data_19600 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19600 _Entry.PDB_ID 2MGQ 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 19600 _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 4.234 4.234 4.633 -0.399 19600 2 1 1 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.804 0.412 19600 3 1 1 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.377 2.189 19600 4 1 1 . 1 1 3 3 ARG N N 3 122.101 122.101 117.876 4.225 19600 5 1 1 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.731 -0.680 19600 6 1 1 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.955 0.553 19600 7 1 1 . 1 1 3 3 ARG CB C 3 30.742 30.742 31.309 -0.567 19600 8 1 1 . 1 1 3 3 ARG H H 3 8.377 8.377 8.120 0.257 19600 9 1 1 . 1 1 4 4 LYS N N 4 123.421 123.421 122.616 0.805 19600 10 1 1 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.342 -0.322 19600 11 1 1 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.238 -0.656 19600 12 1 1 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.197 0.006 19600 13 1 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.792 -0.514 19600 14 1 1 . 1 1 5 5 ASN N N 5 120.133 120.133 116.044 4.089 19600 15 1 1 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.756 -0.336 19600 16 1 1 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.596 -0.224 19600 17 1 1 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.263 -0.367 19600 18 1 1 . 1 1 5 5 ASN H H 5 8.318 8.318 8.525 -0.207 19600 19 1 1 . 1 1 6 6 ARG N N 6 121.990 121.990 115.320 6.670 19600 20 1 1 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.363 -0.324 19600 21 1 1 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.121 0.418 19600 22 1 1 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.486 0.243 19600 23 1 1 . 1 1 6 6 ARG H H 6 8.185 8.185 7.805 0.380 19600 24 1 1 . 1 1 7 7 ARG N N 7 122.520 122.520 122.301 0.219 19600 25 1 1 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.561 -0.551 19600 26 1 1 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.178 0.295 19600 27 1 1 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.929 -1.028 19600 28 1 1 . 1 1 7 7 ARG H H 7 8.237 8.237 8.275 -0.038 19600 29 1 1 . 1 1 8 8 GLU N N 8 121.543 121.543 117.424 4.119 19600 30 1 1 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.261 -0.242 19600 31 1 1 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.579 0.967 19600 32 1 1 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.842 -0.283 19600 33 1 1 . 1 1 8 8 GLU H H 8 7.971 7.971 8.262 -0.291 19600 34 1 1 . 1 1 9 9 ARG N N 9 122.730 122.730 120.303 2.427 19600 35 1 1 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.033 0.118 19600 36 1 1 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.174 -1.779 19600 37 1 1 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.519 0.434 19600 38 1 1 . 1 1 9 9 ARG H H 9 8.290 8.290 8.642 -0.352 19600 39 1 1 . 1 1 10 10 THR N N 10 116.410 116.410 106.311 10.099 19600 40 1 1 . 1 1 10 10 THR HA H 10 4.073 4.073 4.431 -0.358 19600 41 1 1 . 1 1 10 10 THR CA C 10 62.073 62.073 61.196 0.877 19600 42 1 1 . 1 1 10 10 THR CB C 10 70.102 70.102 70.373 -0.271 19600 43 1 1 . 1 1 10 10 THR H H 10 8.132 8.132 7.485 0.647 19600 44 1 1 . 1 1 11 11 THR N N 11 117.607 117.607 112.325 5.282 19600 45 1 1 . 1 1 11 11 THR HA H 11 4.101 4.101 4.106 -0.005 19600 46 1 1 . 1 1 11 11 THR CA C 11 61.581 61.581 65.022 -3.441 19600 47 1 1 . 1 1 11 11 THR CB C 11 70.193 70.193 69.028 1.165 19600 48 1 1 . 1 1 11 11 THR H H 11 7.868 7.868 8.240 -0.372 19600 49 1 1 . 1 1 12 12 TYR N N 12 122.200 122.200 113.312 8.888 19600 50 1 1 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.925 -0.327 19600 51 1 1 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.856 1.245 19600 52 1 1 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.458 1.059 19600 53 1 1 . 1 1 12 12 TYR H H 12 8.053 8.053 7.253 0.800 19600 54 1 1 . 1 1 13 13 SER N N 13 119.084 119.084 117.688 1.396 19600 55 1 1 . 1 1 13 13 SER HA H 13 4.340 4.340 4.828 -0.488 19600 56 1 1 . 1 1 13 13 SER CA C 13 56.906 56.906 56.725 0.181 19600 57 1 1 . 1 1 13 13 SER CB C 13 65.860 65.860 66.075 -0.215 19600 58 1 1 . 1 1 13 13 SER H H 13 8.976 8.976 8.345 0.631 19600 59 1 1 . 1 1 14 14 ARG N N 14 121.463 121.463 122.129 -0.666 19600 60 1 1 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.334 -0.584 19600 61 1 1 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.337 1.641 19600 62 1 1 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.285 -0.840 19600 63 1 1 . 1 1 14 14 ARG H H 14 8.824 8.824 8.849 -0.025 19600 64 1 1 . 1 1 15 15 GLN N N 15 117.760 117.760 118.698 -0.938 19600 65 1 1 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.907 -0.090 19600 66 1 1 . 1 1 15 15 GLN CA C 15 59.606 59.606 60.269 -0.663 19600 67 1 1 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.703 0.527 19600 68 1 1 . 1 1 15 15 GLN H H 15 8.341 8.341 8.667 -0.326 19600 69 1 1 . 1 1 16 16 GLN N N 16 117.933 117.933 116.694 1.239 19600 70 1 1 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.979 -0.477 19600 71 1 1 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.722 0.811 19600 72 1 1 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.240 0.190 19600 73 1 1 . 1 1 16 16 GLN H H 16 7.487 7.487 8.352 -0.865 19600 74 1 1 . 1 1 17 17 LEU N N 17 117.025 117.025 116.294 0.731 19600 75 1 1 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.449 -1.077 19600 76 1 1 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.560 2.201 19600 77 1 1 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.137 -0.645 19600 78 1 1 . 1 1 17 17 LEU H H 17 8.070 8.070 7.649 0.421 19600 79 1 1 . 1 1 18 18 GLU N N 18 118.469 118.469 121.244 -2.775 19600 80 1 1 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.151 -0.421 19600 81 1 1 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.370 0.397 19600 82 1 1 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.498 0.053 19600 83 1 1 . 1 1 18 18 GLU H H 18 7.857 7.857 7.940 -0.083 19600 84 1 1 . 1 1 19 19 ILE N N 19 121.154 121.154 118.838 2.316 19600 85 1 1 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.733 -0.313 19600 86 1 1 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.800 -1.263 19600 87 1 1 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.564 0.127 19600 88 1 1 . 1 1 19 19 ILE H H 19 7.076 7.076 7.705 -0.629 19600 89 1 1 . 1 1 20 20 LEU N N 20 122.911 122.911 117.245 5.666 19600 90 1 1 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.580 -1.256 19600 91 1 1 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.740 1.977 19600 92 1 1 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.200 -1.638 19600 93 1 1 . 1 1 20 20 LEU H H 20 7.600 7.600 7.311 0.289 19600 94 1 1 . 1 1 21 21 GLU N N 21 118.448 118.448 120.107 -1.659 19600 95 1 1 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.147 -0.135 19600 96 1 1 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.417 -0.489 19600 97 1 1 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.656 -0.515 19600 98 1 1 . 1 1 21 21 GLU H H 21 8.354 8.354 8.050 0.304 19600 99 1 1 . 1 1 22 22 THR N N 22 116.336 116.336 113.558 2.778 19600 100 1 1 . 1 1 22 22 THR HA H 22 3.745 3.745 4.231 -0.486 19600 101 1 1 . 1 1 22 22 THR CA C 22 67.433 67.433 65.968 1.465 19600 102 1 1 . 1 1 22 22 THR CB C 22 68.490 68.490 69.540 -1.050 19600 103 1 1 . 1 1 22 22 THR H H 22 7.703 7.703 8.495 -0.792 19600 104 1 1 . 1 1 23 23 LEU N N 23 123.532 123.532 123.130 0.402 19600 105 1 1 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.131 0.068 19600 106 1 1 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.135 0.160 19600 107 1 1 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.104 -1.267 19600 108 1 1 . 1 1 23 23 LEU H H 23 7.501 7.501 7.693 -0.192 19600 109 1 1 . 1 1 24 24 PHE N N 24 120.756 120.756 119.308 1.448 19600 110 1 1 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.248 0.187 19600 111 1 1 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.659 0.673 19600 112 1 1 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.807 0.171 19600 113 1 1 . 1 1 24 24 PHE H H 24 8.708 8.708 8.384 0.324 19600 114 1 1 . 1 1 25 25 ASN N N 25 113.604 113.604 115.764 -2.160 19600 115 1 1 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.225 -0.151 19600 116 1 1 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.747 0.602 19600 117 1 1 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.948 -0.148 19600 118 1 1 . 1 1 25 25 ASN H H 25 7.827 7.827 7.724 0.103 19600 119 1 1 . 1 1 26 26 GLU N N 26 120.985 120.985 119.492 1.493 19600 120 1 1 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.129 -0.158 19600 121 1 1 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.380 0.121 19600 122 1 1 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.166 -0.078 19600 123 1 1 . 1 1 26 26 GLU H H 26 7.532 7.532 8.130 -0.598 19600 124 1 1 . 1 1 27 27 THR N N 27 115.986 115.986 109.812 6.174 19600 125 1 1 . 1 1 27 27 THR HA H 27 4.085 4.085 4.257 -0.172 19600 126 1 1 . 1 1 27 27 THR CA C 27 59.365 59.365 61.240 -1.875 19600 127 1 1 . 1 1 27 27 THR CB C 27 69.151 69.151 69.168 -0.017 19600 128 1 1 . 1 1 27 27 THR H H 27 8.719 8.719 8.030 0.689 19600 129 1 1 . 1 1 28 28 GLN N N 28 122.144 122.144 120.384 1.760 19600 130 1 1 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.475 -0.821 19600 131 1 1 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.625 1.595 19600 132 1 1 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.682 -1.622 19600 133 1 1 . 1 1 28 28 GLN H H 28 7.963 7.963 8.067 -0.104 19600 134 1 1 . 1 1 29 29 TYR N N 29 114.355 114.355 119.558 -5.203 19600 135 1 1 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.836 -0.407 19600 136 1 1 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.355 2.102 19600 137 1 1 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.452 1.545 19600 138 1 1 . 1 1 29 29 TYR H H 29 7.680 7.680 7.236 0.444 19600 139 1 1 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.360 -0.286 19600 140 1 1 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.076 -0.673 19600 141 1 1 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.863 0.823 19600 142 1 1 . 1 1 31 31 ASP N N 31 123.957 123.957 121.806 2.151 19600 143 1 1 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.904 -0.713 19600 144 1 1 . 1 1 31 31 ASP CA C 31 52.813 52.813 53.086 -0.273 19600 145 1 1 . 1 1 31 31 ASP CB C 31 41.087 41.087 45.181 -4.094 19600 146 1 1 . 1 1 31 31 ASP H H 31 8.496 8.496 7.984 0.512 19600 147 1 1 . 1 1 32 32 VAL N N 32 117.950 117.950 118.784 -0.834 19600 148 1 1 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.706 -0.508 19600 149 1 1 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.008 0.242 19600 150 1 1 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.662 -0.169 19600 151 1 1 . 1 1 32 32 VAL H H 32 8.162 8.162 8.393 -0.231 19600 152 1 1 . 1 1 33 33 PHE N N 33 120.199 120.199 119.318 0.881 19600 153 1 1 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.183 -0.147 19600 154 1 1 . 1 1 33 33 PHE CA C 33 60.514 60.514 60.298 0.216 19600 155 1 1 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.331 -0.398 19600 156 1 1 . 1 1 33 33 PHE H H 33 6.841 6.841 8.408 -1.567 19600 157 1 1 . 1 1 34 34 ALA N N 34 123.742 123.742 121.727 2.015 19600 158 1 1 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.014 -0.132 19600 159 1 1 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.404 0.738 19600 160 1 1 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.058 -0.499 19600 161 1 1 . 1 1 34 34 ALA H H 34 8.139 8.139 8.053 0.086 19600 162 1 1 . 1 1 35 35 ARG N N 35 116.197 116.197 118.410 -2.213 19600 163 1 1 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.798 -0.244 19600 164 1 1 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.206 1.541 19600 165 1 1 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.566 1.604 19600 166 1 1 . 1 1 35 35 ARG H H 35 8.281 8.281 7.867 0.414 19600 167 1 1 . 1 1 36 36 GLU N N 36 119.133 119.133 118.203 0.930 19600 168 1 1 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.995 -0.298 19600 169 1 1 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.758 0.952 19600 170 1 1 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.491 -0.041 19600 171 1 1 . 1 1 36 36 GLU H H 36 8.382 8.382 8.320 0.062 19600 172 1 1 . 1 1 37 37 ARG N N 37 119.597 119.597 118.862 0.735 19600 173 1 1 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.081 -0.169 19600 174 1 1 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.732 0.961 19600 175 1 1 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.603 -0.600 19600 176 1 1 . 1 1 37 37 ARG H H 37 7.707 7.707 7.518 0.189 19600 177 1 1 . 1 1 38 38 VAL N N 38 119.099 119.099 117.699 1.400 19600 178 1 1 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.672 0.103 19600 179 1 1 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.651 0.168 19600 180 1 1 . 1 1 38 38 VAL CB C 38 31.643 31.643 31.140 0.503 19600 181 1 1 . 1 1 38 38 VAL H H 38 7.630 7.630 8.090 -0.460 19600 182 1 1 . 1 1 39 39 ALA N N 39 124.624 124.624 122.126 2.498 19600 183 1 1 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.898 -0.207 19600 184 1 1 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.045 1.369 19600 185 1 1 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.129 0.121 19600 186 1 1 . 1 1 39 39 ALA H H 39 8.196 8.196 7.915 0.281 19600 187 1 1 . 1 1 40 40 ASP N N 40 115.786 115.786 116.341 -0.555 19600 188 1 1 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.532 -0.335 19600 189 1 1 . 1 1 40 40 ASP CA C 40 56.815 56.815 56.236 0.579 19600 190 1 1 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.111 0.196 19600 191 1 1 . 1 1 40 40 ASP H H 40 7.510 7.510 8.091 -0.581 19600 192 1 1 . 1 1 41 41 GLN N N 41 118.952 118.952 118.307 0.645 19600 193 1 1 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.175 -0.340 19600 194 1 1 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.798 1.521 19600 195 1 1 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.634 -0.069 19600 196 1 1 . 1 1 41 41 GLN H H 41 7.643 7.643 7.799 -0.156 19600 197 1 1 . 1 1 42 42 ILE N N 42 108.381 108.381 111.969 -3.588 19600 198 1 1 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.257 0.135 19600 199 1 1 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.066 -0.274 19600 200 1 1 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.985 -0.543 19600 201 1 1 . 1 1 42 42 ILE H H 42 8.076 8.076 7.671 0.405 19600 202 1 1 . 1 1 43 43 ARG N N 43 119.055 119.055 118.336 0.719 19600 203 1 1 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.022 -0.284 19600 204 1 1 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.447 0.376 19600 205 1 1 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.404 -1.338 19600 206 1 1 . 1 1 43 43 ARG H H 43 7.588 7.588 7.582 0.006 19600 207 1 1 . 1 1 44 44 LEU N N 44 119.135 119.135 119.102 0.033 19600 208 1 1 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.626 -0.058 19600 209 1 1 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.373 -0.377 19600 210 1 1 . 1 1 44 44 LEU CB C 44 47.600 47.600 44.714 2.886 19600 211 1 1 . 1 1 44 44 LEU H H 44 7.648 7.648 8.366 -0.718 19600 212 1 1 . 1 1 45 45 GLN N N 45 118.784 118.784 120.241 -1.457 19600 213 1 1 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.268 -0.203 19600 214 1 1 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.268 0.059 19600 215 1 1 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.401 0.401 19600 216 1 1 . 1 1 45 45 GLN H H 45 8.107 8.107 8.382 -0.275 19600 217 1 1 . 1 1 46 46 GLU N N 46 125.074 125.074 123.074 2.000 19600 218 1 1 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.095 -0.552 19600 219 1 1 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.215 1.948 19600 220 1 1 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.377 -0.741 19600 221 1 1 . 1 1 46 46 GLU H H 46 9.097 9.097 8.848 0.249 19600 222 1 1 . 1 1 47 47 SER N N 47 113.706 113.706 113.806 -0.100 19600 223 1 1 . 1 1 47 47 SER HA H 47 3.828 3.828 4.369 -0.541 19600 224 1 1 . 1 1 47 47 SER CA C 47 61.464 61.464 59.719 1.745 19600 225 1 1 . 1 1 47 47 SER CB C 47 61.867 61.867 63.379 -1.512 19600 226 1 1 . 1 1 47 47 SER H H 47 8.533 8.533 7.896 0.637 19600 227 1 1 . 1 1 48 48 ARG N N 48 121.795 121.795 121.465 0.330 19600 228 1 1 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.316 -0.268 19600 229 1 1 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.068 0.088 19600 230 1 1 . 1 1 48 48 ARG CB C 48 29.475 29.475 30.082 -0.607 19600 231 1 1 . 1 1 48 48 ARG H H 48 7.153 7.153 7.921 -0.768 19600 232 1 1 . 1 1 49 49 ILE N N 49 121.647 121.647 121.321 0.326 19600 233 1 1 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.881 -0.246 19600 234 1 1 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.412 0.101 19600 235 1 1 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.759 -0.936 19600 236 1 1 . 1 1 49 49 ILE H H 49 7.613 7.613 8.129 -0.516 19600 237 1 1 . 1 1 50 50 GLN N N 50 118.579 118.579 118.686 -0.107 19600 238 1 1 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.111 0.022 19600 239 1 1 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.193 1.280 19600 240 1 1 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.589 0.443 19600 241 1 1 . 1 1 50 50 GLN H H 50 8.051 8.051 8.307 -0.256 19600 242 1 1 . 1 1 51 51 VAL N N 51 120.580 120.580 115.364 5.216 19600 243 1 1 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.909 -0.466 19600 244 1 1 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.812 1.275 19600 245 1 1 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.490 0.788 19600 246 1 1 . 1 1 51 51 VAL H H 51 7.372 7.372 7.790 -0.418 19600 247 1 1 . 1 1 52 52 TRP N N 52 121.485 121.485 120.082 1.403 19600 248 1 1 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.620 -0.846 19600 249 1 1 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.692 3.810 19600 250 1 1 . 1 1 52 52 TRP CB C 52 28.388 28.388 30.048 -1.660 19600 251 1 1 . 1 1 52 52 TRP H H 52 8.135 8.135 7.436 0.699 19600 252 1 1 . 1 1 53 53 PHE N N 53 118.122 118.122 121.198 -3.076 19600 253 1 1 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.194 -0.773 19600 254 1 1 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.205 3.782 19600 255 1 1 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.748 0.604 19600 256 1 1 . 1 1 53 53 PHE H H 53 8.764 8.764 8.520 0.244 19600 257 1 1 . 1 1 54 54 LYS N N 54 120.838 120.838 118.422 2.416 19600 258 1 1 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.832 -0.117 19600 259 1 1 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.084 3.593 19600 260 1 1 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.375 -0.184 19600 261 1 1 . 1 1 54 54 LYS H H 54 7.947 7.947 7.572 0.375 19600 262 1 1 . 1 1 55 55 ASN N N 55 118.986 118.986 119.227 -0.241 19600 263 1 1 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.343 -0.222 19600 264 1 1 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.893 -1.198 19600 265 1 1 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.502 -0.761 19600 266 1 1 . 1 1 55 55 ASN H H 55 7.953 7.953 8.378 -0.425 19600 267 1 1 . 1 1 56 56 ARG N N 56 124.991 124.991 119.326 5.665 19600 268 1 1 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.167 -0.885 19600 269 1 1 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.993 -1.145 19600 270 1 1 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.287 -2.615 19600 271 1 1 . 1 1 56 56 ARG H H 56 8.263 8.263 8.268 -0.005 19600 272 1 1 . 1 1 57 57 ARG N N 57 120.173 120.173 120.097 0.076 19600 273 1 1 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.441 0.348 19600 274 1 1 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.011 3.168 19600 275 1 1 . 1 1 57 57 ARG CB C 57 31.525 31.525 28.944 2.581 19600 276 1 1 . 1 1 57 57 ARG H H 57 8.343 8.343 7.681 0.662 19600 277 1 1 . 1 1 58 58 ALA N N 58 121.602 121.602 119.227 2.375 19600 278 1 1 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.484 -0.573 19600 279 1 1 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.704 1.637 19600 280 1 1 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.167 -1.391 19600 281 1 1 . 1 1 58 58 ALA H H 58 7.179 7.179 8.076 -0.897 19600 282 1 1 . 1 1 59 59 LYS N N 59 119.515 119.515 120.837 -1.322 19600 283 1 1 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.992 -0.262 19600 284 1 1 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.413 0.912 19600 285 1 1 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.761 0.812 19600 286 1 1 . 1 1 59 59 LYS H H 59 7.463 7.463 7.681 -0.218 19600 287 1 1 . 1 1 60 60 TYR N N 60 120.152 120.152 118.872 1.280 19600 288 1 1 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.098 0.062 19600 289 1 1 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.090 0.924 19600 290 1 1 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.433 1.377 19600 291 1 1 . 1 1 60 60 TYR H H 60 7.874 7.874 7.906 -0.032 19600 292 1 1 . 1 1 61 61 ARG N N 61 118.122 118.122 117.879 0.243 19600 293 1 1 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.557 0.274 19600 294 1 1 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.893 1.306 19600 295 1 1 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.514 0.796 19600 296 1 1 . 1 1 61 61 ARG H H 61 7.943 7.943 7.506 0.437 19600 297 1 1 . 1 1 62 62 LEU N N 62 119.191 119.191 121.431 -2.240 19600 298 1 1 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.154 -0.224 19600 299 1 1 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.316 -0.195 19600 300 1 1 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.787 0.322 19600 301 1 1 . 1 1 62 62 LEU H H 62 7.407 7.407 7.739 -0.332 19600 302 1 1 . 1 1 63 63 GLN N N 63 118.201 118.201 117.001 1.200 19600 303 1 1 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.010 -0.137 19600 304 1 1 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.393 -1.055 19600 305 1 1 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.792 1.079 19600 306 1 1 . 1 1 63 63 GLN H H 63 7.676 7.676 8.539 -0.863 19600 307 1 1 . 1 1 64 64 GLU N N 64 120.152 120.152 120.329 -0.177 19600 308 1 1 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.060 -0.260 19600 309 1 1 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.007 -1.504 19600 310 1 1 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.402 0.785 19600 311 1 1 . 1 1 64 64 GLU H H 64 7.808 7.808 7.935 -0.127 19600 312 1 1 . 1 1 65 65 LYS N N 65 120.364 120.364 114.897 5.467 19600 313 1 1 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.483 -0.497 19600 314 1 1 . 1 1 65 65 LYS CA C 65 56.871 56.871 56.632 0.239 19600 315 1 1 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.893 -0.420 19600 316 1 1 . 1 1 65 65 LYS H H 65 7.695 7.695 7.702 -0.007 19600 317 1 1 . 1 1 66 66 GLN N N 66 120.265 120.265 120.263 0.002 19600 318 1 1 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.048 -0.020 19600 319 1 1 . 1 1 66 66 GLN CA C 66 55.796 55.796 58.120 -2.325 19600 320 1 1 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.194 0.105 19600 321 1 1 . 1 1 66 66 GLN H H 66 7.906 7.906 7.951 -0.045 19600 322 1 1 . 1 1 67 67 LYS N N 67 124.357 124.357 118.876 5.481 19600 323 1 1 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.306 0.010 19600 324 1 1 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.192 -0.596 19600 325 1 1 . 1 1 67 67 LYS CB C 67 32.457 32.457 31.884 0.573 19600 326 1 1 . 1 1 67 67 LYS H H 67 7.963 7.963 7.582 0.381 19600 327 1 2 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.600 -0.366 19600 328 1 2 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.178 0.038 19600 329 1 2 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.425 2.141 19600 330 1 2 . 1 1 3 3 ARG N N 3 122.101 122.101 121.519 0.582 19600 331 1 2 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.223 -0.172 19600 332 1 2 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.307 0.201 19600 333 1 2 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.872 -2.130 19600 334 1 2 . 1 1 3 3 ARG H H 3 8.377 8.377 8.323 0.054 19600 335 1 2 . 1 1 4 4 LYS N N 4 123.421 123.421 122.525 0.896 19600 336 1 2 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.237 -0.217 19600 337 1 2 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.020 -0.438 19600 338 1 2 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.346 -0.144 19600 339 1 2 . 1 1 4 4 LYS H H 4 8.278 8.278 7.984 0.294 19600 340 1 2 . 1 1 5 5 ASN N N 5 120.133 120.133 116.351 3.782 19600 341 1 2 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.681 -0.261 19600 342 1 2 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.869 -0.497 19600 343 1 2 . 1 1 5 5 ASN CB C 5 38.896 38.896 40.329 -1.433 19600 344 1 2 . 1 1 5 5 ASN H H 5 8.318 8.318 7.746 0.572 19600 345 1 2 . 1 1 6 6 ARG N N 6 121.990 121.990 119.095 2.895 19600 346 1 2 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.631 -0.592 19600 347 1 2 . 1 1 6 6 ARG CA C 6 56.539 56.539 55.948 0.591 19600 348 1 2 . 1 1 6 6 ARG CB C 6 30.729 30.729 31.801 -1.072 19600 349 1 2 . 1 1 6 6 ARG H H 6 8.185 8.185 7.926 0.259 19600 350 1 2 . 1 1 7 7 ARG N N 7 122.520 122.520 119.115 3.405 19600 351 1 2 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.178 -0.168 19600 352 1 2 . 1 1 7 7 ARG CA C 7 56.473 56.473 57.000 -0.527 19600 353 1 2 . 1 1 7 7 ARG CB C 7 30.901 30.901 28.296 2.606 19600 354 1 2 . 1 1 7 7 ARG H H 7 8.237 8.237 8.860 -0.623 19600 355 1 2 . 1 1 8 8 GLU N N 8 121.543 121.543 118.452 3.091 19600 356 1 2 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.066 -0.047 19600 357 1 2 . 1 1 8 8 GLU CA C 8 56.546 56.546 54.856 1.690 19600 358 1 2 . 1 1 8 8 GLU CB C 8 30.559 30.559 31.787 -1.228 19600 359 1 2 . 1 1 8 8 GLU H H 8 7.971 7.971 8.174 -0.203 19600 360 1 2 . 1 1 9 9 ARG N N 9 122.730 122.730 120.629 2.101 19600 361 1 2 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.020 0.131 19600 362 1 2 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.253 -1.858 19600 363 1 2 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.402 0.551 19600 364 1 2 . 1 1 9 9 ARG H H 9 8.290 8.290 8.612 -0.322 19600 365 1 2 . 1 1 10 10 THR N N 10 116.410 116.410 107.104 9.306 19600 366 1 2 . 1 1 10 10 THR HA H 10 4.073 4.073 4.295 -0.222 19600 367 1 2 . 1 1 10 10 THR CA C 10 62.073 62.073 60.902 1.171 19600 368 1 2 . 1 1 10 10 THR CB C 10 70.102 70.102 69.281 0.821 19600 369 1 2 . 1 1 10 10 THR H H 10 8.132 8.132 7.377 0.755 19600 370 1 2 . 1 1 11 11 THR N N 11 117.607 117.607 115.291 2.316 19600 371 1 2 . 1 1 11 11 THR HA H 11 4.101 4.101 4.092 0.009 19600 372 1 2 . 1 1 11 11 THR CA C 11 61.581 61.581 64.596 -3.015 19600 373 1 2 . 1 1 11 11 THR CB C 11 70.193 70.193 68.790 1.403 19600 374 1 2 . 1 1 11 11 THR H H 11 7.868 7.868 8.268 -0.400 19600 375 1 2 . 1 1 12 12 TYR N N 12 122.200 122.200 115.204 6.996 19600 376 1 2 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.804 -0.206 19600 377 1 2 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.872 1.229 19600 378 1 2 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.143 1.374 19600 379 1 2 . 1 1 12 12 TYR H H 12 8.053 8.053 7.027 1.026 19600 380 1 2 . 1 1 13 13 SER N N 13 119.084 119.084 117.856 1.228 19600 381 1 2 . 1 1 13 13 SER HA H 13 4.340 4.340 4.893 -0.553 19600 382 1 2 . 1 1 13 13 SER CA C 13 56.906 56.906 55.645 1.262 19600 383 1 2 . 1 1 13 13 SER CB C 13 65.860 65.860 64.573 1.287 19600 384 1 2 . 1 1 13 13 SER H H 13 8.976 8.976 8.165 0.811 19600 385 1 2 . 1 1 14 14 ARG N N 14 121.463 121.463 121.260 0.203 19600 386 1 2 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.318 -0.568 19600 387 1 2 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.117 1.861 19600 388 1 2 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.140 -0.695 19600 389 1 2 . 1 1 14 14 ARG H H 14 8.824 8.824 8.831 -0.007 19600 390 1 2 . 1 1 15 15 GLN N N 15 117.760 117.760 119.139 -1.379 19600 391 1 2 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.877 -0.060 19600 392 1 2 . 1 1 15 15 GLN CA C 15 59.606 59.606 58.742 0.864 19600 393 1 2 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.807 0.423 19600 394 1 2 . 1 1 15 15 GLN H H 15 8.341 8.341 7.736 0.605 19600 395 1 2 . 1 1 16 16 GLN N N 16 117.933 117.933 116.391 1.542 19600 396 1 2 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.961 -0.459 19600 397 1 2 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.501 1.032 19600 398 1 2 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.177 0.253 19600 399 1 2 . 1 1 16 16 GLN H H 16 7.487 7.487 8.378 -0.891 19600 400 1 2 . 1 1 17 17 LEU N N 17 117.025 117.025 116.172 0.853 19600 401 1 2 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.362 -0.990 19600 402 1 2 . 1 1 17 17 LEU CA C 17 57.761 57.761 56.054 1.707 19600 403 1 2 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.990 -0.498 19600 404 1 2 . 1 1 17 17 LEU H H 17 8.070 8.070 7.702 0.368 19600 405 1 2 . 1 1 18 18 GLU N N 18 118.469 118.469 121.264 -2.795 19600 406 1 2 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.151 -0.421 19600 407 1 2 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.379 0.388 19600 408 1 2 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.507 0.044 19600 409 1 2 . 1 1 18 18 GLU H H 18 7.857 7.857 7.958 -0.101 19600 410 1 2 . 1 1 19 19 ILE N N 19 121.154 121.154 118.881 2.273 19600 411 1 2 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.732 -0.312 19600 412 1 2 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.825 -1.288 19600 413 1 2 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.575 0.116 19600 414 1 2 . 1 1 19 19 ILE H H 19 7.076 7.076 7.710 -0.634 19600 415 1 2 . 1 1 20 20 LEU N N 20 122.911 122.911 117.685 5.226 19600 416 1 2 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.569 -1.245 19600 417 1 2 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.624 2.093 19600 418 1 2 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.266 -1.704 19600 419 1 2 . 1 1 20 20 LEU H H 20 7.600 7.600 7.377 0.223 19600 420 1 2 . 1 1 21 21 GLU N N 21 118.448 118.448 119.201 -0.753 19600 421 1 2 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.061 -0.049 19600 422 1 2 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.242 -0.314 19600 423 1 2 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.808 -0.667 19600 424 1 2 . 1 1 21 21 GLU H H 21 8.354 8.354 8.145 0.209 19600 425 1 2 . 1 1 22 22 THR N N 22 116.336 116.336 113.685 2.651 19600 426 1 2 . 1 1 22 22 THR HA H 22 3.745 3.745 4.278 -0.533 19600 427 1 2 . 1 1 22 22 THR CA C 22 67.433 67.433 65.388 2.045 19600 428 1 2 . 1 1 22 22 THR CB C 22 68.490 68.490 69.707 -1.217 19600 429 1 2 . 1 1 22 22 THR H H 22 7.703 7.703 8.237 -0.534 19600 430 1 2 . 1 1 23 23 LEU N N 23 123.532 123.532 123.186 0.346 19600 431 1 2 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.117 0.082 19600 432 1 2 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.063 0.232 19600 433 1 2 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.077 -1.240 19600 434 1 2 . 1 1 23 23 LEU H H 23 7.501 7.501 7.696 -0.195 19600 435 1 2 . 1 1 24 24 PHE N N 24 120.756 120.756 119.307 1.449 19600 436 1 2 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.192 0.243 19600 437 1 2 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.921 0.411 19600 438 1 2 . 1 1 24 24 PHE CB C 24 38.978 38.978 39.023 -0.045 19600 439 1 2 . 1 1 24 24 PHE H H 24 8.708 8.708 8.360 0.348 19600 440 1 2 . 1 1 25 25 ASN N N 25 113.604 113.604 115.579 -1.975 19600 441 1 2 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.445 -0.371 19600 442 1 2 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.407 -0.058 19600 443 1 2 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.760 0.040 19600 444 1 2 . 1 1 25 25 ASN H H 25 7.827 7.827 7.811 0.016 19600 445 1 2 . 1 1 26 26 GLU N N 26 120.985 120.985 119.245 1.740 19600 446 1 2 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.123 -0.152 19600 447 1 2 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.555 -0.054 19600 448 1 2 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.423 -0.335 19600 449 1 2 . 1 1 26 26 GLU H H 26 7.532 7.532 8.023 -0.491 19600 450 1 2 . 1 1 27 27 THR N N 27 115.986 115.986 110.240 5.746 19600 451 1 2 . 1 1 27 27 THR HA H 27 4.085 4.085 4.255 -0.170 19600 452 1 2 . 1 1 27 27 THR CA C 27 59.365 59.365 61.394 -2.029 19600 453 1 2 . 1 1 27 27 THR CB C 27 69.151 69.151 69.413 -0.262 19600 454 1 2 . 1 1 27 27 THR H H 27 8.719 8.719 7.957 0.762 19600 455 1 2 . 1 1 28 28 GLN N N 28 122.144 122.144 120.305 1.839 19600 456 1 2 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.392 -0.738 19600 457 1 2 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.774 1.446 19600 458 1 2 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.255 -1.195 19600 459 1 2 . 1 1 28 28 GLN H H 28 7.963 7.963 8.013 -0.050 19600 460 1 2 . 1 1 29 29 TYR N N 29 114.355 114.355 119.855 -5.500 19600 461 1 2 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.846 -0.417 19600 462 1 2 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.177 2.280 19600 463 1 2 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.822 1.175 19600 464 1 2 . 1 1 29 29 TYR H H 29 7.680 7.680 7.298 0.382 19600 465 1 2 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.423 -0.349 19600 466 1 2 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.129 -0.726 19600 467 1 2 . 1 1 30 30 PRO CB C 30 31.686 31.686 31.061 0.625 19600 468 1 2 . 1 1 31 31 ASP N N 31 123.957 123.957 122.621 1.336 19600 469 1 2 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.866 -0.675 19600 470 1 2 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.725 0.088 19600 471 1 2 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.170 -3.083 19600 472 1 2 . 1 1 31 31 ASP H H 31 8.496 8.496 7.980 0.516 19600 473 1 2 . 1 1 32 32 VAL N N 32 117.950 117.950 118.578 -0.628 19600 474 1 2 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.704 -0.506 19600 475 1 2 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.164 0.086 19600 476 1 2 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.747 -0.254 19600 477 1 2 . 1 1 32 32 VAL H H 32 8.162 8.162 8.323 -0.161 19600 478 1 2 . 1 1 33 33 PHE N N 33 120.199 120.199 120.047 0.152 19600 479 1 2 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.201 -0.165 19600 480 1 2 . 1 1 33 33 PHE CA C 33 60.514 60.514 60.033 0.481 19600 481 1 2 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.394 -0.461 19600 482 1 2 . 1 1 33 33 PHE H H 33 6.841 6.841 8.543 -1.702 19600 483 1 2 . 1 1 34 34 ALA N N 34 123.742 123.742 122.786 0.956 19600 484 1 2 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.009 -0.127 19600 485 1 2 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.324 0.818 19600 486 1 2 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.571 -1.012 19600 487 1 2 . 1 1 34 34 ALA H H 34 8.139 8.139 8.175 -0.036 19600 488 1 2 . 1 1 35 35 ARG N N 35 116.197 116.197 118.376 -2.179 19600 489 1 2 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.790 -0.236 19600 490 1 2 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.209 1.538 19600 491 1 2 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.585 1.585 19600 492 1 2 . 1 1 35 35 ARG H H 35 8.281 8.281 7.958 0.323 19600 493 1 2 . 1 1 36 36 GLU N N 36 119.133 119.133 118.084 1.049 19600 494 1 2 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.003 -0.306 19600 495 1 2 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.752 0.958 19600 496 1 2 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.500 -0.050 19600 497 1 2 . 1 1 36 36 GLU H H 36 8.382 8.382 8.405 -0.023 19600 498 1 2 . 1 1 37 37 ARG N N 37 119.597 119.597 118.787 0.810 19600 499 1 2 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.117 -0.205 19600 500 1 2 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.771 0.922 19600 501 1 2 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.703 -0.700 19600 502 1 2 . 1 1 37 37 ARG H H 37 7.707 7.707 7.501 0.206 19600 503 1 2 . 1 1 38 38 VAL N N 38 119.099 119.099 118.147 0.952 19600 504 1 2 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.694 0.081 19600 505 1 2 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.461 0.358 19600 506 1 2 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.443 1.200 19600 507 1 2 . 1 1 38 38 VAL H H 38 7.630 7.630 8.105 -0.475 19600 508 1 2 . 1 1 39 39 ALA N N 39 124.624 124.624 123.071 1.553 19600 509 1 2 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.920 -0.229 19600 510 1 2 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.016 1.398 19600 511 1 2 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.307 -0.057 19600 512 1 2 . 1 1 39 39 ALA H H 39 8.196 8.196 7.983 0.213 19600 513 1 2 . 1 1 40 40 ASP N N 40 115.786 115.786 115.750 0.036 19600 514 1 2 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.609 -0.412 19600 515 1 2 . 1 1 40 40 ASP CA C 40 56.815 56.815 56.131 0.684 19600 516 1 2 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.219 0.088 19600 517 1 2 . 1 1 40 40 ASP H H 40 7.510 7.510 8.122 -0.612 19600 518 1 2 . 1 1 41 41 GLN N N 41 118.952 118.952 118.112 0.840 19600 519 1 2 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.212 -0.377 19600 520 1 2 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.941 1.378 19600 521 1 2 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.662 -0.097 19600 522 1 2 . 1 1 41 41 GLN H H 41 7.643 7.643 7.861 -0.218 19600 523 1 2 . 1 1 42 42 ILE N N 42 108.381 108.381 110.674 -2.293 19600 524 1 2 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.272 0.120 19600 525 1 2 . 1 1 42 42 ILE CA C 42 60.792 60.792 60.898 -0.106 19600 526 1 2 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.465 -0.023 19600 527 1 2 . 1 1 42 42 ILE H H 42 8.076 8.076 7.530 0.546 19600 528 1 2 . 1 1 43 43 ARG N N 43 119.055 119.055 118.145 0.910 19600 529 1 2 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.012 -0.274 19600 530 1 2 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.443 0.380 19600 531 1 2 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.659 -1.593 19600 532 1 2 . 1 1 43 43 ARG H H 43 7.588 7.588 7.480 0.108 19600 533 1 2 . 1 1 44 44 LEU N N 44 119.135 119.135 118.442 0.693 19600 534 1 2 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.614 -0.046 19600 535 1 2 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.173 -0.177 19600 536 1 2 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.134 2.466 19600 537 1 2 . 1 1 44 44 LEU H H 44 7.648 7.648 8.265 -0.617 19600 538 1 2 . 1 1 45 45 GLN N N 45 118.784 118.784 120.160 -1.376 19600 539 1 2 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.253 -0.188 19600 540 1 2 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.467 -0.140 19600 541 1 2 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.442 0.360 19600 542 1 2 . 1 1 45 45 GLN H H 45 8.107 8.107 8.380 -0.273 19600 543 1 2 . 1 1 46 46 GLU N N 46 125.074 125.074 122.095 2.979 19600 544 1 2 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.089 -0.546 19600 545 1 2 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.033 2.130 19600 546 1 2 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.626 -0.990 19600 547 1 2 . 1 1 46 46 GLU H H 46 9.097 9.097 8.845 0.252 19600 548 1 2 . 1 1 47 47 SER N N 47 113.706 113.706 113.924 -0.218 19600 549 1 2 . 1 1 47 47 SER HA H 47 3.828 3.828 4.371 -0.543 19600 550 1 2 . 1 1 47 47 SER CA C 47 61.464 61.464 59.802 1.662 19600 551 1 2 . 1 1 47 47 SER CB C 47 61.867 61.867 63.536 -1.669 19600 552 1 2 . 1 1 47 47 SER H H 47 8.533 8.533 8.089 0.444 19600 553 1 2 . 1 1 48 48 ARG N N 48 121.795 121.795 121.786 0.009 19600 554 1 2 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.308 -0.260 19600 555 1 2 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.733 0.423 19600 556 1 2 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.668 -0.192 19600 557 1 2 . 1 1 48 48 ARG H H 48 7.153 7.153 7.921 -0.768 19600 558 1 2 . 1 1 49 49 ILE N N 49 121.647 121.647 121.354 0.293 19600 559 1 2 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.733 -0.098 19600 560 1 2 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.594 -0.081 19600 561 1 2 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.876 -1.053 19600 562 1 2 . 1 1 49 49 ILE H H 49 7.613 7.613 8.038 -0.425 19600 563 1 2 . 1 1 50 50 GLN N N 50 118.579 118.579 118.534 0.045 19600 564 1 2 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.129 0.004 19600 565 1 2 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.091 1.382 19600 566 1 2 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.455 0.577 19600 567 1 2 . 1 1 50 50 GLN H H 50 8.051 8.051 8.309 -0.258 19600 568 1 2 . 1 1 51 51 VAL N N 51 120.580 120.580 115.077 5.503 19600 569 1 2 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.927 -0.484 19600 570 1 2 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.638 1.450 19600 571 1 2 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.582 0.696 19600 572 1 2 . 1 1 51 51 VAL H H 51 7.372 7.372 7.790 -0.418 19600 573 1 2 . 1 1 52 52 TRP N N 52 121.485 121.485 120.518 0.967 19600 574 1 2 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.607 -0.833 19600 575 1 2 . 1 1 52 52 TRP CA C 52 63.502 63.502 60.165 3.337 19600 576 1 2 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.808 -1.420 19600 577 1 2 . 1 1 52 52 TRP H H 52 8.135 8.135 7.411 0.724 19600 578 1 2 . 1 1 53 53 PHE N N 53 118.122 118.122 121.004 -2.882 19600 579 1 2 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.198 -0.777 19600 580 1 2 . 1 1 53 53 PHE CA C 53 63.987 63.987 59.896 4.091 19600 581 1 2 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.990 0.362 19600 582 1 2 . 1 1 53 53 PHE H H 53 8.764 8.764 8.550 0.214 19600 583 1 2 . 1 1 54 54 LYS N N 54 120.838 120.838 118.279 2.559 19600 584 1 2 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.863 -0.148 19600 585 1 2 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.265 3.412 19600 586 1 2 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.414 -0.223 19600 587 1 2 . 1 1 54 54 LYS H H 54 7.947 7.947 7.604 0.343 19600 588 1 2 . 1 1 55 55 ASN N N 55 118.986 118.986 119.525 -0.539 19600 589 1 2 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.272 -0.151 19600 590 1 2 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.679 -0.984 19600 591 1 2 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.415 -0.675 19600 592 1 2 . 1 1 55 55 ASN H H 55 7.953 7.953 8.353 -0.400 19600 593 1 2 . 1 1 56 56 ARG N N 56 124.991 124.991 119.571 5.420 19600 594 1 2 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.116 -0.834 19600 595 1 2 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.827 -0.979 19600 596 1 2 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.235 -2.563 19600 597 1 2 . 1 1 56 56 ARG H H 56 8.263 8.263 8.199 0.064 19600 598 1 2 . 1 1 57 57 ARG N N 57 120.173 120.173 119.910 0.263 19600 599 1 2 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.558 0.231 19600 600 1 2 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.385 2.794 19600 601 1 2 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.378 2.147 19600 602 1 2 . 1 1 57 57 ARG H H 57 8.343 8.343 7.631 0.712 19600 603 1 2 . 1 1 58 58 ALA N N 58 121.602 121.602 119.552 2.050 19600 604 1 2 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.470 -0.559 19600 605 1 2 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.723 1.618 19600 606 1 2 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.134 -1.357 19600 607 1 2 . 1 1 58 58 ALA H H 58 7.179 7.179 8.103 -0.924 19600 608 1 2 . 1 1 59 59 LYS N N 59 119.515 119.515 120.814 -1.299 19600 609 1 2 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.970 -0.240 19600 610 1 2 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.388 0.937 19600 611 1 2 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.749 0.824 19600 612 1 2 . 1 1 59 59 LYS H H 59 7.463 7.463 7.648 -0.185 19600 613 1 2 . 1 1 60 60 TYR N N 60 120.152 120.152 118.860 1.292 19600 614 1 2 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.035 0.125 19600 615 1 2 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.891 1.123 19600 616 1 2 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.309 1.500 19600 617 1 2 . 1 1 60 60 TYR H H 60 7.874 7.874 7.854 0.020 19600 618 1 2 . 1 1 61 61 ARG N N 61 118.122 118.122 118.507 -0.385 19600 619 1 2 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.503 0.328 19600 620 1 2 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.470 0.729 19600 621 1 2 . 1 1 61 61 ARG CB C 61 30.310 30.310 30.028 0.282 19600 622 1 2 . 1 1 61 61 ARG H H 61 7.943 7.943 7.374 0.569 19600 623 1 2 . 1 1 62 62 LEU N N 62 119.191 119.191 120.556 -1.365 19600 624 1 2 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.007 -0.077 19600 625 1 2 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.787 -0.666 19600 626 1 2 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.354 0.755 19600 627 1 2 . 1 1 62 62 LEU H H 62 7.407 7.407 7.430 -0.023 19600 628 1 2 . 1 1 63 63 GLN N N 63 118.201 118.201 116.915 1.286 19600 629 1 2 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.901 -0.028 19600 630 1 2 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.788 -1.450 19600 631 1 2 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.909 0.962 19600 632 1 2 . 1 1 63 63 GLN H H 63 7.676 7.676 8.450 -0.774 19600 633 1 2 . 1 1 64 64 GLU N N 64 120.152 120.152 120.901 -0.749 19600 634 1 2 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.034 -0.234 19600 635 1 2 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.737 -1.234 19600 636 1 2 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.396 0.791 19600 637 1 2 . 1 1 64 64 GLU H H 64 7.808 7.808 7.493 0.315 19600 638 1 2 . 1 1 65 65 LYS N N 65 120.364 120.364 118.352 2.012 19600 639 1 2 . 1 1 65 65 LYS HA H 65 3.986 3.986 3.964 0.022 19600 640 1 2 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.678 -1.807 19600 641 1 2 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.297 0.176 19600 642 1 2 . 1 1 65 65 LYS H H 65 7.695 7.695 7.464 0.231 19600 643 1 2 . 1 1 66 66 GLN N N 66 120.265 120.265 117.628 2.637 19600 644 1 2 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.088 -0.060 19600 645 1 2 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.879 -2.083 19600 646 1 2 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.108 0.191 19600 647 1 2 . 1 1 66 66 GLN H H 66 7.906 7.906 7.632 0.274 19600 648 1 2 . 1 1 67 67 LYS N N 67 124.357 124.357 119.157 5.200 19600 649 1 2 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.219 0.097 19600 650 1 2 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.639 -1.043 19600 651 1 2 . 1 1 67 67 LYS CB C 67 32.457 32.457 31.793 0.664 19600 652 1 2 . 1 1 67 67 LYS H H 67 7.963 7.963 7.752 0.211 19600 653 1 3 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.459 -0.225 19600 654 1 3 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.978 0.238 19600 655 1 3 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.965 1.601 19600 656 1 3 . 1 1 3 3 ARG N N 3 122.101 122.101 121.555 0.546 19600 657 1 3 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.515 -0.464 19600 658 1 3 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.541 -0.033 19600 659 1 3 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.124 -1.382 19600 660 1 3 . 1 1 3 3 ARG H H 3 8.377 8.377 8.234 0.143 19600 661 1 3 . 1 1 4 4 LYS N N 4 123.421 123.421 123.246 0.175 19600 662 1 3 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.205 -0.185 19600 663 1 3 . 1 1 4 4 LYS CA C 4 56.582 56.582 58.549 -1.967 19600 664 1 3 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.819 0.383 19600 665 1 3 . 1 1 4 4 LYS H H 4 8.278 8.278 9.034 -0.756 19600 666 1 3 . 1 1 5 5 ASN N N 5 120.133 120.133 114.341 5.792 19600 667 1 3 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.769 -0.349 19600 668 1 3 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.973 -0.601 19600 669 1 3 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.857 -0.961 19600 670 1 3 . 1 1 5 5 ASN H H 5 8.318 8.318 8.614 -0.296 19600 671 1 3 . 1 1 6 6 ARG N N 6 121.990 121.990 119.273 2.717 19600 672 1 3 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.848 -0.809 19600 673 1 3 . 1 1 6 6 ARG CA C 6 56.539 56.539 54.877 1.662 19600 674 1 3 . 1 1 6 6 ARG CB C 6 30.729 30.729 31.643 -0.914 19600 675 1 3 . 1 1 6 6 ARG H H 6 8.185 8.185 8.321 -0.136 19600 676 1 3 . 1 1 7 7 ARG N N 7 122.520 122.520 118.789 3.731 19600 677 1 3 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.306 -0.296 19600 678 1 3 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.357 0.116 19600 679 1 3 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.636 -0.735 19600 680 1 3 . 1 1 7 7 ARG H H 7 8.237 8.237 8.566 -0.329 19600 681 1 3 . 1 1 8 8 GLU N N 8 121.543 121.543 122.355 -0.812 19600 682 1 3 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.267 -0.248 19600 683 1 3 . 1 1 8 8 GLU CA C 8 56.546 56.546 56.386 0.160 19600 684 1 3 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.064 0.495 19600 685 1 3 . 1 1 8 8 GLU H H 8 7.971 7.971 8.519 -0.548 19600 686 1 3 . 1 1 9 9 ARG N N 9 122.730 122.730 119.145 3.585 19600 687 1 3 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.200 -0.049 19600 688 1 3 . 1 1 9 9 ARG CA C 9 56.395 56.395 57.646 -1.251 19600 689 1 3 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.367 0.586 19600 690 1 3 . 1 1 9 9 ARG H H 9 8.290 8.290 8.177 0.113 19600 691 1 3 . 1 1 10 10 THR N N 10 116.410 116.410 107.942 8.468 19600 692 1 3 . 1 1 10 10 THR HA H 10 4.073 4.073 4.340 -0.267 19600 693 1 3 . 1 1 10 10 THR CA C 10 62.073 62.073 61.176 0.897 19600 694 1 3 . 1 1 10 10 THR CB C 10 70.102 70.102 69.094 1.008 19600 695 1 3 . 1 1 10 10 THR H H 10 8.132 8.132 7.228 0.904 19600 696 1 3 . 1 1 11 11 THR N N 11 117.607 117.607 116.313 1.294 19600 697 1 3 . 1 1 11 11 THR HA H 11 4.101 4.101 4.048 0.053 19600 698 1 3 . 1 1 11 11 THR CA C 11 61.581 61.581 64.781 -3.200 19600 699 1 3 . 1 1 11 11 THR CB C 11 70.193 70.193 68.741 1.452 19600 700 1 3 . 1 1 11 11 THR H H 11 7.868 7.868 8.264 -0.396 19600 701 1 3 . 1 1 12 12 TYR N N 12 122.200 122.200 114.815 7.385 19600 702 1 3 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.796 -0.198 19600 703 1 3 . 1 1 12 12 TYR CA C 12 57.101 57.101 56.254 0.847 19600 704 1 3 . 1 1 12 12 TYR CB C 12 40.517 40.517 38.938 1.579 19600 705 1 3 . 1 1 12 12 TYR H H 12 8.053 8.053 7.158 0.895 19600 706 1 3 . 1 1 13 13 SER N N 13 119.084 119.084 117.710 1.374 19600 707 1 3 . 1 1 13 13 SER HA H 13 4.340 4.340 4.869 -0.529 19600 708 1 3 . 1 1 13 13 SER CA C 13 56.906 56.906 55.526 1.380 19600 709 1 3 . 1 1 13 13 SER CB C 13 65.860 65.860 64.701 1.159 19600 710 1 3 . 1 1 13 13 SER H H 13 8.976 8.976 8.087 0.889 19600 711 1 3 . 1 1 14 14 ARG N N 14 121.463 121.463 121.025 0.438 19600 712 1 3 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.284 -0.534 19600 713 1 3 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.080 1.898 19600 714 1 3 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.182 -0.737 19600 715 1 3 . 1 1 14 14 ARG H H 14 8.824 8.824 8.802 0.022 19600 716 1 3 . 1 1 15 15 GLN N N 15 117.760 117.760 119.232 -1.472 19600 717 1 3 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.865 -0.048 19600 718 1 3 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.378 0.228 19600 719 1 3 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.929 0.301 19600 720 1 3 . 1 1 15 15 GLN H H 15 8.341 8.341 7.518 0.823 19600 721 1 3 . 1 1 16 16 GLN N N 16 117.933 117.933 116.961 0.972 19600 722 1 3 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.977 -0.475 19600 723 1 3 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.643 0.890 19600 724 1 3 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.889 0.541 19600 725 1 3 . 1 1 16 16 GLN H H 16 7.487 7.487 8.497 -1.010 19600 726 1 3 . 1 1 17 17 LEU N N 17 117.025 117.025 115.355 1.670 19600 727 1 3 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.343 -0.971 19600 728 1 3 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.928 1.833 19600 729 1 3 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.775 -0.283 19600 730 1 3 . 1 1 17 17 LEU H H 17 8.070 8.070 7.322 0.748 19600 731 1 3 . 1 1 18 18 GLU N N 18 118.469 118.469 121.403 -2.934 19600 732 1 3 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.129 -0.399 19600 733 1 3 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.628 0.139 19600 734 1 3 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.715 -0.164 19600 735 1 3 . 1 1 18 18 GLU H H 18 7.857 7.857 7.925 -0.068 19600 736 1 3 . 1 1 19 19 ILE N N 19 121.154 121.154 118.841 2.313 19600 737 1 3 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.749 -0.329 19600 738 1 3 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.868 -1.331 19600 739 1 3 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.591 0.100 19600 740 1 3 . 1 1 19 19 ILE H H 19 7.076 7.076 7.708 -0.632 19600 741 1 3 . 1 1 20 20 LEU N N 20 122.911 122.911 117.686 5.225 19600 742 1 3 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.573 -1.249 19600 743 1 3 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.627 2.090 19600 744 1 3 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.272 -1.710 19600 745 1 3 . 1 1 20 20 LEU H H 20 7.600 7.600 7.365 0.235 19600 746 1 3 . 1 1 21 21 GLU N N 21 118.448 118.448 119.813 -1.365 19600 747 1 3 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.109 -0.097 19600 748 1 3 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.460 -0.532 19600 749 1 3 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.885 -0.744 19600 750 1 3 . 1 1 21 21 GLU H H 21 8.354 8.354 8.064 0.290 19600 751 1 3 . 1 1 22 22 THR N N 22 116.336 116.336 113.196 3.140 19600 752 1 3 . 1 1 22 22 THR HA H 22 3.745 3.745 4.314 -0.569 19600 753 1 3 . 1 1 22 22 THR CA C 22 67.433 67.433 65.912 1.521 19600 754 1 3 . 1 1 22 22 THR CB C 22 68.490 68.490 69.541 -1.051 19600 755 1 3 . 1 1 22 22 THR H H 22 7.703 7.703 8.497 -0.794 19600 756 1 3 . 1 1 23 23 LEU N N 23 123.532 123.532 123.198 0.334 19600 757 1 3 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.146 0.053 19600 758 1 3 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.148 0.147 19600 759 1 3 . 1 1 23 23 LEU CB C 23 40.837 40.837 41.996 -1.159 19600 760 1 3 . 1 1 23 23 LEU H H 23 7.501 7.501 7.693 -0.192 19600 761 1 3 . 1 1 24 24 PHE N N 24 120.756 120.756 118.914 1.842 19600 762 1 3 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.223 0.212 19600 763 1 3 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.848 0.484 19600 764 1 3 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.922 0.056 19600 765 1 3 . 1 1 24 24 PHE H H 24 8.708 8.708 8.337 0.371 19600 766 1 3 . 1 1 25 25 ASN N N 25 113.604 113.604 116.073 -2.469 19600 767 1 3 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.303 -0.229 19600 768 1 3 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.985 0.364 19600 769 1 3 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.961 -0.161 19600 770 1 3 . 1 1 25 25 ASN H H 25 7.827 7.827 7.808 0.019 19600 771 1 3 . 1 1 26 26 GLU N N 26 120.985 120.985 119.891 1.094 19600 772 1 3 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.131 -0.160 19600 773 1 3 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.269 0.232 19600 774 1 3 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.299 -0.211 19600 775 1 3 . 1 1 26 26 GLU H H 26 7.532 7.532 8.039 -0.507 19600 776 1 3 . 1 1 27 27 THR N N 27 115.986 115.986 108.314 7.672 19600 777 1 3 . 1 1 27 27 THR HA H 27 4.085 4.085 4.230 -0.145 19600 778 1 3 . 1 1 27 27 THR CA C 27 59.365 59.365 61.523 -2.158 19600 779 1 3 . 1 1 27 27 THR CB C 27 69.151 69.151 69.601 -0.450 19600 780 1 3 . 1 1 27 27 THR H H 27 8.719 8.719 8.083 0.636 19600 781 1 3 . 1 1 28 28 GLN N N 28 122.144 122.144 120.121 2.023 19600 782 1 3 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.439 -0.785 19600 783 1 3 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.750 1.470 19600 784 1 3 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.003 -0.943 19600 785 1 3 . 1 1 28 28 GLN H H 28 7.963 7.963 7.996 -0.033 19600 786 1 3 . 1 1 29 29 TYR N N 29 114.355 114.355 119.830 -5.475 19600 787 1 3 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.972 -0.543 19600 788 1 3 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.306 2.151 19600 789 1 3 . 1 1 29 29 TYR CB C 29 38.997 38.997 38.013 0.984 19600 790 1 3 . 1 1 29 29 TYR H H 29 7.680 7.680 7.704 -0.024 19600 791 1 3 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.366 -0.292 19600 792 1 3 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.125 -0.722 19600 793 1 3 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.885 0.801 19600 794 1 3 . 1 1 31 31 ASP N N 31 123.957 123.957 122.456 1.501 19600 795 1 3 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.849 -0.658 19600 796 1 3 . 1 1 31 31 ASP CA C 31 52.813 52.813 53.124 -0.312 19600 797 1 3 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.812 -3.725 19600 798 1 3 . 1 1 31 31 ASP H H 31 8.496 8.496 7.898 0.598 19600 799 1 3 . 1 1 32 32 VAL N N 32 117.950 117.950 119.062 -1.112 19600 800 1 3 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.668 -0.470 19600 801 1 3 . 1 1 32 32 VAL CA C 32 66.250 66.250 65.957 0.293 19600 802 1 3 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.780 -0.287 19600 803 1 3 . 1 1 32 32 VAL H H 32 8.162 8.162 8.366 -0.204 19600 804 1 3 . 1 1 33 33 PHE N N 33 120.199 120.199 118.404 1.795 19600 805 1 3 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.242 -0.206 19600 806 1 3 . 1 1 33 33 PHE CA C 33 60.514 60.514 60.789 -0.276 19600 807 1 3 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.451 -0.518 19600 808 1 3 . 1 1 33 33 PHE H H 33 6.841 6.841 8.324 -1.483 19600 809 1 3 . 1 1 34 34 ALA N N 34 123.742 123.742 121.404 2.338 19600 810 1 3 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.043 -0.161 19600 811 1 3 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.112 1.030 19600 812 1 3 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.352 -0.793 19600 813 1 3 . 1 1 34 34 ALA H H 34 8.139 8.139 7.997 0.142 19600 814 1 3 . 1 1 35 35 ARG N N 35 116.197 116.197 118.505 -2.308 19600 815 1 3 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.837 -0.283 19600 816 1 3 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.198 1.549 19600 817 1 3 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.616 1.554 19600 818 1 3 . 1 1 35 35 ARG H H 35 8.281 8.281 7.833 0.448 19600 819 1 3 . 1 1 36 36 GLU N N 36 119.133 119.133 118.142 0.991 19600 820 1 3 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.013 -0.316 19600 821 1 3 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.801 0.909 19600 822 1 3 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.483 -0.033 19600 823 1 3 . 1 1 36 36 GLU H H 36 8.382 8.382 8.424 -0.042 19600 824 1 3 . 1 1 37 37 ARG N N 37 119.597 119.597 118.792 0.805 19600 825 1 3 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.220 -0.308 19600 826 1 3 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.790 0.903 19600 827 1 3 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.884 -0.881 19600 828 1 3 . 1 1 37 37 ARG H H 37 7.707 7.707 7.600 0.107 19600 829 1 3 . 1 1 38 38 VAL N N 38 119.099 119.099 116.908 2.191 19600 830 1 3 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.682 0.093 19600 831 1 3 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.832 -0.013 19600 832 1 3 . 1 1 38 38 VAL CB C 38 31.643 31.643 31.304 0.339 19600 833 1 3 . 1 1 38 38 VAL H H 38 7.630 7.630 8.114 -0.484 19600 834 1 3 . 1 1 39 39 ALA N N 39 124.624 124.624 122.489 2.135 19600 835 1 3 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.965 -0.274 19600 836 1 3 . 1 1 39 39 ALA CA C 39 56.414 56.414 54.967 1.447 19600 837 1 3 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.270 -0.020 19600 838 1 3 . 1 1 39 39 ALA H H 39 8.196 8.196 8.045 0.151 19600 839 1 3 . 1 1 40 40 ASP N N 40 115.786 115.786 116.326 -0.540 19600 840 1 3 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.583 -0.386 19600 841 1 3 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.977 0.838 19600 842 1 3 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.113 0.194 19600 843 1 3 . 1 1 40 40 ASP H H 40 7.510 7.510 8.176 -0.666 19600 844 1 3 . 1 1 41 41 GLN N N 41 118.952 118.952 117.850 1.102 19600 845 1 3 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.194 -0.359 19600 846 1 3 . 1 1 41 41 GLN CA C 41 59.319 59.319 58.058 1.261 19600 847 1 3 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.631 -0.066 19600 848 1 3 . 1 1 41 41 GLN H H 41 7.643 7.643 7.864 -0.221 19600 849 1 3 . 1 1 42 42 ILE N N 42 108.381 108.381 110.554 -2.173 19600 850 1 3 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.447 -0.055 19600 851 1 3 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.040 -0.248 19600 852 1 3 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.984 -0.542 19600 853 1 3 . 1 1 42 42 ILE H H 42 8.076 8.076 7.574 0.502 19600 854 1 3 . 1 1 43 43 ARG N N 43 119.055 119.055 118.974 0.081 19600 855 1 3 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.082 -0.344 19600 856 1 3 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.486 0.337 19600 857 1 3 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.573 -1.507 19600 858 1 3 . 1 1 43 43 ARG H H 43 7.588 7.588 7.554 0.034 19600 859 1 3 . 1 1 44 44 LEU N N 44 119.135 119.135 119.655 -0.520 19600 860 1 3 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.735 -0.167 19600 861 1 3 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.240 -0.244 19600 862 1 3 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.146 2.454 19600 863 1 3 . 1 1 44 44 LEU H H 44 7.648 7.648 8.308 -0.660 19600 864 1 3 . 1 1 45 45 GLN N N 45 118.784 118.784 119.594 -0.810 19600 865 1 3 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.255 -0.190 19600 866 1 3 . 1 1 45 45 GLN CA C 45 56.327 56.327 57.014 -0.687 19600 867 1 3 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.764 0.038 19600 868 1 3 . 1 1 45 45 GLN H H 45 8.107 8.107 8.432 -0.325 19600 869 1 3 . 1 1 46 46 GLU N N 46 125.074 125.074 125.412 -0.338 19600 870 1 3 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.022 -0.479 19600 871 1 3 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.397 1.766 19600 872 1 3 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.263 -0.627 19600 873 1 3 . 1 1 46 46 GLU H H 46 9.097 9.097 8.846 0.251 19600 874 1 3 . 1 1 47 47 SER N N 47 113.706 113.706 113.682 0.024 19600 875 1 3 . 1 1 47 47 SER HA H 47 3.828 3.828 4.348 -0.520 19600 876 1 3 . 1 1 47 47 SER CA C 47 61.464 61.464 59.370 2.094 19600 877 1 3 . 1 1 47 47 SER CB C 47 61.867 61.867 62.962 -1.095 19600 878 1 3 . 1 1 47 47 SER H H 47 8.533 8.533 8.172 0.361 19600 879 1 3 . 1 1 48 48 ARG N N 48 121.795 121.795 121.452 0.343 19600 880 1 3 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.209 -0.161 19600 881 1 3 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.245 -0.089 19600 882 1 3 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.727 -0.252 19600 883 1 3 . 1 1 48 48 ARG H H 48 7.153 7.153 7.994 -0.841 19600 884 1 3 . 1 1 49 49 ILE N N 49 121.647 121.647 121.361 0.286 19600 885 1 3 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.978 -0.343 19600 886 1 3 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.543 -0.031 19600 887 1 3 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.924 -1.101 19600 888 1 3 . 1 1 49 49 ILE H H 49 7.613 7.613 8.247 -0.634 19600 889 1 3 . 1 1 50 50 GLN N N 50 118.579 118.579 118.709 -0.130 19600 890 1 3 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.146 -0.013 19600 891 1 3 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.256 1.217 19600 892 1 3 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.303 0.729 19600 893 1 3 . 1 1 50 50 GLN H H 50 8.051 8.051 8.172 -0.121 19600 894 1 3 . 1 1 51 51 VAL N N 51 120.580 120.580 115.696 4.884 19600 895 1 3 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.800 -0.357 19600 896 1 3 . 1 1 51 51 VAL CA C 51 67.087 67.087 64.745 2.342 19600 897 1 3 . 1 1 51 51 VAL CB C 51 32.278 32.278 30.625 1.653 19600 898 1 3 . 1 1 51 51 VAL H H 51 7.372 7.372 7.766 -0.394 19600 899 1 3 . 1 1 52 52 TRP N N 52 121.485 121.485 120.057 1.428 19600 900 1 3 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.539 -0.765 19600 901 1 3 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.681 4.821 19600 902 1 3 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.570 -1.182 19600 903 1 3 . 1 1 52 52 TRP H H 52 8.135 8.135 7.267 0.868 19600 904 1 3 . 1 1 53 53 PHE N N 53 118.122 118.122 121.016 -2.894 19600 905 1 3 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.212 -0.791 19600 906 1 3 . 1 1 53 53 PHE CA C 53 63.987 63.987 59.815 4.172 19600 907 1 3 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.970 0.382 19600 908 1 3 . 1 1 53 53 PHE H H 53 8.764 8.764 8.470 0.294 19600 909 1 3 . 1 1 54 54 LYS N N 54 120.838 120.838 118.451 2.387 19600 910 1 3 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.849 -0.134 19600 911 1 3 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.166 3.511 19600 912 1 3 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.400 -0.209 19600 913 1 3 . 1 1 54 54 LYS H H 54 7.947 7.947 7.617 0.330 19600 914 1 3 . 1 1 55 55 ASN N N 55 118.986 118.986 119.797 -0.811 19600 915 1 3 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.385 -0.264 19600 916 1 3 . 1 1 55 55 ASN CA C 55 55.695 55.695 57.239 -1.544 19600 917 1 3 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.630 -0.889 19600 918 1 3 . 1 1 55 55 ASN H H 55 7.953 7.953 8.428 -0.475 19600 919 1 3 . 1 1 56 56 ARG N N 56 124.991 124.991 119.326 5.665 19600 920 1 3 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.125 -0.843 19600 921 1 3 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.895 -1.046 19600 922 1 3 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.266 -2.594 19600 923 1 3 . 1 1 56 56 ARG H H 56 8.263 8.263 8.249 0.014 19600 924 1 3 . 1 1 57 57 ARG N N 57 120.173 120.173 119.717 0.456 19600 925 1 3 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.450 0.339 19600 926 1 3 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.380 2.799 19600 927 1 3 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.466 2.059 19600 928 1 3 . 1 1 57 57 ARG H H 57 8.343 8.343 7.633 0.710 19600 929 1 3 . 1 1 58 58 ALA N N 58 121.602 121.602 119.304 2.298 19600 930 1 3 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.479 -0.568 19600 931 1 3 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.762 1.579 19600 932 1 3 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.145 -1.369 19600 933 1 3 . 1 1 58 58 ALA H H 58 7.179 7.179 8.081 -0.902 19600 934 1 3 . 1 1 59 59 LYS N N 59 119.515 119.515 120.812 -1.297 19600 935 1 3 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.991 -0.261 19600 936 1 3 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.379 0.946 19600 937 1 3 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.789 0.784 19600 938 1 3 . 1 1 59 59 LYS H H 59 7.463 7.463 7.665 -0.202 19600 939 1 3 . 1 1 60 60 TYR N N 60 120.152 120.152 119.252 0.900 19600 940 1 3 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.069 0.091 19600 941 1 3 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.822 1.192 19600 942 1 3 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.335 1.475 19600 943 1 3 . 1 1 60 60 TYR H H 60 7.874 7.874 7.869 0.005 19600 944 1 3 . 1 1 61 61 ARG N N 61 118.122 118.122 118.528 -0.406 19600 945 1 3 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.544 0.287 19600 946 1 3 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.568 1.631 19600 947 1 3 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.419 0.891 19600 948 1 3 . 1 1 61 61 ARG H H 61 7.943 7.943 7.507 0.436 19600 949 1 3 . 1 1 62 62 LEU N N 62 119.191 119.191 119.791 -0.600 19600 950 1 3 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.016 -0.086 19600 951 1 3 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.809 -0.689 19600 952 1 3 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.480 0.629 19600 953 1 3 . 1 1 62 62 LEU H H 62 7.407 7.407 7.559 -0.152 19600 954 1 3 . 1 1 63 63 GLN N N 63 118.201 118.201 116.966 1.235 19600 955 1 3 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.014 -0.141 19600 956 1 3 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.362 -1.024 19600 957 1 3 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.001 0.870 19600 958 1 3 . 1 1 63 63 GLN H H 63 7.676 7.676 8.310 -0.634 19600 959 1 3 . 1 1 64 64 GLU N N 64 120.152 120.152 119.614 0.538 19600 960 1 3 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.917 -0.117 19600 961 1 3 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.065 -1.562 19600 962 1 3 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.530 0.657 19600 963 1 3 . 1 1 64 64 GLU H H 64 7.808 7.808 7.673 0.135 19600 964 1 3 . 1 1 65 65 LYS N N 65 120.364 120.364 115.104 5.260 19600 965 1 3 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.287 -0.301 19600 966 1 3 . 1 1 65 65 LYS CA C 65 56.871 56.871 57.288 -0.417 19600 967 1 3 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.504 -0.031 19600 968 1 3 . 1 1 65 65 LYS H H 65 7.695 7.695 7.321 0.374 19600 969 1 3 . 1 1 66 66 GLN N N 66 120.265 120.265 120.031 0.234 19600 970 1 3 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.191 -0.163 19600 971 1 3 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.997 -2.201 19600 972 1 3 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.380 -0.081 19600 973 1 3 . 1 1 66 66 GLN H H 66 7.906 7.906 7.722 0.184 19600 974 1 3 . 1 1 67 67 LYS N N 67 124.357 124.357 119.865 4.492 19600 975 1 3 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.764 -0.448 19600 976 1 3 . 1 1 67 67 LYS CA C 67 54.596 54.596 53.458 1.138 19600 977 1 3 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.411 0.046 19600 978 1 3 . 1 1 67 67 LYS H H 67 7.963 7.963 7.909 0.054 19600 979 1 4 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.583 -0.349 19600 980 1 4 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.662 0.554 19600 981 1 4 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.465 2.101 19600 982 1 4 . 1 1 3 3 ARG N N 3 122.101 122.101 121.746 0.355 19600 983 1 4 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.244 -0.193 19600 984 1 4 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.265 0.243 19600 985 1 4 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.168 -1.426 19600 986 1 4 . 1 1 3 3 ARG H H 3 8.377 8.377 8.096 0.281 19600 987 1 4 . 1 1 4 4 LYS N N 4 123.421 123.421 123.891 -0.470 19600 988 1 4 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.451 -0.431 19600 989 1 4 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.160 -0.578 19600 990 1 4 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.250 -0.048 19600 991 1 4 . 1 1 4 4 LYS H H 4 8.278 8.278 8.653 -0.375 19600 992 1 4 . 1 1 5 5 ASN N N 5 120.133 120.133 116.103 4.030 19600 993 1 4 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.815 -0.395 19600 994 1 4 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.714 -0.342 19600 995 1 4 . 1 1 5 5 ASN CB C 5 38.896 38.896 40.697 -1.801 19600 996 1 4 . 1 1 5 5 ASN H H 5 8.318 8.318 8.349 -0.031 19600 997 1 4 . 1 1 6 6 ARG N N 6 121.990 121.990 119.636 2.354 19600 998 1 4 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.353 -0.314 19600 999 1 4 . 1 1 6 6 ARG CA C 6 56.539 56.539 55.877 0.662 19600 1000 1 4 . 1 1 6 6 ARG CB C 6 30.729 30.729 31.166 -0.437 19600 1001 1 4 . 1 1 6 6 ARG H H 6 8.185 8.185 8.167 0.018 19600 1002 1 4 . 1 1 7 7 ARG N N 7 122.520 122.520 119.352 3.168 19600 1003 1 4 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.064 -0.054 19600 1004 1 4 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.859 -0.386 19600 1005 1 4 . 1 1 7 7 ARG CB C 7 30.901 30.901 28.939 1.962 19600 1006 1 4 . 1 1 7 7 ARG H H 7 8.237 8.237 8.598 -0.361 19600 1007 1 4 . 1 1 8 8 GLU N N 8 121.543 121.543 117.519 4.024 19600 1008 1 4 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.127 -0.108 19600 1009 1 4 . 1 1 8 8 GLU CA C 8 56.546 56.546 54.117 2.429 19600 1010 1 4 . 1 1 8 8 GLU CB C 8 30.559 30.559 31.149 -0.590 19600 1011 1 4 . 1 1 8 8 GLU H H 8 7.971 7.971 7.777 0.194 19600 1012 1 4 . 1 1 9 9 ARG N N 9 122.730 122.730 119.357 3.373 19600 1013 1 4 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.069 0.082 19600 1014 1 4 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.433 -2.038 19600 1015 1 4 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.672 0.281 19600 1016 1 4 . 1 1 9 9 ARG H H 9 8.290 8.290 8.409 -0.119 19600 1017 1 4 . 1 1 10 10 THR N N 10 116.410 116.410 106.770 9.640 19600 1018 1 4 . 1 1 10 10 THR HA H 10 4.073 4.073 4.329 -0.256 19600 1019 1 4 . 1 1 10 10 THR CA C 10 62.073 62.073 60.919 1.154 19600 1020 1 4 . 1 1 10 10 THR CB C 10 70.102 70.102 69.287 0.815 19600 1021 1 4 . 1 1 10 10 THR H H 10 8.132 8.132 7.341 0.791 19600 1022 1 4 . 1 1 11 11 THR N N 11 117.607 117.607 112.875 4.732 19600 1023 1 4 . 1 1 11 11 THR HA H 11 4.101 4.101 3.941 0.160 19600 1024 1 4 . 1 1 11 11 THR CA C 11 61.581 61.581 64.174 -2.593 19600 1025 1 4 . 1 1 11 11 THR CB C 11 70.193 70.193 68.983 1.210 19600 1026 1 4 . 1 1 11 11 THR H H 11 7.868 7.868 8.333 -0.465 19600 1027 1 4 . 1 1 12 12 TYR N N 12 122.200 122.200 119.436 2.764 19600 1028 1 4 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.652 -0.054 19600 1029 1 4 . 1 1 12 12 TYR CA C 12 57.101 57.101 57.668 -0.567 19600 1030 1 4 . 1 1 12 12 TYR CB C 12 40.517 40.517 41.109 -0.593 19600 1031 1 4 . 1 1 12 12 TYR H H 12 8.053 8.053 7.629 0.424 19600 1032 1 4 . 1 1 13 13 SER N N 13 119.084 119.084 117.929 1.155 19600 1033 1 4 . 1 1 13 13 SER HA H 13 4.340 4.340 4.986 -0.646 19600 1034 1 4 . 1 1 13 13 SER CA C 13 56.906 56.906 56.699 0.207 19600 1035 1 4 . 1 1 13 13 SER CB C 13 65.860 65.860 65.348 0.512 19600 1036 1 4 . 1 1 13 13 SER H H 13 8.976 8.976 8.722 0.254 19600 1037 1 4 . 1 1 14 14 ARG N N 14 121.463 121.463 122.177 -0.714 19600 1038 1 4 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.311 -0.561 19600 1039 1 4 . 1 1 14 14 ARG CA C 14 59.978 59.978 57.981 1.997 19600 1040 1 4 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.150 -0.705 19600 1041 1 4 . 1 1 14 14 ARG H H 14 8.824 8.824 8.845 -0.021 19600 1042 1 4 . 1 1 15 15 GLN N N 15 117.760 117.760 119.269 -1.509 19600 1043 1 4 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.995 -0.178 19600 1044 1 4 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.097 0.509 19600 1045 1 4 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.691 0.539 19600 1046 1 4 . 1 1 15 15 GLN H H 15 8.341 8.341 7.818 0.523 19600 1047 1 4 . 1 1 16 16 GLN N N 16 117.933 117.933 117.269 0.664 19600 1048 1 4 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.063 -0.561 19600 1049 1 4 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.334 1.199 19600 1050 1 4 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.012 0.418 19600 1051 1 4 . 1 1 16 16 GLN H H 16 7.487 7.487 8.413 -0.926 19600 1052 1 4 . 1 1 17 17 LEU N N 17 117.025 117.025 116.527 0.498 19600 1053 1 4 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.388 -1.016 19600 1054 1 4 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.712 2.050 19600 1055 1 4 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.188 -0.696 19600 1056 1 4 . 1 1 17 17 LEU H H 17 8.070 8.070 7.691 0.379 19600 1057 1 4 . 1 1 18 18 GLU N N 18 118.469 118.469 121.417 -2.948 19600 1058 1 4 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.130 -0.400 19600 1059 1 4 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.532 0.235 19600 1060 1 4 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.740 -0.189 19600 1061 1 4 . 1 1 18 18 GLU H H 18 7.857 7.857 7.938 -0.081 19600 1062 1 4 . 1 1 19 19 ILE N N 19 121.154 121.154 118.906 2.248 19600 1063 1 4 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.752 -0.332 19600 1064 1 4 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.871 -1.334 19600 1065 1 4 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.615 0.076 19600 1066 1 4 . 1 1 19 19 ILE H H 19 7.076 7.076 7.720 -0.644 19600 1067 1 4 . 1 1 20 20 LEU N N 20 122.911 122.911 117.200 5.711 19600 1068 1 4 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.561 -1.237 19600 1069 1 4 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.709 2.008 19600 1070 1 4 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.185 -1.623 19600 1071 1 4 . 1 1 20 20 LEU H H 20 7.600 7.600 7.311 0.289 19600 1072 1 4 . 1 1 21 21 GLU N N 21 118.448 118.448 120.269 -1.821 19600 1073 1 4 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.152 -0.140 19600 1074 1 4 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.474 -0.546 19600 1075 1 4 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.659 -0.518 19600 1076 1 4 . 1 1 21 21 GLU H H 21 8.354 8.354 7.996 0.358 19600 1077 1 4 . 1 1 22 22 THR N N 22 116.336 116.336 113.387 2.949 19600 1078 1 4 . 1 1 22 22 THR HA H 22 3.745 3.745 4.325 -0.580 19600 1079 1 4 . 1 1 22 22 THR CA C 22 67.433 67.433 65.882 1.551 19600 1080 1 4 . 1 1 22 22 THR CB C 22 68.490 68.490 69.199 -0.709 19600 1081 1 4 . 1 1 22 22 THR H H 22 7.703 7.703 8.473 -0.769 19600 1082 1 4 . 1 1 23 23 LEU N N 23 123.532 123.532 122.934 0.598 19600 1083 1 4 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.145 0.054 19600 1084 1 4 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.120 0.175 19600 1085 1 4 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.042 -1.205 19600 1086 1 4 . 1 1 23 23 LEU H H 23 7.501 7.501 7.668 -0.167 19600 1087 1 4 . 1 1 24 24 PHE N N 24 120.756 120.756 118.787 1.969 19600 1088 1 4 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.213 0.222 19600 1089 1 4 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.812 0.520 19600 1090 1 4 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.928 0.050 19600 1091 1 4 . 1 1 24 24 PHE H H 24 8.708 8.708 8.308 0.400 19600 1092 1 4 . 1 1 25 25 ASN N N 25 113.604 113.604 116.146 -2.542 19600 1093 1 4 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.290 -0.216 19600 1094 1 4 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.956 0.392 19600 1095 1 4 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.330 -0.530 19600 1096 1 4 . 1 1 25 25 ASN H H 25 7.827 7.827 7.810 0.017 19600 1097 1 4 . 1 1 26 26 GLU N N 26 120.985 120.985 119.725 1.260 19600 1098 1 4 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.128 -0.157 19600 1099 1 4 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.448 0.053 19600 1100 1 4 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.247 -0.159 19600 1101 1 4 . 1 1 26 26 GLU H H 26 7.532 7.532 8.089 -0.557 19600 1102 1 4 . 1 1 27 27 THR N N 27 115.986 115.986 107.793 8.193 19600 1103 1 4 . 1 1 27 27 THR HA H 27 4.085 4.085 4.241 -0.156 19600 1104 1 4 . 1 1 27 27 THR CA C 27 59.365 59.365 61.081 -1.716 19600 1105 1 4 . 1 1 27 27 THR CB C 27 69.151 69.151 69.527 -0.376 19600 1106 1 4 . 1 1 27 27 THR H H 27 8.719 8.719 7.857 0.862 19600 1107 1 4 . 1 1 28 28 GLN N N 28 122.144 122.144 119.235 2.909 19600 1108 1 4 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.485 -0.831 19600 1109 1 4 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.379 1.841 19600 1110 1 4 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.320 -1.260 19600 1111 1 4 . 1 1 28 28 GLN H H 28 7.963 7.963 8.099 -0.136 19600 1112 1 4 . 1 1 29 29 TYR N N 29 114.355 114.355 120.128 -5.773 19600 1113 1 4 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.910 -0.481 19600 1114 1 4 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.227 2.230 19600 1115 1 4 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.975 1.022 19600 1116 1 4 . 1 1 29 29 TYR H H 29 7.680 7.680 7.660 0.020 19600 1117 1 4 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.359 -0.285 19600 1118 1 4 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.119 -0.716 19600 1119 1 4 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.980 0.706 19600 1120 1 4 . 1 1 31 31 ASP N N 31 123.957 123.957 122.874 1.083 19600 1121 1 4 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.827 -0.636 19600 1122 1 4 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.837 -0.024 19600 1123 1 4 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.929 -3.842 19600 1124 1 4 . 1 1 31 31 ASP H H 31 8.496 8.496 8.059 0.437 19600 1125 1 4 . 1 1 32 32 VAL N N 32 117.950 117.950 119.410 -1.460 19600 1126 1 4 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.696 -0.498 19600 1127 1 4 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.495 -0.245 19600 1128 1 4 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.444 0.049 19600 1129 1 4 . 1 1 32 32 VAL H H 32 8.162 8.162 8.445 -0.283 19600 1130 1 4 . 1 1 33 33 PHE N N 33 120.199 120.199 120.287 -0.088 19600 1131 1 4 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.250 -0.214 19600 1132 1 4 . 1 1 33 33 PHE CA C 33 60.514 60.514 60.853 -0.339 19600 1133 1 4 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.556 -0.623 19600 1134 1 4 . 1 1 33 33 PHE H H 33 6.841 6.841 8.521 -1.680 19600 1135 1 4 . 1 1 34 34 ALA N N 34 123.742 123.742 122.998 0.744 19600 1136 1 4 . 1 1 34 34 ALA HA H 34 3.882 3.882 3.972 -0.090 19600 1137 1 4 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.554 0.588 19600 1138 1 4 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.471 -0.912 19600 1139 1 4 . 1 1 34 34 ALA H H 34 8.139 8.139 8.206 -0.067 19600 1140 1 4 . 1 1 35 35 ARG N N 35 116.197 116.197 118.387 -2.190 19600 1141 1 4 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.803 -0.249 19600 1142 1 4 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.184 1.562 19600 1143 1 4 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.574 1.596 19600 1144 1 4 . 1 1 35 35 ARG H H 35 8.281 8.281 7.885 0.396 19600 1145 1 4 . 1 1 36 36 GLU N N 36 119.133 119.133 118.111 1.022 19600 1146 1 4 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.000 -0.303 19600 1147 1 4 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.653 1.057 19600 1148 1 4 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.494 -0.043 19600 1149 1 4 . 1 1 36 36 GLU H H 36 8.382 8.382 8.424 -0.042 19600 1150 1 4 . 1 1 37 37 ARG N N 37 119.597 119.597 118.961 0.636 19600 1151 1 4 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.143 -0.231 19600 1152 1 4 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.830 0.863 19600 1153 1 4 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.707 -0.704 19600 1154 1 4 . 1 1 37 37 ARG H H 37 7.707 7.707 7.551 0.156 19600 1155 1 4 . 1 1 38 38 VAL N N 38 119.099 119.099 118.234 0.865 19600 1156 1 4 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.724 0.051 19600 1157 1 4 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.382 0.437 19600 1158 1 4 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.345 1.298 19600 1159 1 4 . 1 1 38 38 VAL H H 38 7.630 7.630 8.085 -0.455 19600 1160 1 4 . 1 1 39 39 ALA N N 39 124.624 124.624 122.808 1.816 19600 1161 1 4 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.983 -0.292 19600 1162 1 4 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.105 1.309 19600 1163 1 4 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.313 -0.063 19600 1164 1 4 . 1 1 39 39 ALA H H 39 8.196 8.196 7.912 0.284 19600 1165 1 4 . 1 1 40 40 ASP N N 40 115.786 115.786 116.054 -0.268 19600 1166 1 4 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.678 -0.481 19600 1167 1 4 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.742 1.073 19600 1168 1 4 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.129 0.178 19600 1169 1 4 . 1 1 40 40 ASP H H 40 7.510 7.510 8.181 -0.671 19600 1170 1 4 . 1 1 41 41 GLN N N 41 118.952 118.952 118.157 0.795 19600 1171 1 4 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.227 -0.392 19600 1172 1 4 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.916 1.403 19600 1173 1 4 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.459 0.106 19600 1174 1 4 . 1 1 41 41 GLN H H 41 7.643 7.643 7.785 -0.142 19600 1175 1 4 . 1 1 42 42 ILE N N 42 108.381 108.381 112.291 -3.910 19600 1176 1 4 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.425 -0.033 19600 1177 1 4 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.112 -0.320 19600 1178 1 4 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.630 -0.188 19600 1179 1 4 . 1 1 42 42 ILE H H 42 8.076 8.076 7.570 0.506 19600 1180 1 4 . 1 1 43 43 ARG N N 43 119.055 119.055 118.582 0.473 19600 1181 1 4 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.067 -0.329 19600 1182 1 4 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.487 0.336 19600 1183 1 4 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.907 -1.841 19600 1184 1 4 . 1 1 43 43 ARG H H 43 7.588 7.588 7.616 -0.028 19600 1185 1 4 . 1 1 44 44 LEU N N 44 119.135 119.135 119.062 0.073 19600 1186 1 4 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.687 -0.119 19600 1187 1 4 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.412 -0.416 19600 1188 1 4 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.419 2.181 19600 1189 1 4 . 1 1 44 44 LEU H H 44 7.648 7.648 8.383 -0.735 19600 1190 1 4 . 1 1 45 45 GLN N N 45 118.784 118.784 120.244 -1.460 19600 1191 1 4 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.300 -0.235 19600 1192 1 4 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.542 -0.215 19600 1193 1 4 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.534 0.268 19600 1194 1 4 . 1 1 45 45 GLN H H 45 8.107 8.107 8.434 -0.327 19600 1195 1 4 . 1 1 46 46 GLU N N 46 125.074 125.074 124.434 0.640 19600 1196 1 4 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.052 -0.509 19600 1197 1 4 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.242 1.921 19600 1198 1 4 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.305 -0.669 19600 1199 1 4 . 1 1 46 46 GLU H H 46 9.097 9.097 8.818 0.279 19600 1200 1 4 . 1 1 47 47 SER N N 47 113.706 113.706 114.060 -0.354 19600 1201 1 4 . 1 1 47 47 SER HA H 47 3.828 3.828 4.351 -0.523 19600 1202 1 4 . 1 1 47 47 SER CA C 47 61.464 61.464 60.130 1.334 19600 1203 1 4 . 1 1 47 47 SER CB C 47 61.867 61.867 63.228 -1.361 19600 1204 1 4 . 1 1 47 47 SER H H 47 8.533 8.533 8.078 0.455 19600 1205 1 4 . 1 1 48 48 ARG N N 48 121.795 121.795 121.615 0.180 19600 1206 1 4 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.137 -0.089 19600 1207 1 4 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.931 0.225 19600 1208 1 4 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.984 -0.509 19600 1209 1 4 . 1 1 48 48 ARG H H 48 7.153 7.153 7.789 -0.636 19600 1210 1 4 . 1 1 49 49 ILE N N 49 121.647 121.647 121.072 0.575 19600 1211 1 4 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.861 -0.226 19600 1212 1 4 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.336 0.177 19600 1213 1 4 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.805 -0.982 19600 1214 1 4 . 1 1 49 49 ILE H H 49 7.613 7.613 8.053 -0.440 19600 1215 1 4 . 1 1 50 50 GLN N N 50 118.579 118.579 118.146 0.433 19600 1216 1 4 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.104 0.029 19600 1217 1 4 . 1 1 50 50 GLN CA C 50 60.473 60.473 58.746 1.727 19600 1218 1 4 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.507 0.525 19600 1219 1 4 . 1 1 50 50 GLN H H 50 8.051 8.051 8.219 -0.168 19600 1220 1 4 . 1 1 51 51 VAL N N 51 120.580 120.580 114.418 6.162 19600 1221 1 4 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.875 -0.432 19600 1222 1 4 . 1 1 51 51 VAL CA C 51 67.087 67.087 64.859 2.228 19600 1223 1 4 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.285 0.993 19600 1224 1 4 . 1 1 51 51 VAL H H 51 7.372 7.372 7.773 -0.401 19600 1225 1 4 . 1 1 52 52 TRP N N 52 121.485 121.485 119.918 1.567 19600 1226 1 4 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.596 -0.822 19600 1227 1 4 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.088 5.414 19600 1228 1 4 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.835 -1.447 19600 1229 1 4 . 1 1 52 52 TRP H H 52 8.135 8.135 6.923 1.212 19600 1230 1 4 . 1 1 53 53 PHE N N 53 118.122 118.122 121.251 -3.129 19600 1231 1 4 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.183 -0.762 19600 1232 1 4 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.030 3.957 19600 1233 1 4 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.014 0.338 19600 1234 1 4 . 1 1 53 53 PHE H H 53 8.764 8.764 8.425 0.339 19600 1235 1 4 . 1 1 54 54 LYS N N 54 120.838 120.838 118.366 2.472 19600 1236 1 4 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.845 -0.130 19600 1237 1 4 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.030 3.647 19600 1238 1 4 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.400 -0.209 19600 1239 1 4 . 1 1 54 54 LYS H H 54 7.947 7.947 7.628 0.319 19600 1240 1 4 . 1 1 55 55 ASN N N 55 118.986 118.986 119.673 -0.687 19600 1241 1 4 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.367 -0.246 19600 1242 1 4 . 1 1 55 55 ASN CA C 55 55.695 55.695 57.079 -1.384 19600 1243 1 4 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.555 -0.815 19600 1244 1 4 . 1 1 55 55 ASN H H 55 7.953 7.953 8.432 -0.479 19600 1245 1 4 . 1 1 56 56 ARG N N 56 124.991 124.991 119.523 5.468 19600 1246 1 4 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.135 -0.853 19600 1247 1 4 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.850 -1.002 19600 1248 1 4 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.279 -2.607 19600 1249 1 4 . 1 1 56 56 ARG H H 56 8.263 8.263 8.170 0.093 19600 1250 1 4 . 1 1 57 57 ARG N N 57 120.173 120.173 119.206 0.967 19600 1251 1 4 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.416 0.373 19600 1252 1 4 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.296 2.883 19600 1253 1 4 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.268 2.257 19600 1254 1 4 . 1 1 57 57 ARG H H 57 8.343 8.343 7.594 0.749 19600 1255 1 4 . 1 1 58 58 ALA N N 58 121.602 121.602 119.644 1.958 19600 1256 1 4 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.525 -0.614 19600 1257 1 4 . 1 1 58 58 ALA CA C 58 55.341 55.341 54.067 1.274 19600 1258 1 4 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.075 -1.299 19600 1259 1 4 . 1 1 58 58 ALA H H 58 7.179 7.179 7.881 -0.702 19600 1260 1 4 . 1 1 59 59 LYS N N 59 119.515 119.515 120.363 -0.848 19600 1261 1 4 . 1 1 59 59 LYS HA H 59 3.730 3.730 4.016 -0.286 19600 1262 1 4 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.658 0.667 19600 1263 1 4 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.586 0.987 19600 1264 1 4 . 1 1 59 59 LYS H H 59 7.463 7.463 7.565 -0.102 19600 1265 1 4 . 1 1 60 60 TYR N N 60 120.152 120.152 118.740 1.412 19600 1266 1 4 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.050 0.110 19600 1267 1 4 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.961 1.053 19600 1268 1 4 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.392 1.418 19600 1269 1 4 . 1 1 60 60 TYR H H 60 7.874 7.874 7.821 0.053 19600 1270 1 4 . 1 1 61 61 ARG N N 61 118.122 118.122 118.873 -0.751 19600 1271 1 4 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.488 0.343 19600 1272 1 4 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.856 1.343 19600 1273 1 4 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.963 0.347 19600 1274 1 4 . 1 1 61 61 ARG H H 61 7.943 7.943 7.528 0.415 19600 1275 1 4 . 1 1 62 62 LEU N N 62 119.191 119.191 120.015 -0.824 19600 1276 1 4 . 1 1 62 62 LEU HA H 62 3.930 3.930 3.924 0.006 19600 1277 1 4 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.501 -0.380 19600 1278 1 4 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.920 0.189 19600 1279 1 4 . 1 1 62 62 LEU H H 62 7.407 7.407 7.681 -0.274 19600 1280 1 4 . 1 1 63 63 GLN N N 63 118.201 118.201 116.152 2.049 19600 1281 1 4 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.026 -0.153 19600 1282 1 4 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.193 -0.855 19600 1283 1 4 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.238 0.632 19600 1284 1 4 . 1 1 63 63 GLN H H 63 7.676 7.676 7.946 -0.270 19600 1285 1 4 . 1 1 64 64 GLU N N 64 120.152 120.152 122.862 -2.710 19600 1286 1 4 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.006 -0.206 19600 1287 1 4 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.154 -1.651 19600 1288 1 4 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.547 0.640 19600 1289 1 4 . 1 1 64 64 GLU H H 64 7.808 7.808 7.601 0.207 19600 1290 1 4 . 1 1 65 65 LYS N N 65 120.364 120.364 116.012 4.352 19600 1291 1 4 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.053 -0.067 19600 1292 1 4 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.421 -1.550 19600 1293 1 4 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.814 0.659 19600 1294 1 4 . 1 1 65 65 LYS H H 65 7.695 7.695 7.594 0.101 19600 1295 1 4 . 1 1 66 66 GLN N N 66 120.265 120.265 118.924 1.341 19600 1296 1 4 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.154 -0.126 19600 1297 1 4 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.673 -1.877 19600 1298 1 4 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.165 0.134 19600 1299 1 4 . 1 1 66 66 GLN H H 66 7.906 7.906 7.599 0.307 19600 1300 1 4 . 1 1 67 67 LYS N N 67 124.357 124.357 119.607 4.750 19600 1301 1 4 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.364 -0.048 19600 1302 1 4 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.365 -0.769 19600 1303 1 4 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.622 -0.165 19600 1304 1 4 . 1 1 67 67 LYS H H 67 7.963 7.963 8.066 -0.103 19600 1305 1 5 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.464 -0.230 19600 1306 1 5 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.249 -0.034 19600 1307 1 5 . 1 1 2 2 PRO CB C 2 32.566 32.566 29.684 2.882 19600 1308 1 5 . 1 1 3 3 ARG N N 3 122.101 122.101 116.816 5.285 19600 1309 1 5 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.494 -0.443 19600 1310 1 5 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.911 0.597 19600 1311 1 5 . 1 1 3 3 ARG CB C 3 30.742 30.742 31.329 -0.587 19600 1312 1 5 . 1 1 3 3 ARG H H 3 8.377 8.377 8.330 0.047 19600 1313 1 5 . 1 1 4 4 LYS N N 4 123.421 123.421 122.793 0.628 19600 1314 1 5 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.471 -0.451 19600 1315 1 5 . 1 1 4 4 LYS CA C 4 56.582 56.582 56.866 -0.284 19600 1316 1 5 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.216 -0.014 19600 1317 1 5 . 1 1 4 4 LYS H H 4 8.278 8.278 9.243 -0.965 19600 1318 1 5 . 1 1 5 5 ASN N N 5 120.133 120.133 115.714 4.419 19600 1319 1 5 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.832 -0.412 19600 1320 1 5 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.871 -0.499 19600 1321 1 5 . 1 1 5 5 ASN CB C 5 38.896 38.896 40.957 -2.061 19600 1322 1 5 . 1 1 5 5 ASN H H 5 8.318 8.318 8.708 -0.390 19600 1323 1 5 . 1 1 6 6 ARG N N 6 121.990 121.990 118.329 3.661 19600 1324 1 5 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.379 -0.340 19600 1325 1 5 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.159 0.380 19600 1326 1 5 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.997 -0.268 19600 1327 1 5 . 1 1 6 6 ARG H H 6 8.185 8.185 8.232 -0.047 19600 1328 1 5 . 1 1 7 7 ARG N N 7 122.520 122.520 122.864 -0.344 19600 1329 1 5 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.307 -0.297 19600 1330 1 5 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.889 -0.416 19600 1331 1 5 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.434 -0.533 19600 1332 1 5 . 1 1 7 7 ARG H H 7 8.237 8.237 8.434 -0.197 19600 1333 1 5 . 1 1 8 8 GLU N N 8 121.543 121.543 118.181 3.362 19600 1334 1 5 . 1 1 8 8 GLU HA H 8 4.019 4.019 3.797 0.222 19600 1335 1 5 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.210 1.336 19600 1336 1 5 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.685 -0.126 19600 1337 1 5 . 1 1 8 8 GLU H H 8 7.971 7.971 8.084 -0.113 19600 1338 1 5 . 1 1 9 9 ARG N N 9 122.730 122.730 119.616 3.114 19600 1339 1 5 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.039 0.112 19600 1340 1 5 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.388 -1.993 19600 1341 1 5 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.466 0.487 19600 1342 1 5 . 1 1 9 9 ARG H H 9 8.290 8.290 8.548 -0.258 19600 1343 1 5 . 1 1 10 10 THR N N 10 116.410 116.410 106.733 9.677 19600 1344 1 5 . 1 1 10 10 THR HA H 10 4.073 4.073 4.337 -0.264 19600 1345 1 5 . 1 1 10 10 THR CA C 10 62.073 62.073 60.742 1.331 19600 1346 1 5 . 1 1 10 10 THR CB C 10 70.102 70.102 69.088 1.014 19600 1347 1 5 . 1 1 10 10 THR H H 10 8.132 8.132 7.300 0.832 19600 1348 1 5 . 1 1 11 11 THR N N 11 117.607 117.607 112.660 4.947 19600 1349 1 5 . 1 1 11 11 THR HA H 11 4.101 4.101 3.920 0.181 19600 1350 1 5 . 1 1 11 11 THR CA C 11 61.581 61.581 64.610 -3.029 19600 1351 1 5 . 1 1 11 11 THR CB C 11 70.193 70.193 69.095 1.098 19600 1352 1 5 . 1 1 11 11 THR H H 11 7.868 7.868 8.245 -0.377 19600 1353 1 5 . 1 1 12 12 TYR N N 12 122.200 122.200 120.021 2.179 19600 1354 1 5 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.597 0.001 19600 1355 1 5 . 1 1 12 12 TYR CA C 12 57.101 57.101 57.836 -0.735 19600 1356 1 5 . 1 1 12 12 TYR CB C 12 40.517 40.517 41.095 -0.578 19600 1357 1 5 . 1 1 12 12 TYR H H 12 8.053 8.053 7.665 0.388 19600 1358 1 5 . 1 1 13 13 SER N N 13 119.084 119.084 118.976 0.108 19600 1359 1 5 . 1 1 13 13 SER HA H 13 4.340 4.340 4.983 -0.643 19600 1360 1 5 . 1 1 13 13 SER CA C 13 56.906 56.906 56.389 0.517 19600 1361 1 5 . 1 1 13 13 SER CB C 13 65.860 65.860 66.259 -0.399 19600 1362 1 5 . 1 1 13 13 SER H H 13 8.976 8.976 8.305 0.671 19600 1363 1 5 . 1 1 14 14 ARG N N 14 121.463 121.463 120.158 1.305 19600 1364 1 5 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.296 -0.546 19600 1365 1 5 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.363 1.615 19600 1366 1 5 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.097 -0.652 19600 1367 1 5 . 1 1 14 14 ARG H H 14 8.824 8.824 8.988 -0.164 19600 1368 1 5 . 1 1 15 15 GLN N N 15 117.760 117.760 118.595 -0.835 19600 1369 1 5 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.927 -0.110 19600 1370 1 5 . 1 1 15 15 GLN CA C 15 59.606 59.606 60.275 -0.669 19600 1371 1 5 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.695 0.535 19600 1372 1 5 . 1 1 15 15 GLN H H 15 8.341 8.341 8.655 -0.314 19600 1373 1 5 . 1 1 16 16 GLN N N 16 117.933 117.933 116.572 1.361 19600 1374 1 5 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.978 -0.476 19600 1375 1 5 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.611 0.922 19600 1376 1 5 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.032 0.398 19600 1377 1 5 . 1 1 16 16 GLN H H 16 7.487 7.487 8.370 -0.883 19600 1378 1 5 . 1 1 17 17 LEU N N 17 117.025 117.025 116.312 0.713 19600 1379 1 5 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.283 -0.911 19600 1380 1 5 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.792 1.969 19600 1381 1 5 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.903 -0.410 19600 1382 1 5 . 1 1 17 17 LEU H H 17 8.070 8.070 7.676 0.394 19600 1383 1 5 . 1 1 18 18 GLU N N 18 118.469 118.469 121.236 -2.767 19600 1384 1 5 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.161 -0.431 19600 1385 1 5 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.373 0.394 19600 1386 1 5 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.533 0.018 19600 1387 1 5 . 1 1 18 18 GLU H H 18 7.857 7.857 7.944 -0.087 19600 1388 1 5 . 1 1 19 19 ILE N N 19 121.154 121.154 118.887 2.267 19600 1389 1 5 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.755 -0.335 19600 1390 1 5 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.830 -1.293 19600 1391 1 5 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.580 0.111 19600 1392 1 5 . 1 1 19 19 ILE H H 19 7.076 7.076 7.724 -0.648 19600 1393 1 5 . 1 1 20 20 LEU N N 20 122.911 122.911 117.647 5.264 19600 1394 1 5 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.546 -1.222 19600 1395 1 5 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.626 2.091 19600 1396 1 5 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.278 -1.716 19600 1397 1 5 . 1 1 20 20 LEU H H 20 7.600 7.600 7.367 0.233 19600 1398 1 5 . 1 1 21 21 GLU N N 21 118.448 118.448 119.256 -0.808 19600 1399 1 5 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.100 -0.088 19600 1400 1 5 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.244 -0.316 19600 1401 1 5 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.820 -0.679 19600 1402 1 5 . 1 1 21 21 GLU H H 21 8.354 8.354 8.190 0.164 19600 1403 1 5 . 1 1 22 22 THR N N 22 116.336 116.336 113.328 3.008 19600 1404 1 5 . 1 1 22 22 THR HA H 22 3.745 3.745 4.280 -0.535 19600 1405 1 5 . 1 1 22 22 THR CA C 22 67.433 67.433 65.486 1.947 19600 1406 1 5 . 1 1 22 22 THR CB C 22 68.490 68.490 69.626 -1.136 19600 1407 1 5 . 1 1 22 22 THR H H 22 7.703 7.703 8.206 -0.503 19600 1408 1 5 . 1 1 23 23 LEU N N 23 123.532 123.532 123.109 0.423 19600 1409 1 5 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.153 0.046 19600 1410 1 5 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.113 0.182 19600 1411 1 5 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.119 -1.282 19600 1412 1 5 . 1 1 23 23 LEU H H 23 7.501 7.501 7.707 -0.205 19600 1413 1 5 . 1 1 24 24 PHE N N 24 120.756 120.756 118.914 1.842 19600 1414 1 5 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.251 0.184 19600 1415 1 5 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.923 0.409 19600 1416 1 5 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.933 0.045 19600 1417 1 5 . 1 1 24 24 PHE H H 24 8.708 8.708 8.294 0.414 19600 1418 1 5 . 1 1 25 25 ASN N N 25 113.604 113.604 115.824 -2.220 19600 1419 1 5 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.371 -0.297 19600 1420 1 5 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.162 0.187 19600 1421 1 5 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.047 -0.247 19600 1422 1 5 . 1 1 25 25 ASN H H 25 7.827 7.827 7.782 0.045 19600 1423 1 5 . 1 1 26 26 GLU N N 26 120.985 120.985 119.364 1.621 19600 1424 1 5 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.123 -0.152 19600 1425 1 5 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.587 -0.086 19600 1426 1 5 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.442 -0.354 19600 1427 1 5 . 1 1 26 26 GLU H H 26 7.532 7.532 8.186 -0.654 19600 1428 1 5 . 1 1 27 27 THR N N 27 115.986 115.986 110.235 5.751 19600 1429 1 5 . 1 1 27 27 THR HA H 27 4.085 4.085 4.511 -0.426 19600 1430 1 5 . 1 1 27 27 THR CA C 27 59.365 59.365 61.670 -2.305 19600 1431 1 5 . 1 1 27 27 THR CB C 27 69.151 69.151 69.890 -0.739 19600 1432 1 5 . 1 1 27 27 THR H H 27 8.719 8.719 8.218 0.501 19600 1433 1 5 . 1 1 28 28 GLN N N 28 122.144 122.144 120.039 2.105 19600 1434 1 5 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.634 -0.980 19600 1435 1 5 . 1 1 28 28 GLN CA C 28 57.220 57.220 56.548 0.672 19600 1436 1 5 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.249 -1.189 19600 1437 1 5 . 1 1 28 28 GLN H H 28 7.963 7.963 8.767 -0.804 19600 1438 1 5 . 1 1 29 29 TYR N N 29 114.355 114.355 121.309 -6.954 19600 1439 1 5 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.793 -0.364 19600 1440 1 5 . 1 1 29 29 TYR CA C 29 55.457 55.457 54.241 1.216 19600 1441 1 5 . 1 1 29 29 TYR CB C 29 38.997 38.997 38.417 0.580 19600 1442 1 5 . 1 1 29 29 TYR H H 29 7.680 7.680 7.691 -0.011 19600 1443 1 5 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.306 -0.232 19600 1444 1 5 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.001 -0.598 19600 1445 1 5 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.882 0.804 19600 1446 1 5 . 1 1 31 31 ASP N N 31 123.957 123.957 121.840 2.117 19600 1447 1 5 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.806 -0.615 19600 1448 1 5 . 1 1 31 31 ASP CA C 31 52.813 52.813 51.937 0.876 19600 1449 1 5 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.245 -3.158 19600 1450 1 5 . 1 1 31 31 ASP H H 31 8.496 8.496 7.948 0.548 19600 1451 1 5 . 1 1 32 32 VAL N N 32 117.950 117.950 119.768 -1.818 19600 1452 1 5 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.700 -0.502 19600 1453 1 5 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.343 -0.093 19600 1454 1 5 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.428 0.065 19600 1455 1 5 . 1 1 32 32 VAL H H 32 8.162 8.162 8.375 -0.213 19600 1456 1 5 . 1 1 33 33 PHE N N 33 120.199 120.199 119.365 0.834 19600 1457 1 5 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.141 -0.105 19600 1458 1 5 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.358 -0.844 19600 1459 1 5 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.139 -0.206 19600 1460 1 5 . 1 1 33 33 PHE H H 33 6.841 6.841 8.533 -1.692 19600 1461 1 5 . 1 1 34 34 ALA N N 34 123.742 123.742 121.625 2.117 19600 1462 1 5 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.045 -0.163 19600 1463 1 5 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.450 0.692 19600 1464 1 5 . 1 1 34 34 ALA CB C 34 18.559 18.559 18.981 -0.422 19600 1465 1 5 . 1 1 34 34 ALA H H 34 8.139 8.139 8.021 0.118 19600 1466 1 5 . 1 1 35 35 ARG N N 35 116.197 116.197 118.411 -2.214 19600 1467 1 5 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.830 -0.276 19600 1468 1 5 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.221 1.526 19600 1469 1 5 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.592 1.578 19600 1470 1 5 . 1 1 35 35 ARG H H 35 8.281 8.281 7.956 0.325 19600 1471 1 5 . 1 1 36 36 GLU N N 36 119.133 119.133 118.168 0.965 19600 1472 1 5 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.003 -0.306 19600 1473 1 5 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.697 1.013 19600 1474 1 5 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.475 -0.025 19600 1475 1 5 . 1 1 36 36 GLU H H 36 8.382 8.382 8.437 -0.055 19600 1476 1 5 . 1 1 37 37 ARG N N 37 119.597 119.597 118.834 0.763 19600 1477 1 5 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.173 -0.261 19600 1478 1 5 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.934 0.759 19600 1479 1 5 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.634 -0.631 19600 1480 1 5 . 1 1 37 37 ARG H H 37 7.707 7.707 7.577 0.130 19600 1481 1 5 . 1 1 38 38 VAL N N 38 119.099 119.099 118.370 0.729 19600 1482 1 5 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.697 0.078 19600 1483 1 5 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.559 0.260 19600 1484 1 5 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.706 0.937 19600 1485 1 5 . 1 1 38 38 VAL H H 38 7.630 7.630 8.039 -0.409 19600 1486 1 5 . 1 1 39 39 ALA N N 39 124.624 124.624 122.173 2.451 19600 1487 1 5 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.981 -0.290 19600 1488 1 5 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.056 1.359 19600 1489 1 5 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.170 0.080 19600 1490 1 5 . 1 1 39 39 ALA H H 39 8.196 8.196 7.915 0.281 19600 1491 1 5 . 1 1 40 40 ASP N N 40 115.786 115.786 116.336 -0.550 19600 1492 1 5 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.579 -0.382 19600 1493 1 5 . 1 1 40 40 ASP CA C 40 56.815 56.815 56.021 0.794 19600 1494 1 5 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.106 0.201 19600 1495 1 5 . 1 1 40 40 ASP H H 40 7.510 7.510 8.216 -0.706 19600 1496 1 5 . 1 1 41 41 GLN N N 41 118.952 118.952 118.565 0.387 19600 1497 1 5 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.200 -0.365 19600 1498 1 5 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.730 1.589 19600 1499 1 5 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.311 0.254 19600 1500 1 5 . 1 1 41 41 GLN H H 41 7.643 7.643 7.830 -0.188 19600 1501 1 5 . 1 1 42 42 ILE N N 42 108.381 108.381 112.451 -4.070 19600 1502 1 5 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.272 0.120 19600 1503 1 5 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.026 -0.234 19600 1504 1 5 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.602 -0.160 19600 1505 1 5 . 1 1 42 42 ILE H H 42 8.076 8.076 7.558 0.518 19600 1506 1 5 . 1 1 43 43 ARG N N 43 119.055 119.055 118.447 0.608 19600 1507 1 5 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.050 -0.312 19600 1508 1 5 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.476 0.347 19600 1509 1 5 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.876 -1.810 19600 1510 1 5 . 1 1 43 43 ARG H H 43 7.588 7.588 7.509 0.079 19600 1511 1 5 . 1 1 44 44 LEU N N 44 119.135 119.135 118.915 0.220 19600 1512 1 5 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.678 -0.110 19600 1513 1 5 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.359 -0.363 19600 1514 1 5 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.395 2.205 19600 1515 1 5 . 1 1 44 44 LEU H H 44 7.648 7.648 8.353 -0.705 19600 1516 1 5 . 1 1 45 45 GLN N N 45 118.784 118.784 120.335 -1.551 19600 1517 1 5 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.307 -0.242 19600 1518 1 5 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.406 -0.079 19600 1519 1 5 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.519 0.283 19600 1520 1 5 . 1 1 45 45 GLN H H 45 8.107 8.107 8.436 -0.329 19600 1521 1 5 . 1 1 46 46 GLU N N 46 125.074 125.074 124.374 0.700 19600 1522 1 5 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.041 -0.498 19600 1523 1 5 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.296 1.867 19600 1524 1 5 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.416 -0.780 19600 1525 1 5 . 1 1 46 46 GLU H H 46 9.097 9.097 8.914 0.183 19600 1526 1 5 . 1 1 47 47 SER N N 47 113.706 113.706 114.783 -1.077 19600 1527 1 5 . 1 1 47 47 SER HA H 47 3.828 3.828 4.285 -0.457 19600 1528 1 5 . 1 1 47 47 SER CA C 47 61.464 61.464 60.298 1.166 19600 1529 1 5 . 1 1 47 47 SER CB C 47 61.867 61.867 63.061 -1.194 19600 1530 1 5 . 1 1 47 47 SER H H 47 8.533 8.533 8.225 0.308 19600 1531 1 5 . 1 1 48 48 ARG N N 48 121.795 121.795 120.996 0.799 19600 1532 1 5 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.220 -0.172 19600 1533 1 5 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.063 0.093 19600 1534 1 5 . 1 1 48 48 ARG CB C 48 29.475 29.475 30.158 -0.683 19600 1535 1 5 . 1 1 48 48 ARG H H 48 7.153 7.153 7.772 -0.619 19600 1536 1 5 . 1 1 49 49 ILE N N 49 121.647 121.647 121.411 0.236 19600 1537 1 5 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.984 -0.349 19600 1538 1 5 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.435 0.078 19600 1539 1 5 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.873 -1.050 19600 1540 1 5 . 1 1 49 49 ILE H H 49 7.613 7.613 8.304 -0.691 19600 1541 1 5 . 1 1 50 50 GLN N N 50 118.579 118.579 118.243 0.336 19600 1542 1 5 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.126 0.007 19600 1543 1 5 . 1 1 50 50 GLN CA C 50 60.473 60.473 58.867 1.607 19600 1544 1 5 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.526 0.506 19600 1545 1 5 . 1 1 50 50 GLN H H 50 8.051 8.051 8.280 -0.229 19600 1546 1 5 . 1 1 51 51 VAL N N 51 120.580 120.580 115.267 5.313 19600 1547 1 5 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.830 -0.387 19600 1548 1 5 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.341 1.746 19600 1549 1 5 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.201 1.077 19600 1550 1 5 . 1 1 51 51 VAL H H 51 7.372 7.372 8.032 -0.660 19600 1551 1 5 . 1 1 52 52 TRP N N 52 121.485 121.485 119.869 1.616 19600 1552 1 5 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.562 -0.788 19600 1553 1 5 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.361 5.141 19600 1554 1 5 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.520 -1.132 19600 1555 1 5 . 1 1 52 52 TRP H H 52 8.135 8.135 7.062 1.073 19600 1556 1 5 . 1 1 53 53 PHE N N 53 118.122 118.122 121.249 -3.127 19600 1557 1 5 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.196 -0.774 19600 1558 1 5 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.086 3.901 19600 1559 1 5 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.012 0.340 19600 1560 1 5 . 1 1 53 53 PHE H H 53 8.764 8.764 8.475 0.289 19600 1561 1 5 . 1 1 54 54 LYS N N 54 120.838 120.838 118.243 2.595 19600 1562 1 5 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.818 -0.103 19600 1563 1 5 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.257 3.420 19600 1564 1 5 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.416 -0.225 19600 1565 1 5 . 1 1 54 54 LYS H H 54 7.947 7.947 7.600 0.347 19600 1566 1 5 . 1 1 55 55 ASN N N 55 118.986 118.986 119.612 -0.626 19600 1567 1 5 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.424 -0.303 19600 1568 1 5 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.770 -1.075 19600 1569 1 5 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.406 -0.666 19600 1570 1 5 . 1 1 55 55 ASN H H 55 7.953 7.953 8.450 -0.497 19600 1571 1 5 . 1 1 56 56 ARG N N 56 124.991 124.991 119.555 5.436 19600 1572 1 5 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.128 -0.846 19600 1573 1 5 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.864 -1.016 19600 1574 1 5 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.253 -2.581 19600 1575 1 5 . 1 1 56 56 ARG H H 56 8.263 8.263 8.179 0.084 19600 1576 1 5 . 1 1 57 57 ARG N N 57 120.173 120.173 119.179 0.994 19600 1577 1 5 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.428 0.361 19600 1578 1 5 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.391 2.788 19600 1579 1 5 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.305 2.220 19600 1580 1 5 . 1 1 57 57 ARG H H 57 8.343 8.343 7.569 0.774 19600 1581 1 5 . 1 1 58 58 ALA N N 58 121.602 121.602 118.950 2.652 19600 1582 1 5 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.539 -0.628 19600 1583 1 5 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.818 1.523 19600 1584 1 5 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.110 -1.334 19600 1585 1 5 . 1 1 58 58 ALA H H 58 7.179 7.179 7.983 -0.804 19600 1586 1 5 . 1 1 59 59 LYS N N 59 119.515 119.515 120.801 -1.286 19600 1587 1 5 . 1 1 59 59 LYS HA H 59 3.730 3.730 4.005 -0.275 19600 1588 1 5 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.226 1.099 19600 1589 1 5 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.705 0.868 19600 1590 1 5 . 1 1 59 59 LYS H H 59 7.463 7.463 7.670 -0.207 19600 1591 1 5 . 1 1 60 60 TYR N N 60 120.152 120.152 118.746 1.406 19600 1592 1 5 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.071 0.089 19600 1593 1 5 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.880 1.133 19600 1594 1 5 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.257 1.553 19600 1595 1 5 . 1 1 60 60 TYR H H 60 7.874 7.874 7.860 0.014 19600 1596 1 5 . 1 1 61 61 ARG N N 61 118.122 118.122 118.521 -0.399 19600 1597 1 5 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.534 0.297 19600 1598 1 5 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.483 0.716 19600 1599 1 5 . 1 1 61 61 ARG CB C 61 30.310 30.310 30.084 0.226 19600 1600 1 5 . 1 1 61 61 ARG H H 61 7.943 7.943 7.485 0.458 19600 1601 1 5 . 1 1 62 62 LEU N N 62 119.191 119.191 120.808 -1.617 19600 1602 1 5 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.013 -0.083 19600 1603 1 5 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.934 -0.813 19600 1604 1 5 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.432 0.677 19600 1605 1 5 . 1 1 62 62 LEU H H 62 7.407 7.407 7.406 0.001 19600 1606 1 5 . 1 1 63 63 GLN N N 63 118.201 118.201 116.067 2.134 19600 1607 1 5 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.948 -0.075 19600 1608 1 5 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.652 -1.314 19600 1609 1 5 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.821 1.050 19600 1610 1 5 . 1 1 63 63 GLN H H 63 7.676 7.676 8.473 -0.797 19600 1611 1 5 . 1 1 64 64 GLU N N 64 120.152 120.152 121.716 -1.564 19600 1612 1 5 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.061 -0.261 19600 1613 1 5 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.884 -1.381 19600 1614 1 5 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.702 0.485 19600 1615 1 5 . 1 1 64 64 GLU H H 64 7.808 7.808 7.647 0.161 19600 1616 1 5 . 1 1 65 65 LYS N N 65 120.364 120.364 116.364 4.000 19600 1617 1 5 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.140 -0.154 19600 1618 1 5 . 1 1 65 65 LYS CA C 65 56.871 56.871 57.705 -0.834 19600 1619 1 5 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.288 0.185 19600 1620 1 5 . 1 1 65 65 LYS H H 65 7.695 7.695 7.645 0.050 19600 1621 1 5 . 1 1 66 66 GLN N N 66 120.265 120.265 118.668 1.597 19600 1622 1 5 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.270 -0.242 19600 1623 1 5 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.059 -1.263 19600 1624 1 5 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.624 -0.325 19600 1625 1 5 . 1 1 66 66 GLN H H 66 7.906 7.906 7.776 0.130 19600 1626 1 5 . 1 1 67 67 LYS N N 67 124.357 124.357 120.450 3.907 19600 1627 1 5 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.428 -0.112 19600 1628 1 5 . 1 1 67 67 LYS CA C 67 54.596 54.596 54.948 -0.352 19600 1629 1 5 . 1 1 67 67 LYS CB C 67 32.457 32.457 31.696 0.761 19600 1630 1 5 . 1 1 67 67 LYS H H 67 7.963 7.963 8.126 -0.163 19600 1631 1 6 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.239 -0.005 19600 1632 1 6 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.786 0.430 19600 1633 1 6 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.447 2.119 19600 1634 1 6 . 1 1 3 3 ARG N N 3 122.101 122.101 121.302 0.799 19600 1635 1 6 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.399 -0.348 19600 1636 1 6 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.903 0.605 19600 1637 1 6 . 1 1 3 3 ARG CB C 3 30.742 30.742 33.062 -2.320 19600 1638 1 6 . 1 1 3 3 ARG H H 3 8.377 8.377 7.969 0.408 19600 1639 1 6 . 1 1 4 4 LYS N N 4 123.421 123.421 123.834 -0.413 19600 1640 1 6 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.518 -0.498 19600 1641 1 6 . 1 1 4 4 LYS CA C 4 56.582 56.582 56.978 -0.396 19600 1642 1 6 . 1 1 4 4 LYS CB C 4 33.202 33.202 34.404 -1.202 19600 1643 1 6 . 1 1 4 4 LYS H H 4 8.278 8.278 8.637 -0.359 19600 1644 1 6 . 1 1 5 5 ASN N N 5 120.133 120.133 118.312 1.821 19600 1645 1 6 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.924 -0.504 19600 1646 1 6 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.301 0.071 19600 1647 1 6 . 1 1 5 5 ASN CB C 5 38.896 38.896 38.965 -0.069 19600 1648 1 6 . 1 1 5 5 ASN H H 5 8.318 8.318 8.343 -0.025 19600 1649 1 6 . 1 1 6 6 ARG N N 6 121.990 121.990 114.225 7.765 19600 1650 1 6 . 1 1 6 6 ARG HA H 6 4.039 4.039 3.931 0.108 19600 1651 1 6 . 1 1 6 6 ARG CA C 6 56.539 56.539 57.175 -0.636 19600 1652 1 6 . 1 1 6 6 ARG CB C 6 30.729 30.729 27.706 3.023 19600 1653 1 6 . 1 1 6 6 ARG H H 6 8.185 8.185 8.460 -0.275 19600 1654 1 6 . 1 1 7 7 ARG N N 7 122.520 122.520 120.569 1.951 19600 1655 1 6 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.663 -0.653 19600 1656 1 6 . 1 1 7 7 ARG CA C 7 56.473 56.473 55.065 1.408 19600 1657 1 6 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.970 -1.069 19600 1658 1 6 . 1 1 7 7 ARG H H 7 8.237 8.237 7.838 0.399 19600 1659 1 6 . 1 1 8 8 GLU N N 8 121.543 121.543 121.211 0.332 19600 1660 1 6 . 1 1 8 8 GLU HA H 8 4.019 4.019 3.478 0.541 19600 1661 1 6 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.238 1.308 19600 1662 1 6 . 1 1 8 8 GLU CB C 8 30.559 30.559 31.547 -0.988 19600 1663 1 6 . 1 1 8 8 GLU H H 8 7.971 7.971 8.596 -0.625 19600 1664 1 6 . 1 1 9 9 ARG N N 9 122.730 122.730 120.710 2.020 19600 1665 1 6 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.367 -0.216 19600 1666 1 6 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.843 -2.448 19600 1667 1 6 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.704 0.249 19600 1668 1 6 . 1 1 9 9 ARG H H 9 8.290 8.290 8.702 -0.412 19600 1669 1 6 . 1 1 10 10 THR N N 10 116.410 116.410 106.291 10.119 19600 1670 1 6 . 1 1 10 10 THR HA H 10 4.073 4.073 4.377 -0.304 19600 1671 1 6 . 1 1 10 10 THR CA C 10 62.073 62.073 61.097 0.976 19600 1672 1 6 . 1 1 10 10 THR CB C 10 70.102 70.102 69.875 0.227 19600 1673 1 6 . 1 1 10 10 THR H H 10 8.132 8.132 7.400 0.732 19600 1674 1 6 . 1 1 11 11 THR N N 11 117.607 117.607 113.156 4.451 19600 1675 1 6 . 1 1 11 11 THR HA H 11 4.101 4.101 3.821 0.280 19600 1676 1 6 . 1 1 11 11 THR CA C 11 61.581 61.581 64.506 -2.925 19600 1677 1 6 . 1 1 11 11 THR CB C 11 70.193 70.193 69.030 1.163 19600 1678 1 6 . 1 1 11 11 THR H H 11 7.868 7.868 8.373 -0.505 19600 1679 1 6 . 1 1 12 12 TYR N N 12 122.200 122.200 119.096 3.104 19600 1680 1 6 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.722 -0.124 19600 1681 1 6 . 1 1 12 12 TYR CA C 12 57.101 57.101 56.578 0.524 19600 1682 1 6 . 1 1 12 12 TYR CB C 12 40.517 40.517 40.424 0.093 19600 1683 1 6 . 1 1 12 12 TYR H H 12 8.053 8.053 7.922 0.131 19600 1684 1 6 . 1 1 13 13 SER N N 13 119.084 119.084 117.377 1.707 19600 1685 1 6 . 1 1 13 13 SER HA H 13 4.340 4.340 5.018 -0.678 19600 1686 1 6 . 1 1 13 13 SER CA C 13 56.906 56.906 56.580 0.326 19600 1687 1 6 . 1 1 13 13 SER CB C 13 65.860 65.860 65.566 0.294 19600 1688 1 6 . 1 1 13 13 SER H H 13 8.976 8.976 8.420 0.556 19600 1689 1 6 . 1 1 14 14 ARG N N 14 121.463 121.463 122.201 -0.738 19600 1690 1 6 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.349 -0.599 19600 1691 1 6 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.503 1.475 19600 1692 1 6 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.267 -0.822 19600 1693 1 6 . 1 1 14 14 ARG H H 14 8.824 8.824 8.905 -0.081 19600 1694 1 6 . 1 1 15 15 GLN N N 15 117.760 117.760 118.774 -1.014 19600 1695 1 6 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.929 -0.112 19600 1696 1 6 . 1 1 15 15 GLN CA C 15 59.606 59.606 60.029 -0.423 19600 1697 1 6 . 1 1 15 15 GLN CB C 15 28.230 28.230 28.122 0.108 19600 1698 1 6 . 1 1 15 15 GLN H H 15 8.341 8.341 8.631 -0.290 19600 1699 1 6 . 1 1 16 16 GLN N N 16 117.933 117.933 116.332 1.601 19600 1700 1 6 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.094 -0.592 19600 1701 1 6 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.660 0.873 19600 1702 1 6 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.998 0.432 19600 1703 1 6 . 1 1 16 16 GLN H H 16 7.487 7.487 8.501 -1.014 19600 1704 1 6 . 1 1 17 17 LEU N N 17 117.025 117.025 116.132 0.893 19600 1705 1 6 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.402 -1.030 19600 1706 1 6 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.717 2.044 19600 1707 1 6 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.000 -0.508 19600 1708 1 6 . 1 1 17 17 LEU H H 17 8.070 8.070 7.552 0.518 19600 1709 1 6 . 1 1 18 18 GLU N N 18 118.469 118.469 121.316 -2.847 19600 1710 1 6 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.160 -0.430 19600 1711 1 6 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.449 0.318 19600 1712 1 6 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.559 -0.008 19600 1713 1 6 . 1 1 18 18 GLU H H 18 7.857 7.857 7.964 -0.107 19600 1714 1 6 . 1 1 19 19 ILE N N 19 121.154 121.154 118.430 2.724 19600 1715 1 6 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.764 -0.344 19600 1716 1 6 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.810 -1.273 19600 1717 1 6 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.633 0.058 19600 1718 1 6 . 1 1 19 19 ILE H H 19 7.076 7.076 7.683 -0.607 19600 1719 1 6 . 1 1 20 20 LEU N N 20 122.911 122.911 117.373 5.538 19600 1720 1 6 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.524 -1.200 19600 1721 1 6 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.576 2.141 19600 1722 1 6 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.283 -1.721 19600 1723 1 6 . 1 1 20 20 LEU H H 20 7.600 7.600 7.462 0.138 19600 1724 1 6 . 1 1 21 21 GLU N N 21 118.448 118.448 119.866 -1.418 19600 1725 1 6 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.087 -0.075 19600 1726 1 6 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.462 -0.534 19600 1727 1 6 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.870 -0.729 19600 1728 1 6 . 1 1 21 21 GLU H H 21 8.354 8.354 8.090 0.264 19600 1729 1 6 . 1 1 22 22 THR N N 22 116.336 116.336 113.204 3.132 19600 1730 1 6 . 1 1 22 22 THR HA H 22 3.745 3.745 4.340 -0.595 19600 1731 1 6 . 1 1 22 22 THR CA C 22 67.433 67.433 65.814 1.619 19600 1732 1 6 . 1 1 22 22 THR CB C 22 68.490 68.490 69.629 -1.139 19600 1733 1 6 . 1 1 22 22 THR H H 22 7.703 7.703 8.490 -0.787 19600 1734 1 6 . 1 1 23 23 LEU N N 23 123.532 123.532 123.222 0.310 19600 1735 1 6 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.186 0.013 19600 1736 1 6 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.104 0.191 19600 1737 1 6 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.020 -1.183 19600 1738 1 6 . 1 1 23 23 LEU H H 23 7.501 7.501 7.686 -0.185 19600 1739 1 6 . 1 1 24 24 PHE N N 24 120.756 120.756 119.193 1.563 19600 1740 1 6 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.228 0.207 19600 1741 1 6 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.899 0.433 19600 1742 1 6 . 1 1 24 24 PHE CB C 24 38.978 38.978 39.038 -0.060 19600 1743 1 6 . 1 1 24 24 PHE H H 24 8.708 8.708 8.235 0.473 19600 1744 1 6 . 1 1 25 25 ASN N N 25 113.604 113.604 115.934 -2.330 19600 1745 1 6 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.431 -0.357 19600 1746 1 6 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.844 0.505 19600 1747 1 6 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.734 0.066 19600 1748 1 6 . 1 1 25 25 ASN H H 25 7.827 7.827 7.911 -0.084 19600 1749 1 6 . 1 1 26 26 GLU N N 26 120.985 120.985 119.704 1.281 19600 1750 1 6 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.143 -0.172 19600 1751 1 6 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.389 0.112 19600 1752 1 6 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.258 -0.170 19600 1753 1 6 . 1 1 26 26 GLU H H 26 7.532 7.532 7.960 -0.428 19600 1754 1 6 . 1 1 27 27 THR N N 27 115.986 115.986 107.839 8.147 19600 1755 1 6 . 1 1 27 27 THR HA H 27 4.085 4.085 4.252 -0.167 19600 1756 1 6 . 1 1 27 27 THR CA C 27 59.365 59.365 61.035 -1.670 19600 1757 1 6 . 1 1 27 27 THR CB C 27 69.151 69.151 69.607 -0.456 19600 1758 1 6 . 1 1 27 27 THR H H 27 8.719 8.719 7.884 0.835 19600 1759 1 6 . 1 1 28 28 GLN N N 28 122.144 122.144 119.212 2.932 19600 1760 1 6 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.435 -0.781 19600 1761 1 6 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.323 1.897 19600 1762 1 6 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.292 -1.232 19600 1763 1 6 . 1 1 28 28 GLN H H 28 7.963 7.963 8.087 -0.124 19600 1764 1 6 . 1 1 29 29 TYR N N 29 114.355 114.355 120.453 -6.098 19600 1765 1 6 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.854 -0.425 19600 1766 1 6 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.127 2.330 19600 1767 1 6 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.809 1.188 19600 1768 1 6 . 1 1 29 29 TYR H H 29 7.680 7.680 7.649 0.031 19600 1769 1 6 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.393 -0.319 19600 1770 1 6 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.193 -0.790 19600 1771 1 6 . 1 1 30 30 PRO CB C 30 31.686 31.686 31.096 0.590 19600 1772 1 6 . 1 1 31 31 ASP N N 31 123.957 123.957 122.489 1.468 19600 1773 1 6 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.760 -0.569 19600 1774 1 6 . 1 1 31 31 ASP CA C 31 52.813 52.813 51.787 1.026 19600 1775 1 6 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.217 -3.130 19600 1776 1 6 . 1 1 31 31 ASP H H 31 8.496 8.496 7.958 0.538 19600 1777 1 6 . 1 1 32 32 VAL N N 32 117.950 117.950 119.799 -1.849 19600 1778 1 6 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.658 -0.460 19600 1779 1 6 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.230 0.020 19600 1780 1 6 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.342 0.151 19600 1781 1 6 . 1 1 32 32 VAL H H 32 8.162 8.162 8.342 -0.180 19600 1782 1 6 . 1 1 33 33 PHE N N 33 120.199 120.199 119.228 0.971 19600 1783 1 6 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.215 -0.179 19600 1784 1 6 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.142 -0.628 19600 1785 1 6 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.093 -0.160 19600 1786 1 6 . 1 1 33 33 PHE H H 33 6.841 6.841 8.413 -1.572 19600 1787 1 6 . 1 1 34 34 ALA N N 34 123.742 123.742 121.414 2.328 19600 1788 1 6 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.029 -0.147 19600 1789 1 6 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.361 0.781 19600 1790 1 6 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.110 -0.551 19600 1791 1 6 . 1 1 34 34 ALA H H 34 8.139 8.139 8.010 0.129 19600 1792 1 6 . 1 1 35 35 ARG N N 35 116.197 116.197 118.437 -2.240 19600 1793 1 6 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.812 -0.258 19600 1794 1 6 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.197 1.550 19600 1795 1 6 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.560 1.610 19600 1796 1 6 . 1 1 35 35 ARG H H 35 8.281 8.281 7.941 0.340 19600 1797 1 6 . 1 1 36 36 GLU N N 36 119.133 119.133 118.177 0.956 19600 1798 1 6 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.989 -0.292 19600 1799 1 6 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.747 0.963 19600 1800 1 6 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.469 -0.019 19600 1801 1 6 . 1 1 36 36 GLU H H 36 8.382 8.382 8.416 -0.034 19600 1802 1 6 . 1 1 37 37 ARG N N 37 119.597 119.597 118.839 0.758 19600 1803 1 6 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.213 -0.301 19600 1804 1 6 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.807 0.886 19600 1805 1 6 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.841 -0.838 19600 1806 1 6 . 1 1 37 37 ARG H H 37 7.707 7.707 7.572 0.135 19600 1807 1 6 . 1 1 38 38 VAL N N 38 119.099 119.099 117.850 1.249 19600 1808 1 6 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.722 0.053 19600 1809 1 6 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.691 0.128 19600 1810 1 6 . 1 1 38 38 VAL CB C 38 31.643 31.643 31.198 0.445 19600 1811 1 6 . 1 1 38 38 VAL H H 38 7.630 7.630 8.113 -0.483 19600 1812 1 6 . 1 1 39 39 ALA N N 39 124.624 124.624 122.539 2.085 19600 1813 1 6 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.948 -0.257 19600 1814 1 6 . 1 1 39 39 ALA CA C 39 56.414 56.414 54.932 1.482 19600 1815 1 6 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.256 -0.006 19600 1816 1 6 . 1 1 39 39 ALA H H 39 8.196 8.196 8.026 0.170 19600 1817 1 6 . 1 1 40 40 ASP N N 40 115.786 115.786 116.280 -0.494 19600 1818 1 6 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.581 -0.384 19600 1819 1 6 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.998 0.816 19600 1820 1 6 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.131 0.176 19600 1821 1 6 . 1 1 40 40 ASP H H 40 7.510 7.510 8.184 -0.674 19600 1822 1 6 . 1 1 41 41 GLN N N 41 118.952 118.952 117.792 1.160 19600 1823 1 6 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.219 -0.384 19600 1824 1 6 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.927 1.392 19600 1825 1 6 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.619 -0.053 19600 1826 1 6 . 1 1 41 41 GLN H H 41 7.643 7.643 7.908 -0.265 19600 1827 1 6 . 1 1 42 42 ILE N N 42 108.381 108.381 111.893 -3.512 19600 1828 1 6 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.345 0.047 19600 1829 1 6 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.084 -0.292 19600 1830 1 6 . 1 1 42 42 ILE CB C 42 38.442 38.442 39.399 -0.957 19600 1831 1 6 . 1 1 42 42 ILE H H 42 8.076 8.076 7.886 0.190 19600 1832 1 6 . 1 1 43 43 ARG N N 43 119.055 119.055 119.228 -0.173 19600 1833 1 6 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.071 -0.333 19600 1834 1 6 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.662 0.161 19600 1835 1 6 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.358 -1.292 19600 1836 1 6 . 1 1 43 43 ARG H H 43 7.588 7.588 7.693 -0.105 19600 1837 1 6 . 1 1 44 44 LEU N N 44 119.135 119.135 119.815 -0.680 19600 1838 1 6 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.658 -0.090 19600 1839 1 6 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.156 -0.160 19600 1840 1 6 . 1 1 44 44 LEU CB C 44 47.600 47.600 44.930 2.670 19600 1841 1 6 . 1 1 44 44 LEU H H 44 7.648 7.648 8.325 -0.677 19600 1842 1 6 . 1 1 45 45 GLN N N 45 118.784 118.784 119.964 -1.180 19600 1843 1 6 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.171 -0.106 19600 1844 1 6 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.879 -0.552 19600 1845 1 6 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.426 0.376 19600 1846 1 6 . 1 1 45 45 GLN H H 45 8.107 8.107 8.276 -0.169 19600 1847 1 6 . 1 1 46 46 GLU N N 46 125.074 125.074 124.910 0.164 19600 1848 1 6 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.021 -0.478 19600 1849 1 6 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.146 2.017 19600 1850 1 6 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.199 -0.563 19600 1851 1 6 . 1 1 46 46 GLU H H 46 9.097 9.097 8.782 0.315 19600 1852 1 6 . 1 1 47 47 SER N N 47 113.706 113.706 114.786 -1.080 19600 1853 1 6 . 1 1 47 47 SER HA H 47 3.828 3.828 4.333 -0.505 19600 1854 1 6 . 1 1 47 47 SER CA C 47 61.464 61.464 60.477 0.987 19600 1855 1 6 . 1 1 47 47 SER CB C 47 61.867 61.867 63.025 -1.158 19600 1856 1 6 . 1 1 47 47 SER H H 47 8.533 8.533 8.158 0.375 19600 1857 1 6 . 1 1 48 48 ARG N N 48 121.795 121.795 121.571 0.224 19600 1858 1 6 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.082 -0.034 19600 1859 1 6 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.485 -0.329 19600 1860 1 6 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.895 -0.420 19600 1861 1 6 . 1 1 48 48 ARG H H 48 7.153 7.153 7.794 -0.641 19600 1862 1 6 . 1 1 49 49 ILE N N 49 121.647 121.647 120.981 0.666 19600 1863 1 6 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.535 0.100 19600 1864 1 6 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.108 0.405 19600 1865 1 6 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.767 -0.944 19600 1866 1 6 . 1 1 49 49 ILE H H 49 7.613 7.613 7.913 -0.300 19600 1867 1 6 . 1 1 50 50 GLN N N 50 118.579 118.579 118.425 0.154 19600 1868 1 6 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.097 0.036 19600 1869 1 6 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.099 1.374 19600 1870 1 6 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.472 0.560 19600 1871 1 6 . 1 1 50 50 GLN H H 50 8.051 8.051 8.265 -0.214 19600 1872 1 6 . 1 1 51 51 VAL N N 51 120.580 120.580 115.853 4.727 19600 1873 1 6 . 1 1 51 51 VAL HA H 51 3.443 3.443 4.027 -0.584 19600 1874 1 6 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.611 1.476 19600 1875 1 6 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.179 1.099 19600 1876 1 6 . 1 1 51 51 VAL H H 51 7.372 7.372 7.802 -0.430 19600 1877 1 6 . 1 1 52 52 TRP N N 52 121.485 121.485 120.863 0.622 19600 1878 1 6 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.675 -0.901 19600 1879 1 6 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.054 5.448 19600 1880 1 6 . 1 1 52 52 TRP CB C 52 28.388 28.388 28.715 -0.327 19600 1881 1 6 . 1 1 52 52 TRP H H 52 8.135 8.135 7.332 0.803 19600 1882 1 6 . 1 1 53 53 PHE N N 53 118.122 118.122 121.293 -3.171 19600 1883 1 6 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.195 -0.774 19600 1884 1 6 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.120 3.867 19600 1885 1 6 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.948 0.404 19600 1886 1 6 . 1 1 53 53 PHE H H 53 8.764 8.764 8.405 0.359 19600 1887 1 6 . 1 1 54 54 LYS N N 54 120.838 120.838 118.531 2.307 19600 1888 1 6 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.887 -0.172 19600 1889 1 6 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.204 3.473 19600 1890 1 6 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.438 -0.247 19600 1891 1 6 . 1 1 54 54 LYS H H 54 7.947 7.947 7.634 0.313 19600 1892 1 6 . 1 1 55 55 ASN N N 55 118.986 118.986 119.300 -0.314 19600 1893 1 6 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.292 -0.171 19600 1894 1 6 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.837 -1.142 19600 1895 1 6 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.354 -0.614 19600 1896 1 6 . 1 1 55 55 ASN H H 55 7.953 7.953 8.396 -0.443 19600 1897 1 6 . 1 1 56 56 ARG N N 56 124.991 124.991 119.581 5.410 19600 1898 1 6 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.095 -0.813 19600 1899 1 6 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.764 -0.916 19600 1900 1 6 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.253 -2.581 19600 1901 1 6 . 1 1 56 56 ARG H H 56 8.263 8.263 8.189 0.074 19600 1902 1 6 . 1 1 57 57 ARG N N 57 120.173 120.173 119.624 0.549 19600 1903 1 6 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.461 0.328 19600 1904 1 6 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.394 2.785 19600 1905 1 6 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.531 1.994 19600 1906 1 6 . 1 1 57 57 ARG H H 57 8.343 8.343 7.576 0.767 19600 1907 1 6 . 1 1 58 58 ALA N N 58 121.602 121.602 119.371 2.231 19600 1908 1 6 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.494 -0.583 19600 1909 1 6 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.791 1.550 19600 1910 1 6 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.142 -1.366 19600 1911 1 6 . 1 1 58 58 ALA H H 58 7.179 7.179 8.037 -0.858 19600 1912 1 6 . 1 1 59 59 LYS N N 59 119.515 119.515 120.774 -1.259 19600 1913 1 6 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.968 -0.238 19600 1914 1 6 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.379 0.946 19600 1915 1 6 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.735 0.838 19600 1916 1 6 . 1 1 59 59 LYS H H 59 7.463 7.463 7.647 -0.184 19600 1917 1 6 . 1 1 60 60 TYR N N 60 120.152 120.152 118.746 1.406 19600 1918 1 6 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.032 0.128 19600 1919 1 6 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.851 1.163 19600 1920 1 6 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.253 1.557 19600 1921 1 6 . 1 1 60 60 TYR H H 60 7.874 7.874 7.846 0.028 19600 1922 1 6 . 1 1 61 61 ARG N N 61 118.122 118.122 118.897 -0.775 19600 1923 1 6 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.561 0.270 19600 1924 1 6 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.484 0.715 19600 1925 1 6 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.959 0.351 19600 1926 1 6 . 1 1 61 61 ARG H H 61 7.943 7.943 7.511 0.432 19600 1927 1 6 . 1 1 62 62 LEU N N 62 119.191 119.191 119.799 -0.608 19600 1928 1 6 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.044 -0.114 19600 1929 1 6 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.693 -0.572 19600 1930 1 6 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.517 0.592 19600 1931 1 6 . 1 1 62 62 LEU H H 62 7.407 7.407 7.424 -0.017 19600 1932 1 6 . 1 1 63 63 GLN N N 63 118.201 118.201 116.582 1.619 19600 1933 1 6 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.073 -0.200 19600 1934 1 6 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.200 -0.862 19600 1935 1 6 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.314 0.557 19600 1936 1 6 . 1 1 63 63 GLN H H 63 7.676 7.676 8.308 -0.632 19600 1937 1 6 . 1 1 64 64 GLU N N 64 120.152 120.152 122.003 -1.851 19600 1938 1 6 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.909 -0.109 19600 1939 1 6 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.486 -1.983 19600 1940 1 6 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.427 0.760 19600 1941 1 6 . 1 1 64 64 GLU H H 64 7.808 7.808 7.615 0.193 19600 1942 1 6 . 1 1 65 65 LYS N N 65 120.364 120.364 116.412 3.952 19600 1943 1 6 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.070 -0.084 19600 1944 1 6 . 1 1 65 65 LYS CA C 65 56.871 56.871 57.997 -1.126 19600 1945 1 6 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.817 0.656 19600 1946 1 6 . 1 1 65 65 LYS H H 65 7.695 7.695 7.444 0.251 19600 1947 1 6 . 1 1 66 66 GLN N N 66 120.265 120.265 119.669 0.596 19600 1948 1 6 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.051 -0.023 19600 1949 1 6 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.955 -2.159 19600 1950 1 6 . 1 1 66 66 GLN CB C 66 29.299 29.299 28.966 0.333 19600 1951 1 6 . 1 1 66 66 GLN H H 66 7.906 7.906 7.624 0.282 19600 1952 1 6 . 1 1 67 67 LYS N N 67 124.357 124.357 119.056 5.301 19600 1953 1 6 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.260 0.056 19600 1954 1 6 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.833 -1.237 19600 1955 1 6 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.339 0.118 19600 1956 1 6 . 1 1 67 67 LYS H H 67 7.963 7.963 7.800 0.163 19600 1957 1 7 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.379 -0.145 19600 1958 1 7 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.050 0.166 19600 1959 1 7 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.478 2.088 19600 1960 1 7 . 1 1 3 3 ARG N N 3 122.101 122.101 121.595 0.506 19600 1961 1 7 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.350 -0.299 19600 1962 1 7 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.858 0.650 19600 1963 1 7 . 1 1 3 3 ARG CB C 3 30.742 30.742 33.076 -2.334 19600 1964 1 7 . 1 1 3 3 ARG H H 3 8.377 8.377 8.412 -0.035 19600 1965 1 7 . 1 1 4 4 LYS N N 4 123.421 123.421 123.535 -0.114 19600 1966 1 7 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.554 -0.534 19600 1967 1 7 . 1 1 4 4 LYS CA C 4 56.582 56.582 56.966 -0.384 19600 1968 1 7 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.978 -0.776 19600 1969 1 7 . 1 1 4 4 LYS H H 4 8.278 8.278 9.192 -0.914 19600 1970 1 7 . 1 1 5 5 ASN N N 5 120.133 120.133 115.006 5.127 19600 1971 1 7 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.809 -0.389 19600 1972 1 7 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.800 -0.428 19600 1973 1 7 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.859 -0.963 19600 1974 1 7 . 1 1 5 5 ASN H H 5 8.318 8.318 8.697 -0.379 19600 1975 1 7 . 1 1 6 6 ARG N N 6 121.990 121.990 120.866 1.124 19600 1976 1 7 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.491 -0.452 19600 1977 1 7 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.125 0.414 19600 1978 1 7 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.425 0.304 19600 1979 1 7 . 1 1 6 6 ARG H H 6 8.185 8.185 8.455 -0.270 19600 1980 1 7 . 1 1 7 7 ARG N N 7 122.520 122.520 119.914 2.606 19600 1981 1 7 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.018 -0.008 19600 1982 1 7 . 1 1 7 7 ARG CA C 7 56.473 56.473 57.390 -0.917 19600 1983 1 7 . 1 1 7 7 ARG CB C 7 30.901 30.901 30.436 0.465 19600 1984 1 7 . 1 1 7 7 ARG H H 7 8.237 8.237 8.558 -0.321 19600 1985 1 7 . 1 1 8 8 GLU N N 8 121.543 121.543 118.483 3.060 19600 1986 1 7 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.153 -0.134 19600 1987 1 7 . 1 1 8 8 GLU CA C 8 56.546 56.546 54.954 1.592 19600 1988 1 7 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.339 0.220 19600 1989 1 7 . 1 1 8 8 GLU H H 8 7.971 7.971 8.095 -0.124 19600 1990 1 7 . 1 1 9 9 ARG N N 9 122.730 122.730 119.424 3.306 19600 1991 1 7 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.030 0.121 19600 1992 1 7 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.691 -2.296 19600 1993 1 7 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.321 0.632 19600 1994 1 7 . 1 1 9 9 ARG H H 9 8.290 8.290 8.389 -0.099 19600 1995 1 7 . 1 1 10 10 THR N N 10 116.410 116.410 106.615 9.795 19600 1996 1 7 . 1 1 10 10 THR HA H 10 4.073 4.073 4.266 -0.193 19600 1997 1 7 . 1 1 10 10 THR CA C 10 62.073 62.073 61.148 0.925 19600 1998 1 7 . 1 1 10 10 THR CB C 10 70.102 70.102 70.225 -0.123 19600 1999 1 7 . 1 1 10 10 THR H H 10 8.132 8.132 7.294 0.838 19600 2000 1 7 . 1 1 11 11 THR N N 11 117.607 117.607 114.542 3.065 19600 2001 1 7 . 1 1 11 11 THR HA H 11 4.101 4.101 3.794 0.307 19600 2002 1 7 . 1 1 11 11 THR CA C 11 61.581 61.581 64.280 -2.699 19600 2003 1 7 . 1 1 11 11 THR CB C 11 70.193 70.193 68.979 1.214 19600 2004 1 7 . 1 1 11 11 THR H H 11 7.868 7.868 8.254 -0.386 19600 2005 1 7 . 1 1 12 12 TYR N N 12 122.200 122.200 119.437 2.763 19600 2006 1 7 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.652 -0.054 19600 2007 1 7 . 1 1 12 12 TYR CA C 12 57.101 57.101 57.542 -0.441 19600 2008 1 7 . 1 1 12 12 TYR CB C 12 40.517 40.517 40.886 -0.369 19600 2009 1 7 . 1 1 12 12 TYR H H 12 8.053 8.053 7.955 0.098 19600 2010 1 7 . 1 1 13 13 SER N N 13 119.084 119.084 116.911 2.173 19600 2011 1 7 . 1 1 13 13 SER HA H 13 4.340 4.340 4.801 -0.461 19600 2012 1 7 . 1 1 13 13 SER CA C 13 56.906 56.906 56.646 0.260 19600 2013 1 7 . 1 1 13 13 SER CB C 13 65.860 65.860 66.396 -0.536 19600 2014 1 7 . 1 1 13 13 SER H H 13 8.976 8.976 8.137 0.839 19600 2015 1 7 . 1 1 14 14 ARG N N 14 121.463 121.463 121.466 -0.003 19600 2016 1 7 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.339 -0.589 19600 2017 1 7 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.489 1.489 19600 2018 1 7 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.258 -0.812 19600 2019 1 7 . 1 1 14 14 ARG H H 14 8.824 8.824 8.824 -0.000 19600 2020 1 7 . 1 1 15 15 GLN N N 15 117.760 117.760 119.805 -2.045 19600 2021 1 7 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.967 -0.150 19600 2022 1 7 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.696 -0.090 19600 2023 1 7 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.788 0.442 19600 2024 1 7 . 1 1 15 15 GLN H H 15 8.341 8.341 8.752 -0.411 19600 2025 1 7 . 1 1 16 16 GLN N N 16 117.933 117.933 117.147 0.786 19600 2026 1 7 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.053 -0.551 19600 2027 1 7 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.725 0.808 19600 2028 1 7 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.684 0.746 19600 2029 1 7 . 1 1 16 16 GLN H H 16 7.487 7.487 8.688 -1.201 19600 2030 1 7 . 1 1 17 17 LEU N N 17 117.025 117.025 115.563 1.462 19600 2031 1 7 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.301 -0.929 19600 2032 1 7 . 1 1 17 17 LEU CA C 17 57.761 57.761 56.166 1.595 19600 2033 1 7 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.657 -0.165 19600 2034 1 7 . 1 1 17 17 LEU H H 17 8.070 8.070 7.419 0.651 19600 2035 1 7 . 1 1 18 18 GLU N N 18 118.469 118.469 121.335 -2.866 19600 2036 1 7 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.147 -0.417 19600 2037 1 7 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.510 0.257 19600 2038 1 7 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.598 -0.047 19600 2039 1 7 . 1 1 18 18 GLU H H 18 7.857 7.857 7.909 -0.052 19600 2040 1 7 . 1 1 19 19 ILE N N 19 121.154 121.154 118.860 2.294 19600 2041 1 7 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.752 -0.332 19600 2042 1 7 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.846 -1.308 19600 2043 1 7 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.587 0.104 19600 2044 1 7 . 1 1 19 19 ILE H H 19 7.076 7.076 7.756 -0.680 19600 2045 1 7 . 1 1 20 20 LEU N N 20 122.911 122.911 117.224 5.687 19600 2046 1 7 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.574 -1.250 19600 2047 1 7 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.750 1.967 19600 2048 1 7 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.176 -1.615 19600 2049 1 7 . 1 1 20 20 LEU H H 20 7.600 7.600 7.307 0.293 19600 2050 1 7 . 1 1 21 21 GLU N N 21 118.448 118.448 119.902 -1.454 19600 2051 1 7 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.145 -0.133 19600 2052 1 7 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.452 -0.524 19600 2053 1 7 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.624 -0.483 19600 2054 1 7 . 1 1 21 21 GLU H H 21 8.354 8.354 8.047 0.307 19600 2055 1 7 . 1 1 22 22 THR N N 22 116.336 116.336 113.668 2.668 19600 2056 1 7 . 1 1 22 22 THR HA H 22 3.745 3.745 4.308 -0.563 19600 2057 1 7 . 1 1 22 22 THR CA C 22 67.433 67.433 65.530 1.903 19600 2058 1 7 . 1 1 22 22 THR CB C 22 68.490 68.490 69.538 -1.048 19600 2059 1 7 . 1 1 22 22 THR H H 22 7.703 7.703 8.525 -0.822 19600 2060 1 7 . 1 1 23 23 LEU N N 23 123.532 123.532 123.123 0.409 19600 2061 1 7 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.153 0.046 19600 2062 1 7 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.170 0.125 19600 2063 1 7 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.022 -1.185 19600 2064 1 7 . 1 1 23 23 LEU H H 23 7.501 7.501 7.679 -0.178 19600 2065 1 7 . 1 1 24 24 PHE N N 24 120.756 120.756 119.500 1.256 19600 2066 1 7 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.261 0.174 19600 2067 1 7 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.733 0.599 19600 2068 1 7 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.831 0.147 19600 2069 1 7 . 1 1 24 24 PHE H H 24 8.708 8.708 8.391 0.317 19600 2070 1 7 . 1 1 25 25 ASN N N 25 113.604 113.604 115.639 -2.035 19600 2071 1 7 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.202 -0.128 19600 2072 1 7 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.734 0.615 19600 2073 1 7 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.911 -0.111 19600 2074 1 7 . 1 1 25 25 ASN H H 25 7.827 7.827 7.754 0.073 19600 2075 1 7 . 1 1 26 26 GLU N N 26 120.985 120.985 119.378 1.607 19600 2076 1 7 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.095 -0.124 19600 2077 1 7 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.408 0.093 19600 2078 1 7 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.398 -0.309 19600 2079 1 7 . 1 1 26 26 GLU H H 26 7.532 7.532 8.148 -0.616 19600 2080 1 7 . 1 1 27 27 THR N N 27 115.986 115.986 107.760 8.226 19600 2081 1 7 . 1 1 27 27 THR HA H 27 4.085 4.085 4.324 -0.239 19600 2082 1 7 . 1 1 27 27 THR CA C 27 59.365 59.365 60.928 -1.563 19600 2083 1 7 . 1 1 27 27 THR CB C 27 69.151 69.151 69.510 -0.359 19600 2084 1 7 . 1 1 27 27 THR H H 27 8.719 8.719 7.933 0.786 19600 2085 1 7 . 1 1 28 28 GLN N N 28 122.144 122.144 119.707 2.437 19600 2086 1 7 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.524 -0.870 19600 2087 1 7 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.360 1.860 19600 2088 1 7 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.833 -1.773 19600 2089 1 7 . 1 1 28 28 GLN H H 28 7.963 7.963 8.073 -0.110 19600 2090 1 7 . 1 1 29 29 TYR N N 29 114.355 114.355 120.330 -5.975 19600 2091 1 7 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.861 -0.432 19600 2092 1 7 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.263 2.194 19600 2093 1 7 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.808 1.189 19600 2094 1 7 . 1 1 29 29 TYR H H 29 7.680 7.680 7.753 -0.073 19600 2095 1 7 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.318 -0.244 19600 2096 1 7 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.028 -0.625 19600 2097 1 7 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.864 0.822 19600 2098 1 7 . 1 1 31 31 ASP N N 31 123.957 123.957 123.249 0.708 19600 2099 1 7 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.814 -0.623 19600 2100 1 7 . 1 1 31 31 ASP CA C 31 52.813 52.813 53.150 -0.337 19600 2101 1 7 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.245 -3.158 19600 2102 1 7 . 1 1 31 31 ASP H H 31 8.496 8.496 7.981 0.515 19600 2103 1 7 . 1 1 32 32 VAL N N 32 117.950 117.950 119.062 -1.112 19600 2104 1 7 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.756 -0.558 19600 2105 1 7 . 1 1 32 32 VAL CA C 32 66.250 66.250 65.426 0.824 19600 2106 1 7 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.536 -0.043 19600 2107 1 7 . 1 1 32 32 VAL H H 32 8.162 8.162 8.397 -0.235 19600 2108 1 7 . 1 1 33 33 PHE N N 33 120.199 120.199 118.973 1.226 19600 2109 1 7 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.222 -0.186 19600 2110 1 7 . 1 1 33 33 PHE CA C 33 60.514 60.514 60.944 -0.430 19600 2111 1 7 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.526 -0.593 19600 2112 1 7 . 1 1 33 33 PHE H H 33 6.841 6.841 8.395 -1.554 19600 2113 1 7 . 1 1 34 34 ALA N N 34 123.742 123.742 121.388 2.354 19600 2114 1 7 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.028 -0.146 19600 2115 1 7 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.267 0.875 19600 2116 1 7 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.128 -0.570 19600 2117 1 7 . 1 1 34 34 ALA H H 34 8.139 8.139 7.966 0.173 19600 2118 1 7 . 1 1 35 35 ARG N N 35 116.197 116.197 118.524 -2.327 19600 2119 1 7 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.839 -0.285 19600 2120 1 7 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.228 1.519 19600 2121 1 7 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.583 1.587 19600 2122 1 7 . 1 1 35 35 ARG H H 35 8.281 8.281 7.882 0.399 19600 2123 1 7 . 1 1 36 36 GLU N N 36 119.133 119.133 118.154 0.979 19600 2124 1 7 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.002 -0.305 19600 2125 1 7 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.813 0.897 19600 2126 1 7 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.470 -0.020 19600 2127 1 7 . 1 1 36 36 GLU H H 36 8.382 8.382 8.376 0.006 19600 2128 1 7 . 1 1 37 37 ARG N N 37 119.597 119.597 118.684 0.913 19600 2129 1 7 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.115 -0.203 19600 2130 1 7 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.660 1.032 19600 2131 1 7 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.796 -0.793 19600 2132 1 7 . 1 1 37 37 ARG H H 37 7.707 7.707 7.519 0.188 19600 2133 1 7 . 1 1 38 38 VAL N N 38 119.099 119.099 117.954 1.145 19600 2134 1 7 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.679 0.096 19600 2135 1 7 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.663 0.156 19600 2136 1 7 . 1 1 38 38 VAL CB C 38 31.643 31.643 31.141 0.502 19600 2137 1 7 . 1 1 38 38 VAL H H 38 7.630 7.630 8.073 -0.444 19600 2138 1 7 . 1 1 39 39 ALA N N 39 124.624 124.624 122.470 2.154 19600 2139 1 7 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.976 -0.285 19600 2140 1 7 . 1 1 39 39 ALA CA C 39 56.414 56.414 54.928 1.486 19600 2141 1 7 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.312 -0.062 19600 2142 1 7 . 1 1 39 39 ALA H H 39 8.196 8.196 8.103 0.093 19600 2143 1 7 . 1 1 40 40 ASP N N 40 115.786 115.786 115.376 0.410 19600 2144 1 7 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.599 -0.402 19600 2145 1 7 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.774 1.041 19600 2146 1 7 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.152 0.155 19600 2147 1 7 . 1 1 40 40 ASP H H 40 7.510 7.510 8.124 -0.614 19600 2148 1 7 . 1 1 41 41 GLN N N 41 118.952 118.952 118.039 0.913 19600 2149 1 7 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.245 -0.410 19600 2150 1 7 . 1 1 41 41 GLN CA C 41 59.319 59.319 58.025 1.294 19600 2151 1 7 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.723 -0.158 19600 2152 1 7 . 1 1 41 41 GLN H H 41 7.643 7.643 7.902 -0.259 19600 2153 1 7 . 1 1 42 42 ILE N N 42 108.381 108.381 111.332 -2.951 19600 2154 1 7 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.512 -0.120 19600 2155 1 7 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.030 -0.238 19600 2156 1 7 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.551 -0.109 19600 2157 1 7 . 1 1 42 42 ILE H H 42 8.076 8.076 7.551 0.525 19600 2158 1 7 . 1 1 43 43 ARG N N 43 119.055 119.055 118.006 1.049 19600 2159 1 7 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.029 -0.291 19600 2160 1 7 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.518 0.305 19600 2161 1 7 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.630 -1.564 19600 2162 1 7 . 1 1 43 43 ARG H H 43 7.588 7.588 7.508 0.080 19600 2163 1 7 . 1 1 44 44 LEU N N 44 119.135 119.135 119.268 -0.133 19600 2164 1 7 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.707 -0.139 19600 2165 1 7 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.116 -0.120 19600 2166 1 7 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.444 2.156 19600 2167 1 7 . 1 1 44 44 LEU H H 44 7.648 7.648 8.256 -0.608 19600 2168 1 7 . 1 1 45 45 GLN N N 45 118.784 118.784 119.891 -1.107 19600 2169 1 7 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.273 -0.208 19600 2170 1 7 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.886 -0.559 19600 2171 1 7 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.528 0.274 19600 2172 1 7 . 1 1 45 45 GLN H H 45 8.107 8.107 8.447 -0.340 19600 2173 1 7 . 1 1 46 46 GLU N N 46 125.074 125.074 123.783 1.291 19600 2174 1 7 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.075 -0.532 19600 2175 1 7 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.070 2.093 19600 2176 1 7 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.264 -0.628 19600 2177 1 7 . 1 1 46 46 GLU H H 46 9.097 9.097 8.890 0.207 19600 2178 1 7 . 1 1 47 47 SER N N 47 113.706 113.706 114.683 -0.977 19600 2179 1 7 . 1 1 47 47 SER HA H 47 3.828 3.828 4.403 -0.575 19600 2180 1 7 . 1 1 47 47 SER CA C 47 61.464 61.464 59.545 1.919 19600 2181 1 7 . 1 1 47 47 SER CB C 47 61.867 61.867 63.036 -1.169 19600 2182 1 7 . 1 1 47 47 SER H H 47 8.533 8.533 8.045 0.488 19600 2183 1 7 . 1 1 48 48 ARG N N 48 121.795 121.795 121.165 0.630 19600 2184 1 7 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.095 -0.047 19600 2185 1 7 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.752 -0.596 19600 2186 1 7 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.764 -0.288 19600 2187 1 7 . 1 1 48 48 ARG H H 48 7.153 7.153 8.171 -1.018 19600 2188 1 7 . 1 1 49 49 ILE N N 49 121.647 121.647 120.699 0.948 19600 2189 1 7 . 1 1 49 49 ILE HA H 49 3.635 3.635 4.049 -0.414 19600 2190 1 7 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.284 0.229 19600 2191 1 7 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.859 -1.036 19600 2192 1 7 . 1 1 49 49 ILE H H 49 7.613 7.613 7.898 -0.285 19600 2193 1 7 . 1 1 50 50 GLN N N 50 118.579 118.579 118.537 0.042 19600 2194 1 7 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.137 -0.004 19600 2195 1 7 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.241 1.232 19600 2196 1 7 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.299 0.734 19600 2197 1 7 . 1 1 50 50 GLN H H 50 8.051 8.051 7.758 0.293 19600 2198 1 7 . 1 1 51 51 VAL N N 51 120.580 120.580 115.021 5.559 19600 2199 1 7 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.828 -0.385 19600 2200 1 7 . 1 1 51 51 VAL CA C 51 67.087 67.087 64.605 2.482 19600 2201 1 7 . 1 1 51 51 VAL CB C 51 32.278 32.278 30.645 1.633 19600 2202 1 7 . 1 1 51 51 VAL H H 51 7.372 7.372 7.550 -0.178 19600 2203 1 7 . 1 1 52 52 TRP N N 52 121.485 121.485 120.926 0.559 19600 2204 1 7 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.557 -0.783 19600 2205 1 7 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.480 5.022 19600 2206 1 7 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.717 -1.329 19600 2207 1 7 . 1 1 52 52 TRP H H 52 8.135 8.135 7.162 0.973 19600 2208 1 7 . 1 1 53 53 PHE N N 53 118.122 118.122 121.302 -3.180 19600 2209 1 7 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.210 -0.789 19600 2210 1 7 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.010 3.977 19600 2211 1 7 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.043 0.309 19600 2212 1 7 . 1 1 53 53 PHE H H 53 8.764 8.764 8.519 0.245 19600 2213 1 7 . 1 1 54 54 LYS N N 54 120.838 120.838 118.600 2.238 19600 2214 1 7 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.787 -0.072 19600 2215 1 7 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.332 3.345 19600 2216 1 7 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.377 -0.186 19600 2217 1 7 . 1 1 54 54 LYS H H 54 7.947 7.947 7.592 0.355 19600 2218 1 7 . 1 1 55 55 ASN N N 55 118.986 118.986 119.585 -0.599 19600 2219 1 7 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.407 -0.286 19600 2220 1 7 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.707 -1.012 19600 2221 1 7 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.450 -0.710 19600 2222 1 7 . 1 1 55 55 ASN H H 55 7.953 7.953 8.361 -0.408 19600 2223 1 7 . 1 1 56 56 ARG N N 56 124.991 124.991 119.220 5.771 19600 2224 1 7 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.142 -0.860 19600 2225 1 7 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.950 -1.101 19600 2226 1 7 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.216 -2.544 19600 2227 1 7 . 1 1 56 56 ARG H H 56 8.263 8.263 8.269 -0.006 19600 2228 1 7 . 1 1 57 57 ARG N N 57 120.173 120.173 120.097 0.076 19600 2229 1 7 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.405 0.384 19600 2230 1 7 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.069 3.111 19600 2231 1 7 . 1 1 57 57 ARG CB C 57 31.525 31.525 28.919 2.606 19600 2232 1 7 . 1 1 57 57 ARG H H 57 8.343 8.343 7.652 0.691 19600 2233 1 7 . 1 1 58 58 ALA N N 58 121.602 121.602 119.327 2.275 19600 2234 1 7 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.481 -0.570 19600 2235 1 7 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.756 1.585 19600 2236 1 7 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.175 -1.399 19600 2237 1 7 . 1 1 58 58 ALA H H 58 7.179 7.179 7.967 -0.788 19600 2238 1 7 . 1 1 59 59 LYS N N 59 119.515 119.515 120.783 -1.268 19600 2239 1 7 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.993 -0.263 19600 2240 1 7 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.315 1.010 19600 2241 1 7 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.700 0.873 19600 2242 1 7 . 1 1 59 59 LYS H H 59 7.463 7.463 7.675 -0.212 19600 2243 1 7 . 1 1 60 60 TYR N N 60 120.152 120.152 118.872 1.280 19600 2244 1 7 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.259 -0.099 19600 2245 1 7 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.002 1.012 19600 2246 1 7 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.336 1.474 19600 2247 1 7 . 1 1 60 60 TYR H H 60 7.874 7.874 7.882 -0.008 19600 2248 1 7 . 1 1 61 61 ARG N N 61 118.122 118.122 118.750 -0.628 19600 2249 1 7 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.560 0.271 19600 2250 1 7 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.406 0.793 19600 2251 1 7 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.974 0.336 19600 2252 1 7 . 1 1 61 61 ARG H H 61 7.943 7.943 7.446 0.497 19600 2253 1 7 . 1 1 62 62 LEU N N 62 119.191 119.191 120.108 -0.917 19600 2254 1 7 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.012 -0.082 19600 2255 1 7 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.855 -0.734 19600 2256 1 7 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.437 0.672 19600 2257 1 7 . 1 1 62 62 LEU H H 62 7.407 7.407 7.308 0.099 19600 2258 1 7 . 1 1 63 63 GLN N N 63 118.201 118.201 117.103 1.098 19600 2259 1 7 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.950 -0.077 19600 2260 1 7 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.684 -1.346 19600 2261 1 7 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.902 0.969 19600 2262 1 7 . 1 1 63 63 GLN H H 63 7.676 7.676 8.489 -0.813 19600 2263 1 7 . 1 1 64 64 GLU N N 64 120.152 120.152 120.027 0.125 19600 2264 1 7 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.994 -0.194 19600 2265 1 7 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.065 -1.562 19600 2266 1 7 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.474 0.713 19600 2267 1 7 . 1 1 64 64 GLU H H 64 7.808 7.808 7.892 -0.084 19600 2268 1 7 . 1 1 65 65 LYS N N 65 120.364 120.364 114.425 5.939 19600 2269 1 7 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.388 -0.402 19600 2270 1 7 . 1 1 65 65 LYS CA C 65 56.871 56.871 56.688 0.183 19600 2271 1 7 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.878 -0.405 19600 2272 1 7 . 1 1 65 65 LYS H H 65 7.695 7.695 7.569 0.126 19600 2273 1 7 . 1 1 66 66 GLN N N 66 120.265 120.265 120.371 -0.106 19600 2274 1 7 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.128 -0.100 19600 2275 1 7 . 1 1 66 66 GLN CA C 66 55.796 55.796 58.217 -2.421 19600 2276 1 7 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.692 -0.393 19600 2277 1 7 . 1 1 66 66 GLN H H 66 7.906 7.906 7.977 -0.071 19600 2278 1 7 . 1 1 67 67 LYS N N 67 124.357 124.357 119.169 5.188 19600 2279 1 7 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.728 -0.412 19600 2280 1 7 . 1 1 67 67 LYS CA C 67 54.596 54.596 53.442 1.154 19600 2281 1 7 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.524 -0.067 19600 2282 1 7 . 1 1 67 67 LYS H H 67 7.963 7.963 7.682 0.281 19600 2283 1 8 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.258 -0.024 19600 2284 1 8 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.817 -0.601 19600 2285 1 8 . 1 1 2 2 PRO CB C 2 32.566 32.566 32.154 0.412 19600 2286 1 8 . 1 1 3 3 ARG N N 3 122.101 122.101 116.847 5.254 19600 2287 1 8 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.103 -0.052 19600 2288 1 8 . 1 1 3 3 ARG CA C 3 56.508 56.508 54.610 1.898 19600 2289 1 8 . 1 1 3 3 ARG CB C 3 30.742 30.742 30.812 -0.070 19600 2290 1 8 . 1 1 3 3 ARG H H 3 8.377 8.377 7.468 0.909 19600 2291 1 8 . 1 1 4 4 LYS N N 4 123.421 123.421 125.078 -1.657 19600 2292 1 8 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.092 -0.072 19600 2293 1 8 . 1 1 4 4 LYS CA C 4 56.582 56.582 58.230 -1.648 19600 2294 1 8 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.901 0.301 19600 2295 1 8 . 1 1 4 4 LYS H H 4 8.278 8.278 8.474 -0.196 19600 2296 1 8 . 1 1 5 5 ASN N N 5 120.133 120.133 115.120 5.013 19600 2297 1 8 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.791 -0.371 19600 2298 1 8 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.364 0.008 19600 2299 1 8 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.554 -0.658 19600 2300 1 8 . 1 1 5 5 ASN H H 5 8.318 8.318 8.296 0.022 19600 2301 1 8 . 1 1 6 6 ARG N N 6 121.990 121.990 120.194 1.796 19600 2302 1 8 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.715 -0.676 19600 2303 1 8 . 1 1 6 6 ARG CA C 6 56.539 56.539 55.233 1.306 19600 2304 1 8 . 1 1 6 6 ARG CB C 6 30.729 30.729 32.947 -2.218 19600 2305 1 8 . 1 1 6 6 ARG H H 6 8.185 8.185 8.437 -0.252 19600 2306 1 8 . 1 1 7 7 ARG N N 7 122.520 122.520 119.754 2.766 19600 2307 1 8 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.822 -0.812 19600 2308 1 8 . 1 1 7 7 ARG CA C 7 56.473 56.473 55.566 0.907 19600 2309 1 8 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.429 -0.528 19600 2310 1 8 . 1 1 7 7 ARG H H 7 8.237 8.237 8.619 -0.382 19600 2311 1 8 . 1 1 8 8 GLU N N 8 121.543 121.543 119.514 2.029 19600 2312 1 8 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.394 -0.375 19600 2313 1 8 . 1 1 8 8 GLU CA C 8 56.546 56.546 57.894 -1.348 19600 2314 1 8 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.198 0.361 19600 2315 1 8 . 1 1 8 8 GLU H H 8 7.971 7.971 9.112 -1.141 19600 2316 1 8 . 1 1 9 9 ARG N N 9 122.730 122.730 119.370 3.360 19600 2317 1 8 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.339 -0.188 19600 2318 1 8 . 1 1 9 9 ARG CA C 9 56.395 56.395 57.864 -1.469 19600 2319 1 8 . 1 1 9 9 ARG CB C 9 30.953 30.953 31.198 -0.245 19600 2320 1 8 . 1 1 9 9 ARG H H 9 8.290 8.290 8.678 -0.388 19600 2321 1 8 . 1 1 10 10 THR N N 10 116.410 116.410 108.107 8.303 19600 2322 1 8 . 1 1 10 10 THR HA H 10 4.073 4.073 4.407 -0.334 19600 2323 1 8 . 1 1 10 10 THR CA C 10 62.073 62.073 61.113 0.960 19600 2324 1 8 . 1 1 10 10 THR CB C 10 70.102 70.102 69.156 0.946 19600 2325 1 8 . 1 1 10 10 THR H H 10 8.132 8.132 7.543 0.589 19600 2326 1 8 . 1 1 11 11 THR N N 11 117.607 117.607 116.501 1.106 19600 2327 1 8 . 1 1 11 11 THR HA H 11 4.101 4.101 4.074 0.027 19600 2328 1 8 . 1 1 11 11 THR CA C 11 61.581 61.581 64.332 -2.751 19600 2329 1 8 . 1 1 11 11 THR CB C 11 70.193 70.193 68.877 1.316 19600 2330 1 8 . 1 1 11 11 THR H H 11 7.868 7.868 8.334 -0.466 19600 2331 1 8 . 1 1 12 12 TYR N N 12 122.200 122.200 114.247 7.953 19600 2332 1 8 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.848 -0.250 19600 2333 1 8 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.797 1.304 19600 2334 1 8 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.571 0.946 19600 2335 1 8 . 1 1 12 12 TYR H H 12 8.053 8.053 7.095 0.958 19600 2336 1 8 . 1 1 13 13 SER N N 13 119.084 119.084 117.846 1.238 19600 2337 1 8 . 1 1 13 13 SER HA H 13 4.340 4.340 4.959 -0.619 19600 2338 1 8 . 1 1 13 13 SER CA C 13 56.906 56.906 56.604 0.302 19600 2339 1 8 . 1 1 13 13 SER CB C 13 65.860 65.860 65.656 0.204 19600 2340 1 8 . 1 1 13 13 SER H H 13 8.976 8.976 8.556 0.420 19600 2341 1 8 . 1 1 14 14 ARG N N 14 121.463 121.463 120.479 0.984 19600 2342 1 8 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.342 -0.592 19600 2343 1 8 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.046 1.932 19600 2344 1 8 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.139 -0.694 19600 2345 1 8 . 1 1 14 14 ARG H H 14 8.824 8.824 8.815 0.009 19600 2346 1 8 . 1 1 15 15 GLN N N 15 117.760 117.760 119.572 -1.812 19600 2347 1 8 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.900 -0.083 19600 2348 1 8 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.282 0.324 19600 2349 1 8 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.871 0.359 19600 2350 1 8 . 1 1 15 15 GLN H H 15 8.341 8.341 7.743 0.598 19600 2351 1 8 . 1 1 16 16 GLN N N 16 117.933 117.933 116.500 1.433 19600 2352 1 8 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.168 -0.666 19600 2353 1 8 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.240 1.293 19600 2354 1 8 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.085 0.344 19600 2355 1 8 . 1 1 16 16 GLN H H 16 7.487 7.487 8.465 -0.978 19600 2356 1 8 . 1 1 17 17 LEU N N 17 117.025 117.025 116.283 0.742 19600 2357 1 8 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.291 -0.919 19600 2358 1 8 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.595 2.166 19600 2359 1 8 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.036 -0.544 19600 2360 1 8 . 1 1 17 17 LEU H H 17 8.070 8.070 7.699 0.371 19600 2361 1 8 . 1 1 18 18 GLU N N 18 118.469 118.469 121.236 -2.767 19600 2362 1 8 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.154 -0.424 19600 2363 1 8 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.442 0.325 19600 2364 1 8 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.561 -0.010 19600 2365 1 8 . 1 1 18 18 GLU H H 18 7.857 7.857 8.024 -0.167 19600 2366 1 8 . 1 1 19 19 ILE N N 19 121.154 121.154 118.847 2.307 19600 2367 1 8 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.765 -0.345 19600 2368 1 8 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.822 -1.285 19600 2369 1 8 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.605 0.086 19600 2370 1 8 . 1 1 19 19 ILE H H 19 7.076 7.076 7.691 -0.615 19600 2371 1 8 . 1 1 20 20 LEU N N 20 122.911 122.911 117.248 5.663 19600 2372 1 8 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.579 -1.255 19600 2373 1 8 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.726 1.991 19600 2374 1 8 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.149 -1.587 19600 2375 1 8 . 1 1 20 20 LEU H H 20 7.600 7.600 7.300 0.300 19600 2376 1 8 . 1 1 21 21 GLU N N 21 118.448 118.448 119.785 -1.337 19600 2377 1 8 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.112 -0.100 19600 2378 1 8 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.404 -0.476 19600 2379 1 8 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.614 -0.473 19600 2380 1 8 . 1 1 21 21 GLU H H 21 8.354 8.354 7.980 0.374 19600 2381 1 8 . 1 1 22 22 THR N N 22 116.336 116.336 113.110 3.226 19600 2382 1 8 . 1 1 22 22 THR HA H 22 3.745 3.745 4.333 -0.588 19600 2383 1 8 . 1 1 22 22 THR CA C 22 67.433 67.433 66.008 1.425 19600 2384 1 8 . 1 1 22 22 THR CB C 22 68.490 68.490 69.615 -1.125 19600 2385 1 8 . 1 1 22 22 THR H H 22 7.703 7.703 8.488 -0.785 19600 2386 1 8 . 1 1 23 23 LEU N N 23 123.532 123.532 123.290 0.242 19600 2387 1 8 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.172 0.027 19600 2388 1 8 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.070 0.225 19600 2389 1 8 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.012 -1.175 19600 2390 1 8 . 1 1 23 23 LEU H H 23 7.501 7.501 7.723 -0.222 19600 2391 1 8 . 1 1 24 24 PHE N N 24 120.756 120.756 118.791 1.965 19600 2392 1 8 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.192 0.243 19600 2393 1 8 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.907 0.425 19600 2394 1 8 . 1 1 24 24 PHE CB C 24 38.978 38.978 39.018 -0.040 19600 2395 1 8 . 1 1 24 24 PHE H H 24 8.708 8.708 8.286 0.422 19600 2396 1 8 . 1 1 25 25 ASN N N 25 113.604 113.604 116.008 -2.404 19600 2397 1 8 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.488 -0.414 19600 2398 1 8 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.250 0.099 19600 2399 1 8 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.995 -0.195 19600 2400 1 8 . 1 1 25 25 ASN H H 25 7.827 7.827 7.820 0.007 19600 2401 1 8 . 1 1 26 26 GLU N N 26 120.985 120.985 119.360 1.625 19600 2402 1 8 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.115 -0.144 19600 2403 1 8 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.621 -0.120 19600 2404 1 8 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.443 -0.355 19600 2405 1 8 . 1 1 26 26 GLU H H 26 7.532 7.532 8.025 -0.493 19600 2406 1 8 . 1 1 27 27 THR N N 27 115.986 115.986 110.737 5.249 19600 2407 1 8 . 1 1 27 27 THR HA H 27 4.085 4.085 4.213 -0.128 19600 2408 1 8 . 1 1 27 27 THR CA C 27 59.365 59.365 61.505 -2.140 19600 2409 1 8 . 1 1 27 27 THR CB C 27 69.151 69.151 69.332 -0.181 19600 2410 1 8 . 1 1 27 27 THR H H 27 8.719 8.719 8.000 0.719 19600 2411 1 8 . 1 1 28 28 GLN N N 28 122.144 122.144 122.428 -0.284 19600 2412 1 8 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.368 -0.714 19600 2413 1 8 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.615 1.605 19600 2414 1 8 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.404 -1.344 19600 2415 1 8 . 1 1 28 28 GLN H H 28 7.963 7.963 8.038 -0.075 19600 2416 1 8 . 1 1 29 29 TYR N N 29 114.355 114.355 119.887 -5.532 19600 2417 1 8 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.885 -0.456 19600 2418 1 8 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.313 2.144 19600 2419 1 8 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.860 1.137 19600 2420 1 8 . 1 1 29 29 TYR H H 29 7.680 7.680 7.634 0.046 19600 2421 1 8 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.352 -0.278 19600 2422 1 8 . 1 1 30 30 PRO CA C 30 62.403 62.403 62.984 -0.581 19600 2423 1 8 . 1 1 30 30 PRO CB C 30 31.686 31.686 31.007 0.679 19600 2424 1 8 . 1 1 31 31 ASP N N 31 123.957 123.957 122.352 1.605 19600 2425 1 8 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.963 -0.772 19600 2426 1 8 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.273 0.540 19600 2427 1 8 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.816 -3.729 19600 2428 1 8 . 1 1 31 31 ASP H H 31 8.496 8.496 7.999 0.497 19600 2429 1 8 . 1 1 32 32 VAL N N 32 117.950 117.950 119.509 -1.559 19600 2430 1 8 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.743 -0.544 19600 2431 1 8 . 1 1 32 32 VAL CA C 32 66.250 66.250 65.424 0.826 19600 2432 1 8 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.566 -0.073 19600 2433 1 8 . 1 1 32 32 VAL H H 32 8.162 8.162 8.369 -0.207 19600 2434 1 8 . 1 1 33 33 PHE N N 33 120.199 120.199 119.245 0.954 19600 2435 1 8 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.157 -0.121 19600 2436 1 8 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.194 -0.680 19600 2437 1 8 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.514 -0.581 19600 2438 1 8 . 1 1 33 33 PHE H H 33 6.841 6.841 8.388 -1.547 19600 2439 1 8 . 1 1 34 34 ALA N N 34 123.742 123.742 121.789 1.953 19600 2440 1 8 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.120 -0.238 19600 2441 1 8 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.239 0.903 19600 2442 1 8 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.037 -0.478 19600 2443 1 8 . 1 1 34 34 ALA H H 34 8.139 8.139 8.037 0.102 19600 2444 1 8 . 1 1 35 35 ARG N N 35 116.197 116.197 118.974 -2.777 19600 2445 1 8 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.826 -0.272 19600 2446 1 8 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.281 1.466 19600 2447 1 8 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.623 1.547 19600 2448 1 8 . 1 1 35 35 ARG H H 35 8.281 8.281 7.944 0.337 19600 2449 1 8 . 1 1 36 36 GLU N N 36 119.133 119.133 118.110 1.023 19600 2450 1 8 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.981 -0.284 19600 2451 1 8 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.737 0.973 19600 2452 1 8 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.461 -0.011 19600 2453 1 8 . 1 1 36 36 GLU H H 36 8.382 8.382 8.303 0.079 19600 2454 1 8 . 1 1 37 37 ARG N N 37 119.597 119.597 118.907 0.690 19600 2455 1 8 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.136 -0.224 19600 2456 1 8 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.838 0.855 19600 2457 1 8 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.666 -0.663 19600 2458 1 8 . 1 1 37 37 ARG H H 37 7.707 7.707 7.568 0.139 19600 2459 1 8 . 1 1 38 38 VAL N N 38 119.099 119.099 118.056 1.043 19600 2460 1 8 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.740 0.035 19600 2461 1 8 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.403 0.417 19600 2462 1 8 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.426 1.217 19600 2463 1 8 . 1 1 38 38 VAL H H 38 7.630 7.630 8.147 -0.517 19600 2464 1 8 . 1 1 39 39 ALA N N 39 124.624 124.624 123.042 1.582 19600 2465 1 8 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.936 -0.245 19600 2466 1 8 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.071 1.343 19600 2467 1 8 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.267 -0.017 19600 2468 1 8 . 1 1 39 39 ALA H H 39 8.196 8.196 7.933 0.264 19600 2469 1 8 . 1 1 40 40 ASP N N 40 115.786 115.786 115.880 -0.094 19600 2470 1 8 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.635 -0.438 19600 2471 1 8 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.880 0.935 19600 2472 1 8 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.229 0.078 19600 2473 1 8 . 1 1 40 40 ASP H H 40 7.510 7.510 8.074 -0.564 19600 2474 1 8 . 1 1 41 41 GLN N N 41 118.952 118.952 117.557 1.395 19600 2475 1 8 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.225 -0.390 19600 2476 1 8 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.712 1.607 19600 2477 1 8 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.367 0.198 19600 2478 1 8 . 1 1 41 41 GLN H H 41 7.643 7.643 7.794 -0.151 19600 2479 1 8 . 1 1 42 42 ILE N N 42 108.381 108.381 112.724 -4.343 19600 2480 1 8 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.371 0.021 19600 2481 1 8 . 1 1 42 42 ILE CA C 42 60.792 60.792 60.885 -0.093 19600 2482 1 8 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.953 -0.510 19600 2483 1 8 . 1 1 42 42 ILE H H 42 8.076 8.076 7.693 0.383 19600 2484 1 8 . 1 1 43 43 ARG N N 43 119.055 119.055 118.153 0.902 19600 2485 1 8 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.026 -0.288 19600 2486 1 8 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.474 0.349 19600 2487 1 8 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.645 -1.579 19600 2488 1 8 . 1 1 43 43 ARG H H 43 7.588 7.588 7.510 0.078 19600 2489 1 8 . 1 1 44 44 LEU N N 44 119.135 119.135 119.277 -0.142 19600 2490 1 8 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.609 -0.041 19600 2491 1 8 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.026 -0.031 19600 2492 1 8 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.354 2.246 19600 2493 1 8 . 1 1 44 44 LEU H H 44 7.648 7.648 8.179 -0.531 19600 2494 1 8 . 1 1 45 45 GLN N N 45 118.784 118.784 120.456 -1.672 19600 2495 1 8 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.207 -0.142 19600 2496 1 8 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.606 -0.279 19600 2497 1 8 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.536 0.266 19600 2498 1 8 . 1 1 45 45 GLN H H 45 8.107 8.107 8.317 -0.210 19600 2499 1 8 . 1 1 46 46 GLU N N 46 125.074 125.074 125.323 -0.249 19600 2500 1 8 . 1 1 46 46 GLU HA H 46 3.543 3.543 3.945 -0.402 19600 2501 1 8 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.348 1.815 19600 2502 1 8 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.400 -0.764 19600 2503 1 8 . 1 1 46 46 GLU H H 46 9.097 9.097 8.957 0.140 19600 2504 1 8 . 1 1 47 47 SER N N 47 113.706 113.706 114.334 -0.628 19600 2505 1 8 . 1 1 47 47 SER HA H 47 3.828 3.828 4.305 -0.477 19600 2506 1 8 . 1 1 47 47 SER CA C 47 61.464 61.464 59.567 1.897 19600 2507 1 8 . 1 1 47 47 SER CB C 47 61.867 61.867 62.923 -1.056 19600 2508 1 8 . 1 1 47 47 SER H H 47 8.533 8.533 8.160 0.373 19600 2509 1 8 . 1 1 48 48 ARG N N 48 121.795 121.795 121.062 0.733 19600 2510 1 8 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.168 -0.120 19600 2511 1 8 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.758 0.398 19600 2512 1 8 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.512 -0.038 19600 2513 1 8 . 1 1 48 48 ARG H H 48 7.153 7.153 7.824 -0.671 19600 2514 1 8 . 1 1 49 49 ILE N N 49 121.647 121.647 121.320 0.327 19600 2515 1 8 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.639 -0.004 19600 2516 1 8 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.160 0.353 19600 2517 1 8 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.708 -0.885 19600 2518 1 8 . 1 1 49 49 ILE H H 49 7.613 7.613 8.438 -0.825 19600 2519 1 8 . 1 1 50 50 GLN N N 50 118.579 118.579 118.668 -0.089 19600 2520 1 8 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.116 0.017 19600 2521 1 8 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.134 1.339 19600 2522 1 8 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.527 0.505 19600 2523 1 8 . 1 1 50 50 GLN H H 50 8.051 8.051 8.032 0.019 19600 2524 1 8 . 1 1 51 51 VAL N N 51 120.580 120.580 115.450 5.130 19600 2525 1 8 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.951 -0.508 19600 2526 1 8 . 1 1 51 51 VAL CA C 51 67.087 67.087 66.069 1.018 19600 2527 1 8 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.623 0.655 19600 2528 1 8 . 1 1 51 51 VAL H H 51 7.372 7.372 7.796 -0.424 19600 2529 1 8 . 1 1 52 52 TRP N N 52 121.485 121.485 120.074 1.411 19600 2530 1 8 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.672 -0.898 19600 2531 1 8 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.620 4.882 19600 2532 1 8 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.241 -0.852 19600 2533 1 8 . 1 1 52 52 TRP H H 52 8.135 8.135 7.361 0.774 19600 2534 1 8 . 1 1 53 53 PHE N N 53 118.122 118.122 121.218 -3.096 19600 2535 1 8 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.187 -0.766 19600 2536 1 8 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.016 3.971 19600 2537 1 8 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.947 0.405 19600 2538 1 8 . 1 1 53 53 PHE H H 53 8.764 8.764 8.441 0.323 19600 2539 1 8 . 1 1 54 54 LYS N N 54 120.838 120.838 118.324 2.514 19600 2540 1 8 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.881 -0.166 19600 2541 1 8 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.179 3.498 19600 2542 1 8 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.449 -0.258 19600 2543 1 8 . 1 1 54 54 LYS H H 54 7.947 7.947 7.699 0.248 19600 2544 1 8 . 1 1 55 55 ASN N N 55 118.986 118.986 119.746 -0.760 19600 2545 1 8 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.249 -0.128 19600 2546 1 8 . 1 1 55 55 ASN CA C 55 55.695 55.695 57.090 -1.395 19600 2547 1 8 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.378 -0.638 19600 2548 1 8 . 1 1 55 55 ASN H H 55 7.953 7.953 8.357 -0.404 19600 2549 1 8 . 1 1 56 56 ARG N N 56 124.991 124.991 119.251 5.740 19600 2550 1 8 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.066 -0.784 19600 2551 1 8 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.821 -0.973 19600 2552 1 8 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.160 -2.487 19600 2553 1 8 . 1 1 56 56 ARG H H 56 8.263 8.263 8.121 0.142 19600 2554 1 8 . 1 1 57 57 ARG N N 57 120.173 120.173 119.867 0.306 19600 2555 1 8 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.579 0.210 19600 2556 1 8 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.379 2.800 19600 2557 1 8 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.386 2.139 19600 2558 1 8 . 1 1 57 57 ARG H H 57 8.343 8.343 7.615 0.728 19600 2559 1 8 . 1 1 58 58 ALA N N 58 121.602 121.602 119.619 1.983 19600 2560 1 8 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.477 -0.566 19600 2561 1 8 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.727 1.614 19600 2562 1 8 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.143 -1.367 19600 2563 1 8 . 1 1 58 58 ALA H H 58 7.179 7.179 8.101 -0.922 19600 2564 1 8 . 1 1 59 59 LYS N N 59 119.515 119.515 120.747 -1.232 19600 2565 1 8 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.975 -0.245 19600 2566 1 8 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.160 1.165 19600 2567 1 8 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.663 0.910 19600 2568 1 8 . 1 1 59 59 LYS H H 59 7.463 7.463 7.638 -0.175 19600 2569 1 8 . 1 1 60 60 TYR N N 60 120.152 120.152 118.763 1.389 19600 2570 1 8 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.028 0.132 19600 2571 1 8 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.058 0.956 19600 2572 1 8 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.457 1.353 19600 2573 1 8 . 1 1 60 60 TYR H H 60 7.874 7.874 7.848 0.026 19600 2574 1 8 . 1 1 61 61 ARG N N 61 118.122 118.122 117.835 0.287 19600 2575 1 8 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.484 0.347 19600 2576 1 8 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.660 1.539 19600 2577 1 8 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.352 0.958 19600 2578 1 8 . 1 1 61 61 ARG H H 61 7.943 7.943 7.563 0.380 19600 2579 1 8 . 1 1 62 62 LEU N N 62 119.191 119.191 121.263 -2.072 19600 2580 1 8 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.032 -0.102 19600 2581 1 8 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.580 -0.459 19600 2582 1 8 . 1 1 62 62 LEU CB C 62 42.109 42.109 42.242 -0.133 19600 2583 1 8 . 1 1 62 62 LEU H H 62 7.407 7.407 7.675 -0.268 19600 2584 1 8 . 1 1 63 63 GLN N N 63 118.201 118.201 117.032 1.169 19600 2585 1 8 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.933 -0.060 19600 2586 1 8 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.486 -1.149 19600 2587 1 8 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.850 1.021 19600 2588 1 8 . 1 1 63 63 GLN H H 63 7.676 7.676 8.165 -0.489 19600 2589 1 8 . 1 1 64 64 GLU N N 64 120.152 120.152 120.440 -0.288 19600 2590 1 8 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.023 -0.223 19600 2591 1 8 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.930 -1.427 19600 2592 1 8 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.455 0.732 19600 2593 1 8 . 1 1 64 64 GLU H H 64 7.808 7.808 7.862 -0.054 19600 2594 1 8 . 1 1 65 65 LYS N N 65 120.364 120.364 114.435 5.929 19600 2595 1 8 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.435 -0.449 19600 2596 1 8 . 1 1 65 65 LYS CA C 65 56.871 56.871 56.734 0.137 19600 2597 1 8 . 1 1 65 65 LYS CB C 65 32.473 32.473 33.326 -0.853 19600 2598 1 8 . 1 1 65 65 LYS H H 65 7.695 7.695 7.661 0.034 19600 2599 1 8 . 1 1 66 66 GLN N N 66 120.265 120.265 119.758 0.507 19600 2600 1 8 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.197 -0.169 19600 2601 1 8 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.158 -1.362 19600 2602 1 8 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.149 0.150 19600 2603 1 8 . 1 1 66 66 GLN H H 66 7.906 7.906 7.877 0.029 19600 2604 1 8 . 1 1 67 67 LYS N N 67 124.357 124.357 119.541 4.816 19600 2605 1 8 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.426 -0.110 19600 2606 1 8 . 1 1 67 67 LYS CA C 67 54.596 54.596 54.529 0.067 19600 2607 1 8 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.114 0.343 19600 2608 1 8 . 1 1 67 67 LYS H H 67 7.963 7.963 7.634 0.329 19600 2609 1 9 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.483 -0.249 19600 2610 1 9 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.197 0.019 19600 2611 1 9 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.621 1.945 19600 2612 1 9 . 1 1 3 3 ARG N N 3 122.101 122.101 121.594 0.507 19600 2613 1 9 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.719 -0.668 19600 2614 1 9 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.453 0.055 19600 2615 1 9 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.668 -1.926 19600 2616 1 9 . 1 1 3 3 ARG H H 3 8.377 8.377 8.339 0.038 19600 2617 1 9 . 1 1 4 4 LYS N N 4 123.421 123.421 124.815 -1.394 19600 2618 1 9 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.329 -0.309 19600 2619 1 9 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.761 -1.179 19600 2620 1 9 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.857 0.345 19600 2621 1 9 . 1 1 4 4 LYS H H 4 8.278 8.278 8.990 -0.712 19600 2622 1 9 . 1 1 5 5 ASN N N 5 120.133 120.133 117.260 2.873 19600 2623 1 9 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.698 -0.278 19600 2624 1 9 . 1 1 5 5 ASN CA C 5 53.372 53.372 54.296 -0.924 19600 2625 1 9 . 1 1 5 5 ASN CB C 5 38.896 38.896 38.966 -0.070 19600 2626 1 9 . 1 1 5 5 ASN H H 5 8.318 8.318 8.567 -0.249 19600 2627 1 9 . 1 1 6 6 ARG N N 6 121.990 121.990 119.746 2.244 19600 2628 1 9 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.642 -0.603 19600 2629 1 9 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.438 0.101 19600 2630 1 9 . 1 1 6 6 ARG CB C 6 30.729 30.729 31.933 -1.204 19600 2631 1 9 . 1 1 6 6 ARG H H 6 8.185 8.185 8.559 -0.374 19600 2632 1 9 . 1 1 7 7 ARG N N 7 122.520 122.520 119.581 2.939 19600 2633 1 9 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.522 -0.512 19600 2634 1 9 . 1 1 7 7 ARG CA C 7 56.473 56.473 55.780 0.693 19600 2635 1 9 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.795 -0.894 19600 2636 1 9 . 1 1 7 7 ARG H H 7 8.237 8.237 8.039 0.198 19600 2637 1 9 . 1 1 8 8 GLU N N 8 121.543 121.543 122.456 -0.913 19600 2638 1 9 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.245 -0.226 19600 2639 1 9 . 1 1 8 8 GLU CA C 8 56.546 56.546 56.860 -0.314 19600 2640 1 9 . 1 1 8 8 GLU CB C 8 30.559 30.559 29.989 0.570 19600 2641 1 9 . 1 1 8 8 GLU H H 8 7.971 7.971 8.412 -0.441 19600 2642 1 9 . 1 1 9 9 ARG N N 9 122.730 122.730 119.099 3.631 19600 2643 1 9 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.190 -0.039 19600 2644 1 9 . 1 1 9 9 ARG CA C 9 56.395 56.395 57.367 -0.972 19600 2645 1 9 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.870 0.083 19600 2646 1 9 . 1 1 9 9 ARG H H 9 8.290 8.290 8.002 0.288 19600 2647 1 9 . 1 1 10 10 THR N N 10 116.410 116.410 106.111 10.299 19600 2648 1 9 . 1 1 10 10 THR HA H 10 4.073 4.073 4.392 -0.319 19600 2649 1 9 . 1 1 10 10 THR CA C 10 62.073 62.073 61.118 0.955 19600 2650 1 9 . 1 1 10 10 THR CB C 10 70.102 70.102 70.218 -0.116 19600 2651 1 9 . 1 1 10 10 THR H H 10 8.132 8.132 7.372 0.760 19600 2652 1 9 . 1 1 11 11 THR N N 11 117.607 117.607 115.646 1.961 19600 2653 1 9 . 1 1 11 11 THR HA H 11 4.101 4.101 4.127 -0.026 19600 2654 1 9 . 1 1 11 11 THR CA C 11 61.581 61.581 65.622 -4.041 19600 2655 1 9 . 1 1 11 11 THR CB C 11 70.193 70.193 69.140 1.053 19600 2656 1 9 . 1 1 11 11 THR H H 11 7.868 7.868 8.434 -0.566 19600 2657 1 9 . 1 1 12 12 TYR N N 12 122.200 122.200 114.410 7.790 19600 2658 1 9 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.771 -0.173 19600 2659 1 9 . 1 1 12 12 TYR CA C 12 57.101 57.101 56.099 1.002 19600 2660 1 9 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.713 0.804 19600 2661 1 9 . 1 1 12 12 TYR H H 12 8.053 8.053 7.293 0.760 19600 2662 1 9 . 1 1 13 13 SER N N 13 119.084 119.084 117.152 1.932 19600 2663 1 9 . 1 1 13 13 SER HA H 13 4.340 4.340 4.761 -0.421 19600 2664 1 9 . 1 1 13 13 SER CA C 13 56.906 56.906 55.708 1.198 19600 2665 1 9 . 1 1 13 13 SER CB C 13 65.860 65.860 65.415 0.446 19600 2666 1 9 . 1 1 13 13 SER H H 13 8.976 8.976 8.022 0.954 19600 2667 1 9 . 1 1 14 14 ARG N N 14 121.463 121.463 121.442 0.021 19600 2668 1 9 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.283 -0.533 19600 2669 1 9 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.226 1.752 19600 2670 1 9 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.154 -0.709 19600 2671 1 9 . 1 1 14 14 ARG H H 14 8.824 8.824 8.829 -0.005 19600 2672 1 9 . 1 1 15 15 GLN N N 15 117.760 117.760 119.244 -1.484 19600 2673 1 9 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.836 -0.019 19600 2674 1 9 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.436 0.170 19600 2675 1 9 . 1 1 15 15 GLN CB C 15 28.230 28.230 28.058 0.172 19600 2676 1 9 . 1 1 15 15 GLN H H 15 8.341 8.341 7.588 0.753 19600 2677 1 9 . 1 1 16 16 GLN N N 16 117.933 117.933 117.515 0.418 19600 2678 1 9 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.004 -0.502 19600 2679 1 9 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.265 1.268 19600 2680 1 9 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.889 0.541 19600 2681 1 9 . 1 1 16 16 GLN H H 16 7.487 7.487 8.515 -1.028 19600 2682 1 9 . 1 1 17 17 LEU N N 17 117.025 117.025 115.249 1.776 19600 2683 1 9 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.360 -0.988 19600 2684 1 9 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.962 1.799 19600 2685 1 9 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.791 -0.299 19600 2686 1 9 . 1 1 17 17 LEU H H 17 8.070 8.070 7.353 0.717 19600 2687 1 9 . 1 1 18 18 GLU N N 18 118.469 118.469 121.314 -2.845 19600 2688 1 9 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.146 -0.416 19600 2689 1 9 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.530 0.237 19600 2690 1 9 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.601 -0.050 19600 2691 1 9 . 1 1 18 18 GLU H H 18 7.857 7.857 7.929 -0.072 19600 2692 1 9 . 1 1 19 19 ILE N N 19 121.154 121.154 118.818 2.336 19600 2693 1 9 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.748 -0.328 19600 2694 1 9 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.825 -1.288 19600 2695 1 9 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.578 0.113 19600 2696 1 9 . 1 1 19 19 ILE H H 19 7.076 7.076 7.696 -0.620 19600 2697 1 9 . 1 1 20 20 LEU N N 20 122.911 122.911 117.633 5.278 19600 2698 1 9 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.559 -1.235 19600 2699 1 9 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.654 2.063 19600 2700 1 9 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.313 -1.751 19600 2701 1 9 . 1 1 20 20 LEU H H 20 7.600 7.600 7.368 0.232 19600 2702 1 9 . 1 1 21 21 GLU N N 21 118.448 118.448 119.878 -1.430 19600 2703 1 9 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.079 -0.067 19600 2704 1 9 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.453 -0.525 19600 2705 1 9 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.883 -0.742 19600 2706 1 9 . 1 1 21 21 GLU H H 21 8.354 8.354 8.085 0.269 19600 2707 1 9 . 1 1 22 22 THR N N 22 116.336 116.336 113.548 2.788 19600 2708 1 9 . 1 1 22 22 THR HA H 22 3.745 3.745 4.292 -0.547 19600 2709 1 9 . 1 1 22 22 THR CA C 22 67.433 67.433 65.806 1.627 19600 2710 1 9 . 1 1 22 22 THR CB C 22 68.490 68.490 69.594 -1.104 19600 2711 1 9 . 1 1 22 22 THR H H 22 7.703 7.703 8.483 -0.780 19600 2712 1 9 . 1 1 23 23 LEU N N 23 123.532 123.532 123.091 0.441 19600 2713 1 9 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.168 0.031 19600 2714 1 9 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.164 0.131 19600 2715 1 9 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.044 -1.207 19600 2716 1 9 . 1 1 23 23 LEU H H 23 7.501 7.501 7.670 -0.169 19600 2717 1 9 . 1 1 24 24 PHE N N 24 120.756 120.756 119.107 1.649 19600 2718 1 9 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.231 0.204 19600 2719 1 9 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.522 0.810 19600 2720 1 9 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.672 0.306 19600 2721 1 9 . 1 1 24 24 PHE H H 24 8.708 8.708 8.303 0.405 19600 2722 1 9 . 1 1 25 25 ASN N N 25 113.604 113.604 116.199 -2.595 19600 2723 1 9 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.159 -0.085 19600 2724 1 9 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.952 0.397 19600 2725 1 9 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.904 -0.104 19600 2726 1 9 . 1 1 25 25 ASN H H 25 7.827 7.827 7.744 0.083 19600 2727 1 9 . 1 1 26 26 GLU N N 26 120.985 120.985 119.970 1.015 19600 2728 1 9 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.126 -0.155 19600 2729 1 9 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.376 0.125 19600 2730 1 9 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.432 -0.344 19600 2731 1 9 . 1 1 26 26 GLU H H 26 7.532 7.532 7.911 -0.379 19600 2732 1 9 . 1 1 27 27 THR N N 27 115.986 115.986 107.101 8.885 19600 2733 1 9 . 1 1 27 27 THR HA H 27 4.085 4.085 4.303 -0.218 19600 2734 1 9 . 1 1 27 27 THR CA C 27 59.365 59.365 61.475 -2.110 19600 2735 1 9 . 1 1 27 27 THR CB C 27 69.151 69.151 69.742 -0.591 19600 2736 1 9 . 1 1 27 27 THR H H 27 8.719 8.719 7.909 0.810 19600 2737 1 9 . 1 1 28 28 GLN N N 28 122.144 122.144 120.024 2.120 19600 2738 1 9 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.520 -0.866 19600 2739 1 9 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.823 1.397 19600 2740 1 9 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.386 -1.326 19600 2741 1 9 . 1 1 28 28 GLN H H 28 7.963 7.963 8.047 -0.084 19600 2742 1 9 . 1 1 29 29 TYR N N 29 114.355 114.355 119.673 -5.318 19600 2743 1 9 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.952 -0.523 19600 2744 1 9 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.480 1.977 19600 2745 1 9 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.897 1.100 19600 2746 1 9 . 1 1 29 29 TYR H H 29 7.680 7.680 7.747 -0.067 19600 2747 1 9 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.286 -0.212 19600 2748 1 9 . 1 1 30 30 PRO CA C 30 62.403 62.403 62.979 -0.576 19600 2749 1 9 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.792 0.894 19600 2750 1 9 . 1 1 31 31 ASP N N 31 123.957 123.957 121.948 2.009 19600 2751 1 9 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.905 -0.714 19600 2752 1 9 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.546 0.267 19600 2753 1 9 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.261 -3.174 19600 2754 1 9 . 1 1 31 31 ASP H H 31 8.496 8.496 7.979 0.517 19600 2755 1 9 . 1 1 32 32 VAL N N 32 117.950 117.950 119.986 -2.036 19600 2756 1 9 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.710 -0.512 19600 2757 1 9 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.349 -0.099 19600 2758 1 9 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.609 -0.116 19600 2759 1 9 . 1 1 32 32 VAL H H 32 8.162 8.162 8.427 -0.265 19600 2760 1 9 . 1 1 33 33 PHE N N 33 120.199 120.199 119.233 0.966 19600 2761 1 9 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.157 -0.121 19600 2762 1 9 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.590 -1.076 19600 2763 1 9 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.254 -0.321 19600 2764 1 9 . 1 1 33 33 PHE H H 33 6.841 6.841 8.513 -1.672 19600 2765 1 9 . 1 1 34 34 ALA N N 34 123.742 123.742 121.735 2.007 19600 2766 1 9 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.056 -0.174 19600 2767 1 9 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.452 0.690 19600 2768 1 9 . 1 1 34 34 ALA CB C 34 18.559 18.559 18.995 -0.437 19600 2769 1 9 . 1 1 34 34 ALA H H 34 8.139 8.139 8.038 0.101 19600 2770 1 9 . 1 1 35 35 ARG N N 35 116.197 116.197 118.331 -2.134 19600 2771 1 9 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.828 -0.274 19600 2772 1 9 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.188 1.559 19600 2773 1 9 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.630 1.540 19600 2774 1 9 . 1 1 35 35 ARG H H 35 8.281 8.281 7.936 0.345 19600 2775 1 9 . 1 1 36 36 GLU N N 36 119.133 119.133 118.141 0.992 19600 2776 1 9 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.002 -0.305 19600 2777 1 9 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.697 1.013 19600 2778 1 9 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.493 -0.043 19600 2779 1 9 . 1 1 36 36 GLU H H 36 8.382 8.382 8.455 -0.073 19600 2780 1 9 . 1 1 37 37 ARG N N 37 119.597 119.597 119.033 0.564 19600 2781 1 9 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.187 -0.275 19600 2782 1 9 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.894 0.799 19600 2783 1 9 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.713 -0.710 19600 2784 1 9 . 1 1 37 37 ARG H H 37 7.707 7.707 7.579 0.128 19600 2785 1 9 . 1 1 38 38 VAL N N 38 119.099 119.099 118.077 1.022 19600 2786 1 9 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.731 0.044 19600 2787 1 9 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.478 0.341 19600 2788 1 9 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.432 1.211 19600 2789 1 9 . 1 1 38 38 VAL H H 38 7.630 7.630 8.091 -0.461 19600 2790 1 9 . 1 1 39 39 ALA N N 39 124.624 124.624 122.916 1.708 19600 2791 1 9 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.957 -0.266 19600 2792 1 9 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.100 1.314 19600 2793 1 9 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.306 -0.056 19600 2794 1 9 . 1 1 39 39 ALA H H 39 8.196 8.196 7.903 0.293 19600 2795 1 9 . 1 1 40 40 ASP N N 40 115.786 115.786 115.968 -0.182 19600 2796 1 9 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.656 -0.459 19600 2797 1 9 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.770 1.045 19600 2798 1 9 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.140 0.167 19600 2799 1 9 . 1 1 40 40 ASP H H 40 7.510 7.510 8.130 -0.620 19600 2800 1 9 . 1 1 41 41 GLN N N 41 118.952 118.952 118.562 0.390 19600 2801 1 9 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.271 -0.436 19600 2802 1 9 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.931 1.388 19600 2803 1 9 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.768 -0.203 19600 2804 1 9 . 1 1 41 41 GLN H H 41 7.643 7.643 7.888 -0.245 19600 2805 1 9 . 1 1 42 42 ILE N N 42 108.381 108.381 110.887 -2.506 19600 2806 1 9 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.390 0.002 19600 2807 1 9 . 1 1 42 42 ILE CA C 42 60.792 60.792 60.893 -0.101 19600 2808 1 9 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.548 -0.106 19600 2809 1 9 . 1 1 42 42 ILE H H 42 8.076 8.076 7.633 0.443 19600 2810 1 9 . 1 1 43 43 ARG N N 43 119.055 119.055 118.674 0.381 19600 2811 1 9 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.049 -0.311 19600 2812 1 9 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.499 0.324 19600 2813 1 9 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.691 -1.625 19600 2814 1 9 . 1 1 43 43 ARG H H 43 7.588 7.588 7.514 0.074 19600 2815 1 9 . 1 1 44 44 LEU N N 44 119.135 119.135 118.509 0.626 19600 2816 1 9 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.653 -0.085 19600 2817 1 9 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.120 -0.124 19600 2818 1 9 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.682 1.918 19600 2819 1 9 . 1 1 44 44 LEU H H 44 7.648 7.648 8.393 -0.745 19600 2820 1 9 . 1 1 45 45 GLN N N 45 118.784 118.784 120.412 -1.628 19600 2821 1 9 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.270 -0.205 19600 2822 1 9 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.487 -0.160 19600 2823 1 9 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.529 0.273 19600 2824 1 9 . 1 1 45 45 GLN H H 45 8.107 8.107 8.444 -0.337 19600 2825 1 9 . 1 1 46 46 GLU N N 46 125.074 125.074 122.962 2.112 19600 2826 1 9 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.065 -0.522 19600 2827 1 9 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.258 1.905 19600 2828 1 9 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.384 -0.747 19600 2829 1 9 . 1 1 46 46 GLU H H 46 9.097 9.097 8.820 0.277 19600 2830 1 9 . 1 1 47 47 SER N N 47 113.706 113.706 113.694 0.012 19600 2831 1 9 . 1 1 47 47 SER HA H 47 3.828 3.828 4.345 -0.517 19600 2832 1 9 . 1 1 47 47 SER CA C 47 61.464 61.464 59.656 1.808 19600 2833 1 9 . 1 1 47 47 SER CB C 47 61.867 61.867 62.817 -0.950 19600 2834 1 9 . 1 1 47 47 SER H H 47 8.533 8.533 8.361 0.172 19600 2835 1 9 . 1 1 48 48 ARG N N 48 121.795 121.795 121.068 0.727 19600 2836 1 9 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.311 -0.263 19600 2837 1 9 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.846 0.310 19600 2838 1 9 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.844 -0.369 19600 2839 1 9 . 1 1 48 48 ARG H H 48 7.153 7.153 7.874 -0.721 19600 2840 1 9 . 1 1 49 49 ILE N N 49 121.647 121.647 121.552 0.095 19600 2841 1 9 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.947 -0.312 19600 2842 1 9 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.560 -0.047 19600 2843 1 9 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.788 -0.965 19600 2844 1 9 . 1 1 49 49 ILE H H 49 7.613 7.613 8.429 -0.816 19600 2845 1 9 . 1 1 50 50 GLN N N 50 118.579 118.579 118.523 0.056 19600 2846 1 9 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.115 0.018 19600 2847 1 9 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.107 1.366 19600 2848 1 9 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.542 0.490 19600 2849 1 9 . 1 1 50 50 GLN H H 50 8.051 8.051 8.303 -0.252 19600 2850 1 9 . 1 1 51 51 VAL N N 51 120.580 120.580 115.455 5.125 19600 2851 1 9 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.869 -0.426 19600 2852 1 9 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.164 1.923 19600 2853 1 9 . 1 1 51 51 VAL CB C 51 32.278 32.278 30.959 1.319 19600 2854 1 9 . 1 1 51 51 VAL H H 51 7.372 7.372 7.927 -0.555 19600 2855 1 9 . 1 1 52 52 TRP N N 52 121.485 121.485 120.735 0.750 19600 2856 1 9 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.587 -0.813 19600 2857 1 9 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.414 4.088 19600 2858 1 9 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.548 -1.160 19600 2859 1 9 . 1 1 52 52 TRP H H 52 8.135 8.135 7.242 0.893 19600 2860 1 9 . 1 1 53 53 PHE N N 53 118.122 118.122 121.099 -2.977 19600 2861 1 9 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.198 -0.777 19600 2862 1 9 . 1 1 53 53 PHE CA C 53 63.987 63.987 59.936 4.051 19600 2863 1 9 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.016 0.337 19600 2864 1 9 . 1 1 53 53 PHE H H 53 8.764 8.764 8.506 0.258 19600 2865 1 9 . 1 1 54 54 LYS N N 54 120.838 120.838 118.431 2.407 19600 2866 1 9 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.812 -0.097 19600 2867 1 9 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.222 3.454 19600 2868 1 9 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.402 -0.211 19600 2869 1 9 . 1 1 54 54 LYS H H 54 7.947 7.947 7.557 0.390 19600 2870 1 9 . 1 1 55 55 ASN N N 55 118.986 118.986 120.019 -1.033 19600 2871 1 9 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.389 -0.268 19600 2872 1 9 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.774 -1.079 19600 2873 1 9 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.391 -0.651 19600 2874 1 9 . 1 1 55 55 ASN H H 55 7.953 7.953 8.417 -0.464 19600 2875 1 9 . 1 1 56 56 ARG N N 56 124.991 124.991 119.302 5.689 19600 2876 1 9 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.161 -0.879 19600 2877 1 9 . 1 1 56 56 ARG CA C 56 56.848 56.848 58.043 -1.195 19600 2878 1 9 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.283 -2.611 19600 2879 1 9 . 1 1 56 56 ARG H H 56 8.263 8.263 8.263 -0.000 19600 2880 1 9 . 1 1 57 57 ARG N N 57 120.173 120.173 119.338 0.835 19600 2881 1 9 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.481 0.308 19600 2882 1 9 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.032 3.147 19600 2883 1 9 . 1 1 57 57 ARG CB C 57 31.525 31.525 28.902 2.623 19600 2884 1 9 . 1 1 57 57 ARG H H 57 8.343 8.343 7.678 0.665 19600 2885 1 9 . 1 1 58 58 ALA N N 58 121.602 121.602 119.724 1.878 19600 2886 1 9 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.538 -0.627 19600 2887 1 9 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.911 1.429 19600 2888 1 9 . 1 1 58 58 ALA CB C 58 17.776 17.776 18.935 -1.159 19600 2889 1 9 . 1 1 58 58 ALA H H 58 7.179 7.179 8.014 -0.835 19600 2890 1 9 . 1 1 59 59 LYS N N 59 119.515 119.515 120.671 -1.156 19600 2891 1 9 . 1 1 59 59 LYS HA H 59 3.730 3.730 4.017 -0.287 19600 2892 1 9 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.218 1.107 19600 2893 1 9 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.813 0.760 19600 2894 1 9 . 1 1 59 59 LYS H H 59 7.463 7.463 7.677 -0.214 19600 2895 1 9 . 1 1 60 60 TYR N N 60 120.152 120.152 118.551 1.601 19600 2896 1 9 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.507 -0.347 19600 2897 1 9 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.266 1.748 19600 2898 1 9 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.446 1.364 19600 2899 1 9 . 1 1 60 60 TYR H H 60 7.874 7.874 7.830 0.044 19600 2900 1 9 . 1 1 61 61 ARG N N 61 118.122 118.122 117.751 0.371 19600 2901 1 9 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.508 0.323 19600 2902 1 9 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.846 1.353 19600 2903 1 9 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.603 0.707 19600 2904 1 9 . 1 1 61 61 ARG H H 61 7.943 7.943 7.680 0.263 19600 2905 1 9 . 1 1 62 62 LEU N N 62 119.191 119.191 121.313 -2.122 19600 2906 1 9 . 1 1 62 62 LEU HA H 62 3.930 3.930 3.987 -0.057 19600 2907 1 9 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.467 -0.346 19600 2908 1 9 . 1 1 62 62 LEU CB C 62 42.109 42.109 42.064 0.045 19600 2909 1 9 . 1 1 62 62 LEU H H 62 7.407 7.407 7.852 -0.445 19600 2910 1 9 . 1 1 63 63 GLN N N 63 118.201 118.201 116.671 1.530 19600 2911 1 9 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.005 -0.132 19600 2912 1 9 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.207 -0.869 19600 2913 1 9 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.217 0.654 19600 2914 1 9 . 1 1 63 63 GLN H H 63 7.676 7.676 7.828 -0.152 19600 2915 1 9 . 1 1 64 64 GLU N N 64 120.152 120.152 122.756 -2.604 19600 2916 1 9 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.990 -0.190 19600 2917 1 9 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.219 -1.716 19600 2918 1 9 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.474 0.713 19600 2919 1 9 . 1 1 64 64 GLU H H 64 7.808 7.808 7.631 0.177 19600 2920 1 9 . 1 1 65 65 LYS N N 65 120.364 120.364 115.934 4.430 19600 2921 1 9 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.070 -0.084 19600 2922 1 9 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.187 -1.316 19600 2923 1 9 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.829 0.643 19600 2924 1 9 . 1 1 65 65 LYS H H 65 7.695 7.695 7.575 0.120 19600 2925 1 9 . 1 1 66 66 GLN N N 66 120.265 120.265 118.975 1.290 19600 2926 1 9 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.169 -0.141 19600 2927 1 9 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.389 -1.593 19600 2928 1 9 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.220 0.079 19600 2929 1 9 . 1 1 66 66 GLN H H 66 7.906 7.906 7.592 0.314 19600 2930 1 9 . 1 1 67 67 LYS N N 67 124.357 124.357 119.575 4.782 19600 2931 1 9 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.225 0.091 19600 2932 1 9 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.762 -1.166 19600 2933 1 9 . 1 1 67 67 LYS CB C 67 32.457 32.457 31.777 0.680 19600 2934 1 9 . 1 1 67 67 LYS H H 67 7.963 7.963 8.152 -0.189 19600 2935 1 10 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.377 -0.143 19600 2936 1 10 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.876 0.340 19600 2937 1 10 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.518 2.048 19600 2938 1 10 . 1 1 3 3 ARG N N 3 122.101 122.101 121.441 0.660 19600 2939 1 10 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.194 -0.143 19600 2940 1 10 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.078 0.430 19600 2941 1 10 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.184 -1.442 19600 2942 1 10 . 1 1 3 3 ARG H H 3 8.377 8.377 8.193 0.184 19600 2943 1 10 . 1 1 4 4 LYS N N 4 123.421 123.421 125.273 -1.852 19600 2944 1 10 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.081 -0.061 19600 2945 1 10 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.614 -1.032 19600 2946 1 10 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.275 0.927 19600 2947 1 10 . 1 1 4 4 LYS H H 4 8.278 8.278 8.126 0.152 19600 2948 1 10 . 1 1 5 5 ASN N N 5 120.133 120.133 115.638 4.495 19600 2949 1 10 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.856 -0.436 19600 2950 1 10 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.836 -0.464 19600 2951 1 10 . 1 1 5 5 ASN CB C 5 38.896 38.896 40.221 -1.325 19600 2952 1 10 . 1 1 5 5 ASN H H 5 8.318 8.318 8.503 -0.185 19600 2953 1 10 . 1 1 6 6 ARG N N 6 121.990 121.990 117.441 4.549 19600 2954 1 10 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.362 -0.323 19600 2955 1 10 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.480 0.059 19600 2956 1 10 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.619 0.110 19600 2957 1 10 . 1 1 6 6 ARG H H 6 8.185 8.185 8.278 -0.093 19600 2958 1 10 . 1 1 7 7 ARG N N 7 122.520 122.520 121.267 1.253 19600 2959 1 10 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.389 -0.379 19600 2960 1 10 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.627 -0.154 19600 2961 1 10 . 1 1 7 7 ARG CB C 7 30.901 30.901 30.703 0.197 19600 2962 1 10 . 1 1 7 7 ARG H H 7 8.237 8.237 8.291 -0.054 19600 2963 1 10 . 1 1 8 8 GLU N N 8 121.543 121.543 115.384 6.159 19600 2964 1 10 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.738 -0.719 19600 2965 1 10 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.359 1.187 19600 2966 1 10 . 1 1 8 8 GLU CB C 8 30.559 30.559 31.357 -0.798 19600 2967 1 10 . 1 1 8 8 GLU H H 8 7.971 7.971 8.255 -0.284 19600 2968 1 10 . 1 1 9 9 ARG N N 9 122.730 122.730 119.959 2.771 19600 2969 1 10 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.116 0.035 19600 2970 1 10 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.629 -2.234 19600 2971 1 10 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.298 0.655 19600 2972 1 10 . 1 1 9 9 ARG H H 9 8.290 8.290 8.815 -0.525 19600 2973 1 10 . 1 1 10 10 THR N N 10 116.410 116.410 107.168 9.242 19600 2974 1 10 . 1 1 10 10 THR HA H 10 4.073 4.073 4.365 -0.292 19600 2975 1 10 . 1 1 10 10 THR CA C 10 62.073 62.073 61.069 1.004 19600 2976 1 10 . 1 1 10 10 THR CB C 10 70.102 70.102 69.552 0.550 19600 2977 1 10 . 1 1 10 10 THR H H 10 8.132 8.132 7.393 0.739 19600 2978 1 10 . 1 1 11 11 THR N N 11 117.607 117.607 115.621 1.986 19600 2979 1 10 . 1 1 11 11 THR HA H 11 4.101 4.101 3.993 0.108 19600 2980 1 10 . 1 1 11 11 THR CA C 11 61.581 61.581 65.156 -3.575 19600 2981 1 10 . 1 1 11 11 THR CB C 11 70.193 70.193 69.145 1.048 19600 2982 1 10 . 1 1 11 11 THR H H 11 7.868 7.868 8.210 -0.342 19600 2983 1 10 . 1 1 12 12 TYR N N 12 122.200 122.200 119.239 2.961 19600 2984 1 10 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.618 -0.020 19600 2985 1 10 . 1 1 12 12 TYR CA C 12 57.101 57.101 57.750 -0.649 19600 2986 1 10 . 1 1 12 12 TYR CB C 12 40.517 40.517 40.346 0.171 19600 2987 1 10 . 1 1 12 12 TYR H H 12 8.053 8.053 7.873 0.180 19600 2988 1 10 . 1 1 13 13 SER N N 13 119.084 119.084 117.591 1.493 19600 2989 1 10 . 1 1 13 13 SER HA H 13 4.340 4.340 5.005 -0.665 19600 2990 1 10 . 1 1 13 13 SER CA C 13 56.906 56.906 56.261 0.645 19600 2991 1 10 . 1 1 13 13 SER CB C 13 65.860 65.860 65.046 0.814 19600 2992 1 10 . 1 1 13 13 SER H H 13 8.976 8.976 8.463 0.513 19600 2993 1 10 . 1 1 14 14 ARG N N 14 121.463 121.463 122.505 -1.042 19600 2994 1 10 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.384 -0.634 19600 2995 1 10 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.501 1.477 19600 2996 1 10 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.325 -0.880 19600 2997 1 10 . 1 1 14 14 ARG H H 14 8.824 8.824 8.838 -0.014 19600 2998 1 10 . 1 1 15 15 GLN N N 15 117.760 117.760 119.291 -1.531 19600 2999 1 10 . 1 1 15 15 GLN HA H 15 3.817 3.817 4.233 -0.416 19600 3000 1 10 . 1 1 15 15 GLN CA C 15 59.606 59.606 60.419 -0.813 19600 3001 1 10 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.689 0.541 19600 3002 1 10 . 1 1 15 15 GLN H H 15 8.341 8.341 8.630 -0.289 19600 3003 1 10 . 1 1 16 16 GLN N N 16 117.933 117.933 116.897 1.036 19600 3004 1 10 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.222 -0.720 19600 3005 1 10 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.817 0.716 19600 3006 1 10 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.373 0.057 19600 3007 1 10 . 1 1 16 16 GLN H H 16 7.487 7.487 8.436 -0.949 19600 3008 1 10 . 1 1 17 17 LEU N N 17 117.025 117.025 116.439 0.586 19600 3009 1 10 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.258 -0.886 19600 3010 1 10 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.927 1.834 19600 3011 1 10 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.000 -0.508 19600 3012 1 10 . 1 1 17 17 LEU H H 17 8.070 8.070 7.817 0.253 19600 3013 1 10 . 1 1 18 18 GLU N N 18 118.469 118.469 121.459 -2.990 19600 3014 1 10 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.134 -0.404 19600 3015 1 10 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.592 0.175 19600 3016 1 10 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.753 -0.202 19600 3017 1 10 . 1 1 18 18 GLU H H 18 7.857 7.857 7.970 -0.113 19600 3018 1 10 . 1 1 19 19 ILE N N 19 121.154 121.154 118.871 2.283 19600 3019 1 10 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.767 -0.347 19600 3020 1 10 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.876 -1.339 19600 3021 1 10 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.608 0.083 19600 3022 1 10 . 1 1 19 19 ILE H H 19 7.076 7.076 7.747 -0.671 19600 3023 1 10 . 1 1 20 20 LEU N N 20 122.911 122.911 117.246 5.665 19600 3024 1 10 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.567 -1.243 19600 3025 1 10 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.781 1.937 19600 3026 1 10 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.133 -1.571 19600 3027 1 10 . 1 1 20 20 LEU H H 20 7.600 7.600 7.292 0.308 19600 3028 1 10 . 1 1 21 21 GLU N N 21 118.448 118.448 120.317 -1.869 19600 3029 1 10 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.141 -0.129 19600 3030 1 10 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.475 -0.547 19600 3031 1 10 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.635 -0.494 19600 3032 1 10 . 1 1 21 21 GLU H H 21 8.354 8.354 8.057 0.297 19600 3033 1 10 . 1 1 22 22 THR N N 22 116.336 116.336 113.343 2.993 19600 3034 1 10 . 1 1 22 22 THR HA H 22 3.745 3.745 4.325 -0.580 19600 3035 1 10 . 1 1 22 22 THR CA C 22 67.433 67.433 65.869 1.564 19600 3036 1 10 . 1 1 22 22 THR CB C 22 68.490 68.490 69.215 -0.725 19600 3037 1 10 . 1 1 22 22 THR H H 22 7.703 7.703 8.474 -0.771 19600 3038 1 10 . 1 1 23 23 LEU N N 23 123.532 123.532 122.942 0.590 19600 3039 1 10 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.169 0.030 19600 3040 1 10 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.174 0.121 19600 3041 1 10 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.022 -1.185 19600 3042 1 10 . 1 1 23 23 LEU H H 23 7.501 7.501 7.657 -0.156 19600 3043 1 10 . 1 1 24 24 PHE N N 24 120.756 120.756 118.936 1.820 19600 3044 1 10 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.259 0.176 19600 3045 1 10 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.759 0.573 19600 3046 1 10 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.822 0.156 19600 3047 1 10 . 1 1 24 24 PHE H H 24 8.708 8.708 8.131 0.577 19600 3048 1 10 . 1 1 25 25 ASN N N 25 113.604 113.604 116.078 -2.474 19600 3049 1 10 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.198 -0.124 19600 3050 1 10 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.959 0.390 19600 3051 1 10 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.266 -0.466 19600 3052 1 10 . 1 1 25 25 ASN H H 25 7.827 7.827 7.815 0.012 19600 3053 1 10 . 1 1 26 26 GLU N N 26 120.985 120.985 119.962 1.023 19600 3054 1 10 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.132 -0.161 19600 3055 1 10 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.280 0.221 19600 3056 1 10 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.356 -0.268 19600 3057 1 10 . 1 1 26 26 GLU H H 26 7.532 7.532 7.926 -0.394 19600 3058 1 10 . 1 1 27 27 THR N N 27 115.986 115.986 108.237 7.749 19600 3059 1 10 . 1 1 27 27 THR HA H 27 4.085 4.085 4.277 -0.192 19600 3060 1 10 . 1 1 27 27 THR CA C 27 59.365 59.365 61.278 -1.913 19600 3061 1 10 . 1 1 27 27 THR CB C 27 69.151 69.151 69.779 -0.628 19600 3062 1 10 . 1 1 27 27 THR H H 27 8.719 8.719 7.969 0.750 19600 3063 1 10 . 1 1 28 28 GLN N N 28 122.144 122.144 119.438 2.706 19600 3064 1 10 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.569 -0.915 19600 3065 1 10 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.864 1.356 19600 3066 1 10 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.068 -1.008 19600 3067 1 10 . 1 1 28 28 GLN H H 28 7.963 7.963 8.024 -0.061 19600 3068 1 10 . 1 1 29 29 TYR N N 29 114.355 114.355 120.299 -5.944 19600 3069 1 10 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.863 -0.434 19600 3070 1 10 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.008 2.449 19600 3071 1 10 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.780 1.217 19600 3072 1 10 . 1 1 29 29 TYR H H 29 7.680 7.680 7.646 0.034 19600 3073 1 10 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.283 -0.209 19600 3074 1 10 . 1 1 30 30 PRO CA C 30 62.403 62.403 62.880 -0.477 19600 3075 1 10 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.471 1.216 19600 3076 1 10 . 1 1 31 31 ASP N N 31 123.957 123.957 123.360 0.597 19600 3077 1 10 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.765 -0.574 19600 3078 1 10 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.716 0.097 19600 3079 1 10 . 1 1 31 31 ASP CB C 31 41.087 41.087 42.082 -0.995 19600 3080 1 10 . 1 1 31 31 ASP H H 31 8.496 8.496 8.013 0.483 19600 3081 1 10 . 1 1 32 32 VAL N N 32 117.950 117.950 117.866 0.084 19600 3082 1 10 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.760 -0.562 19600 3083 1 10 . 1 1 32 32 VAL CA C 32 66.250 66.250 65.029 1.220 19600 3084 1 10 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.693 -0.200 19600 3085 1 10 . 1 1 32 32 VAL H H 32 8.162 8.162 8.290 -0.128 19600 3086 1 10 . 1 1 33 33 PHE N N 33 120.199 120.199 118.312 1.887 19600 3087 1 10 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.175 -0.139 19600 3088 1 10 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.353 -0.839 19600 3089 1 10 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.781 -0.848 19600 3090 1 10 . 1 1 33 33 PHE H H 33 6.841 6.841 8.291 -1.450 19600 3091 1 10 . 1 1 34 34 ALA N N 34 123.742 123.742 121.005 2.737 19600 3092 1 10 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.080 -0.198 19600 3093 1 10 . 1 1 34 34 ALA CA C 34 55.142 55.142 53.990 1.152 19600 3094 1 10 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.377 -0.818 19600 3095 1 10 . 1 1 34 34 ALA H H 34 8.139 8.139 7.995 0.144 19600 3096 1 10 . 1 1 35 35 ARG N N 35 116.197 116.197 118.466 -2.269 19600 3097 1 10 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.839 -0.285 19600 3098 1 10 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.253 1.494 19600 3099 1 10 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.579 1.591 19600 3100 1 10 . 1 1 35 35 ARG H H 35 8.281 8.281 8.130 0.151 19600 3101 1 10 . 1 1 36 36 GLU N N 36 119.133 119.133 118.325 0.808 19600 3102 1 10 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.977 -0.280 19600 3103 1 10 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.739 0.971 19600 3104 1 10 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.450 0.000 19600 3105 1 10 . 1 1 36 36 GLU H H 36 8.382 8.382 8.429 -0.047 19600 3106 1 10 . 1 1 37 37 ARG N N 37 119.597 119.597 119.383 0.214 19600 3107 1 10 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.076 -0.164 19600 3108 1 10 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.955 0.738 19600 3109 1 10 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.530 -0.527 19600 3110 1 10 . 1 1 37 37 ARG H H 37 7.707 7.707 7.534 0.173 19600 3111 1 10 . 1 1 38 38 VAL N N 38 119.099 119.099 118.002 1.097 19600 3112 1 10 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.749 0.026 19600 3113 1 10 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.481 0.339 19600 3114 1 10 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.485 1.158 19600 3115 1 10 . 1 1 38 38 VAL H H 38 7.630 7.630 8.118 -0.488 19600 3116 1 10 . 1 1 39 39 ALA N N 39 124.624 124.624 123.032 1.592 19600 3117 1 10 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.953 -0.262 19600 3118 1 10 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.094 1.320 19600 3119 1 10 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.294 -0.044 19600 3120 1 10 . 1 1 39 39 ALA H H 39 8.196 8.196 8.012 0.184 19600 3121 1 10 . 1 1 40 40 ASP N N 40 115.786 115.786 116.273 -0.487 19600 3122 1 10 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.569 -0.372 19600 3123 1 10 . 1 1 40 40 ASP CA C 40 56.815 56.815 56.024 0.791 19600 3124 1 10 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.084 0.223 19600 3125 1 10 . 1 1 40 40 ASP H H 40 7.510 7.510 8.139 -0.629 19600 3126 1 10 . 1 1 41 41 GLN N N 41 118.952 118.952 118.581 0.371 19600 3127 1 10 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.200 -0.365 19600 3128 1 10 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.720 1.599 19600 3129 1 10 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.230 0.335 19600 3130 1 10 . 1 1 41 41 GLN H H 41 7.643 7.643 7.814 -0.171 19600 3131 1 10 . 1 1 42 42 ILE N N 42 108.381 108.381 111.739 -3.358 19600 3132 1 10 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.315 0.077 19600 3133 1 10 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.260 -0.468 19600 3134 1 10 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.957 -0.515 19600 3135 1 10 . 1 1 42 42 ILE H H 42 8.076 8.076 7.619 0.457 19600 3136 1 10 . 1 1 43 43 ARG N N 43 119.055 119.055 119.585 -0.530 19600 3137 1 10 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.093 -0.355 19600 3138 1 10 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.449 0.374 19600 3139 1 10 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.915 -1.849 19600 3140 1 10 . 1 1 43 43 ARG H H 43 7.588 7.588 7.619 -0.031 19600 3141 1 10 . 1 1 44 44 LEU N N 44 119.135 119.135 119.320 -0.185 19600 3142 1 10 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.638 -0.070 19600 3143 1 10 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.349 -0.353 19600 3144 1 10 . 1 1 44 44 LEU CB C 44 47.600 47.600 44.804 2.796 19600 3145 1 10 . 1 1 44 44 LEU H H 44 7.648 7.648 8.309 -0.661 19600 3146 1 10 . 1 1 45 45 GLN N N 45 118.784 118.784 120.313 -1.529 19600 3147 1 10 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.251 -0.186 19600 3148 1 10 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.054 0.273 19600 3149 1 10 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.176 0.626 19600 3150 1 10 . 1 1 45 45 GLN H H 45 8.107 8.107 8.312 -0.205 19600 3151 1 10 . 1 1 46 46 GLU N N 46 125.074 125.074 124.548 0.526 19600 3152 1 10 . 1 1 46 46 GLU HA H 46 3.543 3.543 3.979 -0.436 19600 3153 1 10 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.408 1.755 19600 3154 1 10 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.412 -0.776 19600 3155 1 10 . 1 1 46 46 GLU H H 46 9.097 9.097 8.887 0.210 19600 3156 1 10 . 1 1 47 47 SER N N 47 113.706 113.706 114.375 -0.669 19600 3157 1 10 . 1 1 47 47 SER HA H 47 3.828 3.828 4.298 -0.470 19600 3158 1 10 . 1 1 47 47 SER CA C 47 61.464 61.464 59.929 1.535 19600 3159 1 10 . 1 1 47 47 SER CB C 47 61.867 61.867 63.148 -1.282 19600 3160 1 10 . 1 1 47 47 SER H H 47 8.533 8.533 8.165 0.368 19600 3161 1 10 . 1 1 48 48 ARG N N 48 121.795 121.795 120.890 0.905 19600 3162 1 10 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.188 -0.140 19600 3163 1 10 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.198 -0.042 19600 3164 1 10 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.939 -0.464 19600 3165 1 10 . 1 1 48 48 ARG H H 48 7.153 7.153 7.809 -0.656 19600 3166 1 10 . 1 1 49 49 ILE N N 49 121.647 121.647 121.090 0.557 19600 3167 1 10 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.695 -0.060 19600 3168 1 10 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.207 0.306 19600 3169 1 10 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.821 -0.998 19600 3170 1 10 . 1 1 49 49 ILE H H 49 7.613 7.613 8.297 -0.684 19600 3171 1 10 . 1 1 50 50 GLN N N 50 118.579 118.579 118.630 -0.051 19600 3172 1 10 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.111 0.022 19600 3173 1 10 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.125 1.348 19600 3174 1 10 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.563 0.469 19600 3175 1 10 . 1 1 50 50 GLN H H 50 8.051 8.051 8.107 -0.056 19600 3176 1 10 . 1 1 51 51 VAL N N 51 120.580 120.580 113.845 6.735 19600 3177 1 10 . 1 1 51 51 VAL HA H 51 3.443 3.443 4.066 -0.623 19600 3178 1 10 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.221 1.866 19600 3179 1 10 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.721 0.557 19600 3180 1 10 . 1 1 51 51 VAL H H 51 7.372 7.372 7.758 -0.386 19600 3181 1 10 . 1 1 52 52 TRP N N 52 121.485 121.485 120.814 0.671 19600 3182 1 10 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.550 -0.776 19600 3183 1 10 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.624 4.878 19600 3184 1 10 . 1 1 52 52 TRP CB C 52 28.388 28.388 30.454 -2.066 19600 3185 1 10 . 1 1 52 52 TRP H H 52 8.135 8.135 7.410 0.725 19600 3186 1 10 . 1 1 53 53 PHE N N 53 118.122 118.122 120.984 -2.862 19600 3187 1 10 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.175 -0.754 19600 3188 1 10 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.266 3.721 19600 3189 1 10 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.786 0.566 19600 3190 1 10 . 1 1 53 53 PHE H H 53 8.764 8.764 8.516 0.248 19600 3191 1 10 . 1 1 54 54 LYS N N 54 120.838 120.838 118.426 2.412 19600 3192 1 10 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.784 -0.069 19600 3193 1 10 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.330 3.347 19600 3194 1 10 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.374 -0.183 19600 3195 1 10 . 1 1 54 54 LYS H H 54 7.947 7.947 7.572 0.375 19600 3196 1 10 . 1 1 55 55 ASN N N 55 118.986 118.986 119.693 -0.707 19600 3197 1 10 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.092 0.029 19600 3198 1 10 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.668 -0.973 19600 3199 1 10 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.102 -0.362 19600 3200 1 10 . 1 1 55 55 ASN H H 55 7.953 7.953 8.239 -0.286 19600 3201 1 10 . 1 1 56 56 ARG N N 56 124.991 124.991 119.034 5.957 19600 3202 1 10 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.037 -0.755 19600 3203 1 10 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.718 -0.870 19600 3204 1 10 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.221 -2.549 19600 3205 1 10 . 1 1 56 56 ARG H H 56 8.263 8.263 8.107 0.156 19600 3206 1 10 . 1 1 57 57 ARG N N 57 120.173 120.173 119.793 0.380 19600 3207 1 10 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.395 0.394 19600 3208 1 10 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.235 2.944 19600 3209 1 10 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.172 2.353 19600 3210 1 10 . 1 1 57 57 ARG H H 57 8.343 8.343 7.485 0.858 19600 3211 1 10 . 1 1 58 58 ALA N N 58 121.602 121.602 119.490 2.112 19600 3212 1 10 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.422 -0.511 19600 3213 1 10 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.656 1.685 19600 3214 1 10 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.087 -1.311 19600 3215 1 10 . 1 1 58 58 ALA H H 58 7.179 7.179 8.014 -0.835 19600 3216 1 10 . 1 1 59 59 LYS N N 59 119.515 119.515 120.753 -1.238 19600 3217 1 10 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.968 -0.238 19600 3218 1 10 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.189 1.136 19600 3219 1 10 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.669 0.904 19600 3220 1 10 . 1 1 59 59 LYS H H 59 7.463 7.463 7.629 -0.166 19600 3221 1 10 . 1 1 60 60 TYR N N 60 120.152 120.152 118.819 1.333 19600 3222 1 10 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.066 0.094 19600 3223 1 10 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.109 0.905 19600 3224 1 10 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.459 1.351 19600 3225 1 10 . 1 1 60 60 TYR H H 60 7.874 7.874 7.875 -0.000 19600 3226 1 10 . 1 1 61 61 ARG N N 61 118.122 118.122 117.798 0.324 19600 3227 1 10 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.497 0.334 19600 3228 1 10 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.711 1.488 19600 3229 1 10 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.271 1.039 19600 3230 1 10 . 1 1 61 61 ARG H H 61 7.943 7.943 7.541 0.402 19600 3231 1 10 . 1 1 62 62 LEU N N 62 119.191 119.191 121.065 -1.874 19600 3232 1 10 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.038 -0.108 19600 3233 1 10 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.324 -0.203 19600 3234 1 10 . 1 1 62 62 LEU CB C 62 42.109 42.109 42.176 -0.067 19600 3235 1 10 . 1 1 62 62 LEU H H 62 7.407 7.407 7.693 -0.286 19600 3236 1 10 . 1 1 63 63 GLN N N 63 118.201 118.201 117.301 0.900 19600 3237 1 10 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.975 -0.102 19600 3238 1 10 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.276 -0.938 19600 3239 1 10 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.999 0.872 19600 3240 1 10 . 1 1 63 63 GLN H H 63 7.676 7.676 8.277 -0.601 19600 3241 1 10 . 1 1 64 64 GLU N N 64 120.152 120.152 119.125 1.027 19600 3242 1 10 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.016 -0.216 19600 3243 1 10 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.496 -0.994 19600 3244 1 10 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.740 0.447 19600 3245 1 10 . 1 1 64 64 GLU H H 64 7.808 7.808 7.900 -0.092 19600 3246 1 10 . 1 1 65 65 LYS N N 65 120.364 120.364 114.786 5.578 19600 3247 1 10 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.379 -0.393 19600 3248 1 10 . 1 1 65 65 LYS CA C 65 56.871 56.871 56.808 0.063 19600 3249 1 10 . 1 1 65 65 LYS CB C 65 32.473 32.473 33.287 -0.814 19600 3250 1 10 . 1 1 65 65 LYS H H 65 7.695 7.695 7.502 0.193 19600 3251 1 10 . 1 1 66 66 GLN N N 66 120.265 120.265 120.378 -0.113 19600 3252 1 10 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.208 -0.180 19600 3253 1 10 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.007 -1.211 19600 3254 1 10 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.233 0.066 19600 3255 1 10 . 1 1 66 66 GLN H H 66 7.906 7.906 7.746 0.160 19600 3256 1 10 . 1 1 67 67 LYS N N 67 124.357 124.357 119.428 4.929 19600 3257 1 10 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.237 0.079 19600 3258 1 10 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.535 -0.939 19600 3259 1 10 . 1 1 67 67 LYS CB C 67 32.457 32.457 31.940 0.517 19600 3260 1 10 . 1 1 67 67 LYS H H 67 7.963 7.963 7.601 0.362 19600 3261 1 11 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.635 -0.401 19600 3262 1 11 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.760 0.457 19600 3263 1 11 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.368 2.198 19600 3264 1 11 . 1 1 3 3 ARG N N 3 122.101 122.101 117.546 4.555 19600 3265 1 11 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.599 -0.548 19600 3266 1 11 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.107 0.401 19600 3267 1 11 . 1 1 3 3 ARG CB C 3 30.742 30.742 31.395 -0.653 19600 3268 1 11 . 1 1 3 3 ARG H H 3 8.377 8.377 8.140 0.237 19600 3269 1 11 . 1 1 4 4 LYS N N 4 123.421 123.421 121.468 1.953 19600 3270 1 11 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.325 -0.305 19600 3271 1 11 . 1 1 4 4 LYS CA C 4 56.582 56.582 56.535 0.047 19600 3272 1 11 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.681 0.521 19600 3273 1 11 . 1 1 4 4 LYS H H 4 8.278 8.278 8.464 -0.186 19600 3274 1 11 . 1 1 5 5 ASN N N 5 120.133 120.133 115.270 4.863 19600 3275 1 11 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.748 -0.328 19600 3276 1 11 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.218 0.154 19600 3277 1 11 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.704 -0.808 19600 3278 1 11 . 1 1 5 5 ASN H H 5 8.318 8.318 7.537 0.781 19600 3279 1 11 . 1 1 6 6 ARG N N 6 121.990 121.990 119.486 2.504 19600 3280 1 11 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.702 -0.663 19600 3281 1 11 . 1 1 6 6 ARG CA C 6 56.539 56.539 55.060 1.479 19600 3282 1 11 . 1 1 6 6 ARG CB C 6 30.729 30.729 32.050 -1.321 19600 3283 1 11 . 1 1 6 6 ARG H H 6 8.185 8.185 8.008 0.177 19600 3284 1 11 . 1 1 7 7 ARG N N 7 122.520 122.520 121.053 1.467 19600 3285 1 11 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.536 -0.526 19600 3286 1 11 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.293 0.180 19600 3287 1 11 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.115 -0.214 19600 3288 1 11 . 1 1 7 7 ARG H H 7 8.237 8.237 8.615 -0.378 19600 3289 1 11 . 1 1 8 8 GLU N N 8 121.543 121.543 124.224 -2.681 19600 3290 1 11 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.264 -0.245 19600 3291 1 11 . 1 1 8 8 GLU CA C 8 56.546 56.546 56.298 0.248 19600 3292 1 11 . 1 1 8 8 GLU CB C 8 30.559 30.559 29.500 1.059 19600 3293 1 11 . 1 1 8 8 GLU H H 8 7.971 7.971 8.830 -0.859 19600 3294 1 11 . 1 1 9 9 ARG N N 9 122.730 122.730 119.393 3.337 19600 3295 1 11 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.133 0.018 19600 3296 1 11 . 1 1 9 9 ARG CA C 9 56.395 56.395 57.799 -1.404 19600 3297 1 11 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.752 0.201 19600 3298 1 11 . 1 1 9 9 ARG H H 9 8.290 8.290 8.165 0.125 19600 3299 1 11 . 1 1 10 10 THR N N 10 116.410 116.410 107.266 9.144 19600 3300 1 11 . 1 1 10 10 THR HA H 10 4.073 4.073 4.311 -0.238 19600 3301 1 11 . 1 1 10 10 THR CA C 10 62.073 62.073 60.835 1.238 19600 3302 1 11 . 1 1 10 10 THR CB C 10 70.102 70.102 69.200 0.902 19600 3303 1 11 . 1 1 10 10 THR H H 10 8.132 8.132 7.583 0.549 19600 3304 1 11 . 1 1 11 11 THR N N 11 117.607 117.607 116.558 1.049 19600 3305 1 11 . 1 1 11 11 THR HA H 11 4.101 4.101 4.135 -0.034 19600 3306 1 11 . 1 1 11 11 THR CA C 11 61.581 61.581 64.289 -2.708 19600 3307 1 11 . 1 1 11 11 THR CB C 11 70.193 70.193 68.790 1.403 19600 3308 1 11 . 1 1 11 11 THR H H 11 7.868 7.868 8.393 -0.525 19600 3309 1 11 . 1 1 12 12 TYR N N 12 122.200 122.200 113.821 8.379 19600 3310 1 11 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.916 -0.318 19600 3311 1 11 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.942 1.159 19600 3312 1 11 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.065 1.452 19600 3313 1 11 . 1 1 12 12 TYR H H 12 8.053 8.053 7.229 0.824 19600 3314 1 11 . 1 1 13 13 SER N N 13 119.084 119.084 117.412 1.672 19600 3315 1 11 . 1 1 13 13 SER HA H 13 4.340 4.340 4.963 -0.623 19600 3316 1 11 . 1 1 13 13 SER CA C 13 56.906 56.906 56.022 0.884 19600 3317 1 11 . 1 1 13 13 SER CB C 13 65.860 65.860 65.117 0.743 19600 3318 1 11 . 1 1 13 13 SER H H 13 8.976 8.976 8.356 0.620 19600 3319 1 11 . 1 1 14 14 ARG N N 14 121.463 121.463 121.101 0.362 19600 3320 1 11 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.378 -0.628 19600 3321 1 11 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.634 1.344 19600 3322 1 11 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.309 -0.865 19600 3323 1 11 . 1 1 14 14 ARG H H 14 8.824 8.824 8.802 0.022 19600 3324 1 11 . 1 1 15 15 GLN N N 15 117.760 117.760 118.759 -0.999 19600 3325 1 11 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.923 -0.106 19600 3326 1 11 . 1 1 15 15 GLN CA C 15 59.606 59.606 60.340 -0.734 19600 3327 1 11 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.751 0.479 19600 3328 1 11 . 1 1 15 15 GLN H H 15 8.341 8.341 8.661 -0.320 19600 3329 1 11 . 1 1 16 16 GLN N N 16 117.933 117.933 116.515 1.418 19600 3330 1 11 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.056 -0.554 19600 3331 1 11 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.797 0.737 19600 3332 1 11 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.351 0.079 19600 3333 1 11 . 1 1 16 16 GLN H H 16 7.487 7.487 8.497 -1.010 19600 3334 1 11 . 1 1 17 17 LEU N N 17 117.025 117.025 116.444 0.581 19600 3335 1 11 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.620 -1.248 19600 3336 1 11 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.584 2.177 19600 3337 1 11 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.124 -0.632 19600 3338 1 11 . 1 1 17 17 LEU H H 17 8.070 8.070 7.641 0.429 19600 3339 1 11 . 1 1 18 18 GLU N N 18 118.469 118.469 121.272 -2.803 19600 3340 1 11 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.166 -0.436 19600 3341 1 11 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.437 0.330 19600 3342 1 11 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.548 0.003 19600 3343 1 11 . 1 1 18 18 GLU H H 18 7.857 7.857 8.028 -0.171 19600 3344 1 11 . 1 1 19 19 ILE N N 19 121.154 121.154 118.446 2.708 19600 3345 1 11 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.733 -0.313 19600 3346 1 11 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.809 -1.272 19600 3347 1 11 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.597 0.094 19600 3348 1 11 . 1 1 19 19 ILE H H 19 7.076 7.076 7.600 -0.524 19600 3349 1 11 . 1 1 20 20 LEU N N 20 122.911 122.911 117.038 5.873 19600 3350 1 11 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.530 -1.206 19600 3351 1 11 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.651 2.066 19600 3352 1 11 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.207 -1.645 19600 3353 1 11 . 1 1 20 20 LEU H H 20 7.600 7.600 7.411 0.189 19600 3354 1 11 . 1 1 21 21 GLU N N 21 118.448 118.448 119.312 -0.864 19600 3355 1 11 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.137 -0.125 19600 3356 1 11 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.394 -0.466 19600 3357 1 11 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.585 -0.444 19600 3358 1 11 . 1 1 21 21 GLU H H 21 8.354 8.354 8.240 0.114 19600 3359 1 11 . 1 1 22 22 THR N N 22 116.336 116.336 113.665 2.671 19600 3360 1 11 . 1 1 22 22 THR HA H 22 3.745 3.745 4.340 -0.595 19600 3361 1 11 . 1 1 22 22 THR CA C 22 67.433 67.433 65.078 2.355 19600 3362 1 11 . 1 1 22 22 THR CB C 22 68.490 68.490 69.585 -1.095 19600 3363 1 11 . 1 1 22 22 THR H H 22 7.703 7.703 8.343 -0.640 19600 3364 1 11 . 1 1 23 23 LEU N N 23 123.532 123.532 123.061 0.471 19600 3365 1 11 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.169 0.030 19600 3366 1 11 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.184 0.111 19600 3367 1 11 . 1 1 23 23 LEU CB C 23 40.837 40.837 41.995 -1.158 19600 3368 1 11 . 1 1 23 23 LEU H H 23 7.501 7.501 7.693 -0.192 19600 3369 1 11 . 1 1 24 24 PHE N N 24 120.756 120.756 118.796 1.960 19600 3370 1 11 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.241 0.194 19600 3371 1 11 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.853 0.478 19600 3372 1 11 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.960 0.018 19600 3373 1 11 . 1 1 24 24 PHE H H 24 8.708 8.708 8.168 0.540 19600 3374 1 11 . 1 1 25 25 ASN N N 25 113.604 113.604 116.215 -2.611 19600 3375 1 11 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.320 -0.246 19600 3376 1 11 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.956 0.393 19600 3377 1 11 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.333 -0.533 19600 3378 1 11 . 1 1 25 25 ASN H H 25 7.827 7.827 7.872 -0.045 19600 3379 1 11 . 1 1 26 26 GLU N N 26 120.985 120.985 119.824 1.161 19600 3380 1 11 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.145 -0.174 19600 3381 1 11 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.414 0.087 19600 3382 1 11 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.257 -0.169 19600 3383 1 11 . 1 1 26 26 GLU H H 26 7.532 7.532 8.091 -0.559 19600 3384 1 11 . 1 1 27 27 THR N N 27 115.986 115.986 107.663 8.323 19600 3385 1 11 . 1 1 27 27 THR HA H 27 4.085 4.085 4.337 -0.252 19600 3386 1 11 . 1 1 27 27 THR CA C 27 59.365 59.365 61.217 -1.852 19600 3387 1 11 . 1 1 27 27 THR CB C 27 69.151 69.151 69.656 -0.505 19600 3388 1 11 . 1 1 27 27 THR H H 27 8.719 8.719 7.980 0.739 19600 3389 1 11 . 1 1 28 28 GLN N N 28 122.144 122.144 119.669 2.475 19600 3390 1 11 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.443 -0.789 19600 3391 1 11 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.306 1.914 19600 3392 1 11 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.752 -1.692 19600 3393 1 11 . 1 1 28 28 GLN H H 28 7.963 7.963 8.091 -0.128 19600 3394 1 11 . 1 1 29 29 TYR N N 29 114.355 114.355 120.127 -5.772 19600 3395 1 11 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.898 -0.469 19600 3396 1 11 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.741 1.716 19600 3397 1 11 . 1 1 29 29 TYR CB C 29 38.997 38.997 38.132 0.865 19600 3398 1 11 . 1 1 29 29 TYR H H 29 7.680 7.680 7.728 -0.048 19600 3399 1 11 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.316 -0.242 19600 3400 1 11 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.033 -0.631 19600 3401 1 11 . 1 1 30 30 PRO CB C 30 31.686 31.686 31.003 0.683 19600 3402 1 11 . 1 1 31 31 ASP N N 31 123.957 123.957 123.041 0.916 19600 3403 1 11 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.846 -0.655 19600 3404 1 11 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.875 -0.062 19600 3405 1 11 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.839 -3.752 19600 3406 1 11 . 1 1 31 31 ASP H H 31 8.496 8.496 7.963 0.533 19600 3407 1 11 . 1 1 32 32 VAL N N 32 117.950 117.950 119.293 -1.343 19600 3408 1 11 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.713 -0.515 19600 3409 1 11 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.269 -0.020 19600 3410 1 11 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.365 0.128 19600 3411 1 11 . 1 1 32 32 VAL H H 32 8.162 8.162 8.474 -0.312 19600 3412 1 11 . 1 1 33 33 PHE N N 33 120.199 120.199 120.161 0.038 19600 3413 1 11 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.221 -0.185 19600 3414 1 11 . 1 1 33 33 PHE CA C 33 60.514 60.514 60.670 -0.156 19600 3415 1 11 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.376 -0.443 19600 3416 1 11 . 1 1 33 33 PHE H H 33 6.841 6.841 8.549 -1.708 19600 3417 1 11 . 1 1 34 34 ALA N N 34 123.742 123.742 123.098 0.644 19600 3418 1 11 . 1 1 34 34 ALA HA H 34 3.882 3.882 3.996 -0.114 19600 3419 1 11 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.584 0.558 19600 3420 1 11 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.458 -0.899 19600 3421 1 11 . 1 1 34 34 ALA H H 34 8.139 8.139 8.284 -0.145 19600 3422 1 11 . 1 1 35 35 ARG N N 35 116.197 116.197 118.995 -2.798 19600 3423 1 11 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.870 -0.316 19600 3424 1 11 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.308 1.439 19600 3425 1 11 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.615 1.555 19600 3426 1 11 . 1 1 35 35 ARG H H 35 8.281 8.281 7.921 0.360 19600 3427 1 11 . 1 1 36 36 GLU N N 36 119.133 119.133 118.105 1.028 19600 3428 1 11 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.004 -0.307 19600 3429 1 11 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.598 1.112 19600 3430 1 11 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.482 -0.032 19600 3431 1 11 . 1 1 36 36 GLU H H 36 8.382 8.382 8.290 0.092 19600 3432 1 11 . 1 1 37 37 ARG N N 37 119.597 119.597 118.911 0.686 19600 3433 1 11 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.177 -0.265 19600 3434 1 11 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.726 0.967 19600 3435 1 11 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.870 -0.867 19600 3436 1 11 . 1 1 37 37 ARG H H 37 7.707 7.707 7.577 0.130 19600 3437 1 11 . 1 1 38 38 VAL N N 38 119.099 119.099 117.873 1.226 19600 3438 1 11 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.690 0.085 19600 3439 1 11 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.702 0.117 19600 3440 1 11 . 1 1 38 38 VAL CB C 38 31.643 31.643 31.152 0.491 19600 3441 1 11 . 1 1 38 38 VAL H H 38 7.630 7.630 8.169 -0.539 19600 3442 1 11 . 1 1 39 39 ALA N N 39 124.624 124.624 122.270 2.354 19600 3443 1 11 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.926 -0.235 19600 3444 1 11 . 1 1 39 39 ALA CA C 39 56.414 56.414 54.892 1.522 19600 3445 1 11 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.229 0.021 19600 3446 1 11 . 1 1 39 39 ALA H H 39 8.196 8.196 7.919 0.277 19600 3447 1 11 . 1 1 40 40 ASP N N 40 115.786 115.786 116.177 -0.391 19600 3448 1 11 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.648 -0.451 19600 3449 1 11 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.463 1.352 19600 3450 1 11 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.128 0.179 19600 3451 1 11 . 1 1 40 40 ASP H H 40 7.510 7.510 8.150 -0.640 19600 3452 1 11 . 1 1 41 41 GLN N N 41 118.952 118.952 117.907 1.045 19600 3453 1 11 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.277 -0.442 19600 3454 1 11 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.856 1.462 19600 3455 1 11 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.826 -0.261 19600 3456 1 11 . 1 1 41 41 GLN H H 41 7.643 7.643 7.864 -0.221 19600 3457 1 11 . 1 1 42 42 ILE N N 42 108.381 108.381 112.007 -3.626 19600 3458 1 11 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.262 0.130 19600 3459 1 11 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.062 -0.271 19600 3460 1 11 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.992 -0.550 19600 3461 1 11 . 1 1 42 42 ILE H H 42 8.076 8.076 7.665 0.411 19600 3462 1 11 . 1 1 43 43 ARG N N 43 119.055 119.055 118.615 0.440 19600 3463 1 11 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.024 -0.286 19600 3464 1 11 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.449 0.374 19600 3465 1 11 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.390 -1.324 19600 3466 1 11 . 1 1 43 43 ARG H H 43 7.588 7.588 7.610 -0.022 19600 3467 1 11 . 1 1 44 44 LEU N N 44 119.135 119.135 119.336 -0.201 19600 3468 1 11 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.663 -0.095 19600 3469 1 11 . 1 1 44 44 LEU CA C 44 52.996 52.996 52.911 0.085 19600 3470 1 11 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.472 2.128 19600 3471 1 11 . 1 1 44 44 LEU H H 44 7.648 7.648 8.309 -0.661 19600 3472 1 11 . 1 1 45 45 GLN N N 45 118.784 118.784 120.079 -1.295 19600 3473 1 11 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.235 -0.170 19600 3474 1 11 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.602 -0.275 19600 3475 1 11 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.522 0.280 19600 3476 1 11 . 1 1 45 45 GLN H H 45 8.107 8.107 8.354 -0.247 19600 3477 1 11 . 1 1 46 46 GLU N N 46 125.074 125.074 124.311 0.763 19600 3478 1 11 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.005 -0.462 19600 3479 1 11 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.264 1.899 19600 3480 1 11 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.445 -0.809 19600 3481 1 11 . 1 1 46 46 GLU H H 46 9.097 9.097 8.947 0.150 19600 3482 1 11 . 1 1 47 47 SER N N 47 113.706 113.706 114.677 -0.971 19600 3483 1 11 . 1 1 47 47 SER HA H 47 3.828 3.828 4.315 -0.487 19600 3484 1 11 . 1 1 47 47 SER CA C 47 61.464 61.464 59.920 1.544 19600 3485 1 11 . 1 1 47 47 SER CB C 47 61.867 61.867 63.067 -1.200 19600 3486 1 11 . 1 1 47 47 SER H H 47 8.533 8.533 8.204 0.329 19600 3487 1 11 . 1 1 48 48 ARG N N 48 121.795 121.795 121.104 0.691 19600 3488 1 11 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.279 -0.231 19600 3489 1 11 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.337 -0.181 19600 3490 1 11 . 1 1 48 48 ARG CB C 48 29.475 29.475 30.120 -0.645 19600 3491 1 11 . 1 1 48 48 ARG H H 48 7.153 7.153 7.838 -0.685 19600 3492 1 11 . 1 1 49 49 ILE N N 49 121.647 121.647 121.162 0.485 19600 3493 1 11 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.748 -0.113 19600 3494 1 11 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.385 0.128 19600 3495 1 11 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.824 -1.000 19600 3496 1 11 . 1 1 49 49 ILE H H 49 7.613 7.613 8.175 -0.562 19600 3497 1 11 . 1 1 50 50 GLN N N 50 118.579 118.579 118.445 0.134 19600 3498 1 11 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.109 0.024 19600 3499 1 11 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.066 1.407 19600 3500 1 11 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.495 0.537 19600 3501 1 11 . 1 1 50 50 GLN H H 50 8.051 8.051 8.243 -0.192 19600 3502 1 11 . 1 1 51 51 VAL N N 51 120.580 120.580 114.157 6.423 19600 3503 1 11 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.995 -0.552 19600 3504 1 11 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.522 1.565 19600 3505 1 11 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.541 0.737 19600 3506 1 11 . 1 1 51 51 VAL H H 51 7.372 7.372 7.967 -0.595 19600 3507 1 11 . 1 1 52 52 TRP N N 52 121.485 121.485 121.952 -0.467 19600 3508 1 11 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.561 -0.787 19600 3509 1 11 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.957 3.545 19600 3510 1 11 . 1 1 52 52 TRP CB C 52 28.388 28.388 30.430 -2.042 19600 3511 1 11 . 1 1 52 52 TRP H H 52 8.135 8.135 7.895 0.240 19600 3512 1 11 . 1 1 53 53 PHE N N 53 118.122 118.122 121.095 -2.973 19600 3513 1 11 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.197 -0.776 19600 3514 1 11 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.304 3.683 19600 3515 1 11 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.759 0.593 19600 3516 1 11 . 1 1 53 53 PHE H H 53 8.764 8.764 8.528 0.236 19600 3517 1 11 . 1 1 54 54 LYS N N 54 120.838 120.838 118.421 2.417 19600 3518 1 11 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.836 -0.121 19600 3519 1 11 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.038 3.639 19600 3520 1 11 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.377 -0.186 19600 3521 1 11 . 1 1 54 54 LYS H H 54 7.947 7.947 7.538 0.409 19600 3522 1 11 . 1 1 55 55 ASN N N 55 118.986 118.986 119.176 -0.190 19600 3523 1 11 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.217 -0.096 19600 3524 1 11 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.854 -1.159 19600 3525 1 11 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.382 -0.642 19600 3526 1 11 . 1 1 55 55 ASN H H 55 7.953 7.953 8.302 -0.349 19600 3527 1 11 . 1 1 56 56 ARG N N 56 124.991 124.991 119.579 5.412 19600 3528 1 11 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.113 -0.831 19600 3529 1 11 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.859 -1.011 19600 3530 1 11 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.292 -2.620 19600 3531 1 11 . 1 1 56 56 ARG H H 56 8.263 8.263 8.188 0.075 19600 3532 1 11 . 1 1 57 57 ARG N N 57 120.173 120.173 119.094 1.079 19600 3533 1 11 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.422 0.367 19600 3534 1 11 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.537 2.642 19600 3535 1 11 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.294 2.231 19600 3536 1 11 . 1 1 57 57 ARG H H 57 8.343 8.343 7.584 0.759 19600 3537 1 11 . 1 1 58 58 ALA N N 58 121.602 121.602 120.054 1.548 19600 3538 1 11 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.463 -0.552 19600 3539 1 11 . 1 1 58 58 ALA CA C 58 55.341 55.341 54.145 1.196 19600 3540 1 11 . 1 1 58 58 ALA CB C 58 17.776 17.776 18.687 -0.911 19600 3541 1 11 . 1 1 58 58 ALA H H 58 7.179 7.179 8.076 -0.897 19600 3542 1 11 . 1 1 59 59 LYS N N 59 119.515 119.515 120.779 -1.264 19600 3543 1 11 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.971 -0.241 19600 3544 1 11 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.215 1.109 19600 3545 1 11 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.667 0.906 19600 3546 1 11 . 1 1 59 59 LYS H H 59 7.463 7.463 7.634 -0.171 19600 3547 1 11 . 1 1 60 60 TYR N N 60 120.152 120.152 118.857 1.295 19600 3548 1 11 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.037 0.123 19600 3549 1 11 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.171 0.843 19600 3550 1 11 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.401 1.409 19600 3551 1 11 . 1 1 60 60 TYR H H 60 7.874 7.874 7.892 -0.018 19600 3552 1 11 . 1 1 61 61 ARG N N 61 118.122 118.122 117.381 0.741 19600 3553 1 11 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.587 0.244 19600 3554 1 11 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.247 0.952 19600 3555 1 11 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.780 0.530 19600 3556 1 11 . 1 1 61 61 ARG H H 61 7.943 7.943 7.502 0.441 19600 3557 1 11 . 1 1 62 62 LEU N N 62 119.191 119.191 121.802 -2.611 19600 3558 1 11 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.114 -0.184 19600 3559 1 11 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.455 -0.334 19600 3560 1 11 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.429 0.680 19600 3561 1 11 . 1 1 62 62 LEU H H 62 7.407 7.407 7.506 -0.099 19600 3562 1 11 . 1 1 63 63 GLN N N 63 118.201 118.201 117.440 0.761 19600 3563 1 11 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.989 -0.116 19600 3564 1 11 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.581 -1.243 19600 3565 1 11 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.998 0.873 19600 3566 1 11 . 1 1 63 63 GLN H H 63 7.676 7.676 8.663 -0.987 19600 3567 1 11 . 1 1 64 64 GLU N N 64 120.152 120.152 121.268 -1.116 19600 3568 1 11 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.040 -0.240 19600 3569 1 11 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.898 -1.395 19600 3570 1 11 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.246 0.941 19600 3571 1 11 . 1 1 64 64 GLU H H 64 7.808 7.808 7.538 0.270 19600 3572 1 11 . 1 1 65 65 LYS N N 65 120.364 120.364 117.748 2.616 19600 3573 1 11 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.017 -0.031 19600 3574 1 11 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.428 -1.557 19600 3575 1 11 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.479 -0.006 19600 3576 1 11 . 1 1 65 65 LYS H H 65 7.695 7.695 7.483 0.212 19600 3577 1 11 . 1 1 66 66 GLN N N 66 120.265 120.265 118.268 1.997 19600 3578 1 11 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.165 -0.137 19600 3579 1 11 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.514 -1.718 19600 3580 1 11 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.159 0.140 19600 3581 1 11 . 1 1 66 66 GLN H H 66 7.906 7.906 7.575 0.331 19600 3582 1 11 . 1 1 67 67 LYS N N 67 124.357 124.357 119.456 4.901 19600 3583 1 11 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.327 -0.011 19600 3584 1 11 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.369 -0.773 19600 3585 1 11 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.627 -0.170 19600 3586 1 11 . 1 1 67 67 LYS H H 67 7.963 7.963 7.954 0.009 19600 3587 1 12 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.538 -0.304 19600 3588 1 12 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.977 0.239 19600 3589 1 12 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.694 1.872 19600 3590 1 12 . 1 1 3 3 ARG N N 3 122.101 122.101 122.139 -0.038 19600 3591 1 12 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.838 -0.787 19600 3592 1 12 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.599 -0.091 19600 3593 1 12 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.498 -1.756 19600 3594 1 12 . 1 1 3 3 ARG H H 3 8.377 8.377 8.429 -0.052 19600 3595 1 12 . 1 1 4 4 LYS N N 4 123.421 123.421 124.308 -0.887 19600 3596 1 12 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.275 -0.255 19600 3597 1 12 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.395 -0.813 19600 3598 1 12 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.877 0.325 19600 3599 1 12 . 1 1 4 4 LYS H H 4 8.278 8.278 8.562 -0.284 19600 3600 1 12 . 1 1 5 5 ASN N N 5 120.133 120.133 114.336 5.797 19600 3601 1 12 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.782 -0.362 19600 3602 1 12 . 1 1 5 5 ASN CA C 5 53.372 53.372 51.819 1.553 19600 3603 1 12 . 1 1 5 5 ASN CB C 5 38.896 38.896 40.002 -1.106 19600 3604 1 12 . 1 1 5 5 ASN H H 5 8.318 8.318 7.363 0.955 19600 3605 1 12 . 1 1 6 6 ARG N N 6 121.990 121.990 120.439 1.551 19600 3606 1 12 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.124 -0.085 19600 3607 1 12 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.965 -0.425 19600 3608 1 12 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.367 0.362 19600 3609 1 12 . 1 1 6 6 ARG H H 6 8.185 8.185 8.468 -0.283 19600 3610 1 12 . 1 1 7 7 ARG N N 7 122.520 122.520 122.126 0.394 19600 3611 1 12 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.320 -0.310 19600 3612 1 12 . 1 1 7 7 ARG CA C 7 56.473 56.473 57.759 -1.286 19600 3613 1 12 . 1 1 7 7 ARG CB C 7 30.901 30.901 30.020 0.881 19600 3614 1 12 . 1 1 7 7 ARG H H 7 8.237 8.237 8.698 -0.461 19600 3615 1 12 . 1 1 8 8 GLU N N 8 121.543 121.543 124.289 -2.746 19600 3616 1 12 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.383 -0.364 19600 3617 1 12 . 1 1 8 8 GLU CA C 8 56.546 56.546 57.010 -0.464 19600 3618 1 12 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.120 0.438 19600 3619 1 12 . 1 1 8 8 GLU H H 8 7.971 7.971 8.881 -0.910 19600 3620 1 12 . 1 1 9 9 ARG N N 9 122.730 122.730 120.021 2.709 19600 3621 1 12 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.177 -0.026 19600 3622 1 12 . 1 1 9 9 ARG CA C 9 56.395 56.395 57.883 -1.488 19600 3623 1 12 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.594 0.359 19600 3624 1 12 . 1 1 9 9 ARG H H 9 8.290 8.290 8.236 0.054 19600 3625 1 12 . 1 1 10 10 THR N N 10 116.410 116.410 106.883 9.527 19600 3626 1 12 . 1 1 10 10 THR HA H 10 4.073 4.073 4.319 -0.246 19600 3627 1 12 . 1 1 10 10 THR CA C 10 62.073 62.073 61.412 0.661 19600 3628 1 12 . 1 1 10 10 THR CB C 10 70.102 70.102 69.725 0.377 19600 3629 1 12 . 1 1 10 10 THR H H 10 8.132 8.132 7.467 0.665 19600 3630 1 12 . 1 1 11 11 THR N N 11 117.607 117.607 117.101 0.506 19600 3631 1 12 . 1 1 11 11 THR HA H 11 4.101 4.101 4.121 -0.020 19600 3632 1 12 . 1 1 11 11 THR CA C 11 61.581 61.581 64.229 -2.648 19600 3633 1 12 . 1 1 11 11 THR CB C 11 70.193 70.193 68.929 1.264 19600 3634 1 12 . 1 1 11 11 THR H H 11 7.868 7.868 8.368 -0.500 19600 3635 1 12 . 1 1 12 12 TYR N N 12 122.200 122.200 114.641 7.559 19600 3636 1 12 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.894 -0.296 19600 3637 1 12 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.940 1.161 19600 3638 1 12 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.389 1.128 19600 3639 1 12 . 1 1 12 12 TYR H H 12 8.053 8.053 7.135 0.918 19600 3640 1 12 . 1 1 13 13 SER N N 13 119.084 119.084 117.965 1.119 19600 3641 1 12 . 1 1 13 13 SER HA H 13 4.340 4.340 4.936 -0.596 19600 3642 1 12 . 1 1 13 13 SER CA C 13 56.906 56.906 55.901 1.005 19600 3643 1 12 . 1 1 13 13 SER CB C 13 65.860 65.860 64.625 1.235 19600 3644 1 12 . 1 1 13 13 SER H H 13 8.976 8.976 8.360 0.616 19600 3645 1 12 . 1 1 14 14 ARG N N 14 121.463 121.463 120.467 0.996 19600 3646 1 12 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.202 -0.452 19600 3647 1 12 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.032 1.946 19600 3648 1 12 . 1 1 14 14 ARG CB C 14 29.445 29.445 29.985 -0.540 19600 3649 1 12 . 1 1 14 14 ARG H H 14 8.824 8.824 8.729 0.095 19600 3650 1 12 . 1 1 15 15 GLN N N 15 117.760 117.760 119.350 -1.590 19600 3651 1 12 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.843 -0.026 19600 3652 1 12 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.117 0.489 19600 3653 1 12 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.881 0.348 19600 3654 1 12 . 1 1 15 15 GLN H H 15 8.341 8.341 7.545 0.796 19600 3655 1 12 . 1 1 16 16 GLN N N 16 117.933 117.933 117.312 0.621 19600 3656 1 12 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.034 -0.532 19600 3657 1 12 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.382 1.151 19600 3658 1 12 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.856 0.574 19600 3659 1 12 . 1 1 16 16 GLN H H 16 7.487 7.487 8.613 -1.126 19600 3660 1 12 . 1 1 17 17 LEU N N 17 117.025 117.025 115.898 1.127 19600 3661 1 12 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.367 -0.995 19600 3662 1 12 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.768 1.993 19600 3663 1 12 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.792 -0.300 19600 3664 1 12 . 1 1 17 17 LEU H H 17 8.070 8.070 7.316 0.754 19600 3665 1 12 . 1 1 18 18 GLU N N 18 118.469 118.469 121.280 -2.811 19600 3666 1 12 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.140 -0.410 19600 3667 1 12 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.584 0.183 19600 3668 1 12 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.588 -0.037 19600 3669 1 12 . 1 1 18 18 GLU H H 18 7.857 7.857 8.017 -0.160 19600 3670 1 12 . 1 1 19 19 ILE N N 19 121.154 121.154 118.737 2.417 19600 3671 1 12 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.746 -0.326 19600 3672 1 12 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.800 -1.263 19600 3673 1 12 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.556 0.135 19600 3674 1 12 . 1 1 19 19 ILE H H 19 7.076 7.076 7.631 -0.555 19600 3675 1 12 . 1 1 20 20 LEU N N 20 122.911 122.911 117.739 5.172 19600 3676 1 12 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.536 -1.212 19600 3677 1 12 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.683 2.034 19600 3678 1 12 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.227 -1.665 19600 3679 1 12 . 1 1 20 20 LEU H H 20 7.600 7.600 7.349 0.251 19600 3680 1 12 . 1 1 21 21 GLU N N 21 118.448 118.448 120.105 -1.657 19600 3681 1 12 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.102 -0.090 19600 3682 1 12 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.478 -0.550 19600 3683 1 12 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.865 -0.724 19600 3684 1 12 . 1 1 21 21 GLU H H 21 8.354 8.354 8.117 0.237 19600 3685 1 12 . 1 1 22 22 THR N N 22 116.336 116.336 113.337 2.999 19600 3686 1 12 . 1 1 22 22 THR HA H 22 3.745 3.745 4.267 -0.522 19600 3687 1 12 . 1 1 22 22 THR CA C 22 67.433 67.433 66.090 1.343 19600 3688 1 12 . 1 1 22 22 THR CB C 22 68.490 68.490 69.546 -1.056 19600 3689 1 12 . 1 1 22 22 THR H H 22 7.703 7.703 8.453 -0.750 19600 3690 1 12 . 1 1 23 23 LEU N N 23 123.532 123.532 123.342 0.190 19600 3691 1 12 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.173 0.026 19600 3692 1 12 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.181 0.114 19600 3693 1 12 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.110 -1.273 19600 3694 1 12 . 1 1 23 23 LEU H H 23 7.501 7.501 7.684 -0.183 19600 3695 1 12 . 1 1 24 24 PHE N N 24 120.756 120.756 118.663 2.093 19600 3696 1 12 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.260 0.175 19600 3697 1 12 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.856 0.476 19600 3698 1 12 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.975 0.003 19600 3699 1 12 . 1 1 24 24 PHE H H 24 8.708 8.708 8.056 0.652 19600 3700 1 12 . 1 1 25 25 ASN N N 25 113.604 113.604 116.061 -2.457 19600 3701 1 12 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.343 -0.269 19600 3702 1 12 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.020 0.329 19600 3703 1 12 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.975 -0.175 19600 3704 1 12 . 1 1 25 25 ASN H H 25 7.827 7.827 7.879 -0.052 19600 3705 1 12 . 1 1 26 26 GLU N N 26 120.985 120.985 120.101 0.884 19600 3706 1 12 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.134 -0.163 19600 3707 1 12 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.338 0.163 19600 3708 1 12 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.348 -0.260 19600 3709 1 12 . 1 1 26 26 GLU H H 26 7.532 7.532 7.982 -0.450 19600 3710 1 12 . 1 1 27 27 THR N N 27 115.986 115.986 107.540 8.446 19600 3711 1 12 . 1 1 27 27 THR HA H 27 4.085 4.085 4.237 -0.152 19600 3712 1 12 . 1 1 27 27 THR CA C 27 59.365 59.365 61.640 -2.275 19600 3713 1 12 . 1 1 27 27 THR CB C 27 69.151 69.151 69.891 -0.740 19600 3714 1 12 . 1 1 27 27 THR H H 27 8.719 8.719 7.903 0.816 19600 3715 1 12 . 1 1 28 28 GLN N N 28 122.144 122.144 120.085 2.059 19600 3716 1 12 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.448 -0.794 19600 3717 1 12 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.903 1.317 19600 3718 1 12 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.233 -1.173 19600 3719 1 12 . 1 1 28 28 GLN H H 28 7.963 7.963 8.044 -0.081 19600 3720 1 12 . 1 1 29 29 TYR N N 29 114.355 114.355 120.055 -5.700 19600 3721 1 12 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.901 -0.472 19600 3722 1 12 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.396 2.061 19600 3723 1 12 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.963 1.034 19600 3724 1 12 . 1 1 29 29 TYR H H 29 7.680 7.680 7.714 -0.034 19600 3725 1 12 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.314 -0.240 19600 3726 1 12 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.046 -0.643 19600 3727 1 12 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.755 0.931 19600 3728 1 12 . 1 1 31 31 ASP N N 31 123.957 123.957 123.783 0.174 19600 3729 1 12 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.816 -0.625 19600 3730 1 12 . 1 1 31 31 ASP CA C 31 52.813 52.813 53.153 -0.340 19600 3731 1 12 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.144 -3.057 19600 3732 1 12 . 1 1 31 31 ASP H H 31 8.496 8.496 7.948 0.548 19600 3733 1 12 . 1 1 32 32 VAL N N 32 117.950 117.950 119.543 -1.593 19600 3734 1 12 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.725 -0.527 19600 3735 1 12 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.453 -0.203 19600 3736 1 12 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.599 -0.106 19600 3737 1 12 . 1 1 32 32 VAL H H 32 8.162 8.162 8.394 -0.232 19600 3738 1 12 . 1 1 33 33 PHE N N 33 120.199 120.199 119.827 0.372 19600 3739 1 12 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.173 -0.137 19600 3740 1 12 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.211 -0.697 19600 3741 1 12 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.391 -0.458 19600 3742 1 12 . 1 1 33 33 PHE H H 33 6.841 6.841 8.508 -1.667 19600 3743 1 12 . 1 1 34 34 ALA N N 34 123.742 123.742 121.832 1.910 19600 3744 1 12 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.029 -0.147 19600 3745 1 12 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.397 0.745 19600 3746 1 12 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.066 -0.507 19600 3747 1 12 . 1 1 34 34 ALA H H 34 8.139 8.139 8.004 0.135 19600 3748 1 12 . 1 1 35 35 ARG N N 35 116.197 116.197 118.948 -2.751 19600 3749 1 12 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.879 -0.325 19600 3750 1 12 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.312 1.435 19600 3751 1 12 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.658 1.512 19600 3752 1 12 . 1 1 35 35 ARG H H 35 8.281 8.281 8.012 0.269 19600 3753 1 12 . 1 1 36 36 GLU N N 36 119.133 119.133 118.091 1.042 19600 3754 1 12 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.991 -0.294 19600 3755 1 12 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.791 0.919 19600 3756 1 12 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.491 -0.041 19600 3757 1 12 . 1 1 36 36 GLU H H 36 8.382 8.382 8.414 -0.032 19600 3758 1 12 . 1 1 37 37 ARG N N 37 119.597 119.597 118.749 0.848 19600 3759 1 12 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.135 -0.223 19600 3760 1 12 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.658 1.035 19600 3761 1 12 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.527 -0.524 19600 3762 1 12 . 1 1 37 37 ARG H H 37 7.707 7.707 7.545 0.162 19600 3763 1 12 . 1 1 38 38 VAL N N 38 119.099 119.099 117.535 1.564 19600 3764 1 12 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.691 0.084 19600 3765 1 12 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.340 0.479 19600 3766 1 12 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.629 1.014 19600 3767 1 12 . 1 1 38 38 VAL H H 38 7.630 7.630 8.090 -0.460 19600 3768 1 12 . 1 1 39 39 ALA N N 39 124.624 124.624 122.360 2.264 19600 3769 1 12 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.928 -0.237 19600 3770 1 12 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.047 1.367 19600 3771 1 12 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.146 0.104 19600 3772 1 12 . 1 1 39 39 ALA H H 39 8.196 8.196 7.903 0.293 19600 3773 1 12 . 1 1 40 40 ASP N N 40 115.786 115.786 116.304 -0.518 19600 3774 1 12 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.552 -0.355 19600 3775 1 12 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.921 0.894 19600 3776 1 12 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.049 0.258 19600 3777 1 12 . 1 1 40 40 ASP H H 40 7.510 7.510 8.118 -0.608 19600 3778 1 12 . 1 1 41 41 GLN N N 41 118.952 118.952 118.507 0.445 19600 3779 1 12 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.166 -0.331 19600 3780 1 12 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.782 1.537 19600 3781 1 12 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.320 0.245 19600 3782 1 12 . 1 1 41 41 GLN H H 41 7.643 7.643 7.828 -0.185 19600 3783 1 12 . 1 1 42 42 ILE N N 42 108.381 108.381 111.623 -3.242 19600 3784 1 12 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.471 -0.079 19600 3785 1 12 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.000 -0.208 19600 3786 1 12 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.963 -0.521 19600 3787 1 12 . 1 1 42 42 ILE H H 42 8.076 8.076 7.526 0.550 19600 3788 1 12 . 1 1 43 43 ARG N N 43 119.055 119.055 117.977 1.078 19600 3789 1 12 . 1 1 43 43 ARG HA H 43 3.738 3.738 3.991 -0.253 19600 3790 1 12 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.447 0.376 19600 3791 1 12 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.594 -1.528 19600 3792 1 12 . 1 1 43 43 ARG H H 43 7.588 7.588 7.447 0.141 19600 3793 1 12 . 1 1 44 44 LEU N N 44 119.135 119.135 119.068 0.067 19600 3794 1 12 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.672 -0.104 19600 3795 1 12 . 1 1 44 44 LEU CA C 44 52.996 52.996 52.852 0.144 19600 3796 1 12 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.503 2.097 19600 3797 1 12 . 1 1 44 44 LEU H H 44 7.648 7.648 8.236 -0.588 19600 3798 1 12 . 1 1 45 45 GLN N N 45 118.784 118.784 120.447 -1.663 19600 3799 1 12 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.258 -0.193 19600 3800 1 12 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.667 -0.340 19600 3801 1 12 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.615 0.187 19600 3802 1 12 . 1 1 45 45 GLN H H 45 8.107 8.107 8.404 -0.297 19600 3803 1 12 . 1 1 46 46 GLU N N 46 125.074 125.074 124.818 0.256 19600 3804 1 12 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.037 -0.494 19600 3805 1 12 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.354 1.809 19600 3806 1 12 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.402 -0.766 19600 3807 1 12 . 1 1 46 46 GLU H H 46 9.097 9.097 9.037 0.060 19600 3808 1 12 . 1 1 47 47 SER N N 47 113.706 113.706 114.715 -1.009 19600 3809 1 12 . 1 1 47 47 SER HA H 47 3.828 3.828 4.380 -0.552 19600 3810 1 12 . 1 1 47 47 SER CA C 47 61.464 61.464 60.280 1.184 19600 3811 1 12 . 1 1 47 47 SER CB C 47 61.867 61.867 63.136 -1.269 19600 3812 1 12 . 1 1 47 47 SER H H 47 8.533 8.533 8.210 0.323 19600 3813 1 12 . 1 1 48 48 ARG N N 48 121.795 121.795 121.926 -0.131 19600 3814 1 12 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.335 -0.287 19600 3815 1 12 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.939 0.217 19600 3816 1 12 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.672 -0.196 19600 3817 1 12 . 1 1 48 48 ARG H H 48 7.153 7.153 7.866 -0.713 19600 3818 1 12 . 1 1 49 49 ILE N N 49 121.647 121.647 121.359 0.288 19600 3819 1 12 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.836 -0.201 19600 3820 1 12 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.587 -0.074 19600 3821 1 12 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.916 -1.093 19600 3822 1 12 . 1 1 49 49 ILE H H 49 7.613 7.613 8.503 -0.890 19600 3823 1 12 . 1 1 50 50 GLN N N 50 118.579 118.579 118.655 -0.076 19600 3824 1 12 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.112 0.021 19600 3825 1 12 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.181 1.292 19600 3826 1 12 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.611 0.421 19600 3827 1 12 . 1 1 50 50 GLN H H 50 8.051 8.051 8.267 -0.216 19600 3828 1 12 . 1 1 51 51 VAL N N 51 120.580 120.580 114.779 5.801 19600 3829 1 12 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.941 -0.498 19600 3830 1 12 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.605 1.482 19600 3831 1 12 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.616 0.662 19600 3832 1 12 . 1 1 51 51 VAL H H 51 7.372 7.372 7.719 -0.347 19600 3833 1 12 . 1 1 52 52 TRP N N 52 121.485 121.485 120.291 1.194 19600 3834 1 12 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.581 -0.807 19600 3835 1 12 . 1 1 52 52 TRP CA C 52 63.502 63.502 60.019 3.483 19600 3836 1 12 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.625 -1.237 19600 3837 1 12 . 1 1 52 52 TRP H H 52 8.135 8.135 7.360 0.775 19600 3838 1 12 . 1 1 53 53 PHE N N 53 118.122 118.122 120.951 -2.829 19600 3839 1 12 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.197 -0.776 19600 3840 1 12 . 1 1 53 53 PHE CA C 53 63.987 63.987 59.984 4.003 19600 3841 1 12 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.012 0.340 19600 3842 1 12 . 1 1 53 53 PHE H H 53 8.764 8.764 8.418 0.346 19600 3843 1 12 . 1 1 54 54 LYS N N 54 120.838 120.838 118.607 2.231 19600 3844 1 12 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.848 -0.133 19600 3845 1 12 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.152 3.525 19600 3846 1 12 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.388 -0.197 19600 3847 1 12 . 1 1 54 54 LYS H H 54 7.947 7.947 7.584 0.363 19600 3848 1 12 . 1 1 55 55 ASN N N 55 118.986 118.986 119.620 -0.634 19600 3849 1 12 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.291 -0.170 19600 3850 1 12 . 1 1 55 55 ASN CA C 55 55.695 55.695 57.276 -1.581 19600 3851 1 12 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.630 -0.889 19600 3852 1 12 . 1 1 55 55 ASN H H 55 7.953 7.953 8.396 -0.443 19600 3853 1 12 . 1 1 56 56 ARG N N 56 124.991 124.991 118.822 6.169 19600 3854 1 12 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.082 -0.800 19600 3855 1 12 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.840 -0.992 19600 3856 1 12 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.210 -2.538 19600 3857 1 12 . 1 1 56 56 ARG H H 56 8.263 8.263 8.217 0.046 19600 3858 1 12 . 1 1 57 57 ARG N N 57 120.173 120.173 119.808 0.365 19600 3859 1 12 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.384 0.405 19600 3860 1 12 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.259 2.920 19600 3861 1 12 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.232 2.293 19600 3862 1 12 . 1 1 57 57 ARG H H 57 8.343 8.343 7.545 0.798 19600 3863 1 12 . 1 1 58 58 ALA N N 58 121.602 121.602 119.644 1.958 19600 3864 1 12 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.446 -0.535 19600 3865 1 12 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.715 1.626 19600 3866 1 12 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.114 -1.338 19600 3867 1 12 . 1 1 58 58 ALA H H 58 7.179 7.179 8.020 -0.841 19600 3868 1 12 . 1 1 59 59 LYS N N 59 119.515 119.515 120.738 -1.223 19600 3869 1 12 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.983 -0.253 19600 3870 1 12 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.218 1.107 19600 3871 1 12 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.707 0.866 19600 3872 1 12 . 1 1 59 59 LYS H H 59 7.463 7.463 7.652 -0.189 19600 3873 1 12 . 1 1 60 60 TYR N N 60 120.152 120.152 118.718 1.434 19600 3874 1 12 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.066 0.094 19600 3875 1 12 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.949 1.065 19600 3876 1 12 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.313 1.497 19600 3877 1 12 . 1 1 60 60 TYR H H 60 7.874 7.874 7.843 0.031 19600 3878 1 12 . 1 1 61 61 ARG N N 61 118.122 118.122 118.937 -0.815 19600 3879 1 12 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.727 0.104 19600 3880 1 12 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.962 1.237 19600 3881 1 12 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.960 0.350 19600 3882 1 12 . 1 1 61 61 ARG H H 61 7.943 7.943 7.538 0.405 19600 3883 1 12 . 1 1 62 62 LEU N N 62 119.191 119.191 119.844 -0.653 19600 3884 1 12 . 1 1 62 62 LEU HA H 62 3.930 3.930 3.954 -0.024 19600 3885 1 12 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.411 -0.290 19600 3886 1 12 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.952 0.157 19600 3887 1 12 . 1 1 62 62 LEU H H 62 7.407 7.407 7.485 -0.078 19600 3888 1 12 . 1 1 63 63 GLN N N 63 118.201 118.201 116.851 1.350 19600 3889 1 12 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.034 -0.161 19600 3890 1 12 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.177 -0.839 19600 3891 1 12 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.265 0.606 19600 3892 1 12 . 1 1 63 63 GLN H H 63 7.676 7.676 8.219 -0.543 19600 3893 1 12 . 1 1 64 64 GLU N N 64 120.152 120.152 121.426 -1.274 19600 3894 1 12 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.891 -0.091 19600 3895 1 12 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.173 -1.670 19600 3896 1 12 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.522 0.665 19600 3897 1 12 . 1 1 64 64 GLU H H 64 7.808 7.808 7.770 0.038 19600 3898 1 12 . 1 1 65 65 LYS N N 65 120.364 120.364 115.504 4.860 19600 3899 1 12 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.066 -0.080 19600 3900 1 12 . 1 1 65 65 LYS CA C 65 56.871 56.871 57.985 -1.114 19600 3901 1 12 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.824 0.649 19600 3902 1 12 . 1 1 65 65 LYS H H 65 7.695 7.695 7.498 0.197 19600 3903 1 12 . 1 1 66 66 GLN N N 66 120.265 120.265 119.818 0.447 19600 3904 1 12 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.075 -0.047 19600 3905 1 12 . 1 1 66 66 GLN CA C 66 55.796 55.796 58.025 -2.229 19600 3906 1 12 . 1 1 66 66 GLN CB C 66 29.299 29.299 28.996 0.303 19600 3907 1 12 . 1 1 66 66 GLN H H 66 7.906 7.906 7.674 0.232 19600 3908 1 12 . 1 1 67 67 LYS N N 67 124.357 124.357 118.901 5.456 19600 3909 1 12 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.427 -0.111 19600 3910 1 12 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.231 -0.635 19600 3911 1 12 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.555 -0.098 19600 3912 1 12 . 1 1 67 67 LYS H H 67 7.963 7.963 7.857 0.106 19600 3913 1 13 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.505 -0.271 19600 3914 1 13 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.119 0.097 19600 3915 1 13 . 1 1 2 2 PRO CB C 2 32.566 32.566 31.224 1.341 19600 3916 1 13 . 1 1 3 3 ARG N N 3 122.101 122.101 122.898 -0.797 19600 3917 1 13 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.675 -0.624 19600 3918 1 13 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.361 0.147 19600 3919 1 13 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.574 -1.832 19600 3920 1 13 . 1 1 3 3 ARG H H 3 8.377 8.377 8.215 0.162 19600 3921 1 13 . 1 1 4 4 LYS N N 4 123.421 123.421 125.051 -1.630 19600 3922 1 13 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.087 -0.067 19600 3923 1 13 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.699 -1.117 19600 3924 1 13 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.337 0.865 19600 3925 1 13 . 1 1 4 4 LYS H H 4 8.278 8.278 7.930 0.348 19600 3926 1 13 . 1 1 5 5 ASN N N 5 120.133 120.133 115.869 4.264 19600 3927 1 13 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.680 -0.260 19600 3928 1 13 . 1 1 5 5 ASN CA C 5 53.372 53.372 54.092 -0.719 19600 3929 1 13 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.493 -0.597 19600 3930 1 13 . 1 1 5 5 ASN H H 5 8.318 8.318 7.980 0.338 19600 3931 1 13 . 1 1 6 6 ARG N N 6 121.990 121.990 118.097 3.893 19600 3932 1 13 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.484 -0.445 19600 3933 1 13 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.254 0.285 19600 3934 1 13 . 1 1 6 6 ARG CB C 6 30.729 30.729 31.107 -0.378 19600 3935 1 13 . 1 1 6 6 ARG H H 6 8.185 8.185 8.020 0.165 19600 3936 1 13 . 1 1 7 7 ARG N N 7 122.520 122.520 122.157 0.363 19600 3937 1 13 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.272 -0.262 19600 3938 1 13 . 1 1 7 7 ARG CA C 7 56.473 56.473 57.836 -1.363 19600 3939 1 13 . 1 1 7 7 ARG CB C 7 30.901 30.901 30.886 0.015 19600 3940 1 13 . 1 1 7 7 ARG H H 7 8.237 8.237 8.251 -0.014 19600 3941 1 13 . 1 1 8 8 GLU N N 8 121.543 121.543 115.751 5.792 19600 3942 1 13 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.455 -0.436 19600 3943 1 13 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.652 0.894 19600 3944 1 13 . 1 1 8 8 GLU CB C 8 30.559 30.559 31.558 -0.999 19600 3945 1 13 . 1 1 8 8 GLU H H 8 7.971 7.971 8.269 -0.298 19600 3946 1 13 . 1 1 9 9 ARG N N 9 122.730 122.730 120.702 2.028 19600 3947 1 13 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.003 0.148 19600 3948 1 13 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.461 -2.066 19600 3949 1 13 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.248 0.705 19600 3950 1 13 . 1 1 9 9 ARG H H 9 8.290 8.290 8.457 -0.167 19600 3951 1 13 . 1 1 10 10 THR N N 10 116.410 116.410 107.053 9.357 19600 3952 1 13 . 1 1 10 10 THR HA H 10 4.073 4.073 4.258 -0.185 19600 3953 1 13 . 1 1 10 10 THR CA C 10 62.073 62.073 60.797 1.276 19600 3954 1 13 . 1 1 10 10 THR CB C 10 70.102 70.102 69.531 0.571 19600 3955 1 13 . 1 1 10 10 THR H H 10 8.132 8.132 7.611 0.521 19600 3956 1 13 . 1 1 11 11 THR N N 11 117.607 117.607 113.995 3.612 19600 3957 1 13 . 1 1 11 11 THR HA H 11 4.101 4.101 4.098 0.003 19600 3958 1 13 . 1 1 11 11 THR CA C 11 61.581 61.581 65.006 -3.425 19600 3959 1 13 . 1 1 11 11 THR CB C 11 70.193 70.193 68.973 1.220 19600 3960 1 13 . 1 1 11 11 THR H H 11 7.868 7.868 8.315 -0.447 19600 3961 1 13 . 1 1 12 12 TYR N N 12 122.200 122.200 114.783 7.417 19600 3962 1 13 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.803 -0.205 19600 3963 1 13 . 1 1 12 12 TYR CA C 12 57.101 57.101 56.022 1.079 19600 3964 1 13 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.874 0.643 19600 3965 1 13 . 1 1 12 12 TYR H H 12 8.053 8.053 7.150 0.903 19600 3966 1 13 . 1 1 13 13 SER N N 13 119.084 119.084 117.243 1.841 19600 3967 1 13 . 1 1 13 13 SER HA H 13 4.340 4.340 4.833 -0.493 19600 3968 1 13 . 1 1 13 13 SER CA C 13 56.906 56.906 56.863 0.043 19600 3969 1 13 . 1 1 13 13 SER CB C 13 65.860 65.860 66.717 -0.857 19600 3970 1 13 . 1 1 13 13 SER H H 13 8.976 8.976 8.498 0.478 19600 3971 1 13 . 1 1 14 14 ARG N N 14 121.463 121.463 122.258 -0.795 19600 3972 1 13 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.370 -0.620 19600 3973 1 13 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.154 1.824 19600 3974 1 13 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.324 -0.879 19600 3975 1 13 . 1 1 14 14 ARG H H 14 8.824 8.824 8.821 0.003 19600 3976 1 13 . 1 1 15 15 GLN N N 15 117.760 117.760 118.969 -1.209 19600 3977 1 13 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.898 -0.081 19600 3978 1 13 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.987 -0.381 19600 3979 1 13 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.929 0.301 19600 3980 1 13 . 1 1 15 15 GLN H H 15 8.341 8.341 8.647 -0.306 19600 3981 1 13 . 1 1 16 16 GLN N N 16 117.933 117.933 116.358 1.575 19600 3982 1 13 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.967 -0.465 19600 3983 1 13 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.261 1.272 19600 3984 1 13 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.271 0.159 19600 3985 1 13 . 1 1 16 16 GLN H H 16 7.487 7.487 8.366 -0.879 19600 3986 1 13 . 1 1 17 17 LEU N N 17 117.025 117.025 116.279 0.746 19600 3987 1 13 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.363 -0.991 19600 3988 1 13 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.875 1.886 19600 3989 1 13 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.000 -0.508 19600 3990 1 13 . 1 1 17 17 LEU H H 17 8.070 8.070 7.786 0.284 19600 3991 1 13 . 1 1 18 18 GLU N N 18 118.469 118.469 121.265 -2.796 19600 3992 1 13 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.160 -0.430 19600 3993 1 13 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.404 0.363 19600 3994 1 13 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.522 0.029 19600 3995 1 13 . 1 1 18 18 GLU H H 18 7.857 7.857 7.989 -0.132 19600 3996 1 13 . 1 1 19 19 ILE N N 19 121.154 121.154 118.849 2.305 19600 3997 1 13 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.752 -0.332 19600 3998 1 13 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.823 -1.286 19600 3999 1 13 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.568 0.123 19600 4000 1 13 . 1 1 19 19 ILE H H 19 7.076 7.076 7.703 -0.627 19600 4001 1 13 . 1 1 20 20 LEU N N 20 122.911 122.911 117.256 5.655 19600 4002 1 13 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.559 -1.235 19600 4003 1 13 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.799 1.918 19600 4004 1 13 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.172 -1.610 19600 4005 1 13 . 1 1 20 20 LEU H H 20 7.600 7.600 7.317 0.283 19600 4006 1 13 . 1 1 21 21 GLU N N 21 118.448 118.448 120.138 -1.690 19600 4007 1 13 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.154 -0.142 19600 4008 1 13 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.436 -0.508 19600 4009 1 13 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.656 -0.515 19600 4010 1 13 . 1 1 21 21 GLU H H 21 8.354 8.354 8.076 0.278 19600 4011 1 13 . 1 1 22 22 THR N N 22 116.336 116.336 113.389 2.947 19600 4012 1 13 . 1 1 22 22 THR HA H 22 3.745 3.745 4.264 -0.519 19600 4013 1 13 . 1 1 22 22 THR CA C 22 67.433 67.433 65.885 1.548 19600 4014 1 13 . 1 1 22 22 THR CB C 22 68.490 68.490 69.673 -1.183 19600 4015 1 13 . 1 1 22 22 THR H H 22 7.703 7.703 8.494 -0.791 19600 4016 1 13 . 1 1 23 23 LEU N N 23 123.532 123.532 122.758 0.774 19600 4017 1 13 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.235 -0.036 19600 4018 1 13 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.048 0.247 19600 4019 1 13 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.132 -1.295 19600 4020 1 13 . 1 1 23 23 LEU H H 23 7.501 7.501 7.683 -0.182 19600 4021 1 13 . 1 1 24 24 PHE N N 24 120.756 120.756 119.447 1.309 19600 4022 1 13 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.277 0.158 19600 4023 1 13 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.754 0.578 19600 4024 1 13 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.875 0.103 19600 4025 1 13 . 1 1 24 24 PHE H H 24 8.708 8.708 8.187 0.521 19600 4026 1 13 . 1 1 25 25 ASN N N 25 113.604 113.604 115.551 -1.947 19600 4027 1 13 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.220 -0.146 19600 4028 1 13 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.096 0.252 19600 4029 1 13 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.889 -0.089 19600 4030 1 13 . 1 1 25 25 ASN H H 25 7.827 7.827 7.779 0.048 19600 4031 1 13 . 1 1 26 26 GLU N N 26 120.985 120.985 119.338 1.647 19600 4032 1 13 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.113 -0.142 19600 4033 1 13 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.389 0.112 19600 4034 1 13 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.384 -0.296 19600 4035 1 13 . 1 1 26 26 GLU H H 26 7.532 7.532 7.851 -0.319 19600 4036 1 13 . 1 1 27 27 THR N N 27 115.986 115.986 107.706 8.280 19600 4037 1 13 . 1 1 27 27 THR HA H 27 4.085 4.085 4.207 -0.122 19600 4038 1 13 . 1 1 27 27 THR CA C 27 59.365 59.365 61.147 -1.782 19600 4039 1 13 . 1 1 27 27 THR CB C 27 69.151 69.151 68.558 0.593 19600 4040 1 13 . 1 1 27 27 THR H H 27 8.719 8.719 8.175 0.544 19600 4041 1 13 . 1 1 28 28 GLN N N 28 122.144 122.144 121.685 0.459 19600 4042 1 13 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.472 -0.818 19600 4043 1 13 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.097 2.123 19600 4044 1 13 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.698 -1.638 19600 4045 1 13 . 1 1 28 28 GLN H H 28 7.963 7.963 8.015 -0.052 19600 4046 1 13 . 1 1 29 29 TYR N N 29 114.355 114.355 119.797 -5.442 19600 4047 1 13 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.946 -0.517 19600 4048 1 13 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.314 2.143 19600 4049 1 13 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.919 1.078 19600 4050 1 13 . 1 1 29 29 TYR H H 29 7.680 7.680 7.757 -0.077 19600 4051 1 13 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.370 -0.296 19600 4052 1 13 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.144 -0.741 19600 4053 1 13 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.863 0.823 19600 4054 1 13 . 1 1 31 31 ASP N N 31 123.957 123.957 122.306 1.651 19600 4055 1 13 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.804 -0.613 19600 4056 1 13 . 1 1 31 31 ASP CA C 31 52.813 52.813 53.076 -0.263 19600 4057 1 13 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.848 -3.761 19600 4058 1 13 . 1 1 31 31 ASP H H 31 8.496 8.496 7.902 0.594 19600 4059 1 13 . 1 1 32 32 VAL N N 32 117.950 117.950 119.397 -1.447 19600 4060 1 13 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.721 -0.523 19600 4061 1 13 . 1 1 32 32 VAL CA C 32 66.250 66.250 65.256 0.994 19600 4062 1 13 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.350 0.143 19600 4063 1 13 . 1 1 32 32 VAL H H 32 8.162 8.162 8.429 -0.267 19600 4064 1 13 . 1 1 33 33 PHE N N 33 120.199 120.199 118.808 1.391 19600 4065 1 13 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.163 -0.127 19600 4066 1 13 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.100 -0.586 19600 4067 1 13 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.307 -0.374 19600 4068 1 13 . 1 1 33 33 PHE H H 33 6.841 6.841 8.350 -1.509 19600 4069 1 13 . 1 1 34 34 ALA N N 34 123.742 123.742 120.269 3.473 19600 4070 1 13 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.355 -0.473 19600 4071 1 13 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.038 1.104 19600 4072 1 13 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.305 -0.746 19600 4073 1 13 . 1 1 34 34 ALA H H 34 8.139 8.139 7.990 0.149 19600 4074 1 13 . 1 1 35 35 ARG N N 35 116.197 116.197 118.462 -2.265 19600 4075 1 13 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.837 -0.283 19600 4076 1 13 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.222 1.525 19600 4077 1 13 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.583 1.587 19600 4078 1 13 . 1 1 35 35 ARG H H 35 8.281 8.281 7.921 0.360 19600 4079 1 13 . 1 1 36 36 GLU N N 36 119.133 119.133 118.184 0.949 19600 4080 1 13 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.999 -0.302 19600 4081 1 13 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.718 0.993 19600 4082 1 13 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.471 -0.021 19600 4083 1 13 . 1 1 36 36 GLU H H 36 8.382 8.382 8.423 -0.041 19600 4084 1 13 . 1 1 37 37 ARG N N 37 119.597 119.597 118.896 0.701 19600 4085 1 13 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.226 -0.314 19600 4086 1 13 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.867 0.826 19600 4087 1 13 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.841 -0.838 19600 4088 1 13 . 1 1 37 37 ARG H H 37 7.707 7.707 7.573 0.134 19600 4089 1 13 . 1 1 38 38 VAL N N 38 119.099 119.099 118.153 0.946 19600 4090 1 13 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.732 0.043 19600 4091 1 13 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.522 0.297 19600 4092 1 13 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.503 1.140 19600 4093 1 13 . 1 1 38 38 VAL H H 38 7.630 7.630 8.148 -0.518 19600 4094 1 13 . 1 1 39 39 ALA N N 39 124.624 124.624 123.028 1.596 19600 4095 1 13 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.937 -0.246 19600 4096 1 13 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.053 1.361 19600 4097 1 13 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.317 -0.067 19600 4098 1 13 . 1 1 39 39 ALA H H 39 8.196 8.196 8.000 0.196 19600 4099 1 13 . 1 1 40 40 ASP N N 40 115.786 115.786 116.012 -0.226 19600 4100 1 13 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.643 -0.446 19600 4101 1 13 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.643 1.172 19600 4102 1 13 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.182 0.125 19600 4103 1 13 . 1 1 40 40 ASP H H 40 7.510 7.510 8.128 -0.618 19600 4104 1 13 . 1 1 41 41 GLN N N 41 118.952 118.952 117.562 1.390 19600 4105 1 13 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.251 -0.416 19600 4106 1 13 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.848 1.471 19600 4107 1 13 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.738 -0.173 19600 4108 1 13 . 1 1 41 41 GLN H H 41 7.643 7.643 7.866 -0.223 19600 4109 1 13 . 1 1 42 42 ILE N N 42 108.381 108.381 112.103 -3.722 19600 4110 1 13 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.413 -0.021 19600 4111 1 13 . 1 1 42 42 ILE CA C 42 60.792 60.792 60.850 -0.058 19600 4112 1 13 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.614 -0.172 19600 4113 1 13 . 1 1 42 42 ILE H H 42 8.076 8.076 7.648 0.428 19600 4114 1 13 . 1 1 43 43 ARG N N 43 119.055 119.055 118.026 1.029 19600 4115 1 13 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.001 -0.263 19600 4116 1 13 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.468 0.355 19600 4117 1 13 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.550 -1.484 19600 4118 1 13 . 1 1 43 43 ARG H H 43 7.588 7.588 7.463 0.125 19600 4119 1 13 . 1 1 44 44 LEU N N 44 119.135 119.135 118.693 0.442 19600 4120 1 13 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.603 -0.035 19600 4121 1 13 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.185 -0.190 19600 4122 1 13 . 1 1 44 44 LEU CB C 44 47.600 47.600 44.965 2.635 19600 4123 1 13 . 1 1 44 44 LEU H H 44 7.648 7.648 8.319 -0.671 19600 4124 1 13 . 1 1 45 45 GLN N N 45 118.784 118.784 120.136 -1.352 19600 4125 1 13 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.248 -0.183 19600 4126 1 13 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.404 -0.077 19600 4127 1 13 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.474 0.328 19600 4128 1 13 . 1 1 45 45 GLN H H 45 8.107 8.107 8.389 -0.282 19600 4129 1 13 . 1 1 46 46 GLU N N 46 125.074 125.074 122.712 2.362 19600 4130 1 13 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.040 -0.497 19600 4131 1 13 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.028 2.135 19600 4132 1 13 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.434 -0.798 19600 4133 1 13 . 1 1 46 46 GLU H H 46 9.097 9.097 8.903 0.194 19600 4134 1 13 . 1 1 47 47 SER N N 47 113.706 113.706 113.605 0.101 19600 4135 1 13 . 1 1 47 47 SER HA H 47 3.828 3.828 4.385 -0.557 19600 4136 1 13 . 1 1 47 47 SER CA C 47 61.464 61.464 60.016 1.448 19600 4137 1 13 . 1 1 47 47 SER CB C 47 61.867 61.867 62.942 -1.075 19600 4138 1 13 . 1 1 47 47 SER H H 47 8.533 8.533 8.056 0.477 19600 4139 1 13 . 1 1 48 48 ARG N N 48 121.795 121.795 120.911 0.884 19600 4140 1 13 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.278 -0.230 19600 4141 1 13 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.831 0.325 19600 4142 1 13 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.643 -0.168 19600 4143 1 13 . 1 1 48 48 ARG H H 48 7.153 7.153 7.905 -0.752 19600 4144 1 13 . 1 1 49 49 ILE N N 49 121.647 121.647 121.398 0.249 19600 4145 1 13 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.804 -0.169 19600 4146 1 13 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.327 0.186 19600 4147 1 13 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.704 -0.881 19600 4148 1 13 . 1 1 49 49 ILE H H 49 7.613 7.613 8.047 -0.434 19600 4149 1 13 . 1 1 50 50 GLN N N 50 118.579 118.579 118.452 0.127 19600 4150 1 13 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.114 0.019 19600 4151 1 13 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.087 1.386 19600 4152 1 13 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.425 0.607 19600 4153 1 13 . 1 1 50 50 GLN H H 50 8.051 8.051 8.315 -0.264 19600 4154 1 13 . 1 1 51 51 VAL N N 51 120.580 120.580 114.585 5.995 19600 4155 1 13 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.935 -0.492 19600 4156 1 13 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.554 1.533 19600 4157 1 13 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.563 0.715 19600 4158 1 13 . 1 1 51 51 VAL H H 51 7.372 7.372 7.826 -0.454 19600 4159 1 13 . 1 1 52 52 TRP N N 52 121.485 121.485 120.851 0.634 19600 4160 1 13 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.582 -0.808 19600 4161 1 13 . 1 1 52 52 TRP CA C 52 63.502 63.502 60.227 3.275 19600 4162 1 13 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.781 -1.393 19600 4163 1 13 . 1 1 52 52 TRP H H 52 8.135 8.135 7.384 0.751 19600 4164 1 13 . 1 1 53 53 PHE N N 53 118.122 118.122 120.948 -2.826 19600 4165 1 13 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.185 -0.764 19600 4166 1 13 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.139 3.848 19600 4167 1 13 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.056 0.296 19600 4168 1 13 . 1 1 53 53 PHE H H 53 8.764 8.764 8.520 0.244 19600 4169 1 13 . 1 1 54 54 LYS N N 54 120.838 120.838 118.593 2.245 19600 4170 1 13 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.802 -0.087 19600 4171 1 13 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.244 3.433 19600 4172 1 13 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.367 -0.175 19600 4173 1 13 . 1 1 54 54 LYS H H 54 7.947 7.947 7.548 0.399 19600 4174 1 13 . 1 1 55 55 ASN N N 55 118.986 118.986 119.501 -0.515 19600 4175 1 13 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.288 -0.167 19600 4176 1 13 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.586 -0.891 19600 4177 1 13 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.398 -0.658 19600 4178 1 13 . 1 1 55 55 ASN H H 55 7.953 7.953 8.322 -0.369 19600 4179 1 13 . 1 1 56 56 ARG N N 56 124.991 124.991 119.632 5.359 19600 4180 1 13 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.142 -0.860 19600 4181 1 13 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.804 -0.956 19600 4182 1 13 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.227 -2.555 19600 4183 1 13 . 1 1 56 56 ARG H H 56 8.263 8.263 8.278 -0.015 19600 4184 1 13 . 1 1 57 57 ARG N N 57 120.173 120.173 119.896 0.277 19600 4185 1 13 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.383 0.406 19600 4186 1 13 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.246 2.933 19600 4187 1 13 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.110 2.415 19600 4188 1 13 . 1 1 57 57 ARG H H 57 8.343 8.343 7.563 0.780 19600 4189 1 13 . 1 1 58 58 ALA N N 58 121.602 121.602 119.729 1.873 19600 4190 1 13 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.412 -0.501 19600 4191 1 13 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.728 1.613 19600 4192 1 13 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.110 -1.334 19600 4193 1 13 . 1 1 58 58 ALA H H 58 7.179 7.179 7.938 -0.759 19600 4194 1 13 . 1 1 59 59 LYS N N 59 119.515 119.515 120.674 -1.159 19600 4195 1 13 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.966 -0.236 19600 4196 1 13 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.476 0.849 19600 4197 1 13 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.781 0.792 19600 4198 1 13 . 1 1 59 59 LYS H H 59 7.463 7.463 7.673 -0.210 19600 4199 1 13 . 1 1 60 60 TYR N N 60 120.152 120.152 118.735 1.417 19600 4200 1 13 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.112 0.048 19600 4201 1 13 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.053 0.961 19600 4202 1 13 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.472 1.338 19600 4203 1 13 . 1 1 60 60 TYR H H 60 7.874 7.874 7.861 0.013 19600 4204 1 13 . 1 1 61 61 ARG N N 61 118.122 118.122 119.136 -1.014 19600 4205 1 13 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.735 0.096 19600 4206 1 13 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.906 1.293 19600 4207 1 13 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.995 0.314 19600 4208 1 13 . 1 1 61 61 ARG H H 61 7.943 7.943 7.551 0.392 19600 4209 1 13 . 1 1 62 62 LEU N N 62 119.191 119.191 119.885 -0.694 19600 4210 1 13 . 1 1 62 62 LEU HA H 62 3.930 3.930 3.911 0.019 19600 4211 1 13 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.673 -0.552 19600 4212 1 13 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.829 0.280 19600 4213 1 13 . 1 1 62 62 LEU H H 62 7.407 7.407 7.277 0.130 19600 4214 1 13 . 1 1 63 63 GLN N N 63 118.201 118.201 116.093 2.108 19600 4215 1 13 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.007 -0.134 19600 4216 1 13 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.225 -0.887 19600 4217 1 13 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.172 0.699 19600 4218 1 13 . 1 1 63 63 GLN H H 63 7.676 7.676 8.090 -0.414 19600 4219 1 13 . 1 1 64 64 GLU N N 64 120.152 120.152 121.964 -1.812 19600 4220 1 13 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.860 -0.060 19600 4221 1 13 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.234 -1.731 19600 4222 1 13 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.597 0.590 19600 4223 1 13 . 1 1 64 64 GLU H H 64 7.808 7.808 7.566 0.242 19600 4224 1 13 . 1 1 65 65 LYS N N 65 120.364 120.364 115.867 4.497 19600 4225 1 13 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.089 -0.103 19600 4226 1 13 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.025 -1.154 19600 4227 1 13 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.958 0.515 19600 4228 1 13 . 1 1 65 65 LYS H H 65 7.695 7.695 7.529 0.166 19600 4229 1 13 . 1 1 66 66 GLN N N 66 120.265 120.265 119.489 0.776 19600 4230 1 13 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.210 -0.182 19600 4231 1 13 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.736 -1.940 19600 4232 1 13 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.379 -0.080 19600 4233 1 13 . 1 1 66 66 GLN H H 66 7.906 7.906 7.731 0.175 19600 4234 1 13 . 1 1 67 67 LYS N N 67 124.357 124.357 119.592 4.765 19600 4235 1 13 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.807 -0.491 19600 4236 1 13 . 1 1 67 67 LYS CA C 67 54.596 54.596 53.444 1.152 19600 4237 1 13 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.458 -0.001 19600 4238 1 13 . 1 1 67 67 LYS H H 67 7.963 7.963 8.220 -0.257 19600 4239 1 14 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.657 -0.423 19600 4240 1 14 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.623 0.593 19600 4241 1 14 . 1 1 2 2 PRO CB C 2 32.566 32.566 32.712 -0.146 19600 4242 1 14 . 1 1 3 3 ARG N N 3 122.101 122.101 117.521 4.580 19600 4243 1 14 . 1 1 3 3 ARG HA H 3 4.051 4.051 3.927 0.124 19600 4244 1 14 . 1 1 3 3 ARG CA C 3 56.508 56.508 57.071 -0.563 19600 4245 1 14 . 1 1 3 3 ARG CB C 3 30.742 30.742 29.980 0.763 19600 4246 1 14 . 1 1 3 3 ARG H H 3 8.377 8.377 8.786 -0.409 19600 4247 1 14 . 1 1 4 4 LYS N N 4 123.421 123.421 125.114 -1.693 19600 4248 1 14 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.156 -0.136 19600 4249 1 14 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.149 -0.567 19600 4250 1 14 . 1 1 4 4 LYS CB C 4 33.202 33.202 32.493 0.709 19600 4251 1 14 . 1 1 4 4 LYS H H 4 8.278 8.278 7.907 0.371 19600 4252 1 14 . 1 1 5 5 ASN N N 5 120.133 120.133 116.142 3.991 19600 4253 1 14 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.671 -0.251 19600 4254 1 14 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.850 -0.478 19600 4255 1 14 . 1 1 5 5 ASN CB C 5 38.896 38.896 40.010 -1.114 19600 4256 1 14 . 1 1 5 5 ASN H H 5 8.318 8.318 7.722 0.596 19600 4257 1 14 . 1 1 6 6 ARG N N 6 121.990 121.990 119.327 2.663 19600 4258 1 14 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.650 -0.611 19600 4259 1 14 . 1 1 6 6 ARG CA C 6 56.539 56.539 55.823 0.716 19600 4260 1 14 . 1 1 6 6 ARG CB C 6 30.729 30.729 32.044 -1.315 19600 4261 1 14 . 1 1 6 6 ARG H H 6 8.185 8.185 7.864 0.321 19600 4262 1 14 . 1 1 7 7 ARG N N 7 122.520 122.520 119.394 3.126 19600 4263 1 14 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.136 -0.126 19600 4264 1 14 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.904 -0.431 19600 4265 1 14 . 1 1 7 7 ARG CB C 7 30.901 30.901 29.474 1.427 19600 4266 1 14 . 1 1 7 7 ARG H H 7 8.237 8.237 8.751 -0.514 19600 4267 1 14 . 1 1 8 8 GLU N N 8 121.543 121.543 117.753 3.790 19600 4268 1 14 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.109 -0.090 19600 4269 1 14 . 1 1 8 8 GLU CA C 8 56.546 56.546 54.107 2.439 19600 4270 1 14 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.617 -0.058 19600 4271 1 14 . 1 1 8 8 GLU H H 8 7.971 7.971 8.017 -0.046 19600 4272 1 14 . 1 1 9 9 ARG N N 9 122.730 122.730 119.257 3.473 19600 4273 1 14 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.108 0.043 19600 4274 1 14 . 1 1 9 9 ARG CA C 9 56.395 56.395 57.834 -1.439 19600 4275 1 14 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.615 0.338 19600 4276 1 14 . 1 1 9 9 ARG H H 9 8.290 8.290 8.577 -0.287 19600 4277 1 14 . 1 1 10 10 THR N N 10 116.410 116.410 107.575 8.835 19600 4278 1 14 . 1 1 10 10 THR HA H 10 4.073 4.073 4.380 -0.307 19600 4279 1 14 . 1 1 10 10 THR CA C 10 62.073 62.073 60.760 1.313 19600 4280 1 14 . 1 1 10 10 THR CB C 10 70.102 70.102 69.136 0.966 19600 4281 1 14 . 1 1 10 10 THR H H 10 8.132 8.132 7.282 0.850 19600 4282 1 14 . 1 1 11 11 THR N N 11 117.607 117.607 116.196 1.411 19600 4283 1 14 . 1 1 11 11 THR HA H 11 4.101 4.101 4.090 0.011 19600 4284 1 14 . 1 1 11 11 THR CA C 11 61.581 61.581 64.148 -2.567 19600 4285 1 14 . 1 1 11 11 THR CB C 11 70.193 70.193 68.776 1.417 19600 4286 1 14 . 1 1 11 11 THR H H 11 7.868 7.868 8.287 -0.419 19600 4287 1 14 . 1 1 12 12 TYR N N 12 122.200 122.200 115.229 6.971 19600 4288 1 14 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.819 -0.221 19600 4289 1 14 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.472 1.629 19600 4290 1 14 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.089 1.428 19600 4291 1 14 . 1 1 12 12 TYR H H 12 8.053 8.053 7.195 0.858 19600 4292 1 14 . 1 1 13 13 SER N N 13 119.084 119.084 119.341 -0.257 19600 4293 1 14 . 1 1 13 13 SER HA H 13 4.340 4.340 4.905 -0.565 19600 4294 1 14 . 1 1 13 13 SER CA C 13 56.906 56.906 55.920 0.986 19600 4295 1 14 . 1 1 13 13 SER CB C 13 65.860 65.860 66.400 -0.540 19600 4296 1 14 . 1 1 13 13 SER H H 13 8.976 8.976 8.108 0.868 19600 4297 1 14 . 1 1 14 14 ARG N N 14 121.463 121.463 119.698 1.765 19600 4298 1 14 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.332 -0.582 19600 4299 1 14 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.270 1.708 19600 4300 1 14 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.093 -0.648 19600 4301 1 14 . 1 1 14 14 ARG H H 14 8.824 8.824 8.900 -0.076 19600 4302 1 14 . 1 1 15 15 GLN N N 15 117.760 117.760 118.777 -1.017 19600 4303 1 14 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.942 -0.125 19600 4304 1 14 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.599 0.007 19600 4305 1 14 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.907 0.323 19600 4306 1 14 . 1 1 15 15 GLN H H 15 8.341 8.341 8.591 -0.250 19600 4307 1 14 . 1 1 16 16 GLN N N 16 117.933 117.933 116.675 1.258 19600 4308 1 14 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.974 -0.472 19600 4309 1 14 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.404 1.129 19600 4310 1 14 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.616 -0.186 19600 4311 1 14 . 1 1 16 16 GLN H H 16 7.487 7.487 8.137 -0.650 19600 4312 1 14 . 1 1 17 17 LEU N N 17 117.025 117.025 116.075 0.950 19600 4313 1 14 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.365 -0.993 19600 4314 1 14 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.825 1.936 19600 4315 1 14 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.900 -0.408 19600 4316 1 14 . 1 1 17 17 LEU H H 17 8.070 8.070 7.771 0.299 19600 4317 1 14 . 1 1 18 18 GLU N N 18 118.469 118.469 121.265 -2.796 19600 4318 1 14 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.152 -0.422 19600 4319 1 14 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.369 0.398 19600 4320 1 14 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.478 0.073 19600 4321 1 14 . 1 1 18 18 GLU H H 18 7.857 7.857 7.983 -0.126 19600 4322 1 14 . 1 1 19 19 ILE N N 19 121.154 121.154 118.775 2.379 19600 4323 1 14 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.741 -0.321 19600 4324 1 14 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.757 -1.220 19600 4325 1 14 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.576 0.115 19600 4326 1 14 . 1 1 19 19 ILE H H 19 7.076 7.076 7.693 -0.617 19600 4327 1 14 . 1 1 20 20 LEU N N 20 122.911 122.911 117.330 5.581 19600 4328 1 14 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.576 -1.252 19600 4329 1 14 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.733 1.984 19600 4330 1 14 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.147 -1.585 19600 4331 1 14 . 1 1 20 20 LEU H H 20 7.600 7.600 7.301 0.299 19600 4332 1 14 . 1 1 21 21 GLU N N 21 118.448 118.448 120.309 -1.861 19600 4333 1 14 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.110 -0.098 19600 4334 1 14 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.482 -0.554 19600 4335 1 14 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.670 -0.529 19600 4336 1 14 . 1 1 21 21 GLU H H 21 8.354 8.354 8.049 0.305 19600 4337 1 14 . 1 1 22 22 THR N N 22 116.336 116.336 113.728 2.608 19600 4338 1 14 . 1 1 22 22 THR HA H 22 3.745 3.745 4.290 -0.545 19600 4339 1 14 . 1 1 22 22 THR CA C 22 67.433 67.433 66.312 1.121 19600 4340 1 14 . 1 1 22 22 THR CB C 22 68.490 68.490 69.322 -0.832 19600 4341 1 14 . 1 1 22 22 THR H H 22 7.703 7.703 8.509 -0.806 19600 4342 1 14 . 1 1 23 23 LEU N N 23 123.532 123.532 122.973 0.559 19600 4343 1 14 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.141 0.058 19600 4344 1 14 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.069 0.226 19600 4345 1 14 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.031 -1.194 19600 4346 1 14 . 1 1 23 23 LEU H H 23 7.501 7.501 7.673 -0.172 19600 4347 1 14 . 1 1 24 24 PHE N N 24 120.756 120.756 119.372 1.384 19600 4348 1 14 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.206 0.229 19600 4349 1 14 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.948 0.384 19600 4350 1 14 . 1 1 24 24 PHE CB C 24 38.978 38.978 39.023 -0.045 19600 4351 1 14 . 1 1 24 24 PHE H H 24 8.708 8.708 8.356 0.352 19600 4352 1 14 . 1 1 25 25 ASN N N 25 113.604 113.604 115.704 -2.100 19600 4353 1 14 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.495 -0.421 19600 4354 1 14 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.808 0.541 19600 4355 1 14 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.931 -0.131 19600 4356 1 14 . 1 1 25 25 ASN H H 25 7.827 7.827 7.894 -0.067 19600 4357 1 14 . 1 1 26 26 GLU N N 26 120.985 120.985 119.664 1.321 19600 4358 1 14 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.166 -0.195 19600 4359 1 14 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.295 0.206 19600 4360 1 14 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.326 -0.238 19600 4361 1 14 . 1 1 26 26 GLU H H 26 7.532 7.532 8.010 -0.478 19600 4362 1 14 . 1 1 27 27 THR N N 27 115.986 115.986 107.125 8.861 19600 4363 1 14 . 1 1 27 27 THR HA H 27 4.085 4.085 4.334 -0.249 19600 4364 1 14 . 1 1 27 27 THR CA C 27 59.365 59.365 61.101 -1.736 19600 4365 1 14 . 1 1 27 27 THR CB C 27 69.151 69.151 69.582 -0.431 19600 4366 1 14 . 1 1 27 27 THR H H 27 8.719 8.719 7.882 0.837 19600 4367 1 14 . 1 1 28 28 GLN N N 28 122.144 122.144 119.184 2.960 19600 4368 1 14 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.393 -0.739 19600 4369 1 14 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.379 1.841 19600 4370 1 14 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.710 -1.650 19600 4371 1 14 . 1 1 28 28 GLN H H 28 7.963 7.963 8.103 -0.140 19600 4372 1 14 . 1 1 29 29 TYR N N 29 114.355 114.355 120.561 -6.206 19600 4373 1 14 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.825 -0.396 19600 4374 1 14 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.343 2.114 19600 4375 1 14 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.857 1.140 19600 4376 1 14 . 1 1 29 29 TYR H H 29 7.680 7.680 7.732 -0.052 19600 4377 1 14 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.303 -0.229 19600 4378 1 14 . 1 1 30 30 PRO CA C 30 62.403 62.403 62.957 -0.554 19600 4379 1 14 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.854 0.832 19600 4380 1 14 . 1 1 31 31 ASP N N 31 123.957 123.957 121.776 2.181 19600 4381 1 14 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.778 -0.587 19600 4382 1 14 . 1 1 31 31 ASP CA C 31 52.813 52.813 51.745 1.069 19600 4383 1 14 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.111 -3.024 19600 4384 1 14 . 1 1 31 31 ASP H H 31 8.496 8.496 7.935 0.561 19600 4385 1 14 . 1 1 32 32 VAL N N 32 117.950 117.950 118.975 -1.025 19600 4386 1 14 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.754 -0.556 19600 4387 1 14 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.184 0.066 19600 4388 1 14 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.532 -0.039 19600 4389 1 14 . 1 1 32 32 VAL H H 32 8.162 8.162 8.432 -0.270 19600 4390 1 14 . 1 1 33 33 PHE N N 33 120.199 120.199 119.531 0.668 19600 4391 1 14 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.183 -0.147 19600 4392 1 14 . 1 1 33 33 PHE CA C 33 60.514 60.514 60.490 0.024 19600 4393 1 14 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.386 -0.453 19600 4394 1 14 . 1 1 33 33 PHE H H 33 6.841 6.841 8.286 -1.445 19600 4395 1 14 . 1 1 34 34 ALA N N 34 123.742 123.742 121.801 1.941 19600 4396 1 14 . 1 1 34 34 ALA HA H 34 3.882 3.882 3.988 -0.106 19600 4397 1 14 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.194 0.948 19600 4398 1 14 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.316 -0.757 19600 4399 1 14 . 1 1 34 34 ALA H H 34 8.139 8.139 8.068 0.071 19600 4400 1 14 . 1 1 35 35 ARG N N 35 116.197 116.197 118.945 -2.748 19600 4401 1 14 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.848 -0.294 19600 4402 1 14 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.281 1.466 19600 4403 1 14 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.661 1.509 19600 4404 1 14 . 1 1 35 35 ARG H H 35 8.281 8.281 7.861 0.420 19600 4405 1 14 . 1 1 36 36 GLU N N 36 119.133 119.133 117.922 1.211 19600 4406 1 14 . 1 1 36 36 GLU HA H 36 3.697 3.697 4.027 -0.330 19600 4407 1 14 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.680 1.030 19600 4408 1 14 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.543 -0.093 19600 4409 1 14 . 1 1 36 36 GLU H H 36 8.382 8.382 8.315 0.067 19600 4410 1 14 . 1 1 37 37 ARG N N 37 119.597 119.597 118.899 0.698 19600 4411 1 14 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.127 -0.215 19600 4412 1 14 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.764 0.929 19600 4413 1 14 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.768 -0.765 19600 4414 1 14 . 1 1 37 37 ARG H H 37 7.707 7.707 7.596 0.111 19600 4415 1 14 . 1 1 38 38 VAL N N 38 119.099 119.099 118.154 0.945 19600 4416 1 14 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.695 0.080 19600 4417 1 14 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.546 0.273 19600 4418 1 14 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.472 1.171 19600 4419 1 14 . 1 1 38 38 VAL H H 38 7.630 7.630 8.184 -0.554 19600 4420 1 14 . 1 1 39 39 ALA N N 39 124.624 124.624 122.982 1.642 19600 4421 1 14 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.916 -0.225 19600 4422 1 14 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.013 1.401 19600 4423 1 14 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.282 -0.032 19600 4424 1 14 . 1 1 39 39 ALA H H 39 8.196 8.196 7.861 0.335 19600 4425 1 14 . 1 1 40 40 ASP N N 40 115.786 115.786 115.719 0.067 19600 4426 1 14 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.610 -0.413 19600 4427 1 14 . 1 1 40 40 ASP CA C 40 56.815 56.815 56.130 0.685 19600 4428 1 14 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.211 0.096 19600 4429 1 14 . 1 1 40 40 ASP H H 40 7.510 7.510 8.145 -0.635 19600 4430 1 14 . 1 1 41 41 GLN N N 41 118.952 118.952 118.079 0.873 19600 4431 1 14 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.188 -0.353 19600 4432 1 14 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.963 1.356 19600 4433 1 14 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.380 0.185 19600 4434 1 14 . 1 1 41 41 GLN H H 41 7.643 7.643 7.805 -0.162 19600 4435 1 14 . 1 1 42 42 ILE N N 42 108.381 108.381 112.648 -4.267 19600 4436 1 14 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.371 0.021 19600 4437 1 14 . 1 1 42 42 ILE CA C 42 60.792 60.792 60.843 -0.051 19600 4438 1 14 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.605 -0.163 19600 4439 1 14 . 1 1 42 42 ILE H H 42 8.076 8.076 7.636 0.440 19600 4440 1 14 . 1 1 43 43 ARG N N 43 119.055 119.055 117.803 1.252 19600 4441 1 14 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.006 -0.268 19600 4442 1 14 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.442 0.381 19600 4443 1 14 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.731 -1.665 19600 4444 1 14 . 1 1 43 43 ARG H H 43 7.588 7.588 7.437 0.151 19600 4445 1 14 . 1 1 44 44 LEU N N 44 119.135 119.135 118.687 0.448 19600 4446 1 14 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.609 -0.041 19600 4447 1 14 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.191 -0.195 19600 4448 1 14 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.202 2.398 19600 4449 1 14 . 1 1 44 44 LEU H H 44 7.648 7.648 8.309 -0.661 19600 4450 1 14 . 1 1 45 45 GLN N N 45 118.784 118.784 120.322 -1.538 19600 4451 1 14 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.288 -0.223 19600 4452 1 14 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.203 0.124 19600 4453 1 14 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.441 0.361 19600 4454 1 14 . 1 1 45 45 GLN H H 45 8.107 8.107 8.370 -0.263 19600 4455 1 14 . 1 1 46 46 GLU N N 46 125.074 125.074 124.605 0.469 19600 4456 1 14 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.227 -0.684 19600 4457 1 14 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.253 1.910 19600 4458 1 14 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.564 -0.928 19600 4459 1 14 . 1 1 46 46 GLU H H 46 9.097 9.097 8.877 0.220 19600 4460 1 14 . 1 1 47 47 SER N N 47 113.706 113.706 114.307 -0.601 19600 4461 1 14 . 1 1 47 47 SER HA H 47 3.828 3.828 4.405 -0.577 19600 4462 1 14 . 1 1 47 47 SER CA C 47 61.464 61.464 60.286 1.178 19600 4463 1 14 . 1 1 47 47 SER CB C 47 61.867 61.867 63.471 -1.604 19600 4464 1 14 . 1 1 47 47 SER H H 47 8.533 8.533 7.798 0.735 19600 4465 1 14 . 1 1 48 48 ARG N N 48 121.795 121.795 121.940 -0.145 19600 4466 1 14 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.308 -0.260 19600 4467 1 14 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.727 0.429 19600 4468 1 14 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.994 -0.519 19600 4469 1 14 . 1 1 48 48 ARG H H 48 7.153 7.153 7.835 -0.682 19600 4470 1 14 . 1 1 49 49 ILE N N 49 121.647 121.647 121.299 0.348 19600 4471 1 14 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.726 -0.091 19600 4472 1 14 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.651 -0.138 19600 4473 1 14 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.897 -1.074 19600 4474 1 14 . 1 1 49 49 ILE H H 49 7.613 7.613 8.436 -0.823 19600 4475 1 14 . 1 1 50 50 GLN N N 50 118.579 118.579 118.701 -0.122 19600 4476 1 14 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.115 0.018 19600 4477 1 14 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.210 1.263 19600 4478 1 14 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.626 0.406 19600 4479 1 14 . 1 1 50 50 GLN H H 50 8.051 8.051 8.222 -0.171 19600 4480 1 14 . 1 1 51 51 VAL N N 51 120.580 120.580 115.338 5.242 19600 4481 1 14 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.968 -0.525 19600 4482 1 14 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.829 1.258 19600 4483 1 14 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.704 0.574 19600 4484 1 14 . 1 1 51 51 VAL H H 51 7.372 7.372 7.739 -0.367 19600 4485 1 14 . 1 1 52 52 TRP N N 52 121.485 121.485 120.248 1.237 19600 4486 1 14 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.598 -0.824 19600 4487 1 14 . 1 1 52 52 TRP CA C 52 63.502 63.502 60.344 3.158 19600 4488 1 14 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.823 -1.435 19600 4489 1 14 . 1 1 52 52 TRP H H 52 8.135 8.135 7.401 0.734 19600 4490 1 14 . 1 1 53 53 PHE N N 53 118.122 118.122 120.998 -2.876 19600 4491 1 14 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.197 -0.776 19600 4492 1 14 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.028 3.959 19600 4493 1 14 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.997 0.355 19600 4494 1 14 . 1 1 53 53 PHE H H 53 8.764 8.764 8.529 0.235 19600 4495 1 14 . 1 1 54 54 LYS N N 54 120.838 120.838 118.346 2.492 19600 4496 1 14 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.861 -0.146 19600 4497 1 14 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.319 3.358 19600 4498 1 14 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.419 -0.228 19600 4499 1 14 . 1 1 54 54 LYS H H 54 7.947 7.947 7.577 0.370 19600 4500 1 14 . 1 1 55 55 ASN N N 55 118.986 118.986 120.020 -1.034 19600 4501 1 14 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.248 -0.127 19600 4502 1 14 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.873 -1.178 19600 4503 1 14 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.284 -0.544 19600 4504 1 14 . 1 1 55 55 ASN H H 55 7.953 7.953 8.387 -0.434 19600 4505 1 14 . 1 1 56 56 ARG N N 56 124.991 124.991 119.934 5.057 19600 4506 1 14 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.102 -0.820 19600 4507 1 14 . 1 1 56 56 ARG CA C 56 56.848 56.848 58.044 -1.196 19600 4508 1 14 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.209 -2.537 19600 4509 1 14 . 1 1 56 56 ARG H H 56 8.263 8.263 8.249 0.014 19600 4510 1 14 . 1 1 57 57 ARG N N 57 120.173 120.173 119.961 0.212 19600 4511 1 14 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.566 0.223 19600 4512 1 14 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.407 2.772 19600 4513 1 14 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.339 2.186 19600 4514 1 14 . 1 1 57 57 ARG H H 57 8.343 8.343 7.620 0.723 19600 4515 1 14 . 1 1 58 58 ALA N N 58 121.602 121.602 119.694 1.908 19600 4516 1 14 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.439 -0.528 19600 4517 1 14 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.736 1.605 19600 4518 1 14 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.153 -1.377 19600 4519 1 14 . 1 1 58 58 ALA H H 58 7.179 7.179 8.077 -0.898 19600 4520 1 14 . 1 1 59 59 LYS N N 59 119.515 119.515 120.738 -1.223 19600 4521 1 14 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.991 -0.261 19600 4522 1 14 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.072 1.253 19600 4523 1 14 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.733 0.840 19600 4524 1 14 . 1 1 59 59 LYS H H 59 7.463 7.463 7.604 -0.141 19600 4525 1 14 . 1 1 60 60 TYR N N 60 120.152 120.152 118.729 1.423 19600 4526 1 14 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.034 0.126 19600 4527 1 14 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.128 0.886 19600 4528 1 14 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.553 1.257 19600 4529 1 14 . 1 1 60 60 TYR H H 60 7.874 7.874 7.897 -0.023 19600 4530 1 14 . 1 1 61 61 ARG N N 61 118.122 118.122 117.342 0.780 19600 4531 1 14 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.524 0.307 19600 4532 1 14 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.613 1.586 19600 4533 1 14 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.745 0.565 19600 4534 1 14 . 1 1 61 61 ARG H H 61 7.943 7.943 7.574 0.369 19600 4535 1 14 . 1 1 62 62 LEU N N 62 119.191 119.191 121.953 -2.762 19600 4536 1 14 . 1 1 62 62 LEU HA H 62 3.930 3.930 3.918 0.012 19600 4537 1 14 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.689 -0.568 19600 4538 1 14 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.923 0.186 19600 4539 1 14 . 1 1 62 62 LEU H H 62 7.407 7.407 7.775 -0.368 19600 4540 1 14 . 1 1 63 63 GLN N N 63 118.201 118.201 116.759 1.442 19600 4541 1 14 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.881 -0.008 19600 4542 1 14 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.738 -1.400 19600 4543 1 14 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.924 0.947 19600 4544 1 14 . 1 1 63 63 GLN H H 63 7.676 7.676 7.953 -0.277 19600 4545 1 14 . 1 1 64 64 GLU N N 64 120.152 120.152 118.715 1.437 19600 4546 1 14 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.954 -0.154 19600 4547 1 14 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.774 -1.271 19600 4548 1 14 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.361 0.826 19600 4549 1 14 . 1 1 64 64 GLU H H 64 7.808 7.808 7.524 0.284 19600 4550 1 14 . 1 1 65 65 LYS N N 65 120.364 120.364 117.724 2.640 19600 4551 1 14 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.076 -0.090 19600 4552 1 14 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.117 -1.246 19600 4553 1 14 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.402 0.071 19600 4554 1 14 . 1 1 65 65 LYS H H 65 7.695 7.695 7.518 0.177 19600 4555 1 14 . 1 1 66 66 GLN N N 66 120.265 120.265 118.290 1.975 19600 4556 1 14 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.104 -0.076 19600 4557 1 14 . 1 1 66 66 GLN CA C 66 55.796 55.796 58.179 -2.383 19600 4558 1 14 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.461 -0.162 19600 4559 1 14 . 1 1 66 66 GLN H H 66 7.906 7.906 7.691 0.215 19600 4560 1 14 . 1 1 67 67 LYS N N 67 124.357 124.357 119.239 5.118 19600 4561 1 14 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.684 -0.368 19600 4562 1 14 . 1 1 67 67 LYS CA C 67 54.596 54.596 53.655 0.941 19600 4563 1 14 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.371 0.086 19600 4564 1 14 . 1 1 67 67 LYS H H 67 7.963 7.963 7.578 0.385 19600 4565 1 15 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.396 -0.162 19600 4566 1 15 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.086 0.130 19600 4567 1 15 . 1 1 2 2 PRO CB C 2 32.566 32.566 29.911 2.655 19600 4568 1 15 . 1 1 3 3 ARG N N 3 122.101 122.101 118.585 3.516 19600 4569 1 15 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.331 -0.280 19600 4570 1 15 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.700 0.808 19600 4571 1 15 . 1 1 3 3 ARG CB C 3 30.742 30.742 31.896 -1.154 19600 4572 1 15 . 1 1 3 3 ARG H H 3 8.377 8.377 8.189 0.188 19600 4573 1 15 . 1 1 4 4 LYS N N 4 123.421 123.421 122.501 0.920 19600 4574 1 15 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.524 -0.504 19600 4575 1 15 . 1 1 4 4 LYS CA C 4 56.582 56.582 56.927 -0.345 19600 4576 1 15 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.422 -0.220 19600 4577 1 15 . 1 1 4 4 LYS H H 4 8.278 8.278 8.696 -0.418 19600 4578 1 15 . 1 1 5 5 ASN N N 5 120.133 120.133 115.817 4.316 19600 4579 1 15 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.894 -0.474 19600 4580 1 15 . 1 1 5 5 ASN CA C 5 53.372 53.372 54.115 -0.743 19600 4581 1 15 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.675 -0.779 19600 4582 1 15 . 1 1 5 5 ASN H H 5 8.318 8.318 8.806 -0.488 19600 4583 1 15 . 1 1 6 6 ARG N N 6 121.990 121.990 118.495 3.495 19600 4584 1 15 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.463 -0.424 19600 4585 1 15 . 1 1 6 6 ARG CA C 6 56.539 56.539 55.331 1.208 19600 4586 1 15 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.766 -0.037 19600 4587 1 15 . 1 1 6 6 ARG H H 6 8.185 8.185 7.973 0.212 19600 4588 1 15 . 1 1 7 7 ARG N N 7 122.520 122.520 119.467 3.053 19600 4589 1 15 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.098 -0.088 19600 4590 1 15 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.576 -0.103 19600 4591 1 15 . 1 1 7 7 ARG CB C 7 30.901 30.901 29.395 1.506 19600 4592 1 15 . 1 1 7 7 ARG H H 7 8.237 8.237 8.571 -0.334 19600 4593 1 15 . 1 1 8 8 GLU N N 8 121.543 121.543 120.552 0.991 19600 4594 1 15 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.223 -0.204 19600 4595 1 15 . 1 1 8 8 GLU CA C 8 56.546 56.546 54.242 2.304 19600 4596 1 15 . 1 1 8 8 GLU CB C 8 30.559 30.559 31.361 -0.802 19600 4597 1 15 . 1 1 8 8 GLU H H 8 7.971 7.971 8.104 -0.133 19600 4598 1 15 . 1 1 9 9 ARG N N 9 122.730 122.730 120.897 1.833 19600 4599 1 15 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.096 0.055 19600 4600 1 15 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.644 -2.249 19600 4601 1 15 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.344 0.609 19600 4602 1 15 . 1 1 9 9 ARG H H 9 8.290 8.290 8.642 -0.352 19600 4603 1 15 . 1 1 10 10 THR N N 10 116.410 116.410 106.321 10.089 19600 4604 1 15 . 1 1 10 10 THR HA H 10 4.073 4.073 4.323 -0.250 19600 4605 1 15 . 1 1 10 10 THR CA C 10 62.073 62.073 61.234 0.839 19600 4606 1 15 . 1 1 10 10 THR CB C 10 70.102 70.102 69.900 0.202 19600 4607 1 15 . 1 1 10 10 THR H H 10 8.132 8.132 7.284 0.848 19600 4608 1 15 . 1 1 11 11 THR N N 11 117.607 117.607 114.303 3.304 19600 4609 1 15 . 1 1 11 11 THR HA H 11 4.101 4.101 4.151 -0.050 19600 4610 1 15 . 1 1 11 11 THR CA C 11 61.581 61.581 64.129 -2.548 19600 4611 1 15 . 1 1 11 11 THR CB C 11 70.193 70.193 68.873 1.320 19600 4612 1 15 . 1 1 11 11 THR H H 11 7.868 7.868 8.284 -0.416 19600 4613 1 15 . 1 1 12 12 TYR N N 12 122.200 122.200 116.224 5.976 19600 4614 1 15 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.907 -0.309 19600 4615 1 15 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.612 1.489 19600 4616 1 15 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.633 0.884 19600 4617 1 15 . 1 1 12 12 TYR H H 12 8.053 8.053 6.931 1.122 19600 4618 1 15 . 1 1 13 13 SER N N 13 119.084 119.084 118.414 0.670 19600 4619 1 15 . 1 1 13 13 SER HA H 13 4.340 4.340 4.866 -0.526 19600 4620 1 15 . 1 1 13 13 SER CA C 13 56.906 56.906 56.744 0.162 19600 4621 1 15 . 1 1 13 13 SER CB C 13 65.860 65.860 65.556 0.304 19600 4622 1 15 . 1 1 13 13 SER H H 13 8.976 8.976 8.413 0.563 19600 4623 1 15 . 1 1 14 14 ARG N N 14 121.463 121.463 122.940 -1.477 19600 4624 1 15 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.314 -0.564 19600 4625 1 15 . 1 1 14 14 ARG CA C 14 59.978 59.978 57.783 2.195 19600 4626 1 15 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.199 -0.754 19600 4627 1 15 . 1 1 14 14 ARG H H 14 8.824 8.824 8.822 0.002 19600 4628 1 15 . 1 1 15 15 GLN N N 15 117.760 117.760 119.349 -1.589 19600 4629 1 15 . 1 1 15 15 GLN HA H 15 3.817 3.817 4.135 -0.318 19600 4630 1 15 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.305 0.301 19600 4631 1 15 . 1 1 15 15 GLN CB C 15 28.230 28.230 28.122 0.108 19600 4632 1 15 . 1 1 15 15 GLN H H 15 8.341 8.341 7.707 0.634 19600 4633 1 15 . 1 1 16 16 GLN N N 16 117.933 117.933 115.995 1.938 19600 4634 1 15 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.044 -0.542 19600 4635 1 15 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.327 1.206 19600 4636 1 15 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.327 0.103 19600 4637 1 15 . 1 1 16 16 GLN H H 16 7.487 7.487 8.375 -0.888 19600 4638 1 15 . 1 1 17 17 LEU N N 17 117.025 117.025 116.341 0.684 19600 4639 1 15 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.344 -0.972 19600 4640 1 15 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.630 2.131 19600 4641 1 15 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.045 -0.553 19600 4642 1 15 . 1 1 17 17 LEU H H 17 8.070 8.070 7.813 0.257 19600 4643 1 15 . 1 1 18 18 GLU N N 18 118.469 118.469 121.441 -2.972 19600 4644 1 15 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.135 -0.405 19600 4645 1 15 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.548 0.219 19600 4646 1 15 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.746 -0.195 19600 4647 1 15 . 1 1 18 18 GLU H H 18 7.857 7.857 7.965 -0.108 19600 4648 1 15 . 1 1 19 19 ILE N N 19 121.154 121.154 118.863 2.291 19600 4649 1 15 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.756 -0.336 19600 4650 1 15 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.851 -1.314 19600 4651 1 15 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.618 0.073 19600 4652 1 15 . 1 1 19 19 ILE H H 19 7.076 7.076 7.719 -0.643 19600 4653 1 15 . 1 1 20 20 LEU N N 20 122.911 122.911 117.617 5.294 19600 4654 1 15 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.592 -1.268 19600 4655 1 15 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.598 2.119 19600 4656 1 15 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.312 -1.750 19600 4657 1 15 . 1 1 20 20 LEU H H 20 7.600 7.600 7.368 0.232 19600 4658 1 15 . 1 1 21 21 GLU N N 21 118.448 118.448 119.845 -1.397 19600 4659 1 15 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.121 -0.109 19600 4660 1 15 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.476 -0.548 19600 4661 1 15 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.900 -0.759 19600 4662 1 15 . 1 1 21 21 GLU H H 21 8.354 8.354 8.070 0.284 19600 4663 1 15 . 1 1 22 22 THR N N 22 116.336 116.336 113.184 3.152 19600 4664 1 15 . 1 1 22 22 THR HA H 22 3.745 3.745 4.326 -0.581 19600 4665 1 15 . 1 1 22 22 THR CA C 22 67.433 67.433 65.921 1.512 19600 4666 1 15 . 1 1 22 22 THR CB C 22 68.490 68.490 69.538 -1.048 19600 4667 1 15 . 1 1 22 22 THR H H 22 7.703 7.703 8.512 -0.809 19600 4668 1 15 . 1 1 23 23 LEU N N 23 123.532 123.532 123.236 0.296 19600 4669 1 15 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.154 0.045 19600 4670 1 15 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.194 0.101 19600 4671 1 15 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.002 -1.165 19600 4672 1 15 . 1 1 23 23 LEU H H 23 7.501 7.501 7.676 -0.175 19600 4673 1 15 . 1 1 24 24 PHE N N 24 120.756 120.756 118.847 1.909 19600 4674 1 15 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.251 0.184 19600 4675 1 15 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.900 0.432 19600 4676 1 15 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.964 0.014 19600 4677 1 15 . 1 1 24 24 PHE H H 24 8.708 8.708 8.322 0.386 19600 4678 1 15 . 1 1 25 25 ASN N N 25 113.604 113.604 116.071 -2.467 19600 4679 1 15 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.371 -0.297 19600 4680 1 15 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.049 0.300 19600 4681 1 15 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.045 -0.245 19600 4682 1 15 . 1 1 25 25 ASN H H 25 7.827 7.827 7.838 -0.011 19600 4683 1 15 . 1 1 26 26 GLU N N 26 120.985 120.985 120.110 0.875 19600 4684 1 15 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.147 -0.176 19600 4685 1 15 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.405 0.096 19600 4686 1 15 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.342 -0.254 19600 4687 1 15 . 1 1 26 26 GLU H H 26 7.532 7.532 8.110 -0.578 19600 4688 1 15 . 1 1 27 27 THR N N 27 115.986 115.986 106.814 9.172 19600 4689 1 15 . 1 1 27 27 THR HA H 27 4.085 4.085 4.518 -0.433 19600 4690 1 15 . 1 1 27 27 THR CA C 27 59.365 59.365 61.657 -2.292 19600 4691 1 15 . 1 1 27 27 THR CB C 27 69.151 69.151 69.946 -0.795 19600 4692 1 15 . 1 1 27 27 THR H H 27 8.719 8.719 7.866 0.853 19600 4693 1 15 . 1 1 28 28 GLN N N 28 122.144 122.144 119.919 2.225 19600 4694 1 15 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.583 -0.929 19600 4695 1 15 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.576 1.644 19600 4696 1 15 . 1 1 28 28 GLN CB C 28 27.060 27.060 29.054 -1.994 19600 4697 1 15 . 1 1 28 28 GLN H H 28 7.963 7.963 8.744 -0.781 19600 4698 1 15 . 1 1 29 29 TYR N N 29 114.355 114.355 121.131 -6.776 19600 4699 1 15 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.827 -0.398 19600 4700 1 15 . 1 1 29 29 TYR CA C 29 55.457 55.457 54.254 1.203 19600 4701 1 15 . 1 1 29 29 TYR CB C 29 38.997 38.997 38.452 0.545 19600 4702 1 15 . 1 1 29 29 TYR H H 29 7.680 7.680 8.080 -0.400 19600 4703 1 15 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.373 -0.299 19600 4704 1 15 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.068 -0.665 19600 4705 1 15 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.928 0.758 19600 4706 1 15 . 1 1 31 31 ASP N N 31 123.957 123.957 122.043 1.914 19600 4707 1 15 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.820 -0.629 19600 4708 1 15 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.435 0.378 19600 4709 1 15 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.284 -3.197 19600 4710 1 15 . 1 1 31 31 ASP H H 31 8.496 8.496 7.869 0.627 19600 4711 1 15 . 1 1 32 32 VAL N N 32 117.950 117.950 118.878 -0.928 19600 4712 1 15 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.768 -0.570 19600 4713 1 15 . 1 1 32 32 VAL CA C 32 66.250 66.250 64.759 1.491 19600 4714 1 15 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.555 -0.062 19600 4715 1 15 . 1 1 32 32 VAL H H 32 8.162 8.162 8.400 -0.238 19600 4716 1 15 . 1 1 33 33 PHE N N 33 120.199 120.199 118.415 1.784 19600 4717 1 15 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.145 -0.109 19600 4718 1 15 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.323 -0.809 19600 4719 1 15 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.489 -0.556 19600 4720 1 15 . 1 1 33 33 PHE H H 33 6.841 6.841 8.212 -1.371 19600 4721 1 15 . 1 1 34 34 ALA N N 34 123.742 123.742 121.499 2.243 19600 4722 1 15 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.035 -0.153 19600 4723 1 15 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.089 1.053 19600 4724 1 15 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.378 -0.819 19600 4725 1 15 . 1 1 34 34 ALA H H 34 8.139 8.139 8.005 0.134 19600 4726 1 15 . 1 1 35 35 ARG N N 35 116.197 116.197 118.334 -2.137 19600 4727 1 15 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.790 -0.236 19600 4728 1 15 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.202 1.546 19600 4729 1 15 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.547 1.623 19600 4730 1 15 . 1 1 35 35 ARG H H 35 8.281 8.281 7.883 0.398 19600 4731 1 15 . 1 1 36 36 GLU N N 36 119.133 119.133 118.209 0.924 19600 4732 1 15 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.984 -0.287 19600 4733 1 15 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.775 0.935 19600 4734 1 15 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.439 0.011 19600 4735 1 15 . 1 1 36 36 GLU H H 36 8.382 8.382 8.339 0.043 19600 4736 1 15 . 1 1 37 37 ARG N N 37 119.597 119.597 118.829 0.768 19600 4737 1 15 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.182 -0.270 19600 4738 1 15 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.970 0.723 19600 4739 1 15 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.591 -0.588 19600 4740 1 15 . 1 1 37 37 ARG H H 37 7.707 7.707 7.579 0.128 19600 4741 1 15 . 1 1 38 38 VAL N N 38 119.099 119.099 118.288 0.811 19600 4742 1 15 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.691 0.084 19600 4743 1 15 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.710 0.109 19600 4744 1 15 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.797 0.846 19600 4745 1 15 . 1 1 38 38 VAL H H 38 7.630 7.630 8.040 -0.410 19600 4746 1 15 . 1 1 39 39 ALA N N 39 124.624 124.624 122.117 2.507 19600 4747 1 15 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.995 -0.304 19600 4748 1 15 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.012 1.402 19600 4749 1 15 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.184 0.066 19600 4750 1 15 . 1 1 39 39 ALA H H 39 8.196 8.196 7.921 0.275 19600 4751 1 15 . 1 1 40 40 ASP N N 40 115.786 115.786 115.402 0.384 19600 4752 1 15 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.624 -0.427 19600 4753 1 15 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.715 1.101 19600 4754 1 15 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.150 0.157 19600 4755 1 15 . 1 1 40 40 ASP H H 40 7.510 7.510 8.141 -0.631 19600 4756 1 15 . 1 1 41 41 GLN N N 41 118.952 118.952 118.067 0.885 19600 4757 1 15 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.228 -0.393 19600 4758 1 15 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.964 1.355 19600 4759 1 15 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.550 0.015 19600 4760 1 15 . 1 1 41 41 GLN H H 41 7.643 7.643 7.843 -0.200 19600 4761 1 15 . 1 1 42 42 ILE N N 42 108.381 108.381 111.913 -3.532 19600 4762 1 15 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.460 -0.068 19600 4763 1 15 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.078 -0.285 19600 4764 1 15 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.735 -0.293 19600 4765 1 15 . 1 1 42 42 ILE H H 42 8.076 8.076 7.563 0.513 19600 4766 1 15 . 1 1 43 43 ARG N N 43 119.055 119.055 118.124 0.931 19600 4767 1 15 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.057 -0.319 19600 4768 1 15 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.506 0.317 19600 4769 1 15 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.844 -1.778 19600 4770 1 15 . 1 1 43 43 ARG H H 43 7.588 7.588 7.495 0.093 19600 4771 1 15 . 1 1 44 44 LEU N N 44 119.135 119.135 119.016 0.119 19600 4772 1 15 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.694 -0.126 19600 4773 1 15 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.386 -0.390 19600 4774 1 15 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.445 2.155 19600 4775 1 15 . 1 1 44 44 LEU H H 44 7.648 7.648 8.426 -0.778 19600 4776 1 15 . 1 1 45 45 GLN N N 45 118.784 118.784 120.104 -1.320 19600 4777 1 15 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.270 -0.205 19600 4778 1 15 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.512 -0.185 19600 4779 1 15 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.406 0.396 19600 4780 1 15 . 1 1 45 45 GLN H H 45 8.107 8.107 8.429 -0.322 19600 4781 1 15 . 1 1 46 46 GLU N N 46 125.074 125.074 121.722 3.352 19600 4782 1 15 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.098 -0.555 19600 4783 1 15 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.141 2.022 19600 4784 1 15 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.359 -0.723 19600 4785 1 15 . 1 1 46 46 GLU H H 46 9.097 9.097 8.849 0.248 19600 4786 1 15 . 1 1 47 47 SER N N 47 113.706 113.706 113.401 0.305 19600 4787 1 15 . 1 1 47 47 SER HA H 47 3.828 3.828 4.275 -0.447 19600 4788 1 15 . 1 1 47 47 SER CA C 47 61.464 61.464 59.877 1.587 19600 4789 1 15 . 1 1 47 47 SER CB C 47 61.867 61.867 63.370 -1.503 19600 4790 1 15 . 1 1 47 47 SER H H 47 8.533 8.533 7.928 0.605 19600 4791 1 15 . 1 1 48 48 ARG N N 48 121.795 121.795 120.987 0.808 19600 4792 1 15 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.086 -0.038 19600 4793 1 15 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.519 -0.363 19600 4794 1 15 . 1 1 48 48 ARG CB C 48 29.475 29.475 30.187 -0.712 19600 4795 1 15 . 1 1 48 48 ARG H H 48 7.153 7.153 7.970 -0.817 19600 4796 1 15 . 1 1 49 49 ILE N N 49 121.647 121.647 120.746 0.901 19600 4797 1 15 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.871 -0.236 19600 4798 1 15 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.218 0.295 19600 4799 1 15 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.910 -1.087 19600 4800 1 15 . 1 1 49 49 ILE H H 49 7.613 7.613 7.847 -0.234 19600 4801 1 15 . 1 1 50 50 GLN N N 50 118.579 118.579 118.134 0.445 19600 4802 1 15 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.121 0.012 19600 4803 1 15 . 1 1 50 50 GLN CA C 50 60.473 60.473 58.600 1.873 19600 4804 1 15 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.537 0.495 19600 4805 1 15 . 1 1 50 50 GLN H H 50 8.051 8.051 7.800 0.251 19600 4806 1 15 . 1 1 51 51 VAL N N 51 120.580 120.580 113.924 6.656 19600 4807 1 15 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.888 -0.445 19600 4808 1 15 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.124 1.963 19600 4809 1 15 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.431 0.847 19600 4810 1 15 . 1 1 51 51 VAL H H 51 7.372 7.372 7.759 -0.387 19600 4811 1 15 . 1 1 52 52 TRP N N 52 121.485 121.485 119.705 1.780 19600 4812 1 15 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.550 -0.776 19600 4813 1 15 . 1 1 52 52 TRP CA C 52 63.502 63.502 58.055 5.447 19600 4814 1 15 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.700 -1.312 19600 4815 1 15 . 1 1 52 52 TRP H H 52 8.135 8.135 6.932 1.203 19600 4816 1 15 . 1 1 53 53 PHE N N 53 118.122 118.122 121.258 -3.136 19600 4817 1 15 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.191 -0.770 19600 4818 1 15 . 1 1 53 53 PHE CA C 53 63.987 63.987 59.888 4.099 19600 4819 1 15 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.974 0.378 19600 4820 1 15 . 1 1 53 53 PHE H H 53 8.764 8.764 8.408 0.356 19600 4821 1 15 . 1 1 54 54 LYS N N 54 120.838 120.838 118.229 2.609 19600 4822 1 15 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.853 -0.138 19600 4823 1 15 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.280 3.397 19600 4824 1 15 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.459 -0.268 19600 4825 1 15 . 1 1 54 54 LYS H H 54 7.947 7.947 7.634 0.313 19600 4826 1 15 . 1 1 55 55 ASN N N 55 118.986 118.986 119.697 -0.711 19600 4827 1 15 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.429 -0.308 19600 4828 1 15 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.659 -0.964 19600 4829 1 15 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.327 -0.587 19600 4830 1 15 . 1 1 55 55 ASN H H 55 7.953 7.953 8.504 -0.551 19600 4831 1 15 . 1 1 56 56 ARG N N 56 124.991 124.991 119.691 5.300 19600 4832 1 15 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.129 -0.847 19600 4833 1 15 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.884 -1.036 19600 4834 1 15 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.259 -2.587 19600 4835 1 15 . 1 1 56 56 ARG H H 56 8.263 8.263 8.147 0.116 19600 4836 1 15 . 1 1 57 57 ARG N N 57 120.173 120.173 119.905 0.268 19600 4837 1 15 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.484 0.305 19600 4838 1 15 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.304 2.875 19600 4839 1 15 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.263 2.262 19600 4840 1 15 . 1 1 57 57 ARG H H 57 8.343 8.343 7.646 0.697 19600 4841 1 15 . 1 1 58 58 ALA N N 58 121.602 121.602 119.708 1.894 19600 4842 1 15 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.438 -0.527 19600 4843 1 15 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.753 1.588 19600 4844 1 15 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.133 -1.357 19600 4845 1 15 . 1 1 58 58 ALA H H 58 7.179 7.179 8.085 -0.906 19600 4846 1 15 . 1 1 59 59 LYS N N 59 119.515 119.515 120.762 -1.247 19600 4847 1 15 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.993 -0.263 19600 4848 1 15 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.257 1.068 19600 4849 1 15 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.726 0.847 19600 4850 1 15 . 1 1 59 59 LYS H H 59 7.463 7.463 7.651 -0.188 19600 4851 1 15 . 1 1 60 60 TYR N N 60 120.152 120.152 118.688 1.464 19600 4852 1 15 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.095 0.065 19600 4853 1 15 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.967 1.047 19600 4854 1 15 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.380 1.430 19600 4855 1 15 . 1 1 60 60 TYR H H 60 7.874 7.874 7.792 0.082 19600 4856 1 15 . 1 1 61 61 ARG N N 61 118.122 118.122 118.320 -0.198 19600 4857 1 15 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.589 0.242 19600 4858 1 15 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.021 1.178 19600 4859 1 15 . 1 1 61 61 ARG CB C 61 30.310 30.310 30.182 0.128 19600 4860 1 15 . 1 1 61 61 ARG H H 61 7.943 7.943 7.462 0.481 19600 4861 1 15 . 1 1 62 62 LEU N N 62 119.191 119.191 120.284 -1.093 19600 4862 1 15 . 1 1 62 62 LEU HA H 62 3.930 3.930 3.989 -0.059 19600 4863 1 15 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.857 -0.736 19600 4864 1 15 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.564 0.545 19600 4865 1 15 . 1 1 62 62 LEU H H 62 7.407 7.407 7.534 -0.127 19600 4866 1 15 . 1 1 63 63 GLN N N 63 118.201 118.201 116.608 1.593 19600 4867 1 15 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.025 -0.152 19600 4868 1 15 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.451 -1.113 19600 4869 1 15 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.945 0.926 19600 4870 1 15 . 1 1 63 63 GLN H H 63 7.676 7.676 8.005 -0.329 19600 4871 1 15 . 1 1 64 64 GLU N N 64 120.152 120.152 119.557 0.595 19600 4872 1 15 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.016 -0.216 19600 4873 1 15 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.775 -1.272 19600 4874 1 15 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.406 0.781 19600 4875 1 15 . 1 1 64 64 GLU H H 64 7.808 7.808 7.605 0.203 19600 4876 1 15 . 1 1 65 65 LYS N N 65 120.364 120.364 114.374 5.990 19600 4877 1 15 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.338 -0.352 19600 4878 1 15 . 1 1 65 65 LYS CA C 65 56.871 56.871 56.592 0.279 19600 4879 1 15 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.961 -0.488 19600 4880 1 15 . 1 1 65 65 LYS H H 65 7.695 7.695 7.642 0.053 19600 4881 1 15 . 1 1 66 66 GLN N N 66 120.265 120.265 120.726 -0.461 19600 4882 1 15 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.266 -0.238 19600 4883 1 15 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.075 -1.280 19600 4884 1 15 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.580 -0.281 19600 4885 1 15 . 1 1 66 66 GLN H H 66 7.906 7.906 7.831 0.075 19600 4886 1 15 . 1 1 67 67 LYS N N 67 124.357 124.357 120.443 3.914 19600 4887 1 15 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.409 -0.093 19600 4888 1 15 . 1 1 67 67 LYS CA C 67 54.596 54.596 54.918 -0.322 19600 4889 1 15 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.336 0.121 19600 4890 1 15 . 1 1 67 67 LYS H H 67 7.963 7.963 7.809 0.154 19600 4891 1 16 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.826 -0.592 19600 4892 1 16 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.680 0.536 19600 4893 1 16 . 1 1 2 2 PRO CB C 2 32.566 32.566 32.337 0.230 19600 4894 1 16 . 1 1 3 3 ARG N N 3 122.101 122.101 124.804 -2.703 19600 4895 1 16 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.566 -0.515 19600 4896 1 16 . 1 1 3 3 ARG CA C 3 56.508 56.508 54.359 2.148 19600 4897 1 16 . 1 1 3 3 ARG CB C 3 30.742 30.742 33.592 -2.850 19600 4898 1 16 . 1 1 3 3 ARG H H 3 8.377 8.377 9.114 -0.737 19600 4899 1 16 . 1 1 4 4 LYS N N 4 123.421 123.421 117.684 5.737 19600 4900 1 16 . 1 1 4 4 LYS HA H 4 4.020 4.020 3.930 0.090 19600 4901 1 16 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.134 -0.552 19600 4902 1 16 . 1 1 4 4 LYS CB C 4 33.202 33.202 30.687 2.515 19600 4903 1 16 . 1 1 4 4 LYS H H 4 8.278 8.278 8.595 -0.317 19600 4904 1 16 . 1 1 5 5 ASN N N 5 120.133 120.133 115.286 4.847 19600 4905 1 16 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.559 -0.139 19600 4906 1 16 . 1 1 5 5 ASN CA C 5 53.372 53.372 52.196 1.176 19600 4907 1 16 . 1 1 5 5 ASN CB C 5 38.896 38.896 38.749 0.147 19600 4908 1 16 . 1 1 5 5 ASN H H 5 8.318 8.318 7.656 0.662 19600 4909 1 16 . 1 1 6 6 ARG N N 6 121.990 121.990 118.643 3.347 19600 4910 1 16 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.556 -0.517 19600 4911 1 16 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.477 0.062 19600 4912 1 16 . 1 1 6 6 ARG CB C 6 30.729 30.729 31.671 -0.942 19600 4913 1 16 . 1 1 6 6 ARG H H 6 8.185 8.185 8.102 0.083 19600 4914 1 16 . 1 1 7 7 ARG N N 7 122.520 122.520 119.918 2.602 19600 4915 1 16 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.747 -0.737 19600 4916 1 16 . 1 1 7 7 ARG CA C 7 56.473 56.473 55.070 1.403 19600 4917 1 16 . 1 1 7 7 ARG CB C 7 30.901 30.901 33.411 -2.510 19600 4918 1 16 . 1 1 7 7 ARG H H 7 8.237 8.237 8.025 0.212 19600 4919 1 16 . 1 1 8 8 GLU N N 8 121.543 121.543 119.121 2.422 19600 4920 1 16 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.631 -0.612 19600 4921 1 16 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.308 1.238 19600 4922 1 16 . 1 1 8 8 GLU CB C 8 30.559 30.559 32.603 -2.044 19600 4923 1 16 . 1 1 8 8 GLU H H 8 7.971 7.971 8.554 -0.583 19600 4924 1 16 . 1 1 9 9 ARG N N 9 122.730 122.730 120.995 1.735 19600 4925 1 16 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.047 0.104 19600 4926 1 16 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.429 -2.034 19600 4927 1 16 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.332 0.621 19600 4928 1 16 . 1 1 9 9 ARG H H 9 8.290 8.290 8.695 -0.405 19600 4929 1 16 . 1 1 10 10 THR N N 10 116.410 116.410 108.602 7.808 19600 4930 1 16 . 1 1 10 10 THR HA H 10 4.073 4.073 4.413 -0.340 19600 4931 1 16 . 1 1 10 10 THR CA C 10 62.073 62.073 61.303 0.770 19600 4932 1 16 . 1 1 10 10 THR CB C 10 70.102 70.102 69.112 0.990 19600 4933 1 16 . 1 1 10 10 THR H H 10 8.132 8.132 7.362 0.770 19600 4934 1 16 . 1 1 11 11 THR N N 11 117.607 117.607 114.137 3.470 19600 4935 1 16 . 1 1 11 11 THR HA H 11 4.101 4.101 4.002 0.099 19600 4936 1 16 . 1 1 11 11 THR CA C 11 61.581 61.581 64.415 -2.834 19600 4937 1 16 . 1 1 11 11 THR CB C 11 70.193 70.193 69.029 1.164 19600 4938 1 16 . 1 1 11 11 THR H H 11 7.868 7.868 8.368 -0.500 19600 4939 1 16 . 1 1 12 12 TYR N N 12 122.200 122.200 119.631 2.569 19600 4940 1 16 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.620 -0.022 19600 4941 1 16 . 1 1 12 12 TYR CA C 12 57.101 57.101 58.042 -0.941 19600 4942 1 16 . 1 1 12 12 TYR CB C 12 40.517 40.517 40.382 0.135 19600 4943 1 16 . 1 1 12 12 TYR H H 12 8.053 8.053 7.527 0.526 19600 4944 1 16 . 1 1 13 13 SER N N 13 119.084 119.084 118.377 0.707 19600 4945 1 16 . 1 1 13 13 SER HA H 13 4.340 4.340 5.034 -0.694 19600 4946 1 16 . 1 1 13 13 SER CA C 13 56.906 56.906 56.597 0.309 19600 4947 1 16 . 1 1 13 13 SER CB C 13 65.860 65.860 64.769 1.091 19600 4948 1 16 . 1 1 13 13 SER H H 13 8.976 8.976 8.833 0.143 19600 4949 1 16 . 1 1 14 14 ARG N N 14 121.463 121.463 122.442 -0.979 19600 4950 1 16 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.368 -0.618 19600 4951 1 16 . 1 1 14 14 ARG CA C 14 59.978 59.978 57.754 2.224 19600 4952 1 16 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.179 -0.734 19600 4953 1 16 . 1 1 14 14 ARG H H 14 8.824 8.824 8.894 -0.070 19600 4954 1 16 . 1 1 15 15 GLN N N 15 117.760 117.760 119.205 -1.445 19600 4955 1 16 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.869 -0.052 19600 4956 1 16 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.589 0.017 19600 4957 1 16 . 1 1 15 15 GLN CB C 15 28.230 28.230 28.167 0.063 19600 4958 1 16 . 1 1 15 15 GLN H H 15 8.341 8.341 7.710 0.631 19600 4959 1 16 . 1 1 16 16 GLN N N 16 117.933 117.933 116.339 1.594 19600 4960 1 16 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.025 -0.523 19600 4961 1 16 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.324 1.210 19600 4962 1 16 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.309 0.121 19600 4963 1 16 . 1 1 16 16 GLN H H 16 7.487 7.487 8.364 -0.877 19600 4964 1 16 . 1 1 17 17 LEU N N 17 117.025 117.025 116.113 0.912 19600 4965 1 16 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.354 -0.982 19600 4966 1 16 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.959 1.802 19600 4967 1 16 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.946 -0.454 19600 4968 1 16 . 1 1 17 17 LEU H H 17 8.070 8.070 7.829 0.241 19600 4969 1 16 . 1 1 18 18 GLU N N 18 118.469 118.469 121.249 -2.780 19600 4970 1 16 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.161 -0.431 19600 4971 1 16 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.322 0.445 19600 4972 1 16 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.498 0.052 19600 4973 1 16 . 1 1 18 18 GLU H H 18 7.857 7.857 7.981 -0.124 19600 4974 1 16 . 1 1 19 19 ILE N N 19 121.154 121.154 118.897 2.257 19600 4975 1 16 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.744 -0.324 19600 4976 1 16 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.806 -1.269 19600 4977 1 16 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.570 0.121 19600 4978 1 16 . 1 1 19 19 ILE H H 19 7.076 7.076 7.694 -0.618 19600 4979 1 16 . 1 1 20 20 LEU N N 20 122.911 122.911 117.257 5.654 19600 4980 1 16 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.553 -1.229 19600 4981 1 16 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.788 1.929 19600 4982 1 16 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.169 -1.607 19600 4983 1 16 . 1 1 20 20 LEU H H 20 7.600 7.600 7.317 0.283 19600 4984 1 16 . 1 1 21 21 GLU N N 21 118.448 118.448 120.271 -1.823 19600 4985 1 16 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.147 -0.135 19600 4986 1 16 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.471 -0.543 19600 4987 1 16 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.692 -0.551 19600 4988 1 16 . 1 1 21 21 GLU H H 21 8.354 8.354 8.005 0.349 19600 4989 1 16 . 1 1 22 22 THR N N 22 116.336 116.336 113.187 3.149 19600 4990 1 16 . 1 1 22 22 THR HA H 22 3.745 3.745 4.275 -0.530 19600 4991 1 16 . 1 1 22 22 THR CA C 22 67.433 67.433 66.239 1.194 19600 4992 1 16 . 1 1 22 22 THR CB C 22 68.490 68.490 69.410 -0.920 19600 4993 1 16 . 1 1 22 22 THR H H 22 7.703 7.703 8.461 -0.758 19600 4994 1 16 . 1 1 23 23 LEU N N 23 123.532 123.532 123.154 0.378 19600 4995 1 16 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.261 -0.062 19600 4996 1 16 . 1 1 23 23 LEU CA C 23 58.295 58.295 57.673 0.622 19600 4997 1 16 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.265 -1.428 19600 4998 1 16 . 1 1 23 23 LEU H H 23 7.501 7.501 7.718 -0.217 19600 4999 1 16 . 1 1 24 24 PHE N N 24 120.756 120.756 118.887 1.869 19600 5000 1 16 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.258 0.177 19600 5001 1 16 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.682 0.650 19600 5002 1 16 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.817 0.161 19600 5003 1 16 . 1 1 24 24 PHE H H 24 8.708 8.708 8.310 0.398 19600 5004 1 16 . 1 1 25 25 ASN N N 25 113.604 113.604 116.085 -2.481 19600 5005 1 16 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.259 -0.185 19600 5006 1 16 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.747 0.602 19600 5007 1 16 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.148 -0.348 19600 5008 1 16 . 1 1 25 25 ASN H H 25 7.827 7.827 7.806 0.021 19600 5009 1 16 . 1 1 26 26 GLU N N 26 120.985 120.985 119.432 1.553 19600 5010 1 16 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.091 -0.120 19600 5011 1 16 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.650 -0.149 19600 5012 1 16 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.425 -0.337 19600 5013 1 16 . 1 1 26 26 GLU H H 26 7.532 7.532 7.872 -0.340 19600 5014 1 16 . 1 1 27 27 THR N N 27 115.986 115.986 107.781 8.205 19600 5015 1 16 . 1 1 27 27 THR HA H 27 4.085 4.085 4.257 -0.172 19600 5016 1 16 . 1 1 27 27 THR CA C 27 59.365 59.365 61.802 -2.437 19600 5017 1 16 . 1 1 27 27 THR CB C 27 69.151 69.151 69.256 -0.105 19600 5018 1 16 . 1 1 27 27 THR H H 27 8.719 8.719 7.882 0.837 19600 5019 1 16 . 1 1 28 28 GLN N N 28 122.144 122.144 121.132 1.012 19600 5020 1 16 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.479 -0.825 19600 5021 1 16 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.033 2.187 19600 5022 1 16 . 1 1 28 28 GLN CB C 28 27.060 27.060 29.218 -2.158 19600 5023 1 16 . 1 1 28 28 GLN H H 28 7.963 7.963 7.950 0.013 19600 5024 1 16 . 1 1 29 29 TYR N N 29 114.355 114.355 119.212 -4.857 19600 5025 1 16 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.910 -0.481 19600 5026 1 16 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.563 1.894 19600 5027 1 16 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.513 1.484 19600 5028 1 16 . 1 1 29 29 TYR H H 29 7.680 7.680 7.862 -0.182 19600 5029 1 16 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.372 -0.298 19600 5030 1 16 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.180 -0.777 19600 5031 1 16 . 1 1 30 30 PRO CB C 30 31.686 31.686 31.058 0.628 19600 5032 1 16 . 1 1 31 31 ASP N N 31 123.957 123.957 122.580 1.377 19600 5033 1 16 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.816 -0.625 19600 5034 1 16 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.724 0.089 19600 5035 1 16 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.269 -3.182 19600 5036 1 16 . 1 1 31 31 ASP H H 31 8.496 8.496 7.900 0.596 19600 5037 1 16 . 1 1 32 32 VAL N N 32 117.950 117.950 119.984 -2.034 19600 5038 1 16 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.713 -0.515 19600 5039 1 16 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.403 -0.154 19600 5040 1 16 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.635 -0.142 19600 5041 1 16 . 1 1 32 32 VAL H H 32 8.162 8.162 8.385 -0.223 19600 5042 1 16 . 1 1 33 33 PHE N N 33 120.199 120.199 119.179 1.020 19600 5043 1 16 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.227 -0.191 19600 5044 1 16 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.241 -0.727 19600 5045 1 16 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.584 -0.651 19600 5046 1 16 . 1 1 33 33 PHE H H 33 6.841 6.841 8.507 -1.666 19600 5047 1 16 . 1 1 34 34 ALA N N 34 123.742 123.742 120.876 2.866 19600 5048 1 16 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.131 -0.249 19600 5049 1 16 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.063 1.079 19600 5050 1 16 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.137 -0.578 19600 5051 1 16 . 1 1 34 34 ALA H H 34 8.139 8.139 7.921 0.218 19600 5052 1 16 . 1 1 35 35 ARG N N 35 116.197 116.197 118.574 -2.377 19600 5053 1 16 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.839 -0.285 19600 5054 1 16 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.210 1.537 19600 5055 1 16 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.567 1.603 19600 5056 1 16 . 1 1 35 35 ARG H H 35 8.281 8.281 7.859 0.422 19600 5057 1 16 . 1 1 36 36 GLU N N 36 119.133 119.133 118.265 0.868 19600 5058 1 16 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.977 -0.280 19600 5059 1 16 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.773 0.937 19600 5060 1 16 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.428 0.022 19600 5061 1 16 . 1 1 36 36 GLU H H 36 8.382 8.382 8.381 0.001 19600 5062 1 16 . 1 1 37 37 ARG N N 37 119.597 119.597 118.697 0.900 19600 5063 1 16 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.159 -0.247 19600 5064 1 16 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.801 0.892 19600 5065 1 16 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.796 -0.793 19600 5066 1 16 . 1 1 37 37 ARG H H 37 7.707 7.707 7.556 0.151 19600 5067 1 16 . 1 1 38 38 VAL N N 38 119.099 119.099 118.143 0.956 19600 5068 1 16 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.726 0.049 19600 5069 1 16 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.420 0.399 19600 5070 1 16 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.447 1.196 19600 5071 1 16 . 1 1 38 38 VAL H H 38 7.630 7.630 8.042 -0.412 19600 5072 1 16 . 1 1 39 39 ALA N N 39 124.624 124.624 123.056 1.568 19600 5073 1 16 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.920 -0.229 19600 5074 1 16 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.083 1.331 19600 5075 1 16 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.291 -0.041 19600 5076 1 16 . 1 1 39 39 ALA H H 39 8.196 8.196 8.064 0.132 19600 5077 1 16 . 1 1 40 40 ASP N N 40 115.786 115.786 116.324 -0.538 19600 5078 1 16 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.563 -0.366 19600 5079 1 16 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.898 0.917 19600 5080 1 16 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.035 0.272 19600 5081 1 16 . 1 1 40 40 ASP H H 40 7.510 7.510 8.113 -0.603 19600 5082 1 16 . 1 1 41 41 GLN N N 41 118.952 118.952 118.505 0.447 19600 5083 1 16 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.172 -0.337 19600 5084 1 16 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.781 1.538 19600 5085 1 16 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.324 0.241 19600 5086 1 16 . 1 1 41 41 GLN H H 41 7.643 7.643 7.838 -0.195 19600 5087 1 16 . 1 1 42 42 ILE N N 42 108.381 108.381 111.342 -2.961 19600 5088 1 16 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.420 -0.028 19600 5089 1 16 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.221 -0.429 19600 5090 1 16 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.774 -0.332 19600 5091 1 16 . 1 1 42 42 ILE H H 42 8.076 8.076 7.517 0.559 19600 5092 1 16 . 1 1 43 43 ARG N N 43 119.055 119.055 119.520 -0.465 19600 5093 1 16 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.061 -0.323 19600 5094 1 16 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.387 0.436 19600 5095 1 16 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.874 -1.808 19600 5096 1 16 . 1 1 43 43 ARG H H 43 7.588 7.588 7.674 -0.086 19600 5097 1 16 . 1 1 44 44 LEU N N 44 119.135 119.135 119.014 0.121 19600 5098 1 16 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.611 -0.043 19600 5099 1 16 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.353 -0.357 19600 5100 1 16 . 1 1 44 44 LEU CB C 44 47.600 47.600 44.682 2.918 19600 5101 1 16 . 1 1 44 44 LEU H H 44 7.648 7.648 8.337 -0.689 19600 5102 1 16 . 1 1 45 45 GLN N N 45 118.784 118.784 120.078 -1.294 19600 5103 1 16 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.286 -0.221 19600 5104 1 16 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.353 -0.027 19600 5105 1 16 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.550 0.252 19600 5106 1 16 . 1 1 45 45 GLN H H 45 8.107 8.107 8.403 -0.296 19600 5107 1 16 . 1 1 46 46 GLU N N 46 125.074 125.074 124.551 0.523 19600 5108 1 16 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.044 -0.501 19600 5109 1 16 . 1 1 46 46 GLU CA C 46 61.163 61.163 58.965 2.197 19600 5110 1 16 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.363 -0.727 19600 5111 1 16 . 1 1 46 46 GLU H H 46 9.097 9.097 8.867 0.230 19600 5112 1 16 . 1 1 47 47 SER N N 47 113.706 113.706 114.691 -0.985 19600 5113 1 16 . 1 1 47 47 SER HA H 47 3.828 3.828 4.332 -0.504 19600 5114 1 16 . 1 1 47 47 SER CA C 47 61.464 61.464 59.770 1.694 19600 5115 1 16 . 1 1 47 47 SER CB C 47 61.867 61.867 63.341 -1.474 19600 5116 1 16 . 1 1 47 47 SER H H 47 8.533 8.533 7.956 0.577 19600 5117 1 16 . 1 1 48 48 ARG N N 48 121.795 121.795 122.112 -0.317 19600 5118 1 16 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.288 -0.240 19600 5119 1 16 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.035 0.121 19600 5120 1 16 . 1 1 48 48 ARG CB C 48 29.475 29.475 30.011 -0.536 19600 5121 1 16 . 1 1 48 48 ARG H H 48 7.153 7.153 7.929 -0.776 19600 5122 1 16 . 1 1 49 49 ILE N N 49 121.647 121.647 121.385 0.262 19600 5123 1 16 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.902 -0.267 19600 5124 1 16 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.252 0.261 19600 5125 1 16 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.727 -0.904 19600 5126 1 16 . 1 1 49 49 ILE H H 49 7.613 7.613 8.267 -0.654 19600 5127 1 16 . 1 1 50 50 GLN N N 50 118.579 118.579 118.714 -0.135 19600 5128 1 16 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.155 -0.022 19600 5129 1 16 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.302 1.171 19600 5130 1 16 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.293 0.739 19600 5131 1 16 . 1 1 50 50 GLN H H 50 8.051 8.051 8.256 -0.205 19600 5132 1 16 . 1 1 51 51 VAL N N 51 120.580 120.580 115.506 5.074 19600 5133 1 16 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.947 -0.504 19600 5134 1 16 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.709 1.378 19600 5135 1 16 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.024 1.254 19600 5136 1 16 . 1 1 51 51 VAL H H 51 7.372 7.372 7.803 -0.431 19600 5137 1 16 . 1 1 52 52 TRP N N 52 121.485 121.485 121.333 0.152 19600 5138 1 16 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.823 -1.049 19600 5139 1 16 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.773 3.729 19600 5140 1 16 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.572 -1.184 19600 5141 1 16 . 1 1 52 52 TRP H H 52 8.135 8.135 7.380 0.755 19600 5142 1 16 . 1 1 53 53 PHE N N 53 118.122 118.122 121.125 -3.003 19600 5143 1 16 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.201 -0.780 19600 5144 1 16 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.335 3.652 19600 5145 1 16 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.750 0.602 19600 5146 1 16 . 1 1 53 53 PHE H H 53 8.764 8.764 8.496 0.268 19600 5147 1 16 . 1 1 54 54 LYS N N 54 120.838 120.838 118.397 2.441 19600 5148 1 16 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.823 -0.108 19600 5149 1 16 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.394 3.283 19600 5150 1 16 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.400 -0.209 19600 5151 1 16 . 1 1 54 54 LYS H H 54 7.947 7.947 7.536 0.411 19600 5152 1 16 . 1 1 55 55 ASN N N 55 118.986 118.986 119.781 -0.795 19600 5153 1 16 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.503 -0.382 19600 5154 1 16 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.472 -0.777 19600 5155 1 16 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.351 -0.611 19600 5156 1 16 . 1 1 55 55 ASN H H 55 7.953 7.953 8.336 -0.383 19600 5157 1 16 . 1 1 56 56 ARG N N 56 124.991 124.991 119.272 5.719 19600 5158 1 16 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.132 -0.850 19600 5159 1 16 . 1 1 56 56 ARG CA C 56 56.848 56.848 58.009 -1.161 19600 5160 1 16 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.239 -2.567 19600 5161 1 16 . 1 1 56 56 ARG H H 56 8.263 8.263 8.242 0.021 19600 5162 1 16 . 1 1 57 57 ARG N N 57 120.173 120.173 120.090 0.083 19600 5163 1 16 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.400 0.389 19600 5164 1 16 . 1 1 57 57 ARG CA C 57 61.179 61.179 57.988 3.191 19600 5165 1 16 . 1 1 57 57 ARG CB C 57 31.525 31.525 28.922 2.603 19600 5166 1 16 . 1 1 57 57 ARG H H 57 8.343 8.343 7.630 0.713 19600 5167 1 16 . 1 1 58 58 ALA N N 58 121.602 121.602 119.209 2.393 19600 5168 1 16 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.463 -0.552 19600 5169 1 16 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.688 1.653 19600 5170 1 16 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.156 -1.380 19600 5171 1 16 . 1 1 58 58 ALA H H 58 7.179 7.179 8.066 -0.887 19600 5172 1 16 . 1 1 59 59 LYS N N 59 119.515 119.515 120.847 -1.332 19600 5173 1 16 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.995 -0.265 19600 5174 1 16 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.398 0.927 19600 5175 1 16 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.822 0.752 19600 5176 1 16 . 1 1 59 59 LYS H H 59 7.463 7.463 7.663 -0.200 19600 5177 1 16 . 1 1 60 60 TYR N N 60 120.152 120.152 118.789 1.363 19600 5178 1 16 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.095 0.065 19600 5179 1 16 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.016 0.998 19600 5180 1 16 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.535 1.275 19600 5181 1 16 . 1 1 60 60 TYR H H 60 7.874 7.874 7.887 -0.013 19600 5182 1 16 . 1 1 61 61 ARG N N 61 118.122 118.122 117.325 0.797 19600 5183 1 16 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.562 0.269 19600 5184 1 16 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.681 1.518 19600 5185 1 16 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.758 0.552 19600 5186 1 16 . 1 1 61 61 ARG H H 61 7.943 7.943 7.593 0.350 19600 5187 1 16 . 1 1 62 62 LEU N N 62 119.191 119.191 121.343 -2.152 19600 5188 1 16 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.115 -0.185 19600 5189 1 16 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.513 -0.392 19600 5190 1 16 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.765 0.344 19600 5191 1 16 . 1 1 62 62 LEU H H 62 7.407 7.407 7.811 -0.404 19600 5192 1 16 . 1 1 63 63 GLN N N 63 118.201 118.201 117.106 1.095 19600 5193 1 16 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.007 -0.134 19600 5194 1 16 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.436 -1.098 19600 5195 1 16 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.943 0.928 19600 5196 1 16 . 1 1 63 63 GLN H H 63 7.676 7.676 8.182 -0.506 19600 5197 1 16 . 1 1 64 64 GLU N N 64 120.152 120.152 120.927 -0.775 19600 5198 1 16 . 1 1 64 64 GLU HA H 64 3.800 3.800 4.037 -0.237 19600 5199 1 16 . 1 1 64 64 GLU CA C 64 57.503 57.503 58.928 -1.425 19600 5200 1 16 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.524 0.663 19600 5201 1 16 . 1 1 64 64 GLU H H 64 7.808 7.808 7.899 -0.091 19600 5202 1 16 . 1 1 65 65 LYS N N 65 120.364 120.364 114.832 5.532 19600 5203 1 16 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.410 -0.424 19600 5204 1 16 . 1 1 65 65 LYS CA C 65 56.871 56.871 56.665 0.206 19600 5205 1 16 . 1 1 65 65 LYS CB C 65 32.473 32.473 33.035 -0.562 19600 5206 1 16 . 1 1 65 65 LYS H H 65 7.695 7.695 7.402 0.293 19600 5207 1 16 . 1 1 66 66 GLN N N 66 120.265 120.265 119.992 0.273 19600 5208 1 16 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.088 -0.061 19600 5209 1 16 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.862 -2.066 19600 5210 1 16 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.085 0.214 19600 5211 1 16 . 1 1 66 66 GLN H H 66 7.906 7.906 7.664 0.242 19600 5212 1 16 . 1 1 67 67 LYS N N 67 124.357 124.357 119.345 5.012 19600 5213 1 16 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.223 0.093 19600 5214 1 16 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.661 -1.065 19600 5215 1 16 . 1 1 67 67 LYS CB C 67 32.457 32.457 31.758 0.699 19600 5216 1 16 . 1 1 67 67 LYS H H 67 7.963 7.963 7.691 0.273 19600 5217 1 17 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.753 -0.519 19600 5218 1 17 . 1 1 2 2 PRO CA C 2 63.216 63.216 63.041 0.175 19600 5219 1 17 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.011 2.555 19600 5220 1 17 . 1 1 3 3 ARG N N 3 122.101 122.101 119.399 2.702 19600 5221 1 17 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.870 -0.819 19600 5222 1 17 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.355 0.153 19600 5223 1 17 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.120 -1.378 19600 5224 1 17 . 1 1 3 3 ARG H H 3 8.377 8.377 8.078 0.299 19600 5225 1 17 . 1 1 4 4 LYS N N 4 123.421 123.421 118.970 4.451 19600 5226 1 17 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.193 -0.173 19600 5227 1 17 . 1 1 4 4 LYS CA C 4 56.582 56.582 56.865 -0.283 19600 5228 1 17 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.348 -0.146 19600 5229 1 17 . 1 1 4 4 LYS H H 4 8.278 8.278 8.116 0.162 19600 5230 1 17 . 1 1 5 5 ASN N N 5 120.133 120.133 116.654 3.479 19600 5231 1 17 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.728 -0.308 19600 5232 1 17 . 1 1 5 5 ASN CA C 5 53.372 53.372 52.117 1.255 19600 5233 1 17 . 1 1 5 5 ASN CB C 5 38.896 38.896 38.818 0.078 19600 5234 1 17 . 1 1 5 5 ASN H H 5 8.318 8.318 7.032 1.286 19600 5235 1 17 . 1 1 6 6 ARG N N 6 121.990 121.990 119.307 2.683 19600 5236 1 17 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.166 -0.127 19600 5237 1 17 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.983 -0.445 19600 5238 1 17 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.362 0.367 19600 5239 1 17 . 1 1 6 6 ARG H H 6 8.185 8.185 8.570 -0.385 19600 5240 1 17 . 1 1 7 7 ARG N N 7 122.520 122.520 122.018 0.502 19600 5241 1 17 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.373 -0.363 19600 5242 1 17 . 1 1 7 7 ARG CA C 7 56.473 56.473 58.116 -1.643 19600 5243 1 17 . 1 1 7 7 ARG CB C 7 30.901 30.901 30.645 0.256 19600 5244 1 17 . 1 1 7 7 ARG H H 7 8.237 8.237 8.774 -0.537 19600 5245 1 17 . 1 1 8 8 GLU N N 8 121.543 121.543 120.161 1.382 19600 5246 1 17 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.355 -0.336 19600 5247 1 17 . 1 1 8 8 GLU CA C 8 56.546 56.546 57.194 -0.648 19600 5248 1 17 . 1 1 8 8 GLU CB C 8 30.559 30.559 29.866 0.693 19600 5249 1 17 . 1 1 8 8 GLU H H 8 7.971 7.971 8.873 -0.902 19600 5250 1 17 . 1 1 9 9 ARG N N 9 122.730 122.730 120.004 2.726 19600 5251 1 17 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.182 -0.031 19600 5252 1 17 . 1 1 9 9 ARG CA C 9 56.395 56.395 57.889 -1.494 19600 5253 1 17 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.263 0.690 19600 5254 1 17 . 1 1 9 9 ARG H H 9 8.290 8.290 8.235 0.055 19600 5255 1 17 . 1 1 10 10 THR N N 10 116.410 116.410 107.271 9.139 19600 5256 1 17 . 1 1 10 10 THR HA H 10 4.073 4.073 4.382 -0.309 19600 5257 1 17 . 1 1 10 10 THR CA C 10 62.073 62.073 60.897 1.176 19600 5258 1 17 . 1 1 10 10 THR CB C 10 70.102 70.102 69.052 1.050 19600 5259 1 17 . 1 1 10 10 THR H H 10 8.132 8.132 7.367 0.765 19600 5260 1 17 . 1 1 11 11 THR N N 11 117.607 117.607 112.359 5.248 19600 5261 1 17 . 1 1 11 11 THR HA H 11 4.101 4.101 4.146 -0.045 19600 5262 1 17 . 1 1 11 11 THR CA C 11 61.581 61.581 64.229 -2.648 19600 5263 1 17 . 1 1 11 11 THR CB C 11 70.193 70.193 69.067 1.126 19600 5264 1 17 . 1 1 11 11 THR H H 11 7.868 7.868 8.347 -0.479 19600 5265 1 17 . 1 1 12 12 TYR N N 12 122.200 122.200 115.031 7.169 19600 5266 1 17 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.931 -0.333 19600 5267 1 17 . 1 1 12 12 TYR CA C 12 57.101 57.101 55.934 1.167 19600 5268 1 17 . 1 1 12 12 TYR CB C 12 40.517 40.517 40.042 0.475 19600 5269 1 17 . 1 1 12 12 TYR H H 12 8.053 8.053 7.108 0.945 19600 5270 1 17 . 1 1 13 13 SER N N 13 119.084 119.084 117.009 2.075 19600 5271 1 17 . 1 1 13 13 SER HA H 13 4.340 4.340 4.861 -0.521 19600 5272 1 17 . 1 1 13 13 SER CA C 13 56.906 56.906 55.671 1.235 19600 5273 1 17 . 1 1 13 13 SER CB C 13 65.860 65.860 65.436 0.423 19600 5274 1 17 . 1 1 13 13 SER H H 13 8.976 8.976 8.227 0.749 19600 5275 1 17 . 1 1 14 14 ARG N N 14 121.463 121.463 120.173 1.290 19600 5276 1 17 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.251 -0.501 19600 5277 1 17 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.513 1.465 19600 5278 1 17 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.092 -0.647 19600 5279 1 17 . 1 1 14 14 ARG H H 14 8.824 8.824 8.875 -0.051 19600 5280 1 17 . 1 1 15 15 GLN N N 15 117.760 117.760 119.174 -1.414 19600 5281 1 17 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.884 -0.067 19600 5282 1 17 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.248 0.358 19600 5283 1 17 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.707 0.522 19600 5284 1 17 . 1 1 15 15 GLN H H 15 8.341 8.341 7.713 0.628 19600 5285 1 17 . 1 1 16 16 GLN N N 16 117.933 117.933 116.742 1.191 19600 5286 1 17 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.890 -0.388 19600 5287 1 17 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.671 0.862 19600 5288 1 17 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.813 0.617 19600 5289 1 17 . 1 1 16 16 GLN H H 16 7.487 7.487 8.301 -0.814 19600 5290 1 17 . 1 1 17 17 LEU N N 17 117.025 117.025 116.059 0.966 19600 5291 1 17 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.593 -1.221 19600 5292 1 17 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.842 1.919 19600 5293 1 17 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.055 -0.563 19600 5294 1 17 . 1 1 17 17 LEU H H 17 8.070 8.070 7.516 0.554 19600 5295 1 17 . 1 1 18 18 GLU N N 18 118.469 118.469 121.361 -2.892 19600 5296 1 17 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.143 -0.413 19600 5297 1 17 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.578 0.189 19600 5298 1 17 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.581 -0.030 19600 5299 1 17 . 1 1 18 18 GLU H H 18 7.857 7.857 7.954 -0.097 19600 5300 1 17 . 1 1 19 19 ILE N N 19 121.154 121.154 118.721 2.433 19600 5301 1 17 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.746 -0.326 19600 5302 1 17 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.794 -1.257 19600 5303 1 17 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.576 0.115 19600 5304 1 17 . 1 1 19 19 ILE H H 19 7.076 7.076 7.658 -0.582 19600 5305 1 17 . 1 1 20 20 LEU N N 20 122.911 122.911 117.730 5.181 19600 5306 1 17 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.579 -1.255 19600 5307 1 17 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.670 2.047 19600 5308 1 17 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.273 -1.711 19600 5309 1 17 . 1 1 20 20 LEU H H 20 7.600 7.600 7.365 0.235 19600 5310 1 17 . 1 1 21 21 GLU N N 21 118.448 118.448 119.606 -1.158 19600 5311 1 17 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.124 -0.112 19600 5312 1 17 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.401 -0.473 19600 5313 1 17 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.793 -0.652 19600 5314 1 17 . 1 1 21 21 GLU H H 21 8.354 8.354 8.204 0.150 19600 5315 1 17 . 1 1 22 22 THR N N 22 116.336 116.336 113.547 2.789 19600 5316 1 17 . 1 1 22 22 THR HA H 22 3.745 3.745 4.273 -0.528 19600 5317 1 17 . 1 1 22 22 THR CA C 22 67.433 67.433 66.084 1.349 19600 5318 1 17 . 1 1 22 22 THR CB C 22 68.490 68.490 69.584 -1.094 19600 5319 1 17 . 1 1 22 22 THR H H 22 7.703 7.703 8.466 -0.763 19600 5320 1 17 . 1 1 23 23 LEU N N 23 123.532 123.532 123.289 0.243 19600 5321 1 17 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.165 0.034 19600 5322 1 17 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.214 0.081 19600 5323 1 17 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.105 -1.268 19600 5324 1 17 . 1 1 23 23 LEU H H 23 7.501 7.501 7.677 -0.176 19600 5325 1 17 . 1 1 24 24 PHE N N 24 120.756 120.756 119.337 1.419 19600 5326 1 17 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.260 0.175 19600 5327 1 17 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.882 0.450 19600 5328 1 17 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.931 0.047 19600 5329 1 17 . 1 1 24 24 PHE H H 24 8.708 8.708 8.160 0.548 19600 5330 1 17 . 1 1 25 25 ASN N N 25 113.604 113.604 115.557 -1.953 19600 5331 1 17 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.280 -0.206 19600 5332 1 17 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.238 0.111 19600 5333 1 17 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.945 -0.145 19600 5334 1 17 . 1 1 25 25 ASN H H 25 7.827 7.827 7.805 0.022 19600 5335 1 17 . 1 1 26 26 GLU N N 26 120.985 120.985 119.225 1.760 19600 5336 1 17 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.137 -0.166 19600 5337 1 17 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.456 0.045 19600 5338 1 17 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.189 -0.101 19600 5339 1 17 . 1 1 26 26 GLU H H 26 7.532 7.532 8.090 -0.558 19600 5340 1 17 . 1 1 27 27 THR N N 27 115.986 115.986 107.508 8.478 19600 5341 1 17 . 1 1 27 27 THR HA H 27 4.085 4.085 4.389 -0.304 19600 5342 1 17 . 1 1 27 27 THR CA C 27 59.365 59.365 61.199 -1.834 19600 5343 1 17 . 1 1 27 27 THR CB C 27 69.151 69.151 70.017 -0.867 19600 5344 1 17 . 1 1 27 27 THR H H 27 8.719 8.719 8.044 0.675 19600 5345 1 17 . 1 1 28 28 GLN N N 28 122.144 122.144 118.793 3.351 19600 5346 1 17 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.496 -0.842 19600 5347 1 17 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.187 2.033 19600 5348 1 17 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.181 -1.121 19600 5349 1 17 . 1 1 28 28 GLN H H 28 7.963 7.963 8.135 -0.172 19600 5350 1 17 . 1 1 29 29 TYR N N 29 114.355 114.355 122.080 -7.725 19600 5351 1 17 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.874 -0.445 19600 5352 1 17 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.730 1.727 19600 5353 1 17 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.946 1.052 19600 5354 1 17 . 1 1 29 29 TYR H H 29 7.680 7.680 7.640 0.040 19600 5355 1 17 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.347 -0.273 19600 5356 1 17 . 1 1 30 30 PRO CA C 30 62.403 62.403 62.948 -0.545 19600 5357 1 17 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.544 1.142 19600 5358 1 17 . 1 1 31 31 ASP N N 31 123.957 123.957 123.373 0.584 19600 5359 1 17 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.780 -0.589 19600 5360 1 17 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.642 0.171 19600 5361 1 17 . 1 1 31 31 ASP CB C 31 41.087 41.087 42.169 -1.082 19600 5362 1 17 . 1 1 31 31 ASP H H 31 8.496 8.496 8.006 0.490 19600 5363 1 17 . 1 1 32 32 VAL N N 32 117.950 117.950 117.850 0.100 19600 5364 1 17 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.751 -0.553 19600 5365 1 17 . 1 1 32 32 VAL CA C 32 66.250 66.250 64.886 1.364 19600 5366 1 17 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.680 -0.187 19600 5367 1 17 . 1 1 32 32 VAL H H 32 8.162 8.162 8.316 -0.154 19600 5368 1 17 . 1 1 33 33 PHE N N 33 120.199 120.199 118.932 1.267 19600 5369 1 17 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.285 -0.249 19600 5370 1 17 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.404 -0.890 19600 5371 1 17 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.808 -0.875 19600 5372 1 17 . 1 1 33 33 PHE H H 33 6.841 6.841 8.364 -1.523 19600 5373 1 17 . 1 1 34 34 ALA N N 34 123.742 123.742 121.730 2.012 19600 5374 1 17 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.058 -0.176 19600 5375 1 17 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.465 0.677 19600 5376 1 17 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.014 -0.455 19600 5377 1 17 . 1 1 34 34 ALA H H 34 8.139 8.139 8.096 0.043 19600 5378 1 17 . 1 1 35 35 ARG N N 35 116.197 116.197 118.460 -2.263 19600 5379 1 17 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.808 -0.254 19600 5380 1 17 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.205 1.542 19600 5381 1 17 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.572 1.598 19600 5382 1 17 . 1 1 35 35 ARG H H 35 8.281 8.281 8.026 0.255 19600 5383 1 17 . 1 1 36 36 GLU N N 36 119.133 119.133 118.307 0.826 19600 5384 1 17 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.986 -0.289 19600 5385 1 17 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.647 1.063 19600 5386 1 17 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.468 -0.018 19600 5387 1 17 . 1 1 36 36 GLU H H 36 8.382 8.382 8.353 0.029 19600 5388 1 17 . 1 1 37 37 ARG N N 37 119.597 119.597 119.508 0.089 19600 5389 1 17 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.088 -0.176 19600 5390 1 17 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.939 0.754 19600 5391 1 17 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.602 -0.599 19600 5392 1 17 . 1 1 37 37 ARG H H 37 7.707 7.707 7.517 0.190 19600 5393 1 17 . 1 1 38 38 VAL N N 38 119.099 119.099 117.552 1.547 19600 5394 1 17 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.713 0.062 19600 5395 1 17 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.586 0.233 19600 5396 1 17 . 1 1 38 38 VAL CB C 38 31.643 31.643 31.154 0.489 19600 5397 1 17 . 1 1 38 38 VAL H H 38 7.630 7.630 8.079 -0.449 19600 5398 1 17 . 1 1 39 39 ALA N N 39 124.624 124.624 122.434 2.190 19600 5399 1 17 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.937 -0.246 19600 5400 1 17 . 1 1 39 39 ALA CA C 39 56.414 56.414 54.953 1.461 19600 5401 1 17 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.236 0.014 19600 5402 1 17 . 1 1 39 39 ALA H H 39 8.196 8.196 7.939 0.257 19600 5403 1 17 . 1 1 40 40 ASP N N 40 115.786 115.786 116.078 -0.292 19600 5404 1 17 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.649 -0.452 19600 5405 1 17 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.373 1.442 19600 5406 1 17 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.105 0.202 19600 5407 1 17 . 1 1 40 40 ASP H H 40 7.510 7.510 8.025 -0.515 19600 5408 1 17 . 1 1 41 41 GLN N N 41 118.952 118.952 117.695 1.257 19600 5409 1 17 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.247 -0.412 19600 5410 1 17 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.525 1.794 19600 5411 1 17 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.585 -0.020 19600 5412 1 17 . 1 1 41 41 GLN H H 41 7.643 7.643 7.897 -0.254 19600 5413 1 17 . 1 1 42 42 ILE N N 42 108.381 108.381 111.073 -2.692 19600 5414 1 17 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.207 0.185 19600 5415 1 17 . 1 1 42 42 ILE CA C 42 60.792 60.792 60.962 -0.170 19600 5416 1 17 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.847 -0.405 19600 5417 1 17 . 1 1 42 42 ILE H H 42 8.076 8.076 7.489 0.587 19600 5418 1 17 . 1 1 43 43 ARG N N 43 119.055 119.055 119.075 -0.020 19600 5419 1 17 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.051 -0.313 19600 5420 1 17 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.522 0.301 19600 5421 1 17 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.813 -1.747 19600 5422 1 17 . 1 1 43 43 ARG H H 43 7.588 7.588 7.527 0.061 19600 5423 1 17 . 1 1 44 44 LEU N N 44 119.135 119.135 119.569 -0.434 19600 5424 1 17 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.725 -0.157 19600 5425 1 17 . 1 1 44 44 LEU CA C 44 52.996 52.996 52.911 0.085 19600 5426 1 17 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.206 2.394 19600 5427 1 17 . 1 1 44 44 LEU H H 44 7.648 7.648 8.332 -0.684 19600 5428 1 17 . 1 1 45 45 GLN N N 45 118.784 118.784 120.444 -1.660 19600 5429 1 17 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.212 -0.147 19600 5430 1 17 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.922 -0.595 19600 5431 1 17 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.505 0.297 19600 5432 1 17 . 1 1 45 45 GLN H H 45 8.107 8.107 8.420 -0.313 19600 5433 1 17 . 1 1 46 46 GLU N N 46 125.074 125.074 123.635 1.439 19600 5434 1 17 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.036 -0.493 19600 5435 1 17 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.154 2.009 19600 5436 1 17 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.444 -0.808 19600 5437 1 17 . 1 1 46 46 GLU H H 46 9.097 9.097 8.963 0.134 19600 5438 1 17 . 1 1 47 47 SER N N 47 113.706 113.706 114.059 -0.353 19600 5439 1 17 . 1 1 47 47 SER HA H 47 3.828 3.828 4.381 -0.553 19600 5440 1 17 . 1 1 47 47 SER CA C 47 61.464 61.464 59.497 1.967 19600 5441 1 17 . 1 1 47 47 SER CB C 47 61.867 61.867 63.200 -1.333 19600 5442 1 17 . 1 1 47 47 SER H H 47 8.533 8.533 8.148 0.385 19600 5443 1 17 . 1 1 48 48 ARG N N 48 121.795 121.795 121.093 0.702 19600 5444 1 17 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.284 -0.236 19600 5445 1 17 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.023 0.133 19600 5446 1 17 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.754 -0.279 19600 5447 1 17 . 1 1 48 48 ARG H H 48 7.153 7.153 7.913 -0.760 19600 5448 1 17 . 1 1 49 49 ILE N N 49 121.647 121.647 121.289 0.358 19600 5449 1 17 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.806 -0.171 19600 5450 1 17 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.454 0.059 19600 5451 1 17 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.750 -0.927 19600 5452 1 17 . 1 1 49 49 ILE H H 49 7.613 7.613 8.170 -0.557 19600 5453 1 17 . 1 1 50 50 GLN N N 50 118.579 118.579 118.446 0.133 19600 5454 1 17 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.106 0.027 19600 5455 1 17 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.141 1.332 19600 5456 1 17 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.502 0.530 19600 5457 1 17 . 1 1 50 50 GLN H H 50 8.051 8.051 8.359 -0.308 19600 5458 1 17 . 1 1 51 51 VAL N N 51 120.580 120.580 115.548 5.032 19600 5459 1 17 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.920 -0.477 19600 5460 1 17 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.245 1.842 19600 5461 1 17 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.125 1.153 19600 5462 1 17 . 1 1 51 51 VAL H H 51 7.372 7.372 7.936 -0.564 19600 5463 1 17 . 1 1 52 52 TRP N N 52 121.485 121.485 121.098 0.387 19600 5464 1 17 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.583 -0.809 19600 5465 1 17 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.936 3.566 19600 5466 1 17 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.844 -1.456 19600 5467 1 17 . 1 1 52 52 TRP H H 52 8.135 8.135 7.392 0.743 19600 5468 1 17 . 1 1 53 53 PHE N N 53 118.122 118.122 120.909 -2.787 19600 5469 1 17 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.186 -0.765 19600 5470 1 17 . 1 1 53 53 PHE CA C 53 63.987 63.987 59.961 4.026 19600 5471 1 17 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.960 0.392 19600 5472 1 17 . 1 1 53 53 PHE H H 53 8.764 8.764 8.490 0.274 19600 5473 1 17 . 1 1 54 54 LYS N N 54 120.838 120.838 118.551 2.287 19600 5474 1 17 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.840 -0.125 19600 5475 1 17 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.093 3.584 19600 5476 1 17 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.377 -0.186 19600 5477 1 17 . 1 1 54 54 LYS H H 54 7.947 7.947 7.551 0.396 19600 5478 1 17 . 1 1 55 55 ASN N N 55 118.986 118.986 119.422 -0.436 19600 5479 1 17 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.305 -0.184 19600 5480 1 17 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.833 -1.138 19600 5481 1 17 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.595 -0.855 19600 5482 1 17 . 1 1 55 55 ASN H H 55 7.953 7.953 8.399 -0.446 19600 5483 1 17 . 1 1 56 56 ARG N N 56 124.991 124.991 119.628 5.363 19600 5484 1 17 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.158 -0.876 19600 5485 1 17 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.836 -0.988 19600 5486 1 17 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.350 -2.678 19600 5487 1 17 . 1 1 56 56 ARG H H 56 8.263 8.263 8.272 -0.009 19600 5488 1 17 . 1 1 57 57 ARG N N 57 120.173 120.173 119.708 0.465 19600 5489 1 17 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.359 0.430 19600 5490 1 17 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.328 2.851 19600 5491 1 17 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.386 2.139 19600 5492 1 17 . 1 1 57 57 ARG H H 57 8.343 8.343 7.606 0.737 19600 5493 1 17 . 1 1 58 58 ALA N N 58 121.602 121.602 119.373 2.229 19600 5494 1 17 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.457 -0.546 19600 5495 1 17 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.745 1.596 19600 5496 1 17 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.119 -1.343 19600 5497 1 17 . 1 1 58 58 ALA H H 58 7.179 7.179 8.055 -0.876 19600 5498 1 17 . 1 1 59 59 LYS N N 59 119.515 119.515 120.703 -1.188 19600 5499 1 17 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.998 -0.268 19600 5500 1 17 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.125 1.200 19600 5501 1 17 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.715 0.858 19600 5502 1 17 . 1 1 59 59 LYS H H 59 7.463 7.463 7.660 -0.197 19600 5503 1 17 . 1 1 60 60 TYR N N 60 120.152 120.152 118.700 1.452 19600 5504 1 17 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.076 0.084 19600 5505 1 17 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.018 0.996 19600 5506 1 17 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.452 1.358 19600 5507 1 17 . 1 1 60 60 TYR H H 60 7.874 7.874 7.866 0.008 19600 5508 1 17 . 1 1 61 61 ARG N N 61 118.122 118.122 117.699 0.423 19600 5509 1 17 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.467 0.364 19600 5510 1 17 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.228 0.971 19600 5511 1 17 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.669 0.641 19600 5512 1 17 . 1 1 61 61 ARG H H 61 7.943 7.943 7.455 0.488 19600 5513 1 17 . 1 1 62 62 LEU N N 62 119.191 119.191 121.715 -2.524 19600 5514 1 17 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.016 -0.086 19600 5515 1 17 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.861 -0.741 19600 5516 1 17 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.519 0.590 19600 5517 1 17 . 1 1 62 62 LEU H H 62 7.407 7.407 7.831 -0.424 19600 5518 1 17 . 1 1 63 63 GLN N N 63 118.201 118.201 116.264 1.937 19600 5519 1 17 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.975 -0.102 19600 5520 1 17 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.386 -1.048 19600 5521 1 17 . 1 1 63 63 GLN CB C 63 28.871 28.871 27.785 1.086 19600 5522 1 17 . 1 1 63 63 GLN H H 63 7.676 7.676 7.982 -0.306 19600 5523 1 17 . 1 1 64 64 GLU N N 64 120.152 120.152 121.177 -1.025 19600 5524 1 17 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.985 -0.185 19600 5525 1 17 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.099 -1.596 19600 5526 1 17 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.476 0.711 19600 5527 1 17 . 1 1 64 64 GLU H H 64 7.808 7.808 7.763 0.045 19600 5528 1 17 . 1 1 65 65 LYS N N 65 120.364 120.364 116.619 3.745 19600 5529 1 17 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.079 -0.093 19600 5530 1 17 . 1 1 65 65 LYS CA C 65 56.871 56.871 57.974 -1.103 19600 5531 1 17 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.999 0.474 19600 5532 1 17 . 1 1 65 65 LYS H H 65 7.695 7.695 7.658 0.037 19600 5533 1 17 . 1 1 66 66 GLN N N 66 120.265 120.265 119.602 0.663 19600 5534 1 17 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.165 -0.137 19600 5535 1 17 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.669 -1.873 19600 5536 1 17 . 1 1 66 66 GLN CB C 66 29.299 29.299 28.869 0.430 19600 5537 1 17 . 1 1 66 66 GLN H H 66 7.906 7.906 7.570 0.336 19600 5538 1 17 . 1 1 67 67 LYS N N 67 124.357 124.357 119.178 5.179 19600 5539 1 17 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.402 -0.086 19600 5540 1 17 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.194 -0.598 19600 5541 1 17 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.579 -0.122 19600 5542 1 17 . 1 1 67 67 LYS H H 67 7.963 7.963 7.764 0.199 19600 5543 1 18 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.682 -0.448 19600 5544 1 18 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.726 0.490 19600 5545 1 18 . 1 1 2 2 PRO CB C 2 32.566 32.566 32.363 0.203 19600 5546 1 18 . 1 1 3 3 ARG N N 3 122.101 122.101 120.910 1.191 19600 5547 1 18 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.984 -0.933 19600 5548 1 18 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.856 0.652 19600 5549 1 18 . 1 1 3 3 ARG CB C 3 30.742 30.742 34.286 -3.544 19600 5550 1 18 . 1 1 3 3 ARG H H 3 8.377 8.377 9.486 -1.109 19600 5551 1 18 . 1 1 4 4 LYS N N 4 123.421 123.421 119.650 3.771 19600 5552 1 18 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.443 -0.423 19600 5553 1 18 . 1 1 4 4 LYS CA C 4 56.582 56.582 55.715 0.867 19600 5554 1 18 . 1 1 4 4 LYS CB C 4 33.202 33.202 34.849 -1.647 19600 5555 1 18 . 1 1 4 4 LYS H H 4 8.278 8.278 8.580 -0.302 19600 5556 1 18 . 1 1 5 5 ASN N N 5 120.133 120.133 117.325 2.808 19600 5557 1 18 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.400 0.020 19600 5558 1 18 . 1 1 5 5 ASN CA C 5 53.372 53.372 55.371 -1.999 19600 5559 1 18 . 1 1 5 5 ASN CB C 5 38.896 38.896 38.429 0.467 19600 5560 1 18 . 1 1 5 5 ASN H H 5 8.318 8.318 8.521 -0.203 19600 5561 1 18 . 1 1 6 6 ARG N N 6 121.990 121.990 118.597 3.393 19600 5562 1 18 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.428 -0.389 19600 5563 1 18 . 1 1 6 6 ARG CA C 6 56.539 56.539 54.438 2.101 19600 5564 1 18 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.652 0.077 19600 5565 1 18 . 1 1 6 6 ARG H H 6 8.185 8.185 7.555 0.630 19600 5566 1 18 . 1 1 7 7 ARG N N 7 122.520 122.520 121.577 0.943 19600 5567 1 18 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.500 -0.490 19600 5568 1 18 . 1 1 7 7 ARG CA C 7 56.473 56.473 55.536 0.937 19600 5569 1 18 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.087 -0.186 19600 5570 1 18 . 1 1 7 7 ARG H H 7 8.237 8.237 8.654 -0.417 19600 5571 1 18 . 1 1 8 8 GLU N N 8 121.543 121.543 123.393 -1.850 19600 5572 1 18 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.466 -0.447 19600 5573 1 18 . 1 1 8 8 GLU CA C 8 56.546 56.546 56.419 0.127 19600 5574 1 18 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.320 0.239 19600 5575 1 18 . 1 1 8 8 GLU H H 8 7.971 7.971 8.821 -0.850 19600 5576 1 18 . 1 1 9 9 ARG N N 9 122.730 122.730 119.690 3.040 19600 5577 1 18 . 1 1 9 9 ARG HA H 9 4.151 4.151 3.921 0.230 19600 5578 1 18 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.736 -2.341 19600 5579 1 18 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.216 0.737 19600 5580 1 18 . 1 1 9 9 ARG H H 9 8.290 8.290 8.575 -0.285 19600 5581 1 18 . 1 1 10 10 THR N N 10 116.410 116.410 106.924 9.486 19600 5582 1 18 . 1 1 10 10 THR HA H 10 4.073 4.073 4.366 -0.293 19600 5583 1 18 . 1 1 10 10 THR CA C 10 62.073 62.073 61.014 1.059 19600 5584 1 18 . 1 1 10 10 THR CB C 10 70.102 70.102 69.605 0.497 19600 5585 1 18 . 1 1 10 10 THR H H 10 8.132 8.132 7.367 0.765 19600 5586 1 18 . 1 1 11 11 THR N N 11 117.607 117.607 113.319 4.288 19600 5587 1 18 . 1 1 11 11 THR HA H 11 4.101 4.101 4.079 0.022 19600 5588 1 18 . 1 1 11 11 THR CA C 11 61.581 61.581 64.284 -2.704 19600 5589 1 18 . 1 1 11 11 THR CB C 11 70.193 70.193 69.114 1.079 19600 5590 1 18 . 1 1 11 11 THR H H 11 7.868 7.868 8.250 -0.382 19600 5591 1 18 . 1 1 12 12 TYR N N 12 122.200 122.200 114.190 8.010 19600 5592 1 18 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.779 -0.181 19600 5593 1 18 . 1 1 12 12 TYR CA C 12 57.101 57.101 56.215 0.886 19600 5594 1 18 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.143 1.374 19600 5595 1 18 . 1 1 12 12 TYR H H 12 8.053 8.053 7.298 0.755 19600 5596 1 18 . 1 1 13 13 SER N N 13 119.084 119.084 117.190 1.894 19600 5597 1 18 . 1 1 13 13 SER HA H 13 4.340 4.340 4.852 -0.512 19600 5598 1 18 . 1 1 13 13 SER CA C 13 56.906 56.906 56.233 0.673 19600 5599 1 18 . 1 1 13 13 SER CB C 13 65.860 65.860 65.623 0.237 19600 5600 1 18 . 1 1 13 13 SER H H 13 8.976 8.976 8.477 0.499 19600 5601 1 18 . 1 1 14 14 ARG N N 14 121.463 121.463 122.310 -0.847 19600 5602 1 18 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.327 -0.577 19600 5603 1 18 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.514 1.464 19600 5604 1 18 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.303 -0.858 19600 5605 1 18 . 1 1 14 14 ARG H H 14 8.824 8.824 8.940 -0.116 19600 5606 1 18 . 1 1 15 15 GLN N N 15 117.760 117.760 120.088 -2.328 19600 5607 1 18 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.924 -0.107 19600 5608 1 18 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.656 -0.050 19600 5609 1 18 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.672 0.558 19600 5610 1 18 . 1 1 15 15 GLN H H 15 8.341 8.341 8.774 -0.433 19600 5611 1 18 . 1 1 16 16 GLN N N 16 117.933 117.933 116.138 1.795 19600 5612 1 18 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.073 -0.571 19600 5613 1 18 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.562 0.971 19600 5614 1 18 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.792 0.638 19600 5615 1 18 . 1 1 16 16 GLN H H 16 7.487 7.487 8.692 -1.205 19600 5616 1 18 . 1 1 17 17 LEU N N 17 117.025 117.025 116.852 0.173 19600 5617 1 18 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.426 -1.054 19600 5618 1 18 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.689 2.072 19600 5619 1 18 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.704 -0.212 19600 5620 1 18 . 1 1 17 17 LEU H H 17 8.070 8.070 7.268 0.802 19600 5621 1 18 . 1 1 18 18 GLU N N 18 118.469 118.469 121.364 -2.895 19600 5622 1 18 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.140 -0.410 19600 5623 1 18 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.577 0.190 19600 5624 1 18 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.573 -0.022 19600 5625 1 18 . 1 1 18 18 GLU H H 18 7.857 7.857 7.997 -0.140 19600 5626 1 18 . 1 1 19 19 ILE N N 19 121.154 121.154 118.670 2.484 19600 5627 1 18 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.755 -0.335 19600 5628 1 18 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.764 -1.227 19600 5629 1 18 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.572 0.119 19600 5630 1 18 . 1 1 19 19 ILE H H 19 7.076 7.076 7.659 -0.583 19600 5631 1 18 . 1 1 20 20 LEU N N 20 122.911 122.911 117.235 5.676 19600 5632 1 18 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.539 -1.215 19600 5633 1 18 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.757 1.960 19600 5634 1 18 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.114 -1.552 19600 5635 1 18 . 1 1 20 20 LEU H H 20 7.600 7.600 7.268 0.332 19600 5636 1 18 . 1 1 21 21 GLU N N 21 118.448 118.448 120.098 -1.650 19600 5637 1 18 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.142 -0.130 19600 5638 1 18 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.480 -0.552 19600 5639 1 18 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.613 -0.472 19600 5640 1 18 . 1 1 21 21 GLU H H 21 8.354 8.354 8.153 0.201 19600 5641 1 18 . 1 1 22 22 THR N N 22 116.336 116.336 112.959 3.377 19600 5642 1 18 . 1 1 22 22 THR HA H 22 3.745 3.745 4.356 -0.611 19600 5643 1 18 . 1 1 22 22 THR CA C 22 67.433 67.433 65.037 2.396 19600 5644 1 18 . 1 1 22 22 THR CB C 22 68.490 68.490 69.256 -0.766 19600 5645 1 18 . 1 1 22 22 THR H H 22 7.703 7.703 8.479 -0.776 19600 5646 1 18 . 1 1 23 23 LEU N N 23 123.532 123.532 123.110 0.422 19600 5647 1 18 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.217 -0.018 19600 5648 1 18 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.228 0.067 19600 5649 1 18 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.013 -1.175 19600 5650 1 18 . 1 1 23 23 LEU H H 23 7.501 7.501 7.628 -0.127 19600 5651 1 18 . 1 1 24 24 PHE N N 24 120.756 120.756 118.666 2.090 19600 5652 1 18 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.300 0.135 19600 5653 1 18 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.709 0.623 19600 5654 1 18 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.886 0.092 19600 5655 1 18 . 1 1 24 24 PHE H H 24 8.708 8.708 8.071 0.637 19600 5656 1 18 . 1 1 25 25 ASN N N 25 113.604 113.604 115.727 -2.123 19600 5657 1 18 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.298 -0.224 19600 5658 1 18 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.840 0.509 19600 5659 1 18 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.963 -0.163 19600 5660 1 18 . 1 1 25 25 ASN H H 25 7.827 7.827 7.792 0.035 19600 5661 1 18 . 1 1 26 26 GLU N N 26 120.985 120.985 119.384 1.601 19600 5662 1 18 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.115 -0.144 19600 5663 1 18 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.563 -0.062 19600 5664 1 18 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.395 -0.307 19600 5665 1 18 . 1 1 26 26 GLU H H 26 7.532 7.532 7.963 -0.431 19600 5666 1 18 . 1 1 27 27 THR N N 27 115.986 115.986 108.324 7.662 19600 5667 1 18 . 1 1 27 27 THR HA H 27 4.085 4.085 4.383 -0.298 19600 5668 1 18 . 1 1 27 27 THR CA C 27 59.365 59.365 61.281 -1.916 19600 5669 1 18 . 1 1 27 27 THR CB C 27 69.151 69.151 69.201 -0.050 19600 5670 1 18 . 1 1 27 27 THR H H 27 8.719 8.719 7.914 0.805 19600 5671 1 18 . 1 1 28 28 GLN N N 28 122.144 122.144 119.529 2.615 19600 5672 1 18 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.486 -0.832 19600 5673 1 18 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.412 1.808 19600 5674 1 18 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.721 -1.661 19600 5675 1 18 . 1 1 28 28 GLN H H 28 7.963 7.963 8.057 -0.094 19600 5676 1 18 . 1 1 29 29 TYR N N 29 114.355 114.355 120.557 -6.202 19600 5677 1 18 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.839 -0.410 19600 5678 1 18 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.244 2.213 19600 5679 1 18 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.760 1.237 19600 5680 1 18 . 1 1 29 29 TYR H H 29 7.680 7.680 7.748 -0.068 19600 5681 1 18 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.327 -0.253 19600 5682 1 18 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.051 -0.648 19600 5683 1 18 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.887 0.799 19600 5684 1 18 . 1 1 31 31 ASP N N 31 123.957 123.957 121.828 2.129 19600 5685 1 18 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.925 -0.734 19600 5686 1 18 . 1 1 31 31 ASP CA C 31 52.813 52.813 51.495 1.318 19600 5687 1 18 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.836 -3.749 19600 5688 1 18 . 1 1 31 31 ASP H H 31 8.496 8.496 8.051 0.445 19600 5689 1 18 . 1 1 32 32 VAL N N 32 117.950 117.950 118.100 -0.150 19600 5690 1 18 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.721 -0.523 19600 5691 1 18 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.078 0.172 19600 5692 1 18 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.764 -0.271 19600 5693 1 18 . 1 1 32 32 VAL H H 32 8.162 8.162 8.358 -0.196 19600 5694 1 18 . 1 1 33 33 PHE N N 33 120.199 120.199 118.255 1.944 19600 5695 1 18 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.259 -0.223 19600 5696 1 18 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.041 -0.527 19600 5697 1 18 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.676 -0.743 19600 5698 1 18 . 1 1 33 33 PHE H H 33 6.841 6.841 8.342 -1.501 19600 5699 1 18 . 1 1 34 34 ALA N N 34 123.742 123.742 121.907 1.835 19600 5700 1 18 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.036 -0.154 19600 5701 1 18 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.607 0.535 19600 5702 1 18 . 1 1 34 34 ALA CB C 34 18.559 18.559 18.961 -0.402 19600 5703 1 18 . 1 1 34 34 ALA H H 34 8.139 8.139 8.069 0.070 19600 5704 1 18 . 1 1 35 35 ARG N N 35 116.197 116.197 118.479 -2.282 19600 5705 1 18 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.852 -0.298 19600 5706 1 18 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.192 1.555 19600 5707 1 18 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.607 1.563 19600 5708 1 18 . 1 1 35 35 ARG H H 35 8.281 8.281 7.938 0.343 19600 5709 1 18 . 1 1 36 36 GLU N N 36 119.133 119.133 118.310 0.823 19600 5710 1 18 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.989 -0.292 19600 5711 1 18 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.691 1.019 19600 5712 1 18 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.480 -0.030 19600 5713 1 18 . 1 1 36 36 GLU H H 36 8.382 8.382 8.469 -0.087 19600 5714 1 18 . 1 1 37 37 ARG N N 37 119.597 119.597 118.755 0.842 19600 5715 1 18 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.104 -0.192 19600 5716 1 18 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.913 0.780 19600 5717 1 18 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.545 -0.542 19600 5718 1 18 . 1 1 37 37 ARG H H 37 7.707 7.707 7.542 0.165 19600 5719 1 18 . 1 1 38 38 VAL N N 38 119.099 119.099 118.118 0.981 19600 5720 1 18 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.701 0.074 19600 5721 1 18 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.447 0.372 19600 5722 1 18 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.716 0.927 19600 5723 1 18 . 1 1 38 38 VAL H H 38 7.630 7.630 7.918 -0.288 19600 5724 1 18 . 1 1 39 39 ALA N N 39 124.624 124.624 122.342 2.282 19600 5725 1 18 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.924 -0.233 19600 5726 1 18 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.040 1.374 19600 5727 1 18 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.137 0.113 19600 5728 1 18 . 1 1 39 39 ALA H H 39 8.196 8.196 7.876 0.320 19600 5729 1 18 . 1 1 40 40 ASP N N 40 115.786 115.786 116.293 -0.507 19600 5730 1 18 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.556 -0.359 19600 5731 1 18 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.931 0.884 19600 5732 1 18 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.019 0.288 19600 5733 1 18 . 1 1 40 40 ASP H H 40 7.510 7.510 8.073 -0.563 19600 5734 1 18 . 1 1 41 41 GLN N N 41 118.952 118.952 118.954 -0.002 19600 5735 1 18 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.168 -0.334 19600 5736 1 18 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.928 1.391 19600 5737 1 18 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.384 0.181 19600 5738 1 18 . 1 1 41 41 GLN H H 41 7.643 7.643 7.845 -0.202 19600 5739 1 18 . 1 1 42 42 ILE N N 42 108.381 108.381 112.076 -3.695 19600 5740 1 18 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.359 0.033 19600 5741 1 18 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.048 -0.256 19600 5742 1 18 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.919 -0.477 19600 5743 1 18 . 1 1 42 42 ILE H H 42 8.076 8.076 7.658 0.418 19600 5744 1 18 . 1 1 43 43 ARG N N 43 119.055 119.055 118.958 0.097 19600 5745 1 18 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.041 -0.303 19600 5746 1 18 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.399 0.424 19600 5747 1 18 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.636 -1.570 19600 5748 1 18 . 1 1 43 43 ARG H H 43 7.588 7.588 7.592 -0.004 19600 5749 1 18 . 1 1 44 44 LEU N N 44 119.135 119.135 119.987 -0.852 19600 5750 1 18 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.600 -0.032 19600 5751 1 18 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.548 -0.552 19600 5752 1 18 . 1 1 44 44 LEU CB C 44 47.600 47.600 44.869 2.731 19600 5753 1 18 . 1 1 44 44 LEU H H 44 7.648 7.648 8.447 -0.799 19600 5754 1 18 . 1 1 45 45 GLN N N 45 118.784 118.784 120.276 -1.492 19600 5755 1 18 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.292 -0.227 19600 5756 1 18 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.278 0.049 19600 5757 1 18 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.535 0.267 19600 5758 1 18 . 1 1 45 45 GLN H H 45 8.107 8.107 8.408 -0.301 19600 5759 1 18 . 1 1 46 46 GLU N N 46 125.074 125.074 125.829 -0.755 19600 5760 1 18 . 1 1 46 46 GLU HA H 46 3.543 3.543 3.987 -0.444 19600 5761 1 18 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.649 1.514 19600 5762 1 18 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.185 -0.549 19600 5763 1 18 . 1 1 46 46 GLU H H 46 9.097 9.097 8.820 0.277 19600 5764 1 18 . 1 1 47 47 SER N N 47 113.706 113.706 114.224 -0.518 19600 5765 1 18 . 1 1 47 47 SER HA H 47 3.828 3.828 4.374 -0.546 19600 5766 1 18 . 1 1 47 47 SER CA C 47 61.464 61.464 60.558 0.906 19600 5767 1 18 . 1 1 47 47 SER CB C 47 61.867 61.867 62.835 -0.968 19600 5768 1 18 . 1 1 47 47 SER H H 47 8.533 8.533 8.250 0.283 19600 5769 1 18 . 1 1 48 48 ARG N N 48 121.795 121.795 121.931 -0.136 19600 5770 1 18 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.366 -0.318 19600 5771 1 18 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.714 0.442 19600 5772 1 18 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.734 -0.259 19600 5773 1 18 . 1 1 48 48 ARG H H 48 7.153 7.153 7.907 -0.754 19600 5774 1 18 . 1 1 49 49 ILE N N 49 121.647 121.647 121.287 0.360 19600 5775 1 18 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.886 -0.251 19600 5776 1 18 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.258 0.255 19600 5777 1 18 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.745 -0.922 19600 5778 1 18 . 1 1 49 49 ILE H H 49 7.613 7.613 8.419 -0.806 19600 5779 1 18 . 1 1 50 50 GLN N N 50 118.579 118.579 118.510 0.069 19600 5780 1 18 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.106 0.027 19600 5781 1 18 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.079 1.394 19600 5782 1 18 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.480 0.552 19600 5783 1 18 . 1 1 50 50 GLN H H 50 8.051 8.051 8.209 -0.158 19600 5784 1 18 . 1 1 51 51 VAL N N 51 120.580 120.580 114.739 5.841 19600 5785 1 18 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.925 -0.482 19600 5786 1 18 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.547 1.540 19600 5787 1 18 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.504 0.774 19600 5788 1 18 . 1 1 51 51 VAL H H 51 7.372 7.372 7.745 -0.373 19600 5789 1 18 . 1 1 52 52 TRP N N 52 121.485 121.485 120.944 0.541 19600 5790 1 18 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.620 -0.846 19600 5791 1 18 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.980 3.522 19600 5792 1 18 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.811 -1.423 19600 5793 1 18 . 1 1 52 52 TRP H H 52 8.135 8.135 7.426 0.709 19600 5794 1 18 . 1 1 53 53 PHE N N 53 118.122 118.122 121.190 -3.068 19600 5795 1 18 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.187 -0.766 19600 5796 1 18 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.465 3.522 19600 5797 1 18 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.777 0.575 19600 5798 1 18 . 1 1 53 53 PHE H H 53 8.764 8.764 8.358 0.406 19600 5799 1 18 . 1 1 54 54 LYS N N 54 120.838 120.838 118.670 2.168 19600 5800 1 18 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.835 -0.120 19600 5801 1 18 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.509 3.168 19600 5802 1 18 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.373 -0.181 19600 5803 1 18 . 1 1 54 54 LYS H H 54 7.947 7.947 7.525 0.422 19600 5804 1 18 . 1 1 55 55 ASN N N 55 118.986 118.986 119.783 -0.797 19600 5805 1 18 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.520 -0.399 19600 5806 1 18 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.470 -0.775 19600 5807 1 18 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.325 -0.585 19600 5808 1 18 . 1 1 55 55 ASN H H 55 7.953 7.953 8.394 -0.441 19600 5809 1 18 . 1 1 56 56 ARG N N 56 124.991 124.991 119.167 5.824 19600 5810 1 18 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.119 -0.837 19600 5811 1 18 . 1 1 56 56 ARG CA C 56 56.848 56.848 58.033 -1.185 19600 5812 1 18 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.205 -2.533 19600 5813 1 18 . 1 1 56 56 ARG H H 56 8.263 8.263 8.270 -0.007 19600 5814 1 18 . 1 1 57 57 ARG N N 57 120.173 120.173 120.034 0.139 19600 5815 1 18 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.344 0.445 19600 5816 1 18 . 1 1 57 57 ARG CA C 57 61.179 61.179 57.974 3.204 19600 5817 1 18 . 1 1 57 57 ARG CB C 57 31.525 31.525 28.906 2.619 19600 5818 1 18 . 1 1 57 57 ARG H H 57 8.343 8.343 7.560 0.783 19600 5819 1 18 . 1 1 58 58 ALA N N 58 121.602 121.602 119.278 2.324 19600 5820 1 18 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.478 -0.567 19600 5821 1 18 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.752 1.589 19600 5822 1 18 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.139 -1.363 19600 5823 1 18 . 1 1 58 58 ALA H H 58 7.179 7.179 8.007 -0.828 19600 5824 1 18 . 1 1 59 59 LYS N N 59 119.515 119.515 120.765 -1.250 19600 5825 1 18 . 1 1 59 59 LYS HA H 59 3.730 3.730 4.000 -0.270 19600 5826 1 18 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.157 1.168 19600 5827 1 18 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.704 0.869 19600 5828 1 18 . 1 1 59 59 LYS H H 59 7.463 7.463 7.674 -0.211 19600 5829 1 18 . 1 1 60 60 TYR N N 60 120.152 120.152 119.315 0.837 19600 5830 1 18 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.117 0.043 19600 5831 1 18 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.089 0.925 19600 5832 1 18 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.552 1.258 19600 5833 1 18 . 1 1 60 60 TYR H H 60 7.874 7.874 7.896 -0.022 19600 5834 1 18 . 1 1 61 61 ARG N N 61 118.122 118.122 118.839 -0.717 19600 5835 1 18 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.570 0.261 19600 5836 1 18 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.849 1.349 19600 5837 1 18 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.568 0.742 19600 5838 1 18 . 1 1 61 61 ARG H H 61 7.943 7.943 7.547 0.396 19600 5839 1 18 . 1 1 62 62 LEU N N 62 119.191 119.191 120.335 -1.144 19600 5840 1 18 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.096 -0.166 19600 5841 1 18 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.641 -0.520 19600 5842 1 18 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.417 0.692 19600 5843 1 18 . 1 1 62 62 LEU H H 62 7.407 7.407 7.420 -0.013 19600 5844 1 18 . 1 1 63 63 GLN N N 63 118.201 118.201 117.018 1.183 19600 5845 1 18 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.065 -0.192 19600 5846 1 18 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.354 -1.016 19600 5847 1 18 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.419 0.452 19600 5848 1 18 . 1 1 63 63 GLN H H 63 7.676 7.676 8.415 -0.739 19600 5849 1 18 . 1 1 64 64 GLU N N 64 120.152 120.152 121.877 -1.725 19600 5850 1 18 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.956 -0.156 19600 5851 1 18 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.276 -1.774 19600 5852 1 18 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.335 0.852 19600 5853 1 18 . 1 1 64 64 GLU H H 64 7.808 7.808 7.749 0.059 19600 5854 1 18 . 1 1 65 65 LYS N N 65 120.364 120.364 116.513 3.851 19600 5855 1 18 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.118 -0.132 19600 5856 1 18 . 1 1 65 65 LYS CA C 65 56.871 56.871 57.828 -0.957 19600 5857 1 18 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.927 0.546 19600 5858 1 18 . 1 1 65 65 LYS H H 65 7.695 7.695 7.490 0.205 19600 5859 1 18 . 1 1 66 66 GLN N N 66 120.265 120.265 119.210 1.055 19600 5860 1 18 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.079 -0.051 19600 5861 1 18 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.711 -1.915 19600 5862 1 18 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.061 0.238 19600 5863 1 18 . 1 1 66 66 GLN H H 66 7.906 7.906 7.551 0.355 19600 5864 1 18 . 1 1 67 67 LYS N N 67 124.357 124.357 119.181 5.176 19600 5865 1 18 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.205 0.111 19600 5866 1 18 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.833 -1.237 19600 5867 1 18 . 1 1 67 67 LYS CB C 67 32.457 32.457 31.746 0.711 19600 5868 1 18 . 1 1 67 67 LYS H H 67 7.963 7.963 7.986 -0.023 19600 5869 1 19 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.408 -0.174 19600 5870 1 19 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.744 0.472 19600 5871 1 19 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.084 2.482 19600 5872 1 19 . 1 1 3 3 ARG N N 3 122.101 122.101 117.747 4.354 19600 5873 1 19 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.325 -0.274 19600 5874 1 19 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.815 0.693 19600 5875 1 19 . 1 1 3 3 ARG CB C 3 30.742 30.742 30.825 -0.083 19600 5876 1 19 . 1 1 3 3 ARG H H 3 8.377 8.377 8.002 0.375 19600 5877 1 19 . 1 1 4 4 LYS N N 4 123.421 123.421 121.352 2.069 19600 5878 1 19 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.361 -0.341 19600 5879 1 19 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.316 -0.735 19600 5880 1 19 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.449 -0.247 19600 5881 1 19 . 1 1 4 4 LYS H H 4 8.278 8.278 8.601 -0.323 19600 5882 1 19 . 1 1 5 5 ASN N N 5 120.133 120.133 115.137 4.996 19600 5883 1 19 . 1 1 5 5 ASN HA H 5 4.420 4.420 5.117 -0.697 19600 5884 1 19 . 1 1 5 5 ASN CA C 5 53.372 53.372 52.207 1.165 19600 5885 1 19 . 1 1 5 5 ASN CB C 5 38.896 38.896 40.168 -1.272 19600 5886 1 19 . 1 1 5 5 ASN H H 5 8.318 8.318 8.022 0.296 19600 5887 1 19 . 1 1 6 6 ARG N N 6 121.990 121.990 119.725 2.265 19600 5888 1 19 . 1 1 6 6 ARG HA H 6 4.039 4.039 3.958 0.081 19600 5889 1 19 . 1 1 6 6 ARG CA C 6 56.539 56.539 58.483 -1.944 19600 5890 1 19 . 1 1 6 6 ARG CB C 6 30.729 30.729 29.973 0.756 19600 5891 1 19 . 1 1 6 6 ARG H H 6 8.185 8.185 8.595 -0.410 19600 5892 1 19 . 1 1 7 7 ARG N N 7 122.520 122.520 121.487 1.033 19600 5893 1 19 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.193 -0.183 19600 5894 1 19 . 1 1 7 7 ARG CA C 7 56.473 56.473 57.196 -0.723 19600 5895 1 19 . 1 1 7 7 ARG CB C 7 30.901 30.901 31.107 -0.206 19600 5896 1 19 . 1 1 7 7 ARG H H 7 8.237 8.237 8.291 -0.054 19600 5897 1 19 . 1 1 8 8 GLU N N 8 121.543 121.543 117.213 4.330 19600 5898 1 19 . 1 1 8 8 GLU HA H 8 4.019 4.019 3.896 0.123 19600 5899 1 19 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.165 1.381 19600 5900 1 19 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.826 -0.267 19600 5901 1 19 . 1 1 8 8 GLU H H 8 7.971 7.971 8.079 -0.108 19600 5902 1 19 . 1 1 9 9 ARG N N 9 122.730 122.730 119.688 3.042 19600 5903 1 19 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.107 0.044 19600 5904 1 19 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.418 -2.023 19600 5905 1 19 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.553 0.400 19600 5906 1 19 . 1 1 9 9 ARG H H 9 8.290 8.290 8.674 -0.384 19600 5907 1 19 . 1 1 10 10 THR N N 10 116.410 116.410 106.664 9.746 19600 5908 1 19 . 1 1 10 10 THR HA H 10 4.073 4.073 4.277 -0.204 19600 5909 1 19 . 1 1 10 10 THR CA C 10 62.073 62.073 61.387 0.686 19600 5910 1 19 . 1 1 10 10 THR CB C 10 70.102 70.102 70.075 0.027 19600 5911 1 19 . 1 1 10 10 THR H H 10 8.132 8.132 7.369 0.763 19600 5912 1 19 . 1 1 11 11 THR N N 11 117.607 117.607 113.670 3.937 19600 5913 1 19 . 1 1 11 11 THR HA H 11 4.101 4.101 3.947 0.154 19600 5914 1 19 . 1 1 11 11 THR CA C 11 61.581 61.581 63.910 -2.329 19600 5915 1 19 . 1 1 11 11 THR CB C 11 70.193 70.193 69.277 0.916 19600 5916 1 19 . 1 1 11 11 THR H H 11 7.868 7.868 8.276 -0.408 19600 5917 1 19 . 1 1 12 12 TYR N N 12 122.200 122.200 118.810 3.390 19600 5918 1 19 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.636 -0.038 19600 5919 1 19 . 1 1 12 12 TYR CA C 12 57.101 57.101 57.577 -0.476 19600 5920 1 19 . 1 1 12 12 TYR CB C 12 40.517 40.517 40.540 -0.023 19600 5921 1 19 . 1 1 12 12 TYR H H 12 8.053 8.053 7.863 0.190 19600 5922 1 19 . 1 1 13 13 SER N N 13 119.084 119.084 117.449 1.635 19600 5923 1 19 . 1 1 13 13 SER HA H 13 4.340 4.340 4.883 -0.543 19600 5924 1 19 . 1 1 13 13 SER CA C 13 56.906 56.906 56.928 -0.023 19600 5925 1 19 . 1 1 13 13 SER CB C 13 65.860 65.860 66.450 -0.590 19600 5926 1 19 . 1 1 13 13 SER H H 13 8.976 8.976 8.255 0.721 19600 5927 1 19 . 1 1 14 14 ARG N N 14 121.463 121.463 121.863 -0.400 19600 5928 1 19 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.324 -0.574 19600 5929 1 19 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.494 1.484 19600 5930 1 19 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.323 -0.878 19600 5931 1 19 . 1 1 14 14 ARG H H 14 8.824 8.824 8.807 0.017 19600 5932 1 19 . 1 1 15 15 GLN N N 15 117.760 117.760 119.578 -1.818 19600 5933 1 19 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.949 -0.132 19600 5934 1 19 . 1 1 15 15 GLN CA C 15 59.606 59.606 60.345 -0.739 19600 5935 1 19 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.641 0.589 19600 5936 1 19 . 1 1 15 15 GLN H H 15 8.341 8.341 8.625 -0.284 19600 5937 1 19 . 1 1 16 16 GLN N N 16 117.933 117.933 116.878 1.055 19600 5938 1 19 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.035 -0.533 19600 5939 1 19 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.528 1.005 19600 5940 1 19 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.285 0.145 19600 5941 1 19 . 1 1 16 16 GLN H H 16 7.487 7.487 8.412 -0.925 19600 5942 1 19 . 1 1 17 17 LEU N N 17 117.025 117.025 116.295 0.730 19600 5943 1 19 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.460 -1.088 19600 5944 1 19 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.656 2.106 19600 5945 1 19 . 1 1 17 17 LEU CB C 17 41.492 41.492 42.240 -0.748 19600 5946 1 19 . 1 1 17 17 LEU H H 17 8.070 8.070 7.610 0.460 19600 5947 1 19 . 1 1 18 18 GLU N N 18 118.469 118.469 121.224 -2.755 19600 5948 1 19 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.159 -0.429 19600 5949 1 19 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.389 0.378 19600 5950 1 19 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.522 0.029 19600 5951 1 19 . 1 1 18 18 GLU H H 18 7.857 7.857 7.977 -0.120 19600 5952 1 19 . 1 1 19 19 ILE N N 19 121.154 121.154 118.857 2.297 19600 5953 1 19 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.765 -0.345 19600 5954 1 19 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.825 -1.288 19600 5955 1 19 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.596 0.095 19600 5956 1 19 . 1 1 19 19 ILE H H 19 7.076 7.076 7.736 -0.660 19600 5957 1 19 . 1 1 20 20 LEU N N 20 122.911 122.911 117.255 5.656 19600 5958 1 19 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.558 -1.234 19600 5959 1 19 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.772 1.945 19600 5960 1 19 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.140 -1.578 19600 5961 1 19 . 1 1 20 20 LEU H H 20 7.600 7.600 7.300 0.300 19600 5962 1 19 . 1 1 21 21 GLU N N 21 118.448 118.448 119.022 -0.574 19600 5963 1 19 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.140 -0.128 19600 5964 1 19 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.352 -0.424 19600 5965 1 19 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.547 -0.406 19600 5966 1 19 . 1 1 21 21 GLU H H 21 8.354 8.354 8.212 0.142 19600 5967 1 19 . 1 1 22 22 THR N N 22 116.336 116.336 113.197 3.139 19600 5968 1 19 . 1 1 22 22 THR HA H 22 3.745 3.745 4.335 -0.590 19600 5969 1 19 . 1 1 22 22 THR CA C 22 67.433 67.433 65.450 1.983 19600 5970 1 19 . 1 1 22 22 THR CB C 22 68.490 68.490 69.972 -1.482 19600 5971 1 19 . 1 1 22 22 THR H H 22 7.703 7.703 8.362 -0.659 19600 5972 1 19 . 1 1 23 23 LEU N N 23 123.532 123.532 123.177 0.355 19600 5973 1 19 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.205 -0.006 19600 5974 1 19 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.074 0.221 19600 5975 1 19 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.068 -1.231 19600 5976 1 19 . 1 1 23 23 LEU H H 23 7.501 7.501 7.703 -0.202 19600 5977 1 19 . 1 1 24 24 PHE N N 24 120.756 120.756 119.163 1.593 19600 5978 1 19 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.260 0.175 19600 5979 1 19 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.919 0.413 19600 5980 1 19 . 1 1 24 24 PHE CB C 24 38.978 38.978 39.027 -0.049 19600 5981 1 19 . 1 1 24 24 PHE H H 24 8.708 8.708 8.266 0.442 19600 5982 1 19 . 1 1 25 25 ASN N N 25 113.604 113.604 116.214 -2.610 19600 5983 1 19 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.417 -0.343 19600 5984 1 19 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.719 0.629 19600 5985 1 19 . 1 1 25 25 ASN CB C 25 38.800 38.800 38.954 -0.154 19600 5986 1 19 . 1 1 25 25 ASN H H 25 7.827 7.827 7.931 -0.104 19600 5987 1 19 . 1 1 26 26 GLU N N 26 120.985 120.985 119.906 1.079 19600 5988 1 19 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.164 -0.193 19600 5989 1 19 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.307 0.194 19600 5990 1 19 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.432 -0.344 19600 5991 1 19 . 1 1 26 26 GLU H H 26 7.532 7.532 7.851 -0.319 19600 5992 1 19 . 1 1 27 27 THR N N 27 115.986 115.986 107.860 8.126 19600 5993 1 19 . 1 1 27 27 THR HA H 27 4.085 4.085 4.501 -0.416 19600 5994 1 19 . 1 1 27 27 THR CA C 27 59.365 59.365 61.587 -2.222 19600 5995 1 19 . 1 1 27 27 THR CB C 27 69.151 69.151 69.949 -0.798 19600 5996 1 19 . 1 1 27 27 THR H H 27 8.719 8.719 8.009 0.710 19600 5997 1 19 . 1 1 28 28 GLN N N 28 122.144 122.144 120.380 1.764 19600 5998 1 19 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.560 -0.906 19600 5999 1 19 . 1 1 28 28 GLN CA C 28 57.220 57.220 56.101 1.119 19600 6000 1 19 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.447 -1.387 19600 6001 1 19 . 1 1 28 28 GLN H H 28 7.963 7.963 8.680 -0.717 19600 6002 1 19 . 1 1 29 29 TYR N N 29 114.355 114.355 120.468 -6.113 19600 6003 1 19 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.891 -0.462 19600 6004 1 19 . 1 1 29 29 TYR CA C 29 55.457 55.457 54.430 1.027 19600 6005 1 19 . 1 1 29 29 TYR CB C 29 38.997 38.997 38.532 0.465 19600 6006 1 19 . 1 1 29 29 TYR H H 29 7.680 7.680 8.074 -0.394 19600 6007 1 19 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.286 -0.212 19600 6008 1 19 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.022 -0.619 19600 6009 1 19 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.770 0.916 19600 6010 1 19 . 1 1 31 31 ASP N N 31 123.957 123.957 122.370 1.587 19600 6011 1 19 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.844 -0.653 19600 6012 1 19 . 1 1 31 31 ASP CA C 31 52.813 52.813 53.003 -0.190 19600 6013 1 19 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.421 -3.334 19600 6014 1 19 . 1 1 31 31 ASP H H 31 8.496 8.496 7.869 0.627 19600 6015 1 19 . 1 1 32 32 VAL N N 32 117.950 117.950 119.867 -1.917 19600 6016 1 19 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.710 -0.512 19600 6017 1 19 . 1 1 32 32 VAL CA C 32 66.250 66.250 66.019 0.231 19600 6018 1 19 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.666 -0.173 19600 6019 1 19 . 1 1 32 32 VAL H H 32 8.162 8.162 8.563 -0.401 19600 6020 1 19 . 1 1 33 33 PHE N N 33 120.199 120.199 119.076 1.123 19600 6021 1 19 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.158 -0.122 19600 6022 1 19 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.144 -0.630 19600 6023 1 19 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.161 -0.228 19600 6024 1 19 . 1 1 33 33 PHE H H 33 6.841 6.841 8.513 -1.672 19600 6025 1 19 . 1 1 34 34 ALA N N 34 123.742 123.742 121.187 2.555 19600 6026 1 19 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.054 -0.172 19600 6027 1 19 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.108 1.034 19600 6028 1 19 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.259 -0.700 19600 6029 1 19 . 1 1 34 34 ALA H H 34 8.139 8.139 7.957 0.182 19600 6030 1 19 . 1 1 35 35 ARG N N 35 116.197 116.197 118.366 -2.169 19600 6031 1 19 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.826 -0.272 19600 6032 1 19 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.213 1.534 19600 6033 1 19 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.589 1.581 19600 6034 1 19 . 1 1 35 35 ARG H H 35 8.281 8.281 7.998 0.283 19600 6035 1 19 . 1 1 36 36 GLU N N 36 119.133 119.133 118.159 0.974 19600 6036 1 19 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.996 -0.299 19600 6037 1 19 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.791 0.919 19600 6038 1 19 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.454 -0.004 19600 6039 1 19 . 1 1 36 36 GLU H H 36 8.382 8.382 8.433 -0.051 19600 6040 1 19 . 1 1 37 37 ARG N N 37 119.597 119.597 118.739 0.858 19600 6041 1 19 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.160 -0.248 19600 6042 1 19 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.923 0.770 19600 6043 1 19 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.634 -0.631 19600 6044 1 19 . 1 1 37 37 ARG H H 37 7.707 7.707 7.578 0.129 19600 6045 1 19 . 1 1 38 38 VAL N N 38 119.099 119.099 117.452 1.647 19600 6046 1 19 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.685 0.090 19600 6047 1 19 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.853 -0.034 19600 6048 1 19 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.979 0.664 19600 6049 1 19 . 1 1 38 38 VAL H H 38 7.630 7.630 8.032 -0.402 19600 6050 1 19 . 1 1 39 39 ALA N N 39 124.624 124.624 122.200 2.424 19600 6051 1 19 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.992 -0.301 19600 6052 1 19 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.044 1.370 19600 6053 1 19 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.187 0.063 19600 6054 1 19 . 1 1 39 39 ALA H H 39 8.196 8.196 7.959 0.237 19600 6055 1 19 . 1 1 40 40 ASP N N 40 115.786 115.786 115.844 -0.058 19600 6056 1 19 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.652 -0.455 19600 6057 1 19 . 1 1 40 40 ASP CA C 40 56.815 56.815 56.141 0.674 19600 6058 1 19 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.253 0.054 19600 6059 1 19 . 1 1 40 40 ASP H H 40 7.510 7.510 8.196 -0.686 19600 6060 1 19 . 1 1 41 41 GLN N N 41 118.952 118.952 118.136 0.816 19600 6061 1 19 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.228 -0.393 19600 6062 1 19 . 1 1 41 41 GLN CA C 41 59.319 59.319 58.031 1.288 19600 6063 1 19 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.482 0.083 19600 6064 1 19 . 1 1 41 41 GLN H H 41 7.643 7.643 7.827 -0.184 19600 6065 1 19 . 1 1 42 42 ILE N N 42 108.381 108.381 113.252 -4.871 19600 6066 1 19 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.282 0.110 19600 6067 1 19 . 1 1 42 42 ILE CA C 42 60.792 60.792 60.978 -0.186 19600 6068 1 19 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.661 -0.219 19600 6069 1 19 . 1 1 42 42 ILE H H 42 8.076 8.076 7.684 0.392 19600 6070 1 19 . 1 1 43 43 ARG N N 43 119.055 119.055 119.140 -0.085 19600 6071 1 19 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.074 -0.336 19600 6072 1 19 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.547 0.276 19600 6073 1 19 . 1 1 43 43 ARG CB C 43 26.066 26.066 28.000 -1.934 19600 6074 1 19 . 1 1 43 43 ARG H H 43 7.588 7.588 7.565 0.023 19600 6075 1 19 . 1 1 44 44 LEU N N 44 119.135 119.135 119.206 -0.071 19600 6076 1 19 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.670 -0.102 19600 6077 1 19 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.563 -0.567 19600 6078 1 19 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.295 2.305 19600 6079 1 19 . 1 1 44 44 LEU H H 44 7.648 7.648 8.411 -0.763 19600 6080 1 19 . 1 1 45 45 GLN N N 45 118.784 118.784 120.190 -1.406 19600 6081 1 19 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.262 -0.197 19600 6082 1 19 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.393 -0.066 19600 6083 1 19 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.502 0.300 19600 6084 1 19 . 1 1 45 45 GLN H H 45 8.107 8.107 8.425 -0.318 19600 6085 1 19 . 1 1 46 46 GLU N N 46 125.074 125.074 123.644 1.430 19600 6086 1 19 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.047 -0.504 19600 6087 1 19 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.316 1.847 19600 6088 1 19 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.599 -0.963 19600 6089 1 19 . 1 1 46 46 GLU H H 46 9.097 9.097 8.859 0.238 19600 6090 1 19 . 1 1 47 47 SER N N 47 113.706 113.706 113.991 -0.285 19600 6091 1 19 . 1 1 47 47 SER HA H 47 3.828 3.828 4.229 -0.401 19600 6092 1 19 . 1 1 47 47 SER CA C 47 61.464 61.464 60.664 0.800 19600 6093 1 19 . 1 1 47 47 SER CB C 47 61.867 61.867 63.138 -1.271 19600 6094 1 19 . 1 1 47 47 SER H H 47 8.533 8.533 8.192 0.341 19600 6095 1 19 . 1 1 48 48 ARG N N 48 121.795 121.795 120.696 1.099 19600 6096 1 19 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.094 -0.046 19600 6097 1 19 . 1 1 48 48 ARG CA C 48 58.156 58.156 57.882 0.274 19600 6098 1 19 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.748 -0.273 19600 6099 1 19 . 1 1 48 48 ARG H H 48 7.153 7.153 7.917 -0.764 19600 6100 1 19 . 1 1 49 49 ILE N N 49 121.647 121.647 121.098 0.549 19600 6101 1 19 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.857 -0.222 19600 6102 1 19 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.215 0.298 19600 6103 1 19 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.766 -0.943 19600 6104 1 19 . 1 1 49 49 ILE H H 49 7.613 7.613 7.999 -0.386 19600 6105 1 19 . 1 1 50 50 GLN N N 50 118.579 118.579 118.094 0.485 19600 6106 1 19 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.096 0.037 19600 6107 1 19 . 1 1 50 50 GLN CA C 50 60.473 60.473 58.656 1.817 19600 6108 1 19 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.537 0.495 19600 6109 1 19 . 1 1 50 50 GLN H H 50 8.051 8.051 7.946 0.105 19600 6110 1 19 . 1 1 51 51 VAL N N 51 120.580 120.580 113.511 7.069 19600 6111 1 19 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.877 -0.434 19600 6112 1 19 . 1 1 51 51 VAL CA C 51 67.087 67.087 64.920 2.167 19600 6113 1 19 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.338 0.940 19600 6114 1 19 . 1 1 51 51 VAL H H 51 7.372 7.372 7.846 -0.474 19600 6115 1 19 . 1 1 52 52 TRP N N 52 121.485 121.485 120.461 1.024 19600 6116 1 19 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.587 -0.813 19600 6117 1 19 . 1 1 52 52 TRP CA C 52 63.502 63.502 57.806 5.696 19600 6118 1 19 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.799 -1.411 19600 6119 1 19 . 1 1 52 52 TRP H H 52 8.135 8.135 7.024 1.111 19600 6120 1 19 . 1 1 53 53 PHE N N 53 118.122 118.122 121.258 -3.136 19600 6121 1 19 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.190 -0.769 19600 6122 1 19 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.127 3.860 19600 6123 1 19 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.033 0.319 19600 6124 1 19 . 1 1 53 53 PHE H H 53 8.764 8.764 8.355 0.409 19600 6125 1 19 . 1 1 54 54 LYS N N 54 120.838 120.838 118.565 2.273 19600 6126 1 19 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.858 -0.143 19600 6127 1 19 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.033 3.644 19600 6128 1 19 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.398 -0.207 19600 6129 1 19 . 1 1 54 54 LYS H H 54 7.947 7.947 7.611 0.336 19600 6130 1 19 . 1 1 55 55 ASN N N 55 118.986 118.986 119.715 -0.729 19600 6131 1 19 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.366 -0.245 19600 6132 1 19 . 1 1 55 55 ASN CA C 55 55.695 55.695 57.094 -1.399 19600 6133 1 19 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.523 -0.783 19600 6134 1 19 . 1 1 55 55 ASN H H 55 7.953 7.953 8.462 -0.509 19600 6135 1 19 . 1 1 56 56 ARG N N 56 124.991 124.991 119.656 5.335 19600 6136 1 19 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.121 -0.839 19600 6137 1 19 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.831 -0.983 19600 6138 1 19 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.259 -2.587 19600 6139 1 19 . 1 1 56 56 ARG H H 56 8.263 8.263 8.209 0.054 19600 6140 1 19 . 1 1 57 57 ARG N N 57 120.173 120.173 119.861 0.312 19600 6141 1 19 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.479 0.310 19600 6142 1 19 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.329 2.850 19600 6143 1 19 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.290 2.235 19600 6144 1 19 . 1 1 57 57 ARG H H 57 8.343 8.343 7.587 0.756 19600 6145 1 19 . 1 1 58 58 ALA N N 58 121.602 121.602 119.644 1.958 19600 6146 1 19 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.459 -0.548 19600 6147 1 19 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.746 1.595 19600 6148 1 19 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.162 -1.386 19600 6149 1 19 . 1 1 58 58 ALA H H 58 7.179 7.179 8.011 -0.832 19600 6150 1 19 . 1 1 59 59 LYS N N 59 119.515 119.515 120.753 -1.238 19600 6151 1 19 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.978 -0.248 19600 6152 1 19 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.499 0.826 19600 6153 1 19 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.810 0.763 19600 6154 1 19 . 1 1 59 59 LYS H H 59 7.463 7.463 7.657 -0.194 19600 6155 1 19 . 1 1 60 60 TYR N N 60 120.152 120.152 118.735 1.417 19600 6156 1 19 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.032 0.128 19600 6157 1 19 . 1 1 60 60 TYR CA C 60 61.014 61.014 60.077 0.937 19600 6158 1 19 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.473 1.337 19600 6159 1 19 . 1 1 60 60 TYR H H 60 7.874 7.874 7.877 -0.003 19600 6160 1 19 . 1 1 61 61 ARG N N 61 118.122 118.122 117.336 0.786 19600 6161 1 19 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.587 0.244 19600 6162 1 19 . 1 1 61 61 ARG CA C 61 59.199 59.199 57.631 1.568 19600 6163 1 19 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.469 0.841 19600 6164 1 19 . 1 1 61 61 ARG H H 61 7.943 7.943 7.727 0.216 19600 6165 1 19 . 1 1 62 62 LEU N N 62 119.191 119.191 121.387 -2.196 19600 6166 1 19 . 1 1 62 62 LEU HA H 62 3.930 3.930 3.993 -0.063 19600 6167 1 19 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.367 -0.246 19600 6168 1 19 . 1 1 62 62 LEU CB C 62 42.109 42.109 42.000 0.109 19600 6169 1 19 . 1 1 62 62 LEU H H 62 7.407 7.407 7.759 -0.352 19600 6170 1 19 . 1 1 63 63 GLN N N 63 118.201 118.201 116.598 1.603 19600 6171 1 19 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.037 -0.164 19600 6172 1 19 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.164 -0.826 19600 6173 1 19 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.213 0.658 19600 6174 1 19 . 1 1 63 63 GLN H H 63 7.676 7.676 8.149 -0.473 19600 6175 1 19 . 1 1 64 64 GLU N N 64 120.152 120.152 122.350 -2.198 19600 6176 1 19 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.998 -0.198 19600 6177 1 19 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.142 -1.639 19600 6178 1 19 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.614 0.573 19600 6179 1 19 . 1 1 64 64 GLU H H 64 7.808 7.808 7.581 0.227 19600 6180 1 19 . 1 1 65 65 LYS N N 65 120.364 120.364 116.386 3.978 19600 6181 1 19 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.034 -0.048 19600 6182 1 19 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.312 -1.441 19600 6183 1 19 . 1 1 65 65 LYS CB C 65 32.473 32.473 31.753 0.720 19600 6184 1 19 . 1 1 65 65 LYS H H 65 7.695 7.695 7.540 0.155 19600 6185 1 19 . 1 1 66 66 GLN N N 66 120.265 120.265 119.714 0.551 19600 6186 1 19 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.066 -0.038 19600 6187 1 19 . 1 1 66 66 GLN CA C 66 55.796 55.796 58.002 -2.206 19600 6188 1 19 . 1 1 66 66 GLN CB C 66 29.299 29.299 28.951 0.348 19600 6189 1 19 . 1 1 66 66 GLN H H 66 7.906 7.906 7.668 0.238 19600 6190 1 19 . 1 1 67 67 LYS N N 67 124.357 124.357 119.064 5.293 19600 6191 1 19 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.342 -0.026 19600 6192 1 19 . 1 1 67 67 LYS CA C 67 54.596 54.596 55.643 -1.047 19600 6193 1 19 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.365 0.092 19600 6194 1 19 . 1 1 67 67 LYS H H 67 7.963 7.963 7.622 0.341 19600 6195 1 20 . 1 1 2 2 PRO HA H 2 4.234 4.234 4.554 -0.320 19600 6196 1 20 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.779 0.437 19600 6197 1 20 . 1 1 2 2 PRO CB C 2 32.566 32.566 31.097 1.469 19600 6198 1 20 . 1 1 3 3 ARG N N 3 122.101 122.101 119.564 2.537 19600 6199 1 20 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.646 -0.595 19600 6200 1 20 . 1 1 3 3 ARG CA C 3 56.508 56.508 55.932 0.576 19600 6201 1 20 . 1 1 3 3 ARG CB C 3 30.742 30.742 31.996 -1.254 19600 6202 1 20 . 1 1 3 3 ARG H H 3 8.377 8.377 8.976 -0.599 19600 6203 1 20 . 1 1 4 4 LYS N N 4 123.421 123.421 121.116 2.305 19600 6204 1 20 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.472 -0.452 19600 6205 1 20 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.797 -1.215 19600 6206 1 20 . 1 1 4 4 LYS CB C 4 33.202 33.202 34.314 -1.112 19600 6207 1 20 . 1 1 4 4 LYS H H 4 8.278 8.278 9.204 -0.926 19600 6208 1 20 . 1 1 5 5 ASN N N 5 120.133 120.133 116.869 3.264 19600 6209 1 20 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.886 -0.466 19600 6210 1 20 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.527 -0.155 19600 6211 1 20 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.824 -0.928 19600 6212 1 20 . 1 1 5 5 ASN H H 5 8.318 8.318 8.840 -0.522 19600 6213 1 20 . 1 1 6 6 ARG N N 6 121.990 121.990 121.619 0.371 19600 6214 1 20 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.653 -0.614 19600 6215 1 20 . 1 1 6 6 ARG CA C 6 56.539 56.539 55.630 0.909 19600 6216 1 20 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.389 0.340 19600 6217 1 20 . 1 1 6 6 ARG H H 6 8.185 8.185 8.175 0.010 19600 6218 1 20 . 1 1 7 7 ARG N N 7 122.520 122.520 120.043 2.477 19600 6219 1 20 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.153 -0.143 19600 6220 1 20 . 1 1 7 7 ARG CA C 7 56.473 56.473 57.623 -1.150 19600 6221 1 20 . 1 1 7 7 ARG CB C 7 30.901 30.901 30.817 0.084 19600 6222 1 20 . 1 1 7 7 ARG H H 7 8.237 8.237 8.583 -0.346 19600 6223 1 20 . 1 1 8 8 GLU N N 8 121.543 121.543 119.032 2.511 19600 6224 1 20 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.029 -0.010 19600 6225 1 20 . 1 1 8 8 GLU CA C 8 56.546 56.546 54.512 2.034 19600 6226 1 20 . 1 1 8 8 GLU CB C 8 30.559 30.559 31.318 -0.759 19600 6227 1 20 . 1 1 8 8 GLU H H 8 7.971 7.971 8.500 -0.529 19600 6228 1 20 . 1 1 9 9 ARG N N 9 122.730 122.730 118.681 4.049 19600 6229 1 20 . 1 1 9 9 ARG HA H 9 4.151 4.151 3.936 0.215 19600 6230 1 20 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.471 -2.076 19600 6231 1 20 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.044 0.909 19600 6232 1 20 . 1 1 9 9 ARG H H 9 8.290 8.290 8.390 -0.100 19600 6233 1 20 . 1 1 10 10 THR N N 10 116.410 116.410 106.437 9.973 19600 6234 1 20 . 1 1 10 10 THR HA H 10 4.073 4.073 4.301 -0.228 19600 6235 1 20 . 1 1 10 10 THR CA C 10 62.073 62.073 60.743 1.330 19600 6236 1 20 . 1 1 10 10 THR CB C 10 70.102 70.102 69.407 0.695 19600 6237 1 20 . 1 1 10 10 THR H H 10 8.132 8.132 7.294 0.838 19600 6238 1 20 . 1 1 11 11 THR N N 11 117.607 117.607 112.373 5.234 19600 6239 1 20 . 1 1 11 11 THR HA H 11 4.101 4.101 4.158 -0.057 19600 6240 1 20 . 1 1 11 11 THR CA C 11 61.581 61.581 64.459 -2.878 19600 6241 1 20 . 1 1 11 11 THR CB C 11 70.193 70.193 68.925 1.268 19600 6242 1 20 . 1 1 11 11 THR H H 11 7.868 7.868 8.069 -0.201 19600 6243 1 20 . 1 1 12 12 TYR N N 12 122.200 122.200 114.035 8.165 19600 6244 1 20 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.826 -0.228 19600 6245 1 20 . 1 1 12 12 TYR CA C 12 57.101 57.101 56.216 0.885 19600 6246 1 20 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.330 1.187 19600 6247 1 20 . 1 1 12 12 TYR H H 12 8.053 8.053 7.189 0.864 19600 6248 1 20 . 1 1 13 13 SER N N 13 119.084 119.084 117.875 1.209 19600 6249 1 20 . 1 1 13 13 SER HA H 13 4.340 4.340 4.860 -0.520 19600 6250 1 20 . 1 1 13 13 SER CA C 13 56.906 56.906 56.987 -0.082 19600 6251 1 20 . 1 1 13 13 SER CB C 13 65.860 65.860 66.171 -0.311 19600 6252 1 20 . 1 1 13 13 SER H H 13 8.976 8.976 8.330 0.646 19600 6253 1 20 . 1 1 14 14 ARG N N 14 121.463 121.463 121.937 -0.474 19600 6254 1 20 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.314 -0.564 19600 6255 1 20 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.374 1.604 19600 6256 1 20 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.309 -0.864 19600 6257 1 20 . 1 1 14 14 ARG H H 14 8.824 8.824 8.936 -0.112 19600 6258 1 20 . 1 1 15 15 GLN N N 15 117.760 117.760 118.999 -1.239 19600 6259 1 20 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.876 -0.059 19600 6260 1 20 . 1 1 15 15 GLN CA C 15 59.606 59.606 60.136 -0.531 19600 6261 1 20 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.579 0.651 19600 6262 1 20 . 1 1 15 15 GLN H H 15 8.341 8.341 8.670 -0.329 19600 6263 1 20 . 1 1 16 16 GLN N N 16 117.933 117.933 116.729 1.204 19600 6264 1 20 . 1 1 16 16 GLN HA H 16 3.502 3.502 3.958 -0.456 19600 6265 1 20 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.243 1.290 19600 6266 1 20 . 1 1 16 16 GLN CB C 16 28.430 28.430 27.836 0.594 19600 6267 1 20 . 1 1 16 16 GLN H H 16 7.487 7.487 8.445 -0.958 19600 6268 1 20 . 1 1 17 17 LEU N N 17 117.025 117.025 117.297 -0.272 19600 6269 1 20 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.400 -1.028 19600 6270 1 20 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.721 2.040 19600 6271 1 20 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.955 -0.463 19600 6272 1 20 . 1 1 17 17 LEU H H 17 8.070 8.070 7.441 0.629 19600 6273 1 20 . 1 1 18 18 GLU N N 18 118.469 118.469 121.310 -2.841 19600 6274 1 20 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.146 -0.416 19600 6275 1 20 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.442 0.325 19600 6276 1 20 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.570 -0.019 19600 6277 1 20 . 1 1 18 18 GLU H H 18 7.857 7.857 7.927 -0.070 19600 6278 1 20 . 1 1 19 19 ILE N N 19 121.154 121.154 118.891 2.263 19600 6279 1 20 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.744 -0.324 19600 6280 1 20 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.843 -1.306 19600 6281 1 20 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.573 0.118 19600 6282 1 20 . 1 1 19 19 ILE H H 19 7.076 7.076 7.731 -0.655 19600 6283 1 20 . 1 1 20 20 LEU N N 20 122.911 122.911 117.167 5.744 19600 6284 1 20 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.612 -1.288 19600 6285 1 20 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.736 1.981 19600 6286 1 20 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.180 -1.618 19600 6287 1 20 . 1 1 20 20 LEU H H 20 7.600 7.600 7.307 0.293 19600 6288 1 20 . 1 1 21 21 GLU N N 21 118.448 118.448 120.121 -1.673 19600 6289 1 20 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.128 -0.116 19600 6290 1 20 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.406 -0.478 19600 6291 1 20 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.640 -0.498 19600 6292 1 20 . 1 1 21 21 GLU H H 21 8.354 8.354 7.987 0.367 19600 6293 1 20 . 1 1 22 22 THR N N 22 116.336 116.336 113.202 3.134 19600 6294 1 20 . 1 1 22 22 THR HA H 22 3.745 3.745 4.287 -0.542 19600 6295 1 20 . 1 1 22 22 THR CA C 22 67.433 67.433 65.779 1.654 19600 6296 1 20 . 1 1 22 22 THR CB C 22 68.490 68.490 69.489 -0.999 19600 6297 1 20 . 1 1 22 22 THR H H 22 7.703 7.703 8.462 -0.759 19600 6298 1 20 . 1 1 23 23 LEU N N 23 123.532 123.532 123.212 0.320 19600 6299 1 20 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.143 0.056 19600 6300 1 20 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.053 0.242 19600 6301 1 20 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.071 -1.234 19600 6302 1 20 . 1 1 23 23 LEU H H 23 7.501 7.501 7.710 -0.209 19600 6303 1 20 . 1 1 24 24 PHE N N 24 120.756 120.756 118.681 2.075 19600 6304 1 20 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.234 0.201 19600 6305 1 20 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.907 0.425 19600 6306 1 20 . 1 1 24 24 PHE CB C 24 38.978 38.978 39.074 -0.096 19600 6307 1 20 . 1 1 24 24 PHE H H 24 8.708 8.708 8.320 0.388 19600 6308 1 20 . 1 1 25 25 ASN N N 25 113.604 113.604 116.159 -2.555 19600 6309 1 20 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.529 -0.455 19600 6310 1 20 . 1 1 25 25 ASN CA C 25 55.349 55.349 55.052 0.297 19600 6311 1 20 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.237 -0.437 19600 6312 1 20 . 1 1 25 25 ASN H H 25 7.827 7.827 7.932 -0.105 19600 6313 1 20 . 1 1 26 26 GLU N N 26 120.985 120.985 119.666 1.319 19600 6314 1 20 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.136 -0.165 19600 6315 1 20 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.714 -0.213 19600 6316 1 20 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.285 -0.197 19600 6317 1 20 . 1 1 26 26 GLU H H 26 7.532 7.532 8.221 -0.689 19600 6318 1 20 . 1 1 27 27 THR N N 27 115.986 115.986 107.599 8.387 19600 6319 1 20 . 1 1 27 27 THR HA H 27 4.085 4.085 4.350 -0.265 19600 6320 1 20 . 1 1 27 27 THR CA C 27 59.365 59.365 61.191 -1.826 19600 6321 1 20 . 1 1 27 27 THR CB C 27 69.151 69.151 69.686 -0.535 19600 6322 1 20 . 1 1 27 27 THR H H 27 8.719 8.719 7.918 0.801 19600 6323 1 20 . 1 1 28 28 GLN N N 28 122.144 122.144 119.473 2.671 19600 6324 1 20 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.354 -0.700 19600 6325 1 20 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.176 2.044 19600 6326 1 20 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.757 -1.697 19600 6327 1 20 . 1 1 28 28 GLN H H 28 7.963 7.963 8.043 -0.080 19600 6328 1 20 . 1 1 29 29 TYR N N 29 114.355 114.355 119.886 -5.531 19600 6329 1 20 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.893 -0.464 19600 6330 1 20 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.772 1.685 19600 6331 1 20 . 1 1 29 29 TYR CB C 29 38.997 38.997 38.099 0.898 19600 6332 1 20 . 1 1 29 29 TYR H H 29 7.680 7.680 7.720 -0.040 19600 6333 1 20 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.364 -0.290 19600 6334 1 20 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.108 -0.705 19600 6335 1 20 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.873 0.813 19600 6336 1 20 . 1 1 31 31 ASP N N 31 123.957 123.957 122.570 1.387 19600 6337 1 20 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.842 -0.651 19600 6338 1 20 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.959 -0.146 19600 6339 1 20 . 1 1 31 31 ASP CB C 31 41.087 41.087 45.190 -4.103 19600 6340 1 20 . 1 1 31 31 ASP H H 31 8.496 8.496 8.033 0.463 19600 6341 1 20 . 1 1 32 32 VAL N N 32 117.950 117.950 118.548 -0.598 19600 6342 1 20 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.693 -0.495 19600 6343 1 20 . 1 1 32 32 VAL CA C 32 66.250 66.250 65.849 0.401 19600 6344 1 20 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.557 -0.064 19600 6345 1 20 . 1 1 32 32 VAL H H 32 8.162 8.162 8.428 -0.266 19600 6346 1 20 . 1 1 33 33 PHE N N 33 120.199 120.199 118.661 1.538 19600 6347 1 20 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.251 -0.215 19600 6348 1 20 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.083 -0.569 19600 6349 1 20 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.400 -0.467 19600 6350 1 20 . 1 1 33 33 PHE H H 33 6.841 6.841 8.468 -1.627 19600 6351 1 20 . 1 1 34 34 ALA N N 34 123.742 123.742 121.466 2.276 19600 6352 1 20 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.167 -0.285 19600 6353 1 20 . 1 1 34 34 ALA CA C 34 55.142 55.142 53.991 1.151 19600 6354 1 20 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.149 -0.590 19600 6355 1 20 . 1 1 34 34 ALA H H 34 8.139 8.139 8.035 0.104 19600 6356 1 20 . 1 1 35 35 ARG N N 35 116.197 116.197 118.480 -2.283 19600 6357 1 20 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.816 -0.262 19600 6358 1 20 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.212 1.535 19600 6359 1 20 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.546 1.624 19600 6360 1 20 . 1 1 35 35 ARG H H 35 8.281 8.281 7.780 0.501 19600 6361 1 20 . 1 1 36 36 GLU N N 36 119.133 119.133 118.179 0.954 19600 6362 1 20 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.997 -0.300 19600 6363 1 20 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.719 0.991 19600 6364 1 20 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.451 -0.001 19600 6365 1 20 . 1 1 36 36 GLU H H 36 8.382 8.382 8.298 0.084 19600 6366 1 20 . 1 1 37 37 ARG N N 37 119.597 119.597 118.812 0.785 19600 6367 1 20 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.185 -0.273 19600 6368 1 20 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.780 0.913 19600 6369 1 20 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.855 -0.852 19600 6370 1 20 . 1 1 37 37 ARG H H 37 7.707 7.707 7.559 0.148 19600 6371 1 20 . 1 1 38 38 VAL N N 38 119.099 119.099 118.214 0.885 19600 6372 1 20 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.721 0.054 19600 6373 1 20 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.571 0.248 19600 6374 1 20 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.493 1.150 19600 6375 1 20 . 1 1 38 38 VAL H H 38 7.630 7.630 8.115 -0.485 19600 6376 1 20 . 1 1 39 39 ALA N N 39 124.624 124.624 123.068 1.556 19600 6377 1 20 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.969 -0.278 19600 6378 1 20 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.056 1.358 19600 6379 1 20 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.349 -0.098 19600 6380 1 20 . 1 1 39 39 ALA H H 39 8.196 8.196 8.048 0.148 19600 6381 1 20 . 1 1 40 40 ASP N N 40 115.786 115.786 116.264 -0.478 19600 6382 1 20 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.566 -0.369 19600 6383 1 20 . 1 1 40 40 ASP CA C 40 56.815 56.815 56.019 0.796 19600 6384 1 20 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.101 0.206 19600 6385 1 20 . 1 1 40 40 ASP H H 40 7.510 7.510 8.193 -0.683 19600 6386 1 20 . 1 1 41 41 GLN N N 41 118.952 118.952 118.589 0.363 19600 6387 1 20 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.189 -0.354 19600 6388 1 20 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.708 1.611 19600 6389 1 20 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.227 0.338 19600 6390 1 20 . 1 1 41 41 GLN H H 41 7.643 7.643 7.860 -0.217 19600 6391 1 20 . 1 1 42 42 ILE N N 42 108.381 108.381 112.270 -3.889 19600 6392 1 20 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.249 0.143 19600 6393 1 20 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.116 -0.324 19600 6394 1 20 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.736 -0.294 19600 6395 1 20 . 1 1 42 42 ILE H H 42 8.076 8.076 7.734 0.342 19600 6396 1 20 . 1 1 43 43 ARG N N 43 119.055 119.055 119.046 0.009 19600 6397 1 20 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.082 -0.344 19600 6398 1 20 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.415 0.408 19600 6399 1 20 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.793 -1.727 19600 6400 1 20 . 1 1 43 43 ARG H H 43 7.588 7.588 7.553 0.035 19600 6401 1 20 . 1 1 44 44 LEU N N 44 119.135 119.135 119.547 -0.412 19600 6402 1 20 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.741 -0.173 19600 6403 1 20 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.190 -0.194 19600 6404 1 20 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.109 2.491 19600 6405 1 20 . 1 1 44 44 LEU H H 44 7.648 7.648 8.297 -0.649 19600 6406 1 20 . 1 1 45 45 GLN N N 45 118.784 118.784 120.060 -1.276 19600 6407 1 20 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.253 -0.188 19600 6408 1 20 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.817 -0.490 19600 6409 1 20 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.502 0.300 19600 6410 1 20 . 1 1 45 45 GLN H H 45 8.107 8.107 8.434 -0.327 19600 6411 1 20 . 1 1 46 46 GLU N N 46 125.074 125.074 122.855 2.219 19600 6412 1 20 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.081 -0.538 19600 6413 1 20 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.107 2.056 19600 6414 1 20 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.459 -0.823 19600 6415 1 20 . 1 1 46 46 GLU H H 46 9.097 9.097 8.952 0.145 19600 6416 1 20 . 1 1 47 47 SER N N 47 113.706 113.706 114.221 -0.515 19600 6417 1 20 . 1 1 47 47 SER HA H 47 3.828 3.828 4.395 -0.567 19600 6418 1 20 . 1 1 47 47 SER CA C 47 61.464 61.464 59.490 1.974 19600 6419 1 20 . 1 1 47 47 SER CB C 47 61.867 61.867 63.022 -1.155 19600 6420 1 20 . 1 1 47 47 SER H H 47 8.533 8.533 8.086 0.447 19600 6421 1 20 . 1 1 48 48 ARG N N 48 121.795 121.795 120.966 0.829 19600 6422 1 20 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.179 -0.131 19600 6423 1 20 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.354 -0.198 19600 6424 1 20 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.498 -0.023 19600 6425 1 20 . 1 1 48 48 ARG H H 48 7.153 7.153 8.147 -0.994 19600 6426 1 20 . 1 1 49 49 ILE N N 49 121.647 121.647 121.307 0.340 19600 6427 1 20 . 1 1 49 49 ILE HA H 49 3.635 3.635 4.024 -0.389 19600 6428 1 20 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.265 0.248 19600 6429 1 20 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.734 -0.911 19600 6430 1 20 . 1 1 49 49 ILE H H 49 7.613 7.613 7.963 -0.350 19600 6431 1 20 . 1 1 50 50 GLN N N 50 118.579 118.579 118.625 -0.046 19600 6432 1 20 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.142 -0.009 19600 6433 1 20 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.307 1.166 19600 6434 1 20 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.364 0.668 19600 6435 1 20 . 1 1 50 50 GLN H H 50 8.051 8.051 8.242 -0.191 19600 6436 1 20 . 1 1 51 51 VAL N N 51 120.580 120.580 115.062 5.518 19600 6437 1 20 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.834 -0.391 19600 6438 1 20 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.900 1.187 19600 6439 1 20 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.306 0.972 19600 6440 1 20 . 1 1 51 51 VAL H H 51 7.372 7.372 7.624 -0.252 19600 6441 1 20 . 1 1 52 52 TRP N N 52 121.485 121.485 119.896 1.589 19600 6442 1 20 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.554 -0.780 19600 6443 1 20 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.035 4.467 19600 6444 1 20 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.745 -1.357 19600 6445 1 20 . 1 1 52 52 TRP H H 52 8.135 8.135 7.127 1.008 19600 6446 1 20 . 1 1 53 53 PHE N N 53 118.122 118.122 121.228 -3.106 19600 6447 1 20 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.223 -0.802 19600 6448 1 20 . 1 1 53 53 PHE CA C 53 63.987 63.987 59.869 4.118 19600 6449 1 20 . 1 1 53 53 PHE CB C 53 39.352 39.352 39.036 0.316 19600 6450 1 20 . 1 1 53 53 PHE H H 53 8.764 8.764 8.524 0.240 19600 6451 1 20 . 1 1 54 54 LYS N N 54 120.838 120.838 118.527 2.311 19600 6452 1 20 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.841 -0.126 19600 6453 1 20 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.396 3.281 19600 6454 1 20 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.414 -0.223 19600 6455 1 20 . 1 1 54 54 LYS H H 54 7.947 7.947 7.590 0.357 19600 6456 1 20 . 1 1 55 55 ASN N N 55 118.986 118.986 119.944 -0.958 19600 6457 1 20 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.533 -0.412 19600 6458 1 20 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.500 -0.805 19600 6459 1 20 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.372 -0.632 19600 6460 1 20 . 1 1 55 55 ASN H H 55 7.953 7.953 8.368 -0.415 19600 6461 1 20 . 1 1 56 56 ARG N N 56 124.991 124.991 119.822 5.169 19600 6462 1 20 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.120 -0.838 19600 6463 1 20 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.813 -0.965 19600 6464 1 20 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.225 -2.553 19600 6465 1 20 . 1 1 56 56 ARG H H 56 8.263 8.263 8.235 0.028 19600 6466 1 20 . 1 1 57 57 ARG N N 57 120.173 120.173 119.881 0.292 19600 6467 1 20 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.559 0.230 19600 6468 1 20 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.433 2.746 19600 6469 1 20 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.405 2.119 19600 6470 1 20 . 1 1 57 57 ARG H H 57 8.343 8.343 7.621 0.722 19600 6471 1 20 . 1 1 58 58 ALA N N 58 121.602 121.602 119.661 1.941 19600 6472 1 20 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.477 -0.566 19600 6473 1 20 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.773 1.568 19600 6474 1 20 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.145 -1.369 19600 6475 1 20 . 1 1 58 58 ALA H H 58 7.179 7.179 8.009 -0.830 19600 6476 1 20 . 1 1 59 59 LYS N N 59 119.515 119.515 120.749 -1.234 19600 6477 1 20 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.991 -0.261 19600 6478 1 20 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.200 1.125 19600 6479 1 20 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.680 0.893 19600 6480 1 20 . 1 1 59 59 LYS H H 59 7.463 7.463 7.666 -0.203 19600 6481 1 20 . 1 1 60 60 TYR N N 60 120.152 120.152 118.907 1.245 19600 6482 1 20 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.210 -0.050 19600 6483 1 20 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.989 1.025 19600 6484 1 20 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.282 1.528 19600 6485 1 20 . 1 1 60 60 TYR H H 60 7.874 7.874 7.877 -0.003 19600 6486 1 20 . 1 1 61 61 ARG N N 61 118.122 118.122 118.915 -0.793 19600 6487 1 20 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.547 0.284 19600 6488 1 20 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.636 0.563 19600 6489 1 20 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.924 0.386 19600 6490 1 20 . 1 1 61 61 ARG H H 61 7.943 7.943 7.430 0.513 19600 6491 1 20 . 1 1 62 62 LEU N N 62 119.191 119.191 120.079 -0.888 19600 6492 1 20 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.054 -0.124 19600 6493 1 20 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.698 -0.577 19600 6494 1 20 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.416 0.693 19600 6495 1 20 . 1 1 62 62 LEU H H 62 7.407 7.407 7.391 0.016 19600 6496 1 20 . 1 1 63 63 GLN N N 63 118.201 118.201 117.086 1.115 19600 6497 1 20 . 1 1 63 63 GLN HA H 63 3.873 3.873 4.033 -0.160 19600 6498 1 20 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.408 -1.070 19600 6499 1 20 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.187 0.684 19600 6500 1 20 . 1 1 63 63 GLN H H 63 7.676 7.676 8.459 -0.783 19600 6501 1 20 . 1 1 64 64 GLU N N 64 120.152 120.152 121.075 -0.923 19600 6502 1 20 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.933 -0.133 19600 6503 1 20 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.250 -1.747 19600 6504 1 20 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.443 0.744 19600 6505 1 20 . 1 1 64 64 GLU H H 64 7.808 7.808 7.430 0.378 19600 6506 1 20 . 1 1 65 65 LYS N N 65 120.364 120.364 116.828 3.536 19600 6507 1 20 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.065 -0.079 19600 6508 1 20 . 1 1 65 65 LYS CA C 65 56.871 56.871 58.169 -1.298 19600 6509 1 20 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.461 0.013 19600 6510 1 20 . 1 1 65 65 LYS H H 65 7.695 7.695 7.360 0.335 19600 6511 1 20 . 1 1 66 66 GLN N N 66 120.265 120.265 118.313 1.952 19600 6512 1 20 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.109 -0.081 19600 6513 1 20 . 1 1 66 66 GLN CA C 66 55.796 55.796 58.113 -2.317 19600 6514 1 20 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.430 -0.131 19600 6515 1 20 . 1 1 66 66 GLN H H 66 7.906 7.906 7.561 0.345 19600 6516 1 20 . 1 1 67 67 LYS N N 67 124.357 124.357 119.375 4.982 19600 6517 1 20 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.670 -0.354 19600 6518 1 20 . 1 1 67 67 LYS CA C 67 54.596 54.596 53.677 0.919 19600 6519 1 20 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.374 0.083 19600 6520 1 20 . 1 1 67 67 LYS H H 67 7.963 7.963 7.649 0.314 19600 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 64 3.180 -1.381 2.887 19600 2 1 1 "Average Difference" HA 66 0.429 0.304 0.306 19600 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19600 4 1 1 "Average Difference" CA 66 1.445 -0.503 1.365 19600 5 1 1 "Average Difference" CB 66 1.120 0.070 1.126 19600 6 1 1 "Average Difference" HN 64 0.485 0.052 0.486 19600 7 1 2 "Average Difference" N 64 2.731 -1.187 2.479 19600 8 1 2 "Average Difference" HA 66 0.405 0.270 0.304 19600 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19600 10 1 2 "Average Difference" CA 66 1.458 -0.502 1.379 19600 11 1 2 "Average Difference" CB 66 1.161 0.043 1.169 19600 12 1 2 "Average Difference" HN 64 0.503 -0.004 0.507 19600 13 1 3 "Average Difference" N 64 2.873 -1.198 2.632 19600 14 1 3 "Average Difference" HA 66 0.420 0.307 0.290 19600 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19600 16 1 3 "Average Difference" CA 66 1.548 -0.520 1.470 19600 17 1 3 "Average Difference" CB 66 1.084 0.055 1.091 19600 18 1 3 "Average Difference" HN 64 0.518 0.032 0.521 19600 19 1 4 "Average Difference" N 64 2.934 -1.093 2.744 19600 20 1 4 "Average Difference" HA 66 0.415 0.283 0.305 19600 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19600 22 1 4 "Average Difference" CA 66 1.552 -0.525 1.472 19600 23 1 4 "Average Difference" CB 66 1.112 0.101 1.115 19600 24 1 4 "Average Difference" HN 64 0.480 0.024 0.483 19600 25 1 5 "Average Difference" N 64 2.899 -1.158 2.679 19600 26 1 5 "Average Difference" HA 66 0.417 0.287 0.305 19600 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19600 28 1 5 "Average Difference" CA 66 1.463 -0.445 1.405 19600 29 1 5 "Average Difference" CB 66 1.067 0.088 1.071 19600 30 1 5 "Average Difference" HN 64 0.505 0.094 0.500 19600 31 1 6 "Average Difference" N 64 2.961 -1.079 2.779 19600 32 1 6 "Average Difference" HA 66 0.427 0.271 0.332 19600 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19600 34 1 6 "Average Difference" CA 66 1.533 -0.484 1.466 19600 35 1 6 "Average Difference" CB 66 1.108 0.061 1.115 19600 36 1 6 "Average Difference" HN 64 0.473 0.054 0.473 19600 37 1 7 "Average Difference" N 64 2.914 -1.179 2.686 19600 38 1 7 "Average Difference" HA 66 0.418 0.293 0.301 19600 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19600 40 1 7 "Average Difference" CA 66 1.526 -0.521 1.446 19600 41 1 7 "Average Difference" CB 66 1.077 0.104 1.080 19600 42 1 7 "Average Difference" HN 64 0.510 0.065 0.509 19600 43 1 8 "Average Difference" N 64 2.929 -1.107 2.733 19600 44 1 8 "Average Difference" HA 66 0.430 0.303 0.307 19600 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19600 46 1 8 "Average Difference" CA 66 1.512 -0.576 1.409 19600 47 1 8 "Average Difference" CB 66 1.028 0.100 1.031 19600 48 1 8 "Average Difference" HN 64 0.504 0.046 0.506 19600 49 1 9 "Average Difference" N 64 2.985 -1.108 2.794 19600 50 1 9 "Average Difference" HA 66 0.427 0.309 0.298 19600 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19600 52 1 9 "Average Difference" CA 66 1.509 -0.476 1.443 19600 53 1 9 "Average Difference" CB 66 1.038 0.063 1.044 19600 54 1 9 "Average Difference" HN 64 0.517 0.045 0.520 19600 55 1 10 "Average Difference" N 64 2.987 -1.128 2.788 19600 56 1 10 "Average Difference" HA 66 0.419 0.285 0.310 19600 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19600 58 1 10 "Average Difference" CA 66 1.478 -0.497 1.403 19600 59 1 10 "Average Difference" CB 66 1.026 0.038 1.034 19600 60 1 10 "Average Difference" HN 64 0.450 0.049 0.450 19600 61 1 11 "Average Difference" N 64 3.034 -1.119 2.842 19600 62 1 11 "Average Difference" HA 66 0.436 0.309 0.309 19600 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19600 64 1 11 "Average Difference" CA 66 1.404 -0.513 1.317 19600 65 1 11 "Average Difference" CB 66 1.091 0.076 1.097 19600 66 1 11 "Average Difference" HN 64 0.501 0.063 0.501 19600 67 1 12 "Average Difference" N 64 2.983 -0.960 2.847 19600 68 1 12 "Average Difference" HA 66 0.409 0.292 0.289 19600 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19600 70 1 12 "Average Difference" CA 66 1.430 -0.439 1.372 19600 71 1 12 "Average Difference" CB 66 1.027 0.025 1.034 19600 72 1 12 "Average Difference" HN 64 0.533 0.025 0.536 19600 73 1 13 "Average Difference" N 64 3.048 -1.221 2.815 19600 74 1 13 "Average Difference" HA 66 0.418 0.300 0.293 19600 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19600 76 1 13 "Average Difference" CA 66 1.460 -0.483 1.389 19600 77 1 13 "Average Difference" CB 66 1.069 0.096 1.073 19600 78 1 13 "Average Difference" HN 64 0.452 0.024 0.455 19600 79 1 14 "Average Difference" N 64 3.014 -1.217 2.779 19600 80 1 14 "Average Difference" HA 66 0.411 0.282 0.302 19600 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19600 82 1 14 "Average Difference" CA 66 1.428 -0.558 1.325 19600 83 1 14 "Average Difference" CB 66 1.032 0.074 1.037 19600 84 1 14 "Average Difference" HN 64 0.492 0.011 0.496 19600 85 1 15 "Average Difference" N 64 3.126 -1.339 2.847 19600 86 1 15 "Average Difference" HA 66 0.421 0.310 0.288 19600 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19600 88 1 15 "Average Difference" CA 66 1.555 -0.605 1.444 19600 89 1 15 "Average Difference" CB 66 1.079 0.115 1.081 19600 90 1 15 "Average Difference" HN 64 0.516 0.022 0.519 19600 91 1 16 "Average Difference" N 64 2.861 -1.038 2.688 19600 92 1 16 "Average Difference" HA 66 0.445 0.315 0.317 19600 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19600 94 1 16 "Average Difference" CA 66 1.483 -0.551 1.388 19600 95 1 16 "Average Difference" CB 66 1.229 0.121 1.232 19600 96 1 16 "Average Difference" HN 64 0.498 0.048 0.499 19600 97 1 17 "Average Difference" N 64 3.045 -1.274 2.787 19600 98 1 17 "Average Difference" HA 66 0.431 0.300 0.312 19600 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19600 100 1 17 "Average Difference" CA 66 1.455 -0.497 1.378 19600 101 1 17 "Average Difference" CB 66 0.999 -0.022 1.006 19600 102 1 17 "Average Difference" HN 64 0.522 0.016 0.526 19600 103 1 18 "Average Difference" N 64 3.043 -1.094 2.862 19600 104 1 18 "Average Difference" HA 66 0.439 0.308 0.314 19600 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19600 106 1 18 "Average Difference" CA 66 1.463 -0.519 1.378 19600 107 1 18 "Average Difference" CB 66 1.139 0.059 1.146 19600 108 1 18 "Average Difference" HN 64 0.528 0.074 0.527 19600 109 1 19 "Average Difference" N 64 3.070 -1.236 2.832 19600 110 1 19 "Average Difference" HA 66 0.417 0.278 0.313 19600 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19600 112 1 19 "Average Difference" CA 66 1.542 -0.427 1.493 19600 113 1 19 "Average Difference" CB 66 1.040 0.114 1.042 19600 114 1 19 "Average Difference" HN 64 0.493 0.058 0.493 19600 115 1 20 "Average Difference" N 64 3.060 -1.250 2.815 19600 116 1 20 "Average Difference" HA 66 0.427 0.312 0.294 19600 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19600 118 1 20 "Average Difference" CA 66 1.503 -0.489 1.432 19600 119 1 20 "Average Difference" CB 66 1.093 0.093 1.098 19600 120 1 20 "Average Difference" HN 64 0.528 0.062 0.528 19600 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 19600 _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 4.234 4.234 4.521 -0.287 19600 2 1 . 1 1 2 2 PRO CA C 2 63.216 63.216 62.957 0.259 19600 3 1 . 1 1 2 2 PRO CB C 2 32.566 32.566 30.847 1.719 19600 4 1 . 1 1 3 3 ARG N N 3 122.101 122.101 120.170 1.931 19600 5 1 . 1 1 3 3 ARG HA H 3 4.051 4.051 4.487 -0.436 19600 6 1 . 1 1 3 3 ARG CA C 3 56.508 56.508 56.002 0.506 19600 7 1 . 1 1 3 3 ARG CB C 3 30.742 30.742 32.138 -1.396 19600 8 1 . 1 1 3 3 ARG H H 3 8.377 8.377 8.345 0.032 19600 9 1 . 1 1 4 4 LYS N N 4 123.421 123.421 122.741 0.680 19600 10 1 . 1 1 4 4 LYS HA H 4 4.020 4.020 4.302 -0.282 19600 11 1 . 1 1 4 4 LYS CA C 4 56.582 56.582 57.246 -0.664 19600 12 1 . 1 1 4 4 LYS CB C 4 33.202 33.202 33.135 0.067 19600 13 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.589 -0.311 19600 14 1 . 1 1 5 5 ASN N N 5 120.133 120.133 115.930 4.203 19600 15 1 . 1 1 5 5 ASN HA H 5 4.420 4.420 4.770 -0.350 19600 16 1 . 1 1 5 5 ASN CA C 5 53.372 53.372 53.507 -0.135 19600 17 1 . 1 1 5 5 ASN CB C 5 38.896 38.896 39.677 -0.781 19600 18 1 . 1 1 5 5 ASN H H 5 8.318 8.318 8.191 0.127 19600 19 1 . 1 1 6 6 ARG N N 6 121.990 121.990 118.893 3.097 19600 20 1 . 1 1 6 6 ARG HA H 6 4.039 4.039 4.445 -0.406 19600 21 1 . 1 1 6 6 ARG CA C 6 56.539 56.539 56.094 0.445 19600 22 1 . 1 1 6 6 ARG CB C 6 30.729 30.729 30.955 -0.226 19600 23 1 . 1 1 6 6 ARG H H 6 8.185 8.185 8.198 -0.013 19600 24 1 . 1 1 7 7 ARG N N 7 122.520 122.520 120.637 1.883 19600 25 1 . 1 1 7 7 ARG HA H 7 4.010 4.010 4.358 -0.348 19600 26 1 . 1 1 7 7 ARG CA C 7 56.473 56.473 56.631 -0.158 19600 27 1 . 1 1 7 7 ARG CB C 7 30.901 30.901 30.826 0.075 19600 28 1 . 1 1 7 7 ARG H H 7 8.237 8.237 8.465 -0.228 19600 29 1 . 1 1 8 8 GLU N N 8 121.543 121.543 119.623 1.920 19600 30 1 . 1 1 8 8 GLU HA H 8 4.019 4.019 4.217 -0.198 19600 31 1 . 1 1 8 8 GLU CA C 8 56.546 56.546 55.618 0.928 19600 32 1 . 1 1 8 8 GLU CB C 8 30.559 30.559 30.802 -0.243 19600 33 1 . 1 1 8 8 GLU H H 8 7.971 7.971 8.411 -0.440 19600 34 1 . 1 1 9 9 ARG N N 9 122.730 122.730 119.847 2.883 19600 35 1 . 1 1 9 9 ARG HA H 9 4.151 4.151 4.106 0.045 19600 36 1 . 1 1 9 9 ARG CA C 9 56.395 56.395 58.243 -1.848 19600 37 1 . 1 1 9 9 ARG CB C 9 30.953 30.953 30.489 0.464 19600 38 1 . 1 1 9 9 ARG H H 9 8.290 8.290 8.481 -0.191 19600 39 1 . 1 1 10 10 THR N N 10 116.410 116.410 107.007 9.403 19600 40 1 . 1 1 10 10 THR HA H 10 4.073 4.073 4.343 -0.270 19600 41 1 . 1 1 10 10 THR CA C 10 62.073 62.073 61.043 1.030 19600 42 1 . 1 1 10 10 THR CB C 10 70.102 70.102 69.545 0.557 19600 43 1 . 1 1 10 10 THR H H 10 8.132 8.132 7.386 0.746 19600 44 1 . 1 1 11 11 THR N N 11 117.607 117.607 114.447 3.160 19600 45 1 . 1 1 11 11 THR HA H 11 4.101 4.101 4.042 0.059 19600 46 1 . 1 1 11 11 THR CA C 11 61.581 61.581 64.509 -2.928 19600 47 1 . 1 1 11 11 THR CB C 11 70.193 70.193 68.978 1.215 19600 48 1 . 1 1 11 11 THR H H 11 7.868 7.868 8.296 -0.428 19600 49 1 . 1 1 12 12 TYR N N 12 122.200 122.200 116.281 5.919 19600 50 1 . 1 1 12 12 TYR HA H 12 4.598 4.598 4.776 -0.178 19600 51 1 . 1 1 12 12 TYR CA C 12 57.101 57.101 56.511 0.590 19600 52 1 . 1 1 12 12 TYR CB C 12 40.517 40.517 39.859 0.658 19600 53 1 . 1 1 12 12 TYR H H 12 8.053 8.053 7.375 0.678 19600 54 1 . 1 1 13 13 SER N N 13 119.084 119.084 117.766 1.318 19600 55 1 . 1 1 13 13 SER HA H 13 4.340 4.340 4.905 -0.565 19600 56 1 . 1 1 13 13 SER CA C 13 56.906 56.906 56.332 0.573 19600 57 1 . 1 1 13 13 SER CB C 13 65.860 65.860 65.595 0.265 19600 58 1 . 1 1 13 13 SER H H 13 8.976 8.976 8.354 0.622 19600 59 1 . 1 1 14 14 ARG N N 14 121.463 121.463 121.502 -0.039 19600 60 1 . 1 1 14 14 ARG HA H 14 3.750 3.750 4.321 -0.571 19600 61 1 . 1 1 14 14 ARG CA C 14 59.978 59.978 58.258 1.720 19600 62 1 . 1 1 14 14 ARG CB C 14 29.445 29.445 30.206 -0.761 19600 63 1 . 1 1 14 14 ARG H H 14 8.824 8.824 8.853 -0.029 19600 64 1 . 1 1 15 15 GLN N N 15 117.760 117.760 119.193 -1.433 19600 65 1 . 1 1 15 15 GLN HA H 15 3.817 3.817 3.934 -0.117 19600 66 1 . 1 1 15 15 GLN CA C 15 59.606 59.606 59.697 -0.091 19600 67 1 . 1 1 15 15 GLN CB C 15 28.230 28.230 27.835 0.394 19600 68 1 . 1 1 15 15 GLN H H 15 8.341 8.341 8.219 0.122 19600 69 1 . 1 1 16 16 GLN N N 16 117.933 117.933 116.698 1.235 19600 70 1 . 1 1 16 16 GLN HA H 16 3.502 3.502 4.028 -0.526 19600 71 1 . 1 1 16 16 GLN CA C 16 59.533 59.533 58.501 1.032 19600 72 1 . 1 1 16 16 GLN CB C 16 28.430 28.430 28.092 0.338 19600 73 1 . 1 1 16 16 GLN H H 16 7.487 7.487 8.441 -0.954 19600 74 1 . 1 1 17 17 LEU N N 17 117.025 117.025 116.199 0.826 19600 75 1 . 1 1 17 17 LEU HA H 17 3.372 3.372 4.386 -1.014 19600 76 1 . 1 1 17 17 LEU CA C 17 57.761 57.761 55.798 1.963 19600 77 1 . 1 1 17 17 LEU CB C 17 41.492 41.492 41.962 -0.470 19600 78 1 . 1 1 17 17 LEU H H 17 8.070 8.070 7.594 0.476 19600 79 1 . 1 1 18 18 GLU N N 18 118.469 118.469 121.313 -2.844 19600 80 1 . 1 1 18 18 GLU HA H 18 3.730 3.730 4.148 -0.418 19600 81 1 . 1 1 18 18 GLU CA C 18 59.767 59.767 59.473 0.294 19600 82 1 . 1 1 18 18 GLU CB C 18 29.551 29.551 29.585 -0.034 19600 83 1 . 1 1 18 18 GLU H H 18 7.857 7.857 7.966 -0.109 19600 84 1 . 1 1 19 19 ILE N N 19 121.154 121.154 118.794 2.360 19600 85 1 . 1 1 19 19 ILE HA H 19 3.420 3.420 3.750 -0.330 19600 86 1 . 1 1 19 19 ILE CA C 19 64.537 64.537 65.822 -1.285 19600 87 1 . 1 1 19 19 ILE CB C 19 37.691 37.691 37.587 0.104 19600 88 1 . 1 1 19 19 ILE H H 19 7.076 7.076 7.698 -0.622 19600 89 1 . 1 1 20 20 LEU N N 20 122.911 122.911 117.391 5.520 19600 90 1 . 1 1 20 20 LEU HA H 20 3.324 3.324 4.563 -1.239 19600 91 1 . 1 1 20 20 LEU CA C 20 58.717 58.717 56.700 2.017 19600 92 1 . 1 1 20 20 LEU CB C 20 38.562 38.562 40.210 -1.648 19600 93 1 . 1 1 20 20 LEU H H 20 7.600 7.600 7.338 0.262 19600 94 1 . 1 1 21 21 GLU N N 21 118.448 118.448 119.861 -1.413 19600 95 1 . 1 1 21 21 GLU HA H 21 4.012 4.012 4.122 -0.110 19600 96 1 . 1 1 21 21 GLU CA C 21 58.928 58.928 59.423 -0.495 19600 97 1 . 1 1 21 21 GLU CB C 21 29.141 29.141 29.721 -0.580 19600 98 1 . 1 1 21 21 GLU H H 21 8.354 8.354 8.091 0.263 19600 99 1 . 1 1 22 22 THR N N 22 116.336 116.336 113.371 2.965 19600 100 1 . 1 1 22 22 THR HA H 22 3.745 3.745 4.302 -0.557 19600 101 1 . 1 1 22 22 THR CA C 22 67.433 67.433 65.777 1.656 19600 102 1 . 1 1 22 22 THR CB C 22 68.490 68.490 69.529 -1.039 19600 103 1 . 1 1 22 22 THR H H 22 7.703 7.703 8.445 -0.742 19600 104 1 . 1 1 23 23 LEU N N 23 123.532 123.532 123.127 0.405 19600 105 1 . 1 1 23 23 LEU HA H 23 4.199 4.199 4.170 0.029 19600 106 1 . 1 1 23 23 LEU CA C 23 58.295 58.295 58.109 0.186 19600 107 1 . 1 1 23 23 LEU CB C 23 40.837 40.837 42.062 -1.225 19600 108 1 . 1 1 23 23 LEU H H 23 7.501 7.501 7.686 -0.185 19600 109 1 . 1 1 24 24 PHE N N 24 120.756 120.756 119.031 1.725 19600 110 1 . 1 1 24 24 PHE HA H 24 4.435 4.435 4.242 0.193 19600 111 1 . 1 1 24 24 PHE CA C 24 61.332 61.332 60.820 0.512 19600 112 1 . 1 1 24 24 PHE CB C 24 38.978 38.978 38.926 0.052 19600 113 1 . 1 1 24 24 PHE H H 24 8.708 8.708 8.262 0.446 19600 114 1 . 1 1 25 25 ASN N N 25 113.604 113.604 115.929 -2.325 19600 115 1 . 1 1 25 25 ASN HA H 25 4.074 4.074 4.332 -0.258 19600 116 1 . 1 1 25 25 ASN CA C 25 55.349 55.349 54.976 0.373 19600 117 1 . 1 1 25 25 ASN CB C 25 38.800 38.800 39.014 -0.214 19600 118 1 . 1 1 25 25 ASN H H 25 7.827 7.827 7.825 0.002 19600 119 1 . 1 1 26 26 GLU N N 26 120.985 120.985 119.637 1.348 19600 120 1 . 1 1 26 26 GLU HA H 26 3.971 3.971 4.130 -0.159 19600 121 1 . 1 1 26 26 GLU CA C 26 58.501 58.501 58.442 0.059 19600 122 1 . 1 1 26 26 GLU CB C 26 30.088 30.088 30.342 -0.254 19600 123 1 . 1 1 26 26 GLU H H 26 7.532 7.532 8.024 -0.492 19600 124 1 . 1 1 27 27 THR N N 27 115.986 115.986 108.199 7.787 19600 125 1 . 1 1 27 27 THR HA H 27 4.085 4.085 4.319 -0.234 19600 126 1 . 1 1 27 27 THR CA C 27 59.365 59.365 61.348 -1.983 19600 127 1 . 1 1 27 27 THR CB C 27 69.151 69.151 69.566 -0.415 19600 128 1 . 1 1 27 27 THR H H 27 8.719 8.719 7.971 0.748 19600 129 1 . 1 1 28 28 GLN N N 28 122.144 122.144 120.037 2.107 19600 130 1 . 1 1 28 28 GLN HA H 28 3.654 3.654 4.478 -0.824 19600 131 1 . 1 1 28 28 GLN CA C 28 57.220 57.220 55.562 1.658 19600 132 1 . 1 1 28 28 GLN CB C 28 27.060 27.060 28.513 -1.453 19600 133 1 . 1 1 28 28 GLN H H 28 7.963 7.963 8.154 -0.191 19600 134 1 . 1 1 29 29 TYR N N 29 114.355 114.355 120.260 -5.905 19600 135 1 . 1 1 29 29 TYR HA H 29 4.429 4.429 4.879 -0.450 19600 136 1 . 1 1 29 29 TYR CA C 29 55.457 55.457 53.514 1.943 19600 137 1 . 1 1 29 29 TYR CB C 29 38.997 38.997 37.950 1.047 19600 138 1 . 1 1 29 29 TYR H H 29 7.680 7.680 7.704 -0.024 19600 139 1 . 1 1 30 30 PRO HA H 30 4.074 4.074 4.341 -0.267 19600 140 1 . 1 1 30 30 PRO CA C 30 62.403 62.403 63.054 -0.651 19600 141 1 . 1 1 30 30 PRO CB C 30 31.686 31.686 30.872 0.814 19600 142 1 . 1 1 31 31 ASP N N 31 123.957 123.957 122.533 1.424 19600 143 1 . 1 1 31 31 ASP HA H 31 4.191 4.191 4.837 -0.645 19600 144 1 . 1 1 31 31 ASP CA C 31 52.813 52.813 52.614 0.199 19600 145 1 . 1 1 31 31 ASP CB C 31 41.087 41.087 44.303 -3.216 19600 146 1 . 1 1 31 31 ASP H H 31 8.496 8.496 7.964 0.532 19600 147 1 . 1 1 32 32 VAL N N 32 117.950 117.950 119.113 -1.163 19600 148 1 . 1 1 32 32 VAL HA H 32 3.198 3.198 3.718 -0.520 19600 149 1 . 1 1 32 32 VAL CA C 32 66.250 66.250 65.879 0.371 19600 150 1 . 1 1 32 32 VAL CB C 32 31.493 31.493 31.576 -0.082 19600 151 1 . 1 1 32 32 VAL H H 32 8.162 8.162 8.395 -0.233 19600 152 1 . 1 1 33 33 PHE N N 33 120.199 120.199 119.163 1.036 19600 153 1 . 1 1 33 33 PHE HA H 33 4.036 4.036 4.200 -0.164 19600 154 1 . 1 1 33 33 PHE CA C 33 60.514 60.514 61.013 -0.499 19600 155 1 . 1 1 33 33 PHE CB C 33 37.933 37.933 38.431 -0.498 19600 156 1 . 1 1 33 33 PHE H H 33 6.841 6.841 8.421 -1.580 19600 157 1 . 1 1 34 34 ALA N N 34 123.742 123.742 121.677 2.065 19600 158 1 . 1 1 34 34 ALA HA H 34 3.882 3.882 4.062 -0.180 19600 159 1 . 1 1 34 34 ALA CA C 34 55.142 55.142 54.284 0.858 19600 160 1 . 1 1 34 34 ALA CB C 34 18.559 18.559 19.206 -0.647 19600 161 1 . 1 1 34 34 ALA H H 34 8.139 8.139 8.046 0.093 19600 162 1 . 1 1 35 35 ARG N N 35 116.197 116.197 118.543 -2.346 19600 163 1 . 1 1 35 35 ARG HA H 35 3.554 3.554 3.828 -0.274 19600 164 1 . 1 1 35 35 ARG CA C 35 60.747 60.747 59.226 1.521 19600 165 1 . 1 1 35 35 ARG CB C 35 31.170 31.170 29.593 1.577 19600 166 1 . 1 1 35 35 ARG H H 35 8.281 8.281 7.927 0.354 19600 167 1 . 1 1 36 36 GLU N N 36 119.133 119.133 118.167 0.966 19600 168 1 . 1 1 36 36 GLU HA H 36 3.697 3.697 3.996 -0.299 19600 169 1 . 1 1 36 36 GLU CA C 36 59.710 59.710 58.729 0.981 19600 170 1 . 1 1 36 36 GLU CB C 36 29.450 29.450 29.475 -0.025 19600 171 1 . 1 1 36 36 GLU H H 36 8.382 8.382 8.385 -0.003 19600 172 1 . 1 1 37 37 ARG N N 37 119.597 119.597 118.894 0.703 19600 173 1 . 1 1 37 37 ARG HA H 37 3.912 3.912 4.150 -0.238 19600 174 1 . 1 1 37 37 ARG CA C 37 59.693 59.693 58.828 0.865 19600 175 1 . 1 1 37 37 ARG CB C 37 30.003 30.003 30.705 -0.702 19600 176 1 . 1 1 37 37 ARG H H 37 7.707 7.707 7.557 0.150 19600 177 1 . 1 1 38 38 VAL N N 38 119.099 119.099 117.939 1.160 19600 178 1 . 1 1 38 38 VAL HA H 38 3.775 3.775 3.707 0.068 19600 179 1 . 1 1 38 38 VAL CA C 38 65.819 65.819 65.565 0.254 19600 180 1 . 1 1 38 38 VAL CB C 38 31.643 31.643 30.748 0.895 19600 181 1 . 1 1 38 38 VAL H H 38 7.630 7.630 8.090 -0.460 19600 182 1 . 1 1 39 39 ALA N N 39 124.624 124.624 122.626 1.998 19600 183 1 . 1 1 39 39 ALA HA H 39 3.691 3.691 3.948 -0.257 19600 184 1 . 1 1 39 39 ALA CA C 39 56.414 56.414 55.025 1.389 19600 185 1 . 1 1 39 39 ALA CB C 39 18.250 18.250 18.249 0.001 19600 186 1 . 1 1 39 39 ALA H H 39 8.196 8.196 7.962 0.234 19600 187 1 . 1 1 40 40 ASP N N 40 115.786 115.786 116.050 -0.264 19600 188 1 . 1 1 40 40 ASP HA H 40 4.197 4.197 4.604 -0.407 19600 189 1 . 1 1 40 40 ASP CA C 40 56.815 56.815 55.889 0.926 19600 190 1 . 1 1 40 40 ASP CB C 40 41.307 41.307 41.132 0.175 19600 191 1 . 1 1 40 40 ASP H H 40 7.510 7.510 8.136 -0.626 19600 192 1 . 1 1 41 41 GLN N N 41 118.952 118.952 118.176 0.776 19600 193 1 . 1 1 41 41 GLN HA H 41 3.835 3.835 4.214 -0.379 19600 194 1 . 1 1 41 41 GLN CA C 41 59.319 59.319 57.857 1.462 19600 195 1 . 1 1 41 41 GLN CB C 41 29.565 29.565 29.511 0.054 19600 196 1 . 1 1 41 41 GLN H H 41 7.643 7.643 7.846 -0.203 19600 197 1 . 1 1 42 42 ILE N N 42 108.381 108.381 111.841 -3.460 19600 198 1 . 1 1 42 42 ILE HA H 42 4.392 4.392 4.355 0.037 19600 199 1 . 1 1 42 42 ILE CA C 42 60.792 60.792 61.023 -0.231 19600 200 1 . 1 1 42 42 ILE CB C 42 38.442 38.442 38.796 -0.354 19600 201 1 . 1 1 42 42 ILE H H 42 8.076 8.076 7.620 0.456 19600 202 1 . 1 1 43 43 ARG N N 43 119.055 119.055 118.621 0.434 19600 203 1 . 1 1 43 43 ARG HA H 43 3.738 3.738 4.044 -0.306 19600 204 1 . 1 1 43 43 ARG CA C 43 56.823 56.823 56.476 0.347 19600 205 1 . 1 1 43 43 ARG CB C 43 26.066 26.066 27.694 -1.628 19600 206 1 . 1 1 43 43 ARG H H 43 7.588 7.588 7.547 0.041 19600 207 1 . 1 1 44 44 LEU N N 44 119.135 119.135 119.174 -0.039 19600 208 1 . 1 1 44 44 LEU HA H 44 4.568 4.568 4.660 -0.092 19600 209 1 . 1 1 44 44 LEU CA C 44 52.996 52.996 53.221 -0.225 19600 210 1 . 1 1 44 44 LEU CB C 44 47.600 47.600 45.189 2.412 19600 211 1 . 1 1 44 44 LEU H H 44 7.648 7.648 8.328 -0.680 19600 212 1 . 1 1 45 45 GLN N N 45 118.784 118.784 120.187 -1.403 19600 213 1 . 1 1 45 45 GLN HA H 45 4.065 4.065 4.258 -0.193 19600 214 1 . 1 1 45 45 GLN CA C 45 56.327 56.327 56.538 -0.211 19600 215 1 . 1 1 45 45 GLN CB C 45 29.802 29.802 29.495 0.307 19600 216 1 . 1 1 45 45 GLN H H 45 8.107 8.107 8.395 -0.288 19600 217 1 . 1 1 46 46 GLU N N 46 125.074 125.074 123.980 1.094 19600 218 1 . 1 1 46 46 GLU HA H 46 3.543 3.543 4.049 -0.506 19600 219 1 . 1 1 46 46 GLU CA C 46 61.163 61.163 59.232 1.931 19600 220 1 . 1 1 46 46 GLU CB C 46 28.636 28.636 29.395 -0.759 19600 221 1 . 1 1 46 46 GLU H H 46 9.097 9.097 8.884 0.213 19600 222 1 . 1 1 47 47 SER N N 47 113.706 113.706 114.201 -0.495 19600 223 1 . 1 1 47 47 SER HA H 47 3.828 3.828 4.344 -0.516 19600 224 1 . 1 1 47 47 SER CA C 47 61.464 61.464 59.943 1.521 19600 225 1 . 1 1 47 47 SER CB C 47 61.867 61.867 63.132 -1.265 19600 226 1 . 1 1 47 47 SER H H 47 8.533 8.533 8.109 0.424 19600 227 1 . 1 1 48 48 ARG N N 48 121.795 121.795 121.337 0.458 19600 228 1 . 1 1 48 48 ARG HA H 48 4.048 4.048 4.227 -0.179 19600 229 1 . 1 1 48 48 ARG CA C 48 58.156 58.156 58.072 0.084 19600 230 1 . 1 1 48 48 ARG CB C 48 29.475 29.475 29.847 -0.372 19600 231 1 . 1 1 48 48 ARG H H 48 7.153 7.153 7.905 -0.752 19600 232 1 . 1 1 49 49 ILE N N 49 121.647 121.647 121.225 0.422 19600 233 1 . 1 1 49 49 ILE HA H 49 3.635 3.635 3.838 -0.203 19600 234 1 . 1 1 49 49 ILE CA C 49 64.513 64.513 64.363 0.150 19600 235 1 . 1 1 49 49 ILE CB C 49 36.823 36.823 37.808 -0.985 19600 236 1 . 1 1 49 49 ILE H H 49 7.613 7.613 8.179 -0.566 19600 237 1 . 1 1 50 50 GLN N N 50 118.579 118.579 118.494 0.085 19600 238 1 . 1 1 50 50 GLN HA H 50 4.133 4.133 4.118 0.015 19600 239 1 . 1 1 50 50 GLN CA C 50 60.473 60.473 59.074 1.399 19600 240 1 . 1 1 50 50 GLN CB C 50 29.032 29.032 28.483 0.549 19600 241 1 . 1 1 50 50 GLN H H 50 8.051 8.051 8.181 -0.130 19600 242 1 . 1 1 51 51 VAL N N 51 120.580 120.580 114.930 5.650 19600 243 1 . 1 1 51 51 VAL HA H 51 3.443 3.443 3.916 -0.473 19600 244 1 . 1 1 51 51 VAL CA C 51 67.087 67.087 65.401 1.686 19600 245 1 . 1 1 51 51 VAL CB C 51 32.278 32.278 31.323 0.955 19600 246 1 . 1 1 51 51 VAL H H 51 7.372 7.372 7.797 -0.425 19600 247 1 . 1 1 52 52 TRP N N 52 121.485 121.485 120.532 0.953 19600 248 1 . 1 1 52 52 TRP HA H 52 3.774 3.774 4.600 -0.826 19600 249 1 . 1 1 52 52 TRP CA C 52 63.502 63.502 59.166 4.336 19600 250 1 . 1 1 52 52 TRP CB C 52 28.388 28.388 29.729 -1.341 19600 251 1 . 1 1 52 52 TRP H H 52 8.135 8.135 7.296 0.839 19600 252 1 . 1 1 53 53 PHE N N 53 118.122 118.122 121.129 -3.007 19600 253 1 . 1 1 53 53 PHE HA H 53 3.421 3.421 4.195 -0.774 19600 254 1 . 1 1 53 53 PHE CA C 53 63.987 63.987 60.074 3.913 19600 255 1 . 1 1 53 53 PHE CB C 53 39.352 39.352 38.941 0.411 19600 256 1 . 1 1 53 53 PHE H H 53 8.764 8.764 8.473 0.291 19600 257 1 . 1 1 54 54 LYS N N 54 120.838 120.838 118.449 2.389 19600 258 1 . 1 1 54 54 LYS HA H 54 3.715 3.715 3.838 -0.123 19600 259 1 . 1 1 54 54 LYS CA C 54 60.677 60.677 57.226 3.451 19600 260 1 . 1 1 54 54 LYS CB C 54 32.191 32.191 32.401 -0.210 19600 261 1 . 1 1 54 54 LYS H H 54 7.947 7.947 7.588 0.359 19600 262 1 . 1 1 55 55 ASN N N 55 118.986 118.986 119.642 -0.656 19600 263 1 . 1 1 55 55 ASN HA H 55 4.121 4.121 4.346 -0.225 19600 264 1 . 1 1 55 55 ASN CA C 55 55.695 55.695 56.818 -1.123 19600 265 1 . 1 1 55 55 ASN CB C 55 37.740 37.740 38.419 -0.678 19600 266 1 . 1 1 55 55 ASN H H 55 7.953 7.953 8.384 -0.431 19600 267 1 . 1 1 56 56 ARG N N 56 124.991 124.991 119.445 5.546 19600 268 1 . 1 1 56 56 ARG HA H 56 3.282 3.282 4.120 -0.838 19600 269 1 . 1 1 56 56 ARG CA C 56 56.848 56.848 57.884 -1.036 19600 270 1 . 1 1 56 56 ARG CB C 56 27.672 27.672 30.246 -2.574 19600 271 1 . 1 1 56 56 ARG H H 56 8.263 8.263 8.216 0.047 19600 272 1 . 1 1 57 57 ARG N N 57 120.173 120.173 119.753 0.420 19600 273 1 . 1 1 57 57 ARG HA H 57 3.789 3.789 3.450 0.339 19600 274 1 . 1 1 57 57 ARG CA C 57 61.179 61.179 58.269 2.910 19600 275 1 . 1 1 57 57 ARG CB C 57 31.525 31.525 29.221 2.304 19600 276 1 . 1 1 57 57 ARG H H 57 8.343 8.343 7.604 0.739 19600 277 1 . 1 1 58 58 ALA N N 58 121.602 121.602 119.510 2.092 19600 278 1 . 1 1 58 58 ALA HA H 58 3.911 3.911 4.472 -0.561 19600 279 1 . 1 1 58 58 ALA CA C 58 55.341 55.341 53.785 1.556 19600 280 1 . 1 1 58 58 ALA CB C 58 17.776 17.776 19.102 -1.325 19600 281 1 . 1 1 58 58 ALA H H 58 7.179 7.179 8.030 -0.851 19600 282 1 . 1 1 59 59 LYS N N 59 119.515 119.515 120.743 -1.228 19600 283 1 . 1 1 59 59 LYS HA H 59 3.730 3.730 3.988 -0.258 19600 284 1 . 1 1 59 59 LYS CA C 59 59.325 59.325 58.297 1.028 19600 285 1 . 1 1 59 59 LYS CB C 59 32.573 32.573 31.726 0.847 19600 286 1 . 1 1 59 59 LYS H H 59 7.463 7.463 7.651 -0.188 19600 287 1 . 1 1 60 60 TYR N N 60 120.152 120.152 118.820 1.332 19600 288 1 . 1 1 60 60 TYR HA H 60 4.160 4.160 4.104 0.056 19600 289 1 . 1 1 60 60 TYR CA C 60 61.014 61.014 59.969 1.045 19600 290 1 . 1 1 60 60 TYR CB C 60 38.810 38.810 37.404 1.405 19600 291 1 . 1 1 60 60 TYR H H 60 7.874 7.874 7.864 0.010 19600 292 1 . 1 1 61 61 ARG N N 61 118.122 118.122 118.228 -0.106 19600 293 1 . 1 1 61 61 ARG HA H 61 3.831 3.831 3.557 0.274 19600 294 1 . 1 1 61 61 ARG CA C 61 59.199 59.199 58.008 1.191 19600 295 1 . 1 1 61 61 ARG CB C 61 30.310 30.310 29.761 0.549 19600 296 1 . 1 1 61 61 ARG H H 61 7.943 7.943 7.526 0.417 19600 297 1 . 1 1 62 62 LEU N N 62 119.191 119.191 120.739 -1.548 19600 298 1 . 1 1 62 62 LEU HA H 62 3.930 3.930 4.019 -0.089 19600 299 1 . 1 1 62 62 LEU CA C 62 57.121 57.121 57.622 -0.501 19600 300 1 . 1 1 62 62 LEU CB C 62 42.109 42.109 41.711 0.398 19600 301 1 . 1 1 62 62 LEU H H 62 7.407 7.407 7.578 -0.171 19600 302 1 . 1 1 63 63 GLN N N 63 118.201 118.201 116.781 1.420 19600 303 1 . 1 1 63 63 GLN HA H 63 3.873 3.873 3.994 -0.121 19600 304 1 . 1 1 63 63 GLN CA C 63 57.338 57.338 58.408 -1.070 19600 305 1 . 1 1 63 63 GLN CB C 63 28.871 28.871 28.045 0.826 19600 306 1 . 1 1 63 63 GLN H H 63 7.676 7.676 8.245 -0.569 19600 307 1 . 1 1 64 64 GLU N N 64 120.152 120.152 121.005 -0.853 19600 308 1 . 1 1 64 64 GLU HA H 64 3.800 3.800 3.984 -0.184 19600 309 1 . 1 1 64 64 GLU CA C 64 57.503 57.503 59.030 -1.527 19600 310 1 . 1 1 64 64 GLU CB C 64 30.187 30.187 29.484 0.703 19600 311 1 . 1 1 64 64 GLU H H 64 7.808 7.808 7.684 0.124 19600 312 1 . 1 1 65 65 LYS N N 65 120.364 120.364 115.956 4.408 19600 313 1 . 1 1 65 65 LYS HA H 65 3.986 3.986 4.178 -0.192 19600 314 1 . 1 1 65 65 LYS CA C 65 56.871 56.871 57.662 -0.791 19600 315 1 . 1 1 65 65 LYS CB C 65 32.473 32.473 32.387 0.086 19600 316 1 . 1 1 65 65 LYS H H 65 7.695 7.695 7.530 0.165 19600 317 1 . 1 1 66 66 GLN N N 66 120.265 120.265 119.404 0.861 19600 318 1 . 1 1 66 66 GLN HA H 66 4.028 4.028 4.142 -0.114 19600 319 1 . 1 1 66 66 GLN CA C 66 55.796 55.796 57.717 -1.921 19600 320 1 . 1 1 66 66 GLN CB C 66 29.299 29.299 29.235 0.064 19600 321 1 . 1 1 66 66 GLN H H 66 7.906 7.906 7.701 0.205 19600 322 1 . 1 1 67 67 LYS N N 67 124.357 124.357 119.425 4.932 19600 323 1 . 1 1 67 67 LYS HA H 67 4.316 4.316 4.423 -0.107 19600 324 1 . 1 1 67 67 LYS CA C 67 54.596 54.596 54.916 -0.320 19600 325 1 . 1 1 67 67 LYS CB C 67 32.457 32.457 32.213 0.244 19600 326 1 . 1 1 67 67 LYS H H 67 7.963 7.963 7.822 0.141 19600 stop_ save_