 45.395 18.871 26.524 18951 26 1 . 1 1 7 7 ALA H H 7 8.311 8.311 8.272 0.039 18951 27 1 . 1 1 8 8 LYS N N 8 121.756 121.756 121.001 0.754 18951 28 1 . 1 1 8 8 LYS HA H 8 4.257 4.257 4.346 -0.089 18951 29 1 . 1 1 8 8 LYS CA C 8 30.073 30.073 56.439 -26.366 18951 30 1 . 1 1 8 8 LYS CB C 8 33.210 33.210 33.584 -0.374 18951 31 1 . 1 1 8 8 LYS H H 8 8.224 8.224 8.173 0.051 18951 32 1 . 1 1 9 9 LYS N N 9 124.006 124.006 120.762 3.244 18951 33 1 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.380 -0.074 18951 34 1 . 1 1 9 9 LYS CA C 9 30.071 30.071 55.973 -25.902 18951 35 1 . 1 1 9 9 LYS CB C 9 33.265 33.265 32.757 0.508 18951 36 1 . 1 1 9 9 LYS H H 9 8.286 8.286 8.352 -0.066 18951 37 1 . 1 1 10 10 ILE N N 10 125.481 125.481 121.192 4.290 18951 38 1 . 1 1 10 10 ILE HA H 10 4.108 4.108 4.137 -0.029 18951 39 1 . 1 1 10 10 ILE CA C 10 33.853 33.853 60.497 -26.644 18951 40 1 . 1 1 10 10 ILE CB C 10 38.394 38.394 39.412 -1.018 18951 41 1 . 1 1 10 10 ILE H H 10 8.348 8.348 7.793 0.555 18951 42 1 . 1 1 11 11 THR N N 11 122.767 122.767 123.642 -0.875 18951 43 1 . 1 1 11 11 THR HA H 11 4.479 4.479 4.451 0.028 18951 44 1 . 1 1 11 11 THR CA C 11 35.156 35.156 61.916 -26.760 18951 45 1 . 1 1 11 11 THR CB C 11 44.249 44.249 68.741 -24.492 18951 46 1 . 1 1 11 11 THR H H 11 8.492 8.492 8.305 0.187 18951 47 1 . 1 1 12 12 TRP N N 12 127.919 127.919 128.457 -0.538 18951 48 1 . 1 1 12 12 TRP HA H 12 4.432 4.432 4.547 -0.115 18951 49 1 . 1 1 12 12 TRP CA C 12 30.705 30.705 57.305 -26.600 18951 50 1 . 1 1 12 12 TRP CB C 12 28.330 28.330 29.399 -1.069 18951 51 1 . 1 1 12 12 TRP H H 12 9.037 9.037 8.497 0.540 18951 52 1 . 1 1 13 13 ARG N N 13 125.359 125.359 124.359 1.000 18951 53 1 . 1 1 13 13 ARG HA H 13 4.634 4.634 4.590 0.044 18951 54 1 . 1 1 13 13 ARG CA C 13 28.685 28.685 55.057 -26.372 18951 55 1 . 1 1 13 13 ARG CB C 13 32.066 32.066 32.028 0.038 18951 56 1 . 1 1 13 13 ARG H H 13 9.039 9.039 8.309 0.730 18951 57 1 . 1 1 14 14 LYS N N 14 126.125 126.125 122.105 4.020 18951 58 1 . 1 1 14 14 LYS HA H 14 4.008 4.008 3.981 0.027 18951 59 1 . 1 1 14 14 LYS CA C 14 34.875 34.875 59.670 -24.795 18951 60 1 . 1 1 14 14 LYS CB C 14 32.114 32.114 32.207 -0.093 18951 61 1 . 1 1 14 14 LYS H H 14 9.251 9.251 8.770 0.481 18951 62 1 . 1 1 15 15 GLN N N 15 115.429 115.429 118.140 -2.711 18951 63 1 . 1 1 15 15 GLN HA H 15 4.254 4.254 4.140 0.114 18951 64 1 . 1 1 15 15 GLN CA C 15 33.152 33.152 58.992 -25.840 18951 65 1 . 1 1 15 15 GLN CB C 15 28.193 28.193 28.212 -0.019 18951 66 1 . 1 1 15 15 GLN H H 15 9.132 9.132 8.439 0.693 18951 67 1 . 1 1 16 16 ASP N N 16 119.626 119.626 120.405 -0.779 18951 68 1 . 1 1 16 16 ASP HA H 16 4.590 4.590 4.473 0.117 18951 69 1 . 1 1 16 16 ASP CA C 16 31.105 31.105 57.224 -26.119 18951 70 1 . 1 1 16 16 ASP CB C 16 42.936 42.936 40.492 2.444 18951 71 1 . 1 1 16 16 ASP H H 16 7.315 7.315 8.162 -0.847 18951 72 1 . 1 1 17 17 LEU N N 17 121.081 121.081 119.923 1.158 18951 73 1 . 1 1 17 17 LEU HA H 17 4.155 4.155 4.150 0.005 18951 74 1 . 1 1 17 17 LEU CA C 17 31.852 31.852 57.834 -25.982 18951 75 1 . 1 1 17 17 LEU CB C 17 41.200 41.200 41.631 -0.431 18951 76 1 . 1 1 17 17 LEU H H 17 7.864 7.864 8.040 -0.176 18951 77 1 . 1 1 18 18 ASP N N 18 120.789 120.789 118.905 1.884 18951 78 1 . 1 1 18 18 ASP HA H 18 4.412 4.412 4.326 0.086 18951 79 1 . 1 1 18 18 ASP CA C 18 31.556 31.556 57.658 -26.102 18951 80 1 . 1 1 18 18 ASP CB C 18 40.492 40.492 40.847 -0.355 18951 81 1 . 1 1 18 18 ASP H H 18 8.684 8.684 7.993 0.691 18951 82 1 . 1 1 19 19 ARG N N 19 121.558 121.558 119.211 2.347 18951 83 1 . 1 1 19 19 ARG HA H 19 4.045 4.045 4.170 -0.125 18951 84 1 . 1 1 19 19 ARG CA C 19 33.661 33.661 58.777 -25.116 18951 85 1 . 1 1 19 19 ARG CB C 19 30.150 30.150 30.297 -0.147 18951 86 1 . 1 1 19 19 ARG H H 19 7.759 7.759 7.520 0.239 18951 87 1 . 1 1 20 20 LEU N N 20 120.844 120.844 120.657 0.187 18951 88 1 . 1 1 20 20 LEU HA H 20 4.008 4.008 4.084 -0.076 18951 89 1 . 1 1 20 20 LEU CA C 20 32.109 32.109 57.983 -25.874 18951 90 1 . 1 1 20 20 LEU CB C 20 41.200 41.200 41.935 -0.735 18951 91 1 . 1 1 20 20 LEU H H 20 8.459 8.459 7.766 0.693 18951 92 1 . 1 1 21 21 LYS N N 21 119.771 119.771 118.934 0.837 18951 93 1 . 1 1 21 21 LYS HA H 21 3.850 3.850 3.905 -0.055 18951 94 1 . 1 1 21 21 LYS CA C 21 34.335 34.335 59.802 -25.467 18951 95 1 . 1 1 21 21 LYS CB C 21 32.986 32.986 32.162 0.824 18951 96 1 . 1 1 21 21 LYS H H 21 8.531 8.531 8.172 0.359 18951 97 1 . 1 1 22 22 ARG N N 22 119.843 119.843 118.033 1.810 18951 98 1 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.098 0.032 18951 99 1 . 1 1 22 22 ARG CA C 22 33.390 33.390 58.811 -25.421 18951 100 1 . 1 1 22 22 ARG CB C 22 30.103 30.103 29.916 0.187 18951 101 1 . 1 1 22 22 ARG H H 22 7.653 7.653 7.721 -0.068 18951 102 1 . 1 1 23 23 VAL N N 23 120.992 120.992 119.806 1.186 18951 103 1 . 1 1 23 23 VAL HA H 23 3.630 3.630 3.736 -0.106 18951 104 1 . 1 1 23 23 VAL CA C 23 40.891 40.891 65.700 -24.809 18951 105 1 . 1 1 23 23 VAL CB C 23 31.663 31.663 31.851 -0.188 18951 106 1 . 1 1 23 23 VAL H H 23 8.443 8.443 7.513 0.930 18951 107 1 . 1 1 24 24 ILE N N 24 121.095 121.095 120.052 1.043 18951 108 1 . 1 1 24 24 ILE HA H 24 3.156 3.156 3.366 -0.210 18951 109 1 . 1 1 24 24 ILE CA C 24 40.235 40.235 65.096 -24.861 18951 110 1 . 1 1 24 24 ILE CB C 24 38.413 38.413 37.147 1.266 18951 111 1 . 1 1 24 24 ILE H H 24 8.618 8.618 7.870 0.748 18951 112 1 . 1 1 25 25 ALA N N 25 122.768 122.768 120.811 1.957 18951 113 1 . 1 1 25 25 ALA HA H 25 4.172 4.172 4.154 0.018 18951 114 1 . 1 1 25 25 ALA CA C 25 28.655 28.655 54.497 -25.842 18951 115 1 . 1 1 25 25 ALA CB C 25 44.275 44.275 18.650 25.625 18951 116 1 . 1 1 25 25 ALA H H 25 7.795 7.795 7.633 0.162 18951 117 1 . 1 1 26 26 LEU N N 26 117.435 117.435 118.505 -1.070 18951 118 1 . 1 1 26 26 LEU HA H 26 4.210 4.210 4.202 0.008 18951 119 1 . 1 1 26 26 LEU CA C 26 31.005 31.005 57.158 -26.152 18951 120 1 . 1 1 26 26 LEU CB C 26 43.345 43.345 42.353 0.992 18951 121 1 . 1 1 26 26 LEU H H 26 7.489 7.489 7.409 0.080 18951 122 1 . 1 1 27 27 LYS N N 27 116.796 116.796 117.015 -0.219 18951 123 1 . 1 1 27 27 LYS HA H 27 4.079 4.079 4.143 -0.064 18951 124 1 . 1 1 27 27 LYS CA C 27 29.196 29.196 56.684 -27.488 18951 125 1 . 1 1 27 27 LYS CB C 27 32.049 32.049 32.976 -0.927 18951 126 1 . 1 1 27 27 LYS H H 27 8.358 8.358 8.204 0.154 18951 127 1 . 1 1 28 28 LYS N N 28 116.168 116.168 118.102 -1.934 18951 128 1 . 1 1 28 28 LYS HA H 28 4.108 4.108 4.113 -0.005 18951 129 1 . 1 1 28 28 LYS CA C 28 30.475 30.475 56.061 -25.586 18951 130 1 . 1 1 28 28 LYS CB C 28 30.495 30.495 30.420 0.076 18951 131 1 . 1 1 28 28 LYS H H 28 8.544 8.544 7.545 0.999 18951 132 1 . 1 1 29 29 PRO HA H 29 4.146 4.146 4.459 -0.313 18951 133 1 . 1 1 29 29 PRO CA C 29 37.125 37.125 62.388 -25.263 18951 134 1 . 1 1 29 29 PRO CB C 29 32.100 32.100 32.064 0.036 18951 135 1 . 1 1 30 30 SER N N 30 116.657 116.657 114.822 1.835 18951 136 1 . 1 1 30 30 SER HA H 30 4.971 4.971 4.594 0.377 18951 137 1 . 1 1 30 30 SER CA C 30 32.065 32.065 58.087 -26.022 18951 138 1 . 1 1 30 30 SER CB C 30 39.086 39.086 63.414 -24.328 18951 139 1 . 1 1 30 30 SER H H 30 9.003 9.003 8.261 0.742 18951 140 1 . 1 1 31 31 ALA N N 31 118.256 118.256 123.724 -5.467 18951 141 1 . 1 1 31 31 ALA HA H 31 4.773 4.773 4.661 0.112 18951 142 1 . 1 1 31 31 ALA CA C 31 27.985 27.985 53.205 -25.219 18951 143 1 . 1 1 31 31 ALA CB C 31 45.505 45.505 18.466 27.039 18951 144 1 . 1 1 31 31 ALA H H 31 9.031 9.031 8.348 0.683 18951 145 1 . 1 1 32 32 SER N N 32 117.751 117.751 115.786 1.965 18951 146 1 . 1 1 32 32 SER HA H 32 4.315 4.315 4.725 -0.410 18951 147 1 . 1 1 32 32 SER CA C 32 32.525 32.525 57.622 -25.097 18951 148 1 . 1 1 32 32 SER CB C 32 38.556 38.556 64.658 -26.102 18951 149 1 . 1 1 32 32 SER H H 32 8.737 8.737 8.230 0.507 18951 150 1 . 1 1 33 33 ASP N N 33 124.239 124.239 126.375 -2.136 18951 151 1 . 1 1 33 33 ASP HA H 33 4.410 4.410 4.500 -0.090 18951 152 1 . 1 1 33 33 ASP CA C 33 31.926 31.926 57.332 -25.406 18951 153 1 . 1 1 33 33 ASP CB C 33 39.580 39.580 40.731 -1.151 18951 154 1 . 1 1 33 33 ASP H H 33 9.156 9.156 9.004 0.152 18951 155 1 . 1 1 34 34 ALA N N 34 124.661 124.661 121.453 3.208 18951 156 1 . 1 1 34 34 ALA HA H 34 4.152 4.152 4.168 -0.016 18951 157 1 . 1 1 34 34 ALA CA C 34 29.705 29.705 54.660 -24.955 18951 158 1 . 1 1 34 34 ALA CB C 34 44.220 44.220 18.604 25.616 18951 159 1 . 1 1 34 34 ALA H H 34 8.716 8.716 8.006 0.710 18951 160 1 . 1 1 35 35 ASP N N 35 121.111 121.111 119.573 1.538 18951 161 1 . 1 1 35 35 ASP HA H 35 4.362 4.362 4.504 -0.142 18951 162 1 . 1 1 35 35 ASP CA C 35 31.085 31.085 57.098 -26.012 18951 163 1 . 1 1 35 35 ASP CB C 35 39.377 39.377 40.834 -1.457 18951 164 1 . 1 1 35 35 ASP H H 35 7.897 7.897 7.822 0.075 18951 165 1 . 1 1 36 36 TRP N N 36 121.306 121.306 120.631 0.675 18951 166 1 . 1 1 36 36 TRP HA H 36 3.880 3.880 4.426 -0.546 18951 167 1 . 1 1 36 36 TRP CA C 36 35.255 35.255 60.732 -25.477 18951 168 1 . 1 1 36 36 TRP CB C 36 28.515 28.515 29.365 -0.850 18951 169 1 . 1 1 36 36 TRP H H 36 8.061 8.061 8.649 -0.588 18951 170 1 . 1 1 37 37 THR N N 37 122.204 122.204 115.169 7.035 18951 171 1 . 1 1 37 37 THR HA H 37 3.975 3.975 3.955 0.020 18951 172 1 . 1 1 37 37 THR CA C 37 41.605 41.605 66.912 -25.307 18951 173 1 . 1 1 37 37 THR CB C 37 42.055 42.055 68.334 -26.279 18951 174 1 . 1 1 37 37 THR H H 37 8.658 8.658 7.906 0.752 18951 175 1 . 1 1 38 38 GLU N N 38 122.790 122.790 120.236 2.554 18951 176 1 . 1 1 38 38 GLU HA H 38 4.240 4.240 4.187 0.053 18951 177 1 . 1 1 38 38 GLU CA C 38 33.094 33.094 59.070 -25.976 18951 178 1 . 1 1 38 38 GLU CB C 38 28.775 28.775 29.589 -0.814 18951 179 1 . 1 1 38 38 GLU H H 38 7.229 7.229 7.647 -0.418 18951 180 1 . 1 1 39 39 VAL N N 39 118.792 118.792 119.113 -0.321 18951 181 1 . 1 1 39 39 VAL HA H 39 3.287 3.287 3.745 -0.458 18951 182 1 . 1 1 39 39 VAL CA C 39 40.331 40.331 65.832 -25.501 18951 183 1 . 1 1 39 39 VAL CB C 39 30.913 30.913 31.510 -0.597 18951 184 1 . 1 1 39 39 VAL H H 39 7.392 7.392 7.445 -0.053 18951 185 1 . 1 1 40 40 LEU N N 40 119.835 119.835 118.008 1.827 18951 186 1 . 1 1 40 40 LEU HA H 40 4.048 4.048 4.367 -0.319 18951 187 1 . 1 1 40 40 LEU CA C 40 32.754 32.754 57.255 -24.501 18951 188 1 . 1 1 40 40 LEU CB C 40 42.150 42.150 41.771 0.379 18951 189 1 . 1 1 40 40 LEU H H 40 8.305 8.305 8.562 -0.257 18951 190 1 . 1 1 41 41 ARG N N 41 123.317 123.317 119.596 3.721 18951 191 1 . 1 1 41 41 ARG HA H 41 4.059 4.059 4.003 0.056 18951 192 1 . 1 1 41 41 ARG CA C 41 33.613 33.613 59.206 -25.593 18951 193 1 . 1 1 41 41 ARG CB C 41 30.288 30.288 29.880 0.408 18951 194 1 . 1 1 41 41 ARG H H 41 8.132 8.132 7.708 0.424 18951 195 1 . 1 1 42 42 LEU N N 42 119.831 119.831 118.708 1.123 18951 196 1 . 1 1 42 42 LEU HA H 42 4.123 4.123 4.193 -0.070 18951 197 1 . 1 1 42 42 LEU CA C 42 30.690 30.690 57.452 -26.762 18951 198 1 . 1 1 42 42 LEU CB C 42 42.780 42.780 42.195 0.585 18951 199 1 . 1 1 42 42 LEU H H 42 7.627 7.627 7.714 -0.087 18951 200 1 . 1 1 43 43 LEU N N 43 121.439 121.439 119.233 2.207 18951 201 1 . 1 1 43 43 LEU HA H 43 3.870 3.870 4.194 -0.324 18951 202 1 . 1 1 43 43 LEU CA C 43 31.635 31.635 55.702 -24.067 18951 203 1 . 1 1 43 43 LEU CB C 43 43.324 43.324 41.454 1.870 18951 204 1 . 1 1 43 43 LEU H H 43 8.476 8.476 7.681 0.795 18951 205 1 . 1 1 44 44 ALA N N 44 118.277 118.277 122.540 -4.263 18951 206 1 . 1 1 44 44 ALA HA H 44 3.921 3.921 4.014 -0.093 18951 207 1 . 1 1 44 44 ALA CA C 44 26.718 26.718 54.745 -28.027 18951 208 1 . 1 1 44 44 ALA CB C 44 42.811 42.811 18.016 24.795 18951 209 1 . 1 1 44 44 ALA H H 44 7.871 7.871 8.219 -0.348 18951 210 1 . 1 1 45 45 LYS N N 45 122.047 122.047 118.640 3.407 18951 211 1 . 1 1 45 45 LYS HA H 45 4.386 4.386 4.054 0.331 18951 212 1 . 1 1 45 45 LYS CA C 45 28.835 28.835 58.602 -29.767 18951 213 1 . 1 1 45 45 LYS CB C 45 34.092 34.092 32.360 1.732 18951 214 1 . 1 1 45 45 LYS H H 45 8.864 8.864 7.774 1.090 18951 215 1 . 1 1 46 46 GLU N N 46 110.362 110.362 117.055 -6.692 18951 216 1 . 1 1 46 46 GLU HA H 46 3.900 3.900 4.416 -0.517 18951 217 1 . 1 1 46 46 GLU CA C 46 32.245 32.245 55.359 -23.114 18951 218 1 . 1 1 46 46 GLU CB C 46 29.406 29.406 29.423 -0.017 18951 219 1 . 1 1 46 46 GLU H H 46 8.780 8.780 7.853 0.927 18951 220 1 . 1 1 47 47 GLY N N 47 112.932 112.932 109.033 3.899 18951 221 1 . 1 1 47 47 GLY CA C 47 45.100 45.100 45.791 -0.691 18951 222 1 . 1 1 47 47 GLY H H 47 8.877 8.877 7.990 0.887 18951 stop_ save_